USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=47 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+ -179:sc= 1.43 (180deg=1.01) USER MOD Set 1.2: A 130 SER OG : rot 160:sc= 0.385 USER MOD Set 2.1: A 86 THR OG1 : rot -77:sc= -0.887 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -4.17! C(o=-5.1!,f=-8.4!) USER MOD Set 3.1: A 68 HIS : no HD1:sc= -0.59! C(o=-0.59!,f=-6.3!) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 43 LYS NZ :NH3+ -164:sc= 0.832 (180deg=0) USER MOD Set 4.2: A 58 MET CE :methyl -100:sc= -1.27 (180deg=-0.218) USER MOD Set 4.3: A 60 ASN : amide:sc= -0.106 K(o=-5.2,f=-19!) USER MOD Set 4.4: A 67 THR OG1 : rot -150:sc= -2.29! USER MOD Set 4.5: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 4.6: A 127 MET CE :methyl -178:sc= -2.33! (180deg=-2.03) USER MOD Set 5.1: A 65 LYS NZ :NH3+ -157:sc= 1.28 (180deg=0) USER MOD Set 5.2: A 85 SER OG : rot 180:sc= 0.958 USER MOD Set 6.1: A 22 TYR OH : rot -140:sc= 0.455 USER MOD Set 6.2: A 129 MET CE :methyl -131:sc= -1.06 (180deg=-7.11!) USER MOD Single : A 2 THR OG1 : rot -24:sc= 0.778 USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0225 (180deg=-0.196) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.092) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= -0.643 (180deg=-2.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -155:sc= -1.78 (180deg=-3.51!) USER MOD Single : A 34 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.24) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0199) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 1.79 (180deg=1.63) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.814 USER MOD Single : A 62 THR OG1 : rot 170:sc= 0.33 USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.315 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : +bothHN:sc= -0.307! C(o=-0.31!,f=-8.5!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.116 F(o=-1.5!,f=-0.12) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.853 F(o=-1.9,f=-0.85) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 0.0207 (180deg=0.000719) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.1) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 101 THR OG1 : rot 89:sc= 1.2 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0.129 K(o=0.13,f=-3.8!) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 2.09 (180deg=1.38) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 173:sc=-0.00243 (180deg=-0.0726) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 31:sc= 1.21 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 140 TYR OH : rot -130:sc= -0.565 USER MOD Single : A 141 LYS NZ :NH3+ -164:sc= 0.516 (180deg=0.391) USER MOD Single : A 142 LYS NZ :NH3+ 164:sc= -0.0359 (180deg=-0.249) USER MOD Single : A 143 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 1.783 -18.114 1.131 1.00 0.86 N ATOM 211 CA THR A 2 1.366 -17.432 2.335 1.00 0.81 C ATOM 212 C THR A 2 2.193 -16.177 2.574 1.00 0.66 C ATOM 213 O THR A 2 3.420 -16.204 2.478 1.00 0.64 O ATOM 214 CB THR A 2 1.491 -18.366 3.541 1.00 0.86 C ATOM 215 OG1 THR A 2 2.354 -19.467 3.218 1.00 0.99 O ATOM 216 CG2 THR A 2 0.125 -18.875 3.965 1.00 0.92 C ATOM 0 HA THR A 2 0.324 -17.138 2.207 1.00 0.81 H new ATOM 0 HB THR A 2 1.922 -17.809 4.373 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.362 -19.602 2.247 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.234 -19.537 4.824 1.00 0.92 H new ATOM 0 HG22 THR A 2 -0.510 -18.031 4.236 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.331 -19.422 3.140 1.00 0.92 H new ATOM 224 N LEU A 3 1.508 -15.078 2.859 1.00 0.59 N ATOM 225 CA LEU A 3 2.168 -13.809 3.144 1.00 0.50 C ATOM 226 C LEU A 3 3.073 -13.910 4.366 1.00 0.49 C ATOM 227 O LEU A 3 2.633 -14.325 5.440 1.00 0.53 O ATOM 228 CB LEU A 3 1.138 -12.704 3.386 1.00 0.49 C ATOM 229 CG LEU A 3 1.075 -11.609 2.317 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.320 -10.410 2.851 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.462 -11.186 1.875 1.00 0.49 C ATOM 0 H LEU A 3 0.490 -15.039 2.899 1.00 0.59 H new ATOM 0 HA LEU A 3 2.775 -13.565 2.272 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.153 -13.163 3.468 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.353 -12.236 4.347 1.00 0.49 H new ATOM 0 HG LEU A 3 0.553 -12.015 1.451 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.279 -9.635 2.085 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.693 -10.708 3.120 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.830 -10.022 3.733 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.381 -10.408 1.116 1.00 0.49 H new ATOM 0 HD22 LEU A 3 3.015 -10.801 2.732 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.989 -12.045 1.459 1.00 0.49 H new ATOM 243 N PRO A 4 4.355 -13.546 4.210 1.00 0.50 N ATOM 244 CA PRO A 4 5.280 -13.423 5.336 1.00 0.54 C ATOM 245 C PRO A 4 4.750 -12.432 6.367 1.00 0.47 C ATOM 246 O PRO A 4 4.322 -11.331 6.014 1.00 0.42 O ATOM 247 CB PRO A 4 6.565 -12.888 4.697 1.00 0.60 C ATOM 248 CG PRO A 4 6.469 -13.267 3.262 1.00 0.61 C ATOM 249 CD PRO A 4 5.004 -13.245 2.923 1.00 0.52 C ATOM 0 HA PRO A 4 5.425 -14.366 5.863 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.644 -11.807 4.815 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.449 -13.325 5.162 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.025 -12.568 2.636 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.894 -14.256 3.091 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.695 -12.275 2.534 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.755 -13.987 2.164 1.00 0.52 H new ATOM 257 N ASP A 5 4.781 -12.827 7.639 1.00 0.51 N ATOM 258 CA ASP A 5 4.198 -12.021 8.713 1.00 0.51 C ATOM 259 C ASP A 5 4.878 -10.662 8.833 1.00 0.45 C ATOM 260 O ASP A 5 4.324 -9.743 9.433 1.00 0.44 O ATOM 261 CB ASP A 5 4.266 -12.759 10.055 1.00 0.63 C ATOM 262 CG ASP A 5 5.659 -12.787 10.649 1.00 1.50 C ATOM 263 OD1 ASP A 5 5.901 -12.074 11.647 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.516 -13.526 10.128 1.00 2.19 O ATOM 0 H ASP A 5 5.204 -13.701 7.952 1.00 0.51 H new ATOM 0 HA ASP A 5 3.152 -11.856 8.454 1.00 0.51 H new ATOM 0 HB2 ASP A 5 3.586 -12.281 10.760 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.915 -13.782 9.918 1.00 0.63 H new ATOM 269 N LYS A 6 6.071 -10.533 8.263 1.00 0.45 N ATOM 270 CA LYS A 6 6.765 -9.250 8.241 1.00 0.45 C ATOM 271 C LYS A 6 5.984 -8.202 7.451 1.00 0.38 C ATOM 272 O LYS A 6 6.119 -7.008 7.707 1.00 0.42 O ATOM 273 CB LYS A 6 8.174 -9.397 7.660 1.00 0.56 C ATOM 274 CG LYS A 6 9.162 -10.075 8.597 1.00 1.10 C ATOM 275 CD LYS A 6 9.313 -9.307 9.902 1.00 1.64 C ATOM 276 CE LYS A 6 10.431 -9.875 10.763 1.00 2.01 C ATOM 277 NZ LYS A 6 11.770 -9.672 10.151 1.00 2.53 N ATOM 0 H LYS A 6 6.576 -11.296 7.812 1.00 0.45 H new ATOM 0 HA LYS A 6 6.843 -8.911 9.274 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.116 -9.969 6.734 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.554 -8.409 7.401 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.826 -11.090 8.808 1.00 1.10 H new ATOM 0 HG3 LYS A 6 10.132 -10.156 8.107 1.00 1.10 H new ATOM 0 HD2 LYS A 6 9.517 -8.258 9.686 1.00 1.64 H new ATOM 0 HD3 LYS A 6 8.374 -9.341 10.455 1.00 1.64 H new ATOM 0 HE2 LYS A 6 10.407 -9.402 11.745 1.00 2.01 H new ATOM 0 HE3 LYS A 6 10.262 -10.941 10.918 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.508 -9.853 10.862 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.890 -10.328 9.353 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 11.851 -8.693 9.810 1.00 2.53 H new ATOM 291 N PHE A 7 5.162 -8.634 6.500 1.00 0.36 N ATOM 292 CA PHE A 7 4.360 -7.696 5.727 1.00 0.35 C ATOM 293 C PHE A 7 2.999 -7.517 6.378 1.00 0.32 C ATOM 294 O PHE A 7 2.208 -6.681 5.953 1.00 0.35 O ATOM 295 CB PHE A 7 4.168 -8.185 4.286 1.00 0.39 C ATOM 296 CG PHE A 7 5.431 -8.251 3.475 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.198 -7.115 3.268 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.846 -9.447 2.910 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.354 -7.170 2.515 1.00 0.60 C ATOM 300 CE2 PHE A 7 7.003 -9.507 2.156 1.00 0.54 C ATOM 301 CZ PHE A 7 7.757 -8.368 1.960 1.00 0.57 C ATOM 0 H PHE A 7 5.035 -9.615 6.249 1.00 0.36 H new ATOM 0 HA PHE A 7 4.890 -6.744 5.705 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.715 -9.176 4.310 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.463 -7.524 3.783 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.888 -6.176 3.701 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.259 -10.341 3.061 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.942 -6.277 2.360 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.317 -10.444 1.721 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.662 -8.414 1.373 1.00 0.57 H new ATOM 311 N LEU A 8 2.739 -8.300 7.417 1.00 0.30 N ATOM 312 CA LEU A 8 1.440 -8.309 8.059 1.00 0.29 C ATOM 313 C LEU A 8 1.441 -7.446 9.312 1.00 0.29 C ATOM 314 O LEU A 8 2.485 -7.207 9.924 1.00 0.33 O ATOM 315 CB LEU A 8 1.036 -9.743 8.402 1.00 0.34 C ATOM 316 CG LEU A 8 0.875 -10.665 7.192 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.573 -12.085 7.627 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.218 -10.143 6.279 1.00 0.35 C ATOM 0 H LEU A 8 3.418 -8.939 7.832 1.00 0.30 H new ATOM 0 HA LEU A 8 0.713 -7.890 7.364 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.786 -10.168 9.069 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.096 -9.720 8.953 1.00 0.34 H new ATOM 0 HG LEU A 8 1.816 -10.676 6.642 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.463 -12.719 6.747 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.390 -12.458 8.244 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.352 -12.100 8.203 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.324 -10.807 5.421 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.160 -10.103 6.825 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.043 -9.143 5.933 1.00 0.35 H new ATOM 330 N GLY A 9 0.260 -6.988 9.681 1.00 0.32 N ATOM 331 CA GLY A 9 0.109 -6.143 10.839 1.00 0.33 C ATOM 332 C GLY A 9 -0.456 -4.790 10.473 1.00 0.31 C ATOM 333 O GLY A 9 -0.621 -4.478 9.292 1.00 0.52 O ATOM 0 H GLY A 9 -0.610 -7.191 9.189 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.548 -6.629 11.561 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.076 -6.014 11.324 1.00 0.33 H new ATOM 337 N THR A 10 -0.779 -3.997 11.473 1.00 0.34 N ATOM 338 CA THR A 10 -1.259 -2.654 11.244 1.00 0.35 C ATOM 339 C THR A 10 -0.114 -1.664 11.420 1.00 0.32 C ATOM 340 O THR A 10 0.551 -1.651 12.454 1.00 0.40 O ATOM 341 CB THR A 10 -2.404 -2.315 12.209 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.327 -3.414 12.271 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.137 -1.068 11.749 1.00 0.99 C ATOM 0 H THR A 10 -0.717 -4.262 12.456 1.00 0.34 H new ATOM 0 HA THR A 10 -1.640 -2.587 10.225 1.00 0.35 H new ATOM 0 HB THR A 10 -1.982 -2.132 13.197 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.055 -3.195 12.889 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.945 -0.843 12.445 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.442 -0.229 11.716 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.551 -1.235 10.755 1.00 0.99 H new ATOM 351 N PHE A 11 0.133 -0.868 10.395 1.00 0.27 N ATOM 352 CA PHE A 11 1.259 0.054 10.381 1.00 0.27 C ATOM 353 C PHE A 11 0.793 1.509 10.381 1.00 0.28 C ATOM 354 O PHE A 11 -0.100 1.875 9.611 1.00 0.32 O ATOM 355 CB PHE A 11 2.106 -0.193 9.126 1.00 0.31 C ATOM 356 CG PHE A 11 2.581 -1.611 8.961 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.705 -2.064 9.633 1.00 0.42 C ATOM 358 CD2 PHE A 11 1.910 -2.487 8.122 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.148 -3.364 9.474 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.348 -3.787 7.960 1.00 0.43 C ATOM 361 CZ PHE A 11 3.467 -4.226 8.635 1.00 0.44 C ATOM 0 H PHE A 11 -0.438 -0.841 9.550 1.00 0.27 H new ATOM 0 HA PHE A 11 1.846 -0.122 11.282 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.522 0.085 8.249 1.00 0.31 H new ATOM 0 HB3 PHE A 11 2.974 0.466 9.153 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.241 -1.394 10.289 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.034 -2.149 7.588 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.025 -3.705 10.004 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.814 -4.459 7.305 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.811 -5.242 8.508 1.00 0.44 H new ATOM 371 N LYS A 12 1.384 2.348 11.244 1.00 0.29 N ATOM 372 CA LYS A 12 1.167 3.788 11.145 1.00 0.33 C ATOM 373 C LYS A 12 2.253 4.415 10.260 1.00 0.27 C ATOM 374 O LYS A 12 2.946 3.709 9.529 1.00 0.69 O ATOM 375 CB LYS A 12 1.149 4.438 12.531 1.00 0.48 C ATOM 376 CG LYS A 12 2.453 4.322 13.286 1.00 0.78 C ATOM 377 CD LYS A 12 2.420 5.106 14.584 1.00 1.28 C ATOM 378 CE LYS A 12 1.457 4.495 15.587 1.00 1.72 C ATOM 379 NZ LYS A 12 1.446 5.241 16.872 1.00 2.19 N ATOM 0 H LYS A 12 2.002 2.057 12.001 1.00 0.29 H new ATOM 0 HA LYS A 12 0.193 3.965 10.688 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.898 5.493 12.422 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.357 3.981 13.124 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.658 3.273 13.499 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.269 4.686 12.662 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.421 5.139 15.014 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.127 6.136 14.379 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.452 4.485 15.165 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.736 3.458 15.772 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.776 4.792 17.529 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 2.399 5.230 17.288 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 1.155 6.225 16.700 1.00 2.19 H new ATOM 393 N LEU A 13 2.435 5.726 10.356 1.00 0.60 N ATOM 394 CA LEU A 13 3.324 6.445 9.449 1.00 0.50 C ATOM 395 C LEU A 13 4.239 7.343 10.271 1.00 0.46 C ATOM 396 O LEU A 13 3.758 8.145 11.072 1.00 0.52 O ATOM 397 CB LEU A 13 2.492 7.277 8.454 1.00 0.52 C ATOM 398 CG LEU A 13 3.238 7.844 7.230 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.247 8.370 6.207 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.189 8.963 7.622 1.00 1.04 C ATOM 0 H LEU A 13 1.979 6.315 11.053 1.00 0.60 H new ATOM 0 HA LEU A 13 3.930 5.741 8.879 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.671 6.656 8.094 1.00 0.52 H new ATOM 0 HB3 LEU A 13 2.047 8.111 8.997 1.00 0.52 H new ATOM 0 HG LEU A 13 3.820 7.029 6.799 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.787 8.767 5.348 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.595 7.559 5.882 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.646 9.161 6.656 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.697 9.337 6.733 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.626 9.773 8.087 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.927 8.583 8.328 1.00 1.04 H new ATOM 412 N GLU A 14 5.549 7.201 10.096 1.00 0.45 N ATOM 413 CA GLU A 14 6.500 8.013 10.844 1.00 0.48 C ATOM 414 C GLU A 14 6.998 9.189 10.007 1.00 0.45 C ATOM 415 O GLU A 14 6.949 10.339 10.449 1.00 0.49 O ATOM 416 CB GLU A 14 7.685 7.163 11.309 1.00 0.55 C ATOM 417 CG GLU A 14 8.628 7.903 12.244 1.00 0.67 C ATOM 418 CD GLU A 14 9.782 7.046 12.718 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.775 6.915 11.976 1.00 2.08 O ATOM 420 OE2 GLU A 14 9.709 6.516 13.848 1.00 1.56 O ATOM 0 H GLU A 14 5.973 6.537 9.448 1.00 0.45 H new ATOM 0 HA GLU A 14 5.983 8.408 11.719 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.309 6.273 11.814 1.00 0.55 H new ATOM 0 HB3 GLU A 14 8.243 6.823 10.437 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.021 8.782 11.734 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.068 8.260 13.109 1.00 0.67 H new ATOM 427 N ARG A 15 7.470 8.908 8.795 1.00 0.42 N ATOM 428 CA ARG A 15 8.016 9.954 7.938 1.00 0.44 C ATOM 429 C ARG A 15 7.766 9.642 6.465 1.00 0.37 C ATOM 430 O ARG A 15 7.146 8.632 6.128 1.00 0.38 O ATOM 431 CB ARG A 15 9.515 10.133 8.184 1.00 0.51 C ATOM 432 CG ARG A 15 10.358 8.953 7.736 1.00 0.53 C ATOM 433 CD ARG A 15 11.839 9.254 7.864 1.00 0.77 C ATOM 434 NE ARG A 15 12.243 10.405 7.052 1.00 1.68 N ATOM 435 CZ ARG A 15 12.863 11.482 7.540 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.142 11.568 8.838 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.198 12.481 6.729 1.00 3.36 N ATOM 0 H ARG A 15 7.485 7.973 8.388 1.00 0.42 H new ATOM 0 HA ARG A 15 7.505 10.884 8.188 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.854 11.028 7.662 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.681 10.302 9.248 1.00 0.51 H new ATOM 0 HG2 ARG A 15 10.110 8.077 8.336 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.123 8.707 6.700 1.00 0.53 H new ATOM 0 HD2 ARG A 15 12.080 9.447 8.909 1.00 0.77 H new ATOM 0 HD3 ARG A 15 12.413 8.378 7.561 1.00 0.77 H new ATOM 0 HE ARG A 15 12.038 10.382 6.053 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.882 10.808 9.467 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.616 12.394 9.204 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.981 12.425 5.734 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.672 13.304 7.102 1.00 3.36 H new ATOM 451 N ASP A 16 8.286 10.498 5.596 1.00 0.38 N ATOM 452 CA ASP A 16 7.998 10.428 4.168 1.00 0.43 C ATOM 453 C ASP A 16 9.239 10.842 3.376 1.00 0.39 C ATOM 454 O ASP A 16 10.176 11.394 3.954 1.00 0.52 O ATOM 455 CB ASP A 16 6.820 11.354 3.853 1.00 0.66 C ATOM 456 CG ASP A 16 6.396 11.296 2.407 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.524 10.468 2.077 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.934 12.077 1.600 1.00 0.72 O ATOM 0 H ASP A 16 8.916 11.257 5.858 1.00 0.38 H new ATOM 0 HA ASP A 16 7.734 9.409 3.886 1.00 0.43 H new ATOM 0 HB2 ASP A 16 5.974 11.085 4.485 1.00 0.66 H new ATOM 0 HB3 ASP A 16 7.093 12.379 4.105 1.00 0.66 H new ATOM 463 N GLU A 17 9.262 10.573 2.070 1.00 0.36 N ATOM 464 CA GLU A 17 10.414 10.924 1.245 1.00 0.38 C ATOM 465 C GLU A 17 10.041 10.999 -0.240 1.00 0.40 C ATOM 466 O GLU A 17 9.652 9.994 -0.835 1.00 0.83 O ATOM 467 CB GLU A 17 11.531 9.894 1.434 1.00 0.48 C ATOM 468 CG GLU A 17 12.838 10.287 0.765 1.00 1.18 C ATOM 469 CD GLU A 17 13.872 9.184 0.814 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.043 8.479 -0.201 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.515 9.013 1.874 1.00 2.13 O ATOM 0 H GLU A 17 8.502 10.117 1.566 1.00 0.36 H new ATOM 0 HA GLU A 17 10.759 11.908 1.564 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.706 9.752 2.500 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.201 8.935 1.034 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.644 10.552 -0.274 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.238 11.177 1.252 1.00 1.18 H new ATOM 478 N ASN A 18 10.157 12.202 -0.817 1.00 0.34 N ATOM 479 CA ASN A 18 10.037 12.417 -2.272 1.00 0.30 C ATOM 480 C ASN A 18 8.606 12.186 -2.772 1.00 0.28 C ATOM 481 O ASN A 18 8.372 11.911 -3.958 1.00 0.27 O ATOM 482 CB ASN A 18 11.013 11.502 -3.024 1.00 0.32 C ATOM 483 CG ASN A 18 11.547 12.131 -4.295 1.00 0.42 C ATOM 484 OD1 ASN A 18 12.587 12.785 -4.280 1.00 0.76 O ATOM 485 ND2 ASN A 18 10.850 11.936 -5.401 1.00 0.66 N ATOM 0 H ASN A 18 10.337 13.057 -0.291 1.00 0.34 H new ATOM 0 HA ASN A 18 10.289 13.459 -2.470 1.00 0.30 H new ATOM 0 HB2 ASN A 18 11.848 11.252 -2.369 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.510 10.567 -3.270 1.00 0.32 H new ATOM 0 HD21 ASN A 18 11.171 12.335 -6.283 1.00 0.66 H new ATOM 0 HD22 ASN A 18 9.991 11.387 -5.372 1.00 0.66 H new ATOM 492 N PHE A 19 7.653 12.337 -1.871 1.00 0.30 N ATOM 493 CA PHE A 19 6.266 12.030 -2.180 1.00 0.31 C ATOM 494 C PHE A 19 5.642 13.120 -3.043 1.00 0.31 C ATOM 495 O PHE A 19 4.855 12.827 -3.943 1.00 0.32 O ATOM 496 CB PHE A 19 5.461 11.845 -0.901 1.00 0.37 C ATOM 497 CG PHE A 19 4.169 11.114 -1.105 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.158 9.847 -1.662 1.00 0.45 C ATOM 499 CD2 PHE A 19 2.969 11.687 -0.727 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.973 9.164 -1.840 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.779 11.010 -0.902 1.00 0.48 C ATOM 502 CZ PHE A 19 1.782 9.746 -1.458 1.00 0.44 C ATOM 0 H PHE A 19 7.812 12.670 -0.920 1.00 0.30 H new ATOM 0 HA PHE A 19 6.248 11.097 -2.744 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.066 11.300 -0.176 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.251 12.824 -0.469 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.089 9.388 -1.961 1.00 0.45 H new ATOM 0 HD2 PHE A 19 2.963 12.675 -0.290 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.978 8.176 -2.277 1.00 0.49 H new ATOM 0 HE2 PHE A 19 0.847 11.468 -0.605 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.852 9.213 -1.594 1.00 0.44 H new ATOM 512 N ASP A 20 5.994 14.373 -2.774 1.00 0.33 N ATOM 513 CA ASP A 20 5.468 15.493 -3.549 1.00 0.37 C ATOM 514 C ASP A 20 5.805 15.327 -5.028 1.00 0.33 C ATOM 515 O ASP A 20 4.930 15.432 -5.885 1.00 0.33 O ATOM 516 CB ASP A 20 6.000 16.837 -3.021 1.00 0.46 C ATOM 517 CG ASP A 20 7.467 17.084 -3.341 1.00 1.08 C ATOM 518 OD1 ASP A 20 7.771 18.078 -4.038 1.00 1.22 O ATOM 519 OD2 ASP A 20 8.318 16.280 -2.907 1.00 2.04 O ATOM 0 H ASP A 20 6.638 14.639 -2.029 1.00 0.33 H new ATOM 0 HA ASP A 20 4.384 15.496 -3.438 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.404 17.645 -3.445 1.00 0.46 H new ATOM 0 HB3 ASP A 20 5.862 16.873 -1.940 1.00 0.46 H new ATOM 524 N GLU A 21 7.070 15.039 -5.317 1.00 0.34 N ATOM 525 CA GLU A 21 7.513 14.839 -6.688 1.00 0.35 C ATOM 526 C GLU A 21 6.797 13.659 -7.327 1.00 0.31 C ATOM 527 O GLU A 21 6.454 13.706 -8.509 1.00 0.34 O ATOM 528 CB GLU A 21 9.025 14.647 -6.744 1.00 0.41 C ATOM 529 CG GLU A 21 9.790 15.871 -6.286 1.00 0.51 C ATOM 530 CD GLU A 21 11.283 15.730 -6.449 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.802 16.071 -7.531 1.00 1.65 O ATOM 532 OE2 GLU A 21 11.952 15.296 -5.491 1.00 1.79 O ATOM 0 H GLU A 21 7.806 14.939 -4.617 1.00 0.34 H new ATOM 0 HA GLU A 21 7.260 15.734 -7.257 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.302 13.797 -6.120 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.318 14.402 -7.765 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.449 16.738 -6.852 1.00 0.51 H new ATOM 0 HG3 GLU A 21 9.561 16.064 -5.238 1.00 0.51 H new ATOM 539 N TYR A 22 6.558 12.606 -6.547 1.00 0.29 N ATOM 540 CA TYR A 22 5.768 11.485 -7.033 1.00 0.28 C ATOM 541 C TYR A 22 4.372 11.953 -7.438 1.00 0.30 C ATOM 542 O TYR A 22 3.829 11.512 -8.449 1.00 0.33 O ATOM 543 CB TYR A 22 5.666 10.391 -5.971 1.00 0.30 C ATOM 544 CG TYR A 22 4.747 9.255 -6.366 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.461 9.157 -5.846 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.170 8.276 -7.256 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.626 8.114 -6.201 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.342 7.234 -7.615 1.00 0.44 C ATOM 549 CZ TYR A 22 3.045 7.180 -7.097 1.00 0.50 C ATOM 550 OH TYR A 22 2.249 6.109 -7.440 1.00 0.57 O ATOM 0 H TYR A 22 6.896 12.509 -5.590 1.00 0.29 H new ATOM 0 HA TYR A 22 6.270 11.071 -7.908 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.661 9.992 -5.774 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.309 10.831 -5.040 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.109 9.908 -5.154 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.164 8.332 -7.674 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.640 8.041 -5.767 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.692 6.467 -8.290 1.00 0.44 H new ATOM 0 HH TYR A 22 2.801 5.303 -7.516 1.00 0.57 H new ATOM 560 N LEU A 23 3.807 12.869 -6.658 1.00 0.28 N ATOM 561 CA LEU A 23 2.464 13.369 -6.928 1.00 0.30 C ATOM 562 C LEU A 23 2.457 14.218 -8.191 1.00 0.34 C ATOM 563 O LEU A 23 1.519 14.159 -8.987 1.00 0.37 O ATOM 564 CB LEU A 23 1.944 14.184 -5.741 1.00 0.30 C ATOM 565 CG LEU A 23 1.797 13.404 -4.434 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.275 14.305 -3.332 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.875 12.213 -4.626 1.00 0.32 C ATOM 0 H LEU A 23 4.255 13.278 -5.838 1.00 0.28 H new ATOM 0 HA LEU A 23 1.804 12.514 -7.077 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.620 15.022 -5.572 1.00 0.30 H new ATOM 0 HB3 LEU A 23 0.974 14.605 -6.006 1.00 0.30 H new ATOM 0 HG LEU A 23 2.780 13.036 -4.142 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.177 13.732 -2.410 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.971 15.129 -3.175 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.301 14.702 -3.618 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.782 11.670 -3.686 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.108 12.561 -4.943 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.288 11.552 -5.388 1.00 0.32 H new ATOM 579 N LYS A 24 3.520 14.989 -8.379 1.00 0.34 N ATOM 580 CA LYS A 24 3.670 15.817 -9.569 1.00 0.39 C ATOM 581 C LYS A 24 3.752 14.931 -10.805 1.00 0.40 C ATOM 582 O LYS A 24 3.057 15.154 -11.796 1.00 0.44 O ATOM 583 CB LYS A 24 4.932 16.678 -9.460 1.00 0.41 C ATOM 584 CG LYS A 24 4.942 17.602 -8.251 1.00 0.45 C ATOM 585 CD LYS A 24 6.283 18.309 -8.065 1.00 0.55 C ATOM 586 CE LYS A 24 6.480 19.473 -9.034 1.00 1.35 C ATOM 587 NZ LYS A 24 6.770 19.030 -10.423 1.00 1.88 N ATOM 0 H LYS A 24 4.295 15.058 -7.719 1.00 0.34 H new ATOM 0 HA LYS A 24 2.804 16.474 -9.654 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.803 16.025 -9.414 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.031 17.278 -10.365 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.154 18.347 -8.361 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.712 17.025 -7.355 1.00 0.45 H new ATOM 0 HD2 LYS A 24 6.355 18.678 -7.042 1.00 0.55 H new ATOM 0 HD3 LYS A 24 7.090 17.589 -8.201 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.583 20.093 -9.036 1.00 1.35 H new ATOM 0 HE3 LYS A 24 7.299 20.099 -8.680 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.545 19.602 -10.815 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 7.048 18.028 -10.417 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 5.920 19.150 -11.010 1.00 1.88 H new ATOM 601 N ALA A 25 4.607 13.922 -10.720 1.00 0.40 N ATOM 602 CA ALA A 25 4.762 12.939 -11.784 1.00 0.43 C ATOM 603 C ALA A 25 3.445 12.214 -12.060 1.00 0.43 C ATOM 604 O ALA A 25 3.100 11.956 -13.210 1.00 0.44 O ATOM 605 CB ALA A 25 5.842 11.940 -11.414 1.00 0.43 C ATOM 0 H ALA A 25 5.211 13.761 -9.914 1.00 0.40 H new ATOM 0 HA ALA A 25 5.055 13.464 -12.693 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.951 11.209 -12.215 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.787 12.463 -11.269 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.565 11.429 -10.492 1.00 0.43 H new ATOM 611 N ARG A 26 2.716 11.909 -10.991 1.00 0.43 N ATOM 612 CA ARG A 26 1.436 11.205 -11.091 1.00 0.45 C ATOM 613 C ARG A 26 0.370 12.054 -11.777 1.00 0.47 C ATOM 614 O ARG A 26 -0.668 11.540 -12.192 1.00 0.51 O ATOM 615 CB ARG A 26 0.944 10.789 -9.706 1.00 0.48 C ATOM 616 CG ARG A 26 1.469 9.440 -9.244 1.00 0.85 C ATOM 617 CD ARG A 26 0.871 8.301 -10.056 1.00 0.72 C ATOM 618 NE ARG A 26 -0.590 8.332 -10.038 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.365 7.675 -10.898 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.825 6.884 -11.821 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.681 7.806 -10.827 1.00 1.06 N ATOM 0 H ARG A 26 2.991 12.140 -10.036 1.00 0.43 H new ATOM 0 HA ARG A 26 1.606 10.318 -11.701 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.239 11.549 -8.983 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.146 10.761 -9.712 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.555 9.421 -9.334 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.234 9.299 -8.189 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.223 8.364 -11.086 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.220 7.348 -9.658 1.00 0.72 H new ATOM 0 HE ARG A 26 -1.046 8.894 -9.319 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.188 6.778 -11.873 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.424 6.383 -12.477 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -3.096 8.408 -10.116 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.280 7.305 -11.484 1.00 1.06 H new ATOM 635 N GLY A 27 0.630 13.345 -11.897 1.00 0.46 N ATOM 636 CA GLY A 27 -0.317 14.226 -12.542 1.00 0.49 C ATOM 637 C GLY A 27 -1.227 14.924 -11.553 1.00 0.50 C ATOM 638 O GLY A 27 -2.304 15.397 -11.918 1.00 0.62 O ATOM 0 H GLY A 27 1.479 13.798 -11.560 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.224 14.973 -13.123 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.921 13.652 -13.245 1.00 0.49 H new ATOM 642 N TYR A 28 -0.805 14.987 -10.300 1.00 0.48 N ATOM 643 CA TYR A 28 -1.571 15.687 -9.281 1.00 0.53 C ATOM 644 C TYR A 28 -1.138 17.140 -9.212 1.00 0.56 C ATOM 645 O TYR A 28 0.051 17.441 -9.062 1.00 0.54 O ATOM 646 CB TYR A 28 -1.395 15.030 -7.911 1.00 0.51 C ATOM 647 CG TYR A 28 -2.031 13.663 -7.799 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.249 12.521 -7.680 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.411 13.514 -7.823 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.826 11.268 -7.582 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.996 12.267 -7.729 1.00 0.63 C ATOM 652 CZ TYR A 28 -3.200 11.150 -7.578 1.00 0.60 C ATOM 653 OH TYR A 28 -3.780 9.908 -7.501 1.00 0.64 O ATOM 0 H TYR A 28 0.060 14.564 -9.965 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.625 15.634 -9.554 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.330 14.943 -7.695 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.822 15.682 -7.149 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.173 12.613 -7.664 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.038 14.389 -7.917 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.205 10.388 -7.509 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -5.070 12.166 -7.773 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.756 10.001 -7.508 1.00 0.64 H new ATOM 663 N GLY A 29 -2.102 18.037 -9.337 1.00 0.68 N ATOM 664 CA GLY A 29 -1.816 19.451 -9.259 1.00 0.80 C ATOM 665 C GLY A 29 -1.594 19.900 -7.834 1.00 0.88 C ATOM 666 O GLY A 29 -1.556 19.076 -6.918 1.00 1.54 O ATOM 0 H GLY A 29 -3.084 17.808 -9.492 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.930 19.676 -9.853 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.643 20.014 -9.693 1.00 0.80 H new ATOM 670 N TRP A 30 -1.471 21.206 -7.643 1.00 0.54 N ATOM 671 CA TRP A 30 -1.175 21.774 -6.333 1.00 0.56 C ATOM 672 C TRP A 30 -2.168 21.303 -5.267 1.00 0.54 C ATOM 673 O TRP A 30 -1.760 20.907 -4.178 1.00 0.52 O ATOM 674 CB TRP A 30 -1.171 23.307 -6.405 1.00 0.65 C ATOM 675 CG TRP A 30 -1.130 23.952 -5.057 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.025 24.204 -4.297 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.253 24.407 -4.298 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.399 24.778 -3.106 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.761 24.912 -3.087 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.629 24.429 -4.528 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.600 25.430 -2.108 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.458 24.946 -3.558 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.941 25.439 -2.359 1.00 1.18 C ATOM 0 H TRP A 30 -1.572 21.898 -8.385 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.185 21.422 -6.043 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.310 23.636 -6.986 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.061 23.643 -6.936 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.992 23.985 -4.588 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.235 25.059 -2.358 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.037 24.047 -5.452 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -2.204 25.813 -1.179 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.524 24.970 -3.727 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.616 25.836 -1.615 1.00 1.18 H new ATOM 694 N ILE A 31 -3.459 21.325 -5.591 1.00 0.60 N ATOM 695 CA ILE A 31 -4.498 21.003 -4.614 1.00 0.63 C ATOM 696 C ILE A 31 -4.284 19.613 -4.076 1.00 0.53 C ATOM 697 O ILE A 31 -4.154 19.401 -2.872 1.00 0.51 O ATOM 698 CB ILE A 31 -5.929 21.046 -5.197 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.275 22.425 -5.734 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.942 20.611 -4.152 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.618 22.715 -7.055 1.00 2.16 C ATOM 0 H ILE A 31 -3.810 21.561 -6.519 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.416 21.764 -3.838 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.966 20.349 -6.034 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -7.356 22.506 -5.845 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -5.971 23.180 -5.008 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.944 20.647 -4.579 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.720 19.593 -3.832 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.889 21.280 -3.293 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -5.900 23.713 -7.391 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -4.535 22.663 -6.942 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.942 21.979 -7.792 1.00 2.16 H new ATOM 713 N MET A 32 -4.234 18.668 -4.990 1.00 0.48 N ATOM 714 CA MET A 32 -4.117 17.289 -4.629 1.00 0.43 C ATOM 715 C MET A 32 -2.772 17.007 -3.983 1.00 0.38 C ATOM 716 O MET A 32 -2.662 16.163 -3.100 1.00 0.39 O ATOM 717 CB MET A 32 -4.348 16.413 -5.850 1.00 0.48 C ATOM 718 CG MET A 32 -5.800 16.410 -6.282 1.00 0.55 C ATOM 719 SD MET A 32 -6.525 14.769 -6.237 1.00 0.97 S ATOM 720 CE MET A 32 -6.381 14.447 -4.486 1.00 0.48 C ATOM 0 H MET A 32 -4.274 18.841 -5.994 1.00 0.48 H new ATOM 0 HA MET A 32 -4.882 17.052 -3.890 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.726 16.767 -6.672 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.034 15.393 -5.629 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.371 17.074 -5.633 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.876 16.810 -7.293 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.352 13.371 -4.315 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.464 14.899 -4.107 1.00 0.48 H new ATOM 0 HE3 MET A 32 -7.238 14.874 -3.966 1.00 0.48 H new ATOM 730 N ARG A 33 -1.760 17.751 -4.399 1.00 0.39 N ATOM 731 CA ARG A 33 -0.428 17.609 -3.841 1.00 0.41 C ATOM 732 C ARG A 33 -0.402 18.121 -2.401 1.00 0.45 C ATOM 733 O ARG A 33 0.453 17.737 -1.604 1.00 0.60 O ATOM 734 CB ARG A 33 0.573 18.363 -4.714 1.00 0.49 C ATOM 735 CG ARG A 33 2.020 18.135 -4.332 1.00 0.90 C ATOM 736 CD ARG A 33 2.955 18.592 -5.438 1.00 0.71 C ATOM 737 NE ARG A 33 2.854 20.028 -5.684 1.00 0.77 N ATOM 738 CZ ARG A 33 2.581 20.570 -6.871 1.00 0.99 C ATOM 739 NH1 ARG A 33 2.304 19.800 -7.918 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.557 21.890 -7.000 1.00 1.03 N ATOM 0 H ARG A 33 -1.838 18.463 -5.125 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.149 16.555 -3.825 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.431 18.064 -5.752 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.357 19.430 -4.657 1.00 0.49 H new ATOM 0 HG2 ARG A 33 2.247 18.676 -3.413 1.00 0.90 H new ATOM 0 HG3 ARG A 33 2.183 17.077 -4.127 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.982 18.342 -5.171 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.723 18.050 -6.355 1.00 0.71 H new ATOM 0 HE ARG A 33 3.002 20.658 -4.896 1.00 0.77 H new ATOM 0 HH11 ARG A 33 2.299 18.785 -7.817 1.00 1.87 H new ATOM 0 HH12 ARG A 33 2.096 20.224 -8.822 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.747 22.485 -6.193 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.349 22.310 -7.906 1.00 1.03 H new ATOM 754 N GLN A 34 -1.359 18.977 -2.077 1.00 0.41 N ATOM 755 CA GLN A 34 -1.518 19.480 -0.721 1.00 0.46 C ATOM 756 C GLN A 34 -2.319 18.502 0.129 1.00 0.47 C ATOM 757 O GLN A 34 -2.170 18.459 1.347 1.00 0.58 O ATOM 758 CB GLN A 34 -2.226 20.833 -0.728 1.00 0.51 C ATOM 759 CG GLN A 34 -1.395 21.972 -1.290 1.00 0.80 C ATOM 760 CD GLN A 34 -0.081 22.152 -0.556 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.001 22.897 0.419 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.959 21.484 -1.028 1.00 1.97 N ATOM 0 H GLN A 34 -2.043 19.340 -2.741 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.522 19.595 -0.293 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.143 20.747 -1.311 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.519 21.082 0.292 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.195 21.785 -2.345 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -1.968 22.897 -1.234 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.849 20.876 -1.840 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.871 21.577 -0.580 1.00 1.97 H new ATOM 771 N VAL A 35 -3.184 17.732 -0.510 1.00 0.42 N ATOM 772 CA VAL A 35 -4.026 16.783 0.200 1.00 0.42 C ATOM 773 C VAL A 35 -3.294 15.462 0.415 1.00 0.40 C ATOM 774 O VAL A 35 -2.956 15.097 1.541 1.00 0.44 O ATOM 775 CB VAL A 35 -5.326 16.513 -0.595 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.231 15.533 0.132 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.063 17.813 -0.877 1.00 0.65 C ATOM 0 H VAL A 35 -3.322 17.745 -1.521 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.272 17.219 1.168 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.043 16.060 -1.545 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.134 15.367 -0.455 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.708 14.587 0.268 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.501 15.941 1.106 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -6.974 17.601 -1.437 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.320 18.297 0.065 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.424 18.474 -1.462 1.00 0.65 H new ATOM 787 N ILE A 36 -3.058 14.768 -0.691 1.00 0.38 N ATOM 788 CA ILE A 36 -2.448 13.437 -0.709 1.00 0.39 C ATOM 789 C ILE A 36 -1.153 13.359 0.104 1.00 0.46 C ATOM 790 O ILE A 36 -0.907 12.376 0.801 1.00 0.51 O ATOM 791 CB ILE A 36 -2.169 13.033 -2.159 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.413 13.289 -3.011 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.806 11.569 -2.211 1.00 0.48 C ATOM 794 CD1 ILE A 36 -3.195 13.101 -4.490 1.00 0.51 C ATOM 0 H ILE A 36 -3.288 15.118 -1.621 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.154 12.751 -0.242 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.340 13.624 -2.549 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.208 12.619 -2.684 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.760 14.307 -2.832 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.607 11.280 -3.243 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.916 11.393 -1.607 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.633 10.975 -1.821 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -4.124 13.301 -5.023 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.423 13.790 -4.834 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.879 12.076 -4.684 1.00 0.51 H new ATOM 806 N LYS A 37 -0.343 14.408 0.038 1.00 0.52 N ATOM 807 CA LYS A 37 0.963 14.407 0.669 1.00 0.67 C ATOM 808 C LYS A 37 0.860 14.626 2.180 1.00 0.66 C ATOM 809 O LYS A 37 1.766 14.266 2.934 1.00 0.79 O ATOM 810 CB LYS A 37 1.817 15.496 0.023 1.00 0.91 C ATOM 811 CG LYS A 37 3.227 15.577 0.560 1.00 0.75 C ATOM 812 CD LYS A 37 4.003 16.718 -0.083 1.00 0.94 C ATOM 813 CE LYS A 37 3.542 18.073 0.429 1.00 0.70 C ATOM 814 NZ LYS A 37 4.044 18.345 1.802 1.00 0.97 N ATOM 0 H LYS A 37 -0.573 15.274 -0.450 1.00 0.52 H new ATOM 0 HA LYS A 37 1.428 13.432 0.522 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.859 15.319 -1.052 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.329 16.459 0.169 1.00 0.91 H new ATOM 0 HG2 LYS A 37 3.199 15.718 1.640 1.00 0.75 H new ATOM 0 HG3 LYS A 37 3.743 14.635 0.375 1.00 0.75 H new ATOM 0 HD2 LYS A 37 5.067 16.595 0.121 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.880 16.677 -1.165 1.00 0.94 H new ATOM 0 HE2 LYS A 37 3.890 18.854 -0.247 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.453 18.111 0.426 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.795 19.317 2.077 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 3.611 17.675 2.469 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 5.078 18.234 1.822 1.00 0.97 H new ATOM 828 N LEU A 38 -0.254 15.192 2.618 1.00 0.63 N ATOM 829 CA LEU A 38 -0.444 15.506 4.032 1.00 0.70 C ATOM 830 C LEU A 38 -1.394 14.509 4.673 1.00 0.65 C ATOM 831 O LEU A 38 -1.666 14.569 5.874 1.00 0.91 O ATOM 832 CB LEU A 38 -0.970 16.935 4.221 1.00 0.82 C ATOM 833 CG LEU A 38 0.065 18.058 4.058 1.00 1.08 C ATOM 834 CD1 LEU A 38 1.256 17.825 4.973 1.00 2.08 C ATOM 835 CD2 LEU A 38 0.518 18.181 2.612 1.00 1.61 C ATOM 0 H LEU A 38 -1.040 15.444 2.019 1.00 0.63 H new ATOM 0 HA LEU A 38 0.527 15.436 4.522 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -1.775 17.103 3.506 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -1.407 17.012 5.217 1.00 0.82 H new ATOM 0 HG LEU A 38 -0.411 18.997 4.342 1.00 1.08 H new ATOM 0 HD11 LEU A 38 1.978 18.631 4.843 1.00 2.08 H new ATOM 0 HD12 LEU A 38 0.920 17.803 6.010 1.00 2.08 H new ATOM 0 HD13 LEU A 38 1.726 16.874 4.724 1.00 2.08 H new ATOM 0 HD21 LEU A 38 1.250 18.984 2.527 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.970 17.242 2.291 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.341 18.405 1.979 1.00 1.61 H new ATOM 847 N ALA A 39 -1.887 13.591 3.863 1.00 0.52 N ATOM 848 CA ALA A 39 -2.798 12.569 4.329 1.00 0.53 C ATOM 849 C ALA A 39 -2.049 11.488 5.092 1.00 0.60 C ATOM 850 O ALA A 39 -1.143 10.846 4.553 1.00 1.03 O ATOM 851 CB ALA A 39 -3.549 11.963 3.155 1.00 0.55 C ATOM 0 H ALA A 39 -1.667 13.535 2.869 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.516 13.030 5.007 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.232 11.195 3.517 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.116 12.742 2.645 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -2.838 11.517 2.459 1.00 0.55 H new ATOM 857 N GLY A 40 -2.416 11.308 6.352 1.00 0.43 N ATOM 858 CA GLY A 40 -1.863 10.227 7.131 1.00 0.46 C ATOM 859 C GLY A 40 -2.384 8.901 6.637 1.00 0.46 C ATOM 860 O GLY A 40 -3.574 8.765 6.364 1.00 0.84 O ATOM 0 H GLY A 40 -3.088 11.894 6.847 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.775 10.244 7.067 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.122 10.358 8.182 1.00 0.46 H new ATOM 864 N VAL A 41 -1.507 7.924 6.514 1.00 0.44 N ATOM 865 CA VAL A 41 -1.883 6.653 5.928 1.00 0.45 C ATOM 866 C VAL A 41 -1.606 5.512 6.889 1.00 0.36 C ATOM 867 O VAL A 41 -0.498 5.370 7.409 1.00 0.41 O ATOM 868 CB VAL A 41 -1.147 6.405 4.598 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.536 5.058 4.004 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.436 7.525 3.614 1.00 1.30 C ATOM 0 H VAL A 41 -0.533 7.985 6.811 1.00 0.44 H new ATOM 0 HA VAL A 41 -2.953 6.695 5.725 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.076 6.389 4.800 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.003 4.907 3.065 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.274 4.263 4.702 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.610 5.039 3.818 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.908 7.334 2.680 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.508 7.573 3.422 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -1.100 8.473 4.033 1.00 1.30 H new ATOM 880 N THR A 42 -2.630 4.724 7.142 1.00 0.31 N ATOM 881 CA THR A 42 -2.505 3.545 7.971 1.00 0.30 C ATOM 882 C THR A 42 -2.570 2.294 7.105 1.00 0.29 C ATOM 883 O THR A 42 -3.627 1.956 6.563 1.00 0.32 O ATOM 884 CB THR A 42 -3.612 3.507 9.040 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.551 4.705 9.825 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.460 2.293 9.943 1.00 0.45 C ATOM 0 H THR A 42 -3.570 4.883 6.779 1.00 0.31 H new ATOM 0 HA THR A 42 -1.541 3.580 8.479 1.00 0.30 H new ATOM 0 HB THR A 42 -4.578 3.438 8.539 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.255 4.686 10.506 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.255 2.292 10.688 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.523 1.384 9.344 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.493 2.331 10.444 1.00 0.45 H new ATOM 894 N LYS A 43 -1.431 1.635 6.955 1.00 0.31 N ATOM 895 CA LYS A 43 -1.332 0.433 6.143 1.00 0.35 C ATOM 896 C LYS A 43 -1.664 -0.777 7.002 1.00 0.33 C ATOM 897 O LYS A 43 -0.982 -1.038 7.984 1.00 0.41 O ATOM 898 CB LYS A 43 0.095 0.304 5.594 1.00 0.50 C ATOM 899 CG LYS A 43 0.181 0.028 4.100 1.00 0.77 C ATOM 900 CD LYS A 43 -0.360 1.190 3.283 1.00 0.53 C ATOM 901 CE LYS A 43 -0.044 1.035 1.804 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.641 2.124 0.989 1.00 0.79 N ATOM 0 H LYS A 43 -0.553 1.917 7.391 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.032 0.491 5.310 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.637 1.224 5.811 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.603 -0.499 6.128 1.00 0.50 H new ATOM 0 HG2 LYS A 43 1.218 -0.160 3.823 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -0.380 -0.876 3.864 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -1.439 1.259 3.419 1.00 0.53 H new ATOM 0 HD3 LYS A 43 0.068 2.123 3.650 1.00 0.53 H new ATOM 0 HE2 LYS A 43 1.037 1.028 1.663 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.417 0.073 1.453 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.640 1.848 -0.014 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.619 2.295 1.300 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.083 2.993 1.109 1.00 0.79 H new ATOM 916 N LYS A 44 -2.707 -1.515 6.661 1.00 0.31 N ATOM 917 CA LYS A 44 -3.092 -2.650 7.475 1.00 0.35 C ATOM 918 C LYS A 44 -3.088 -3.938 6.667 1.00 0.34 C ATOM 919 O LYS A 44 -3.782 -4.052 5.658 1.00 0.47 O ATOM 920 CB LYS A 44 -4.475 -2.430 8.081 1.00 0.44 C ATOM 921 CG LYS A 44 -4.824 -3.447 9.153 1.00 0.90 C ATOM 922 CD LYS A 44 -6.236 -3.246 9.669 1.00 0.88 C ATOM 923 CE LYS A 44 -7.199 -4.287 9.111 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.498 -4.070 7.670 1.00 1.96 N ATOM 0 H LYS A 44 -3.292 -1.352 5.841 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.358 -2.743 8.276 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -4.522 -1.429 8.509 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.223 -2.474 7.290 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.723 -4.454 8.748 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.118 -3.364 9.979 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.235 -3.299 10.758 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.583 -2.249 9.398 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.772 -5.281 9.245 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -8.128 -4.260 9.680 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.074 -4.859 7.312 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.021 -3.179 7.554 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -6.608 -4.021 7.134 1.00 1.96 H new ATOM 938 N PHE A 45 -2.296 -4.894 7.120 1.00 0.29 N ATOM 939 CA PHE A 45 -2.266 -6.224 6.540 1.00 0.29 C ATOM 940 C PHE A 45 -2.597 -7.247 7.616 1.00 0.30 C ATOM 941 O PHE A 45 -2.278 -7.037 8.784 1.00 0.37 O ATOM 942 CB PHE A 45 -0.887 -6.536 5.966 1.00 0.32 C ATOM 943 CG PHE A 45 -0.524 -5.776 4.722 1.00 0.36 C ATOM 944 CD1 PHE A 45 -0.102 -4.459 4.805 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.628 -6.367 3.474 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.209 -3.746 3.666 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.313 -5.658 2.332 1.00 0.52 C ATOM 948 CZ PHE A 45 0.186 -4.398 2.421 1.00 0.54 C ATOM 0 H PHE A 45 -1.654 -4.769 7.903 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.999 -6.267 5.735 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.138 -6.329 6.730 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.835 -7.603 5.749 1.00 0.32 H new ATOM 0 HD1 PHE A 45 -0.016 -3.986 5.772 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.959 -7.392 3.393 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.467 -2.699 3.730 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.464 -6.108 1.362 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.563 -3.900 1.540 1.00 0.54 H new ATOM 958 N ARG A 46 -3.252 -8.335 7.233 1.00 0.31 N ATOM 959 CA ARG A 46 -3.549 -9.430 8.155 1.00 0.33 C ATOM 960 C ARG A 46 -4.311 -10.528 7.440 1.00 0.31 C ATOM 961 O ARG A 46 -4.542 -10.441 6.241 1.00 0.33 O ATOM 962 CB ARG A 46 -4.355 -8.942 9.365 1.00 0.39 C ATOM 963 CG ARG A 46 -5.626 -8.190 9.003 1.00 0.50 C ATOM 964 CD ARG A 46 -6.359 -7.719 10.247 1.00 0.64 C ATOM 965 NE ARG A 46 -5.525 -6.860 11.091 1.00 1.51 N ATOM 966 CZ ARG A 46 -5.856 -6.489 12.329 1.00 2.03 C ATOM 967 NH1 ARG A 46 -7.016 -6.872 12.851 1.00 1.85 N ATOM 968 NH2 ARG A 46 -5.035 -5.725 13.038 1.00 3.17 N ATOM 0 H ARG A 46 -3.591 -8.486 6.283 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.599 -9.825 8.516 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -4.617 -9.801 9.983 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -3.723 -8.294 9.972 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.379 -7.333 8.377 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.279 -8.836 8.416 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.257 -7.175 9.953 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.685 -8.585 10.823 1.00 0.64 H new ATOM 0 HE ARG A 46 -4.640 -6.526 10.710 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -7.655 -7.450 12.305 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -7.268 -6.588 13.798 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -4.148 -5.420 12.637 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -5.291 -5.443 13.984 1.00 3.17 H new ATOM 982 N ASN A 47 -4.673 -11.557 8.182 1.00 0.33 N ATOM 983 CA ASN A 47 -5.530 -12.617 7.663 1.00 0.37 C ATOM 984 C ASN A 47 -6.894 -12.041 7.305 1.00 0.39 C ATOM 985 O ASN A 47 -7.285 -11.006 7.856 1.00 0.54 O ATOM 986 CB ASN A 47 -5.675 -13.743 8.689 1.00 0.50 C ATOM 987 CG ASN A 47 -4.479 -14.675 8.699 1.00 0.92 C ATOM 988 OD1 ASN A 47 -4.435 -15.657 7.955 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.502 -14.383 9.544 1.00 1.44 N ATOM 0 H ASN A 47 -4.387 -11.686 9.153 1.00 0.33 H new ATOM 0 HA ASN A 47 -5.074 -13.035 6.766 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.804 -13.312 9.682 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.576 -14.316 8.471 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.676 -14.980 9.595 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.575 -13.561 10.144 1.00 1.44 H new ATOM 996 N ALA A 48 -7.605 -12.687 6.380 1.00 0.36 N ATOM 997 CA ALA A 48 -8.899 -12.192 5.924 1.00 0.41 C ATOM 998 C ALA A 48 -9.821 -11.903 7.098 1.00 0.64 C ATOM 999 O ALA A 48 -9.823 -12.630 8.092 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.536 -13.178 4.959 1.00 0.49 C ATOM 0 H ALA A 48 -7.305 -13.554 5.934 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.736 -11.253 5.395 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.501 -12.793 4.629 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.885 -13.314 4.095 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.680 -14.136 5.459 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.589 -10.831 6.961 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.391 -10.267 8.044 1.00 1.18 C ATOM 1008 C ALA A 49 -12.209 -11.300 8.801 1.00 1.17 C ATOM 1009 O ALA A 49 -12.060 -11.450 10.014 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.306 -9.209 7.482 1.00 1.48 C ATOM 0 H ALA A 49 -10.675 -10.319 6.083 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.693 -9.841 8.765 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -12.908 -8.784 8.286 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.711 -8.422 7.019 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.962 -9.655 6.735 1.00 1.48 H new ATOM 1016 N SER A 50 -13.077 -12.002 8.091 1.00 1.12 N ATOM 1017 CA SER A 50 -13.937 -12.984 8.725 1.00 1.50 C ATOM 1018 C SER A 50 -13.078 -14.112 9.275 1.00 1.66 C ATOM 1019 O SER A 50 -13.336 -14.650 10.354 1.00 2.19 O ATOM 1020 CB SER A 50 -14.963 -13.517 7.723 1.00 1.77 C ATOM 1021 OG SER A 50 -15.974 -14.271 8.372 1.00 2.37 O ATOM 0 H SER A 50 -13.203 -11.911 7.083 1.00 1.12 H new ATOM 0 HA SER A 50 -14.484 -12.519 9.545 1.00 1.50 H new ATOM 0 HB2 SER A 50 -15.416 -12.684 7.186 1.00 1.77 H new ATOM 0 HB3 SER A 50 -14.461 -14.139 6.982 1.00 1.77 H new ATOM 0 HG SER A 50 -16.616 -14.597 7.707 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.054 -14.454 8.515 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.079 -15.421 8.974 1.00 1.68 C ATOM 1029 C GLY A 51 -10.926 -16.589 8.027 1.00 1.70 C ATOM 1030 O GLY A 51 -10.498 -17.671 8.435 1.00 1.91 O ATOM 0 H GLY A 51 -11.878 -14.078 7.583 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.114 -14.928 9.096 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.374 -15.791 9.956 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.265 -16.374 6.763 1.00 1.54 N ATOM 1035 CA LYS A 52 -11.131 -17.412 5.753 1.00 1.60 C ATOM 1036 C LYS A 52 -9.659 -17.636 5.434 1.00 1.44 C ATOM 1037 O LYS A 52 -8.924 -16.684 5.168 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.895 -17.021 4.486 1.00 1.62 C ATOM 1039 CG LYS A 52 -13.404 -16.968 4.671 1.00 1.92 C ATOM 1040 CD LYS A 52 -14.088 -16.363 3.457 1.00 1.94 C ATOM 1041 CE LYS A 52 -15.603 -16.345 3.600 1.00 2.59 C ATOM 1042 NZ LYS A 52 -16.192 -17.710 3.538 1.00 3.17 N ATOM 0 H LYS A 52 -11.635 -15.490 6.414 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.554 -18.339 6.140 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -11.545 -16.045 4.148 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -11.660 -17.735 3.696 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.787 -17.974 4.843 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -13.644 -16.380 5.557 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -13.727 -15.345 3.308 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.815 -16.931 2.568 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -15.871 -15.879 4.548 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -16.033 -15.730 2.810 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -17.230 -17.641 3.555 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -15.890 -18.179 2.660 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -15.869 -18.265 4.356 1.00 3.17 H new ATOM 1056 N PRO A 53 -9.208 -18.898 5.470 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.802 -19.243 5.248 1.00 1.40 C ATOM 1058 C PRO A 53 -7.346 -18.960 3.822 1.00 1.15 C ATOM 1059 O PRO A 53 -8.152 -18.985 2.888 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.750 -20.743 5.533 1.00 1.68 C ATOM 1061 CG PRO A 53 -9.139 -21.219 5.304 1.00 1.84 C ATOM 1062 CD PRO A 53 -10.032 -20.089 5.730 1.00 1.76 C ATOM 0 HA PRO A 53 -7.140 -18.651 5.880 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -7.045 -21.247 4.873 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.427 -20.941 6.555 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -9.299 -21.470 4.255 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -9.344 -22.120 5.882 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.960 -20.070 5.158 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.308 -20.167 6.782 1.00 1.76 H new ATOM 1070 N ASP A 54 -6.054 -18.656 3.700 1.00 1.04 N ATOM 1071 CA ASP A 54 -5.378 -18.392 2.428 1.00 0.90 C ATOM 1072 C ASP A 54 -5.501 -16.921 2.092 1.00 0.68 C ATOM 1073 O ASP A 54 -4.505 -16.212 1.970 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.917 -19.274 1.287 1.00 1.06 C ATOM 1075 CG ASP A 54 -5.406 -18.866 -0.085 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -6.201 -18.857 -1.043 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -4.213 -18.512 -0.193 1.00 1.60 O ATOM 0 H ASP A 54 -5.431 -18.584 4.504 1.00 1.04 H new ATOM 0 HA ASP A 54 -4.325 -18.650 2.539 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.639 -20.311 1.477 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -7.006 -19.231 1.288 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.728 -16.473 1.959 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.996 -15.067 1.710 1.00 0.47 C ATOM 1084 C ARG A 55 -6.646 -14.192 2.905 1.00 0.41 C ATOM 1085 O ARG A 55 -6.812 -14.574 4.066 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.445 -14.850 1.271 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.648 -15.147 -0.206 1.00 1.24 C ATOM 1088 CD ARG A 55 -10.048 -14.800 -0.678 1.00 1.87 C ATOM 1089 NE ARG A 55 -10.152 -14.834 -2.137 1.00 2.57 N ATOM 1090 CZ ARG A 55 -11.268 -15.126 -2.804 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -12.397 -15.375 -2.152 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -11.253 -15.157 -4.130 1.00 4.10 N ATOM 0 H ARG A 55 -7.561 -17.059 2.018 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.345 -14.760 0.892 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -9.101 -15.489 1.862 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.734 -13.819 1.476 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.920 -14.584 -0.791 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.456 -16.204 -0.391 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.762 -15.501 -0.246 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -10.318 -13.808 -0.317 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.315 -14.620 -2.679 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -12.415 -15.344 -1.133 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -13.247 -15.598 -2.670 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.389 -14.958 -4.635 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -12.105 -15.380 -4.645 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.132 -13.018 2.591 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.723 -12.054 3.587 1.00 0.32 C ATOM 1108 C TYR A 56 -6.529 -10.768 3.433 1.00 0.33 C ATOM 1109 O TYR A 56 -7.374 -10.650 2.542 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.222 -11.766 3.462 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.331 -12.898 3.938 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.822 -13.824 3.037 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.997 -13.046 5.282 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.009 -14.859 3.452 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.183 -14.082 5.704 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.700 -14.968 4.838 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.877 -16.012 5.198 1.00 0.97 O ATOM 0 H TYR A 56 -5.987 -12.707 1.630 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.913 -12.467 4.577 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.990 -11.550 2.419 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.987 -10.868 4.033 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.068 -13.732 1.989 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.379 -12.341 6.006 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.616 -15.571 2.741 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.936 -14.172 6.752 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.729 -15.993 6.167 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.258 -9.814 4.308 1.00 0.32 N ATOM 1128 CA ASP A 57 -6.978 -8.552 4.341 1.00 0.34 C ATOM 1129 C ASP A 57 -5.989 -7.395 4.312 1.00 0.29 C ATOM 1130 O ASP A 57 -4.996 -7.407 5.040 1.00 0.32 O ATOM 1131 CB ASP A 57 -7.828 -8.480 5.614 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.722 -7.261 5.670 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.336 -6.274 6.328 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -9.801 -7.267 5.033 1.00 0.99 O ATOM 0 H ASP A 57 -5.530 -9.893 5.018 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.630 -8.484 3.470 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.444 -9.377 5.682 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.169 -8.479 6.482 1.00 0.43 H new ATOM 1139 N MET A 58 -6.248 -6.403 3.469 1.00 0.27 N ATOM 1140 CA MET A 58 -5.373 -5.237 3.382 1.00 0.26 C ATOM 1141 C MET A 58 -6.222 -3.980 3.330 1.00 0.27 C ATOM 1142 O MET A 58 -7.246 -3.951 2.654 1.00 0.33 O ATOM 1143 CB MET A 58 -4.450 -5.327 2.157 1.00 0.30 C ATOM 1144 CG MET A 58 -3.330 -4.291 2.148 1.00 0.51 C ATOM 1145 SD MET A 58 -3.882 -2.645 1.665 1.00 0.98 S ATOM 1146 CE MET A 58 -2.476 -1.659 2.167 1.00 0.36 C ATOM 0 H MET A 58 -7.050 -6.380 2.840 1.00 0.27 H new ATOM 0 HA MET A 58 -4.735 -5.204 4.265 1.00 0.26 H new ATOM 0 HB2 MET A 58 -4.010 -6.323 2.119 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.049 -5.208 1.254 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.884 -4.240 3.141 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.547 -4.619 1.464 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.689 -1.183 3.124 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.600 -2.299 2.267 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.282 -0.893 1.416 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.817 -2.947 4.047 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.632 -1.752 4.156 1.00 0.32 C ATOM 1158 C GLU A 59 -5.772 -0.498 4.278 1.00 0.31 C ATOM 1159 O GLU A 59 -4.664 -0.541 4.816 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.558 -1.916 5.366 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.511 -0.766 5.631 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.431 -1.066 6.797 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -8.987 -1.756 7.742 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.599 -0.629 6.776 1.00 1.11 O ATOM 0 H GLU A 59 -4.935 -2.912 4.559 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.226 -1.628 3.251 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.145 -2.825 5.230 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -6.942 -2.064 6.253 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -7.941 0.140 5.839 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.105 -0.571 4.738 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.288 0.609 3.751 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.607 1.896 3.818 1.00 0.42 C ATOM 1173 C ASN A 60 -6.545 2.939 4.391 1.00 0.46 C ATOM 1174 O ASN A 60 -7.470 3.393 3.712 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.142 2.375 2.438 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.238 1.395 1.727 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.032 1.417 1.916 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.809 0.556 0.879 1.00 1.02 N ATOM 0 H ASN A 60 -7.186 0.638 3.268 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.731 1.764 4.453 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.016 2.566 1.816 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.617 3.324 2.550 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.238 -0.106 0.353 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.821 0.570 0.751 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.322 3.305 5.638 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.104 4.353 6.271 1.00 0.39 C ATOM 1187 C LEU A 61 -6.325 5.656 6.261 1.00 0.39 C ATOM 1188 O LEU A 61 -5.198 5.717 6.754 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.475 3.955 7.698 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.498 2.823 7.806 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.709 2.433 9.258 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.819 3.234 7.168 1.00 1.66 C ATOM 0 H LEU A 61 -5.605 2.893 6.235 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.027 4.494 5.709 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.568 3.657 8.224 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.869 4.831 8.213 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.110 1.957 7.269 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.440 1.626 9.316 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.764 2.098 9.686 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.075 3.295 9.817 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.535 2.416 7.254 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.211 4.114 7.677 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.658 3.466 6.115 1.00 1.66 H new ATOM 1204 N THR A 62 -6.917 6.693 5.694 1.00 0.34 N ATOM 1205 CA THR A 62 -6.230 7.953 5.536 1.00 0.35 C ATOM 1206 C THR A 62 -7.036 9.078 6.164 1.00 0.37 C ATOM 1207 O THR A 62 -7.818 8.855 7.090 1.00 0.43 O ATOM 1208 CB THR A 62 -5.962 8.271 4.045 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.190 8.511 3.349 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.236 7.126 3.365 1.00 0.45 C ATOM 0 H THR A 62 -7.872 6.682 5.337 1.00 0.34 H new ATOM 0 HA THR A 62 -5.269 7.869 6.044 1.00 0.35 H new ATOM 0 HB THR A 62 -5.339 9.165 4.013 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.996 8.866 2.456 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.061 7.376 2.319 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.281 6.954 3.862 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.844 6.223 3.425 1.00 0.45 H new ATOM 1218 N THR A 63 -6.843 10.278 5.664 1.00 0.42 N ATOM 1219 CA THR A 63 -7.540 11.435 6.171 1.00 0.46 C ATOM 1220 C THR A 63 -8.694 11.823 5.253 1.00 0.46 C ATOM 1221 O THR A 63 -9.750 12.260 5.711 1.00 0.54 O ATOM 1222 CB THR A 63 -6.560 12.606 6.299 1.00 0.50 C ATOM 1223 OG1 THR A 63 -5.961 12.867 5.022 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.475 12.267 7.304 1.00 0.50 C ATOM 0 H THR A 63 -6.201 10.477 4.897 1.00 0.42 H new ATOM 0 HA THR A 63 -7.952 11.191 7.150 1.00 0.46 H new ATOM 0 HB THR A 63 -7.100 13.489 6.640 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.598 13.777 5.011 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.783 13.105 7.389 1.00 0.50 H new ATOM 0 HG22 THR A 63 -5.928 12.071 8.276 1.00 0.50 H new ATOM 0 HG23 THR A 63 -4.934 11.382 6.970 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.491 11.640 3.953 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.466 12.074 2.962 1.00 0.50 C ATOM 1234 C LYS A 64 -9.977 10.904 2.129 1.00 0.49 C ATOM 1235 O LYS A 64 -10.726 11.100 1.174 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.844 13.123 2.039 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.231 14.306 2.773 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.272 15.084 3.558 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.643 16.228 4.331 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.625 16.905 5.218 1.00 2.24 N ATOM 0 H LYS A 64 -7.661 11.195 3.562 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.311 12.507 3.497 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.074 12.647 1.431 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.609 13.490 1.355 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.455 13.950 3.451 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.748 14.968 2.055 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.026 15.476 2.876 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.784 14.414 4.249 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -7.814 15.849 4.929 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -8.226 16.953 3.632 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -9.155 17.680 5.728 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.403 17.289 4.645 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.004 16.220 5.903 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.566 9.690 2.469 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.987 8.526 1.711 1.00 0.49 C ATOM 1256 C LYS A 65 -10.126 7.307 2.626 1.00 0.52 C ATOM 1257 O LYS A 65 -10.257 7.440 3.844 1.00 1.09 O ATOM 1258 CB LYS A 65 -8.987 8.261 0.570 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.584 7.537 -0.634 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.659 8.365 -1.325 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.458 7.523 -2.305 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.517 8.307 -2.992 1.00 1.82 N ATOM 0 H LYS A 65 -8.949 9.489 3.256 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.967 8.718 1.273 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.572 9.213 0.238 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.158 7.671 0.959 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -8.792 7.305 -1.346 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.010 6.587 -0.311 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.329 8.792 -0.578 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.196 9.199 -1.852 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -10.784 7.098 -3.049 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.915 6.688 -1.774 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.260 7.664 -3.332 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.929 8.991 -2.326 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.104 8.816 -3.800 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.033 6.139 2.019 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.356 4.862 2.647 1.00 0.39 C ATOM 1278 C ASP A 66 -10.422 3.796 1.575 1.00 0.43 C ATOM 1279 O ASP A 66 -11.079 3.974 0.549 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.696 4.903 3.387 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.220 3.519 3.748 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -11.925 3.039 4.859 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.940 2.912 2.925 1.00 2.12 O ATOM 0 H ASP A 66 -9.724 6.045 1.052 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.578 4.642 3.378 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.584 5.492 4.297 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.432 5.413 2.766 1.00 0.57 H new ATOM 1288 N THR A 67 -9.728 2.707 1.802 1.00 0.35 N ATOM 1289 CA THR A 67 -9.744 1.580 0.891 1.00 0.32 C ATOM 1290 C THR A 67 -9.599 0.307 1.685 1.00 0.26 C ATOM 1291 O THR A 67 -8.822 0.257 2.640 1.00 0.30 O ATOM 1292 CB THR A 67 -8.609 1.646 -0.148 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.364 1.890 0.510 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.868 2.728 -1.177 1.00 0.56 C ATOM 0 H THR A 67 -9.136 2.574 2.622 1.00 0.35 H new ATOM 0 HA THR A 67 -10.691 1.607 0.352 1.00 0.32 H new ATOM 0 HB THR A 67 -8.567 0.688 -0.667 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.769 2.387 -0.090 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.049 2.750 -1.896 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.803 2.519 -1.697 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.938 3.695 -0.679 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.320 -0.720 1.300 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.288 -1.958 2.035 1.00 0.23 C ATOM 1304 C HIS A 68 -10.313 -3.131 1.074 1.00 0.22 C ATOM 1305 O HIS A 68 -11.370 -3.550 0.610 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.465 -2.034 3.010 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.352 -3.149 4.002 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.152 -3.249 5.117 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.533 -4.225 4.038 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -11.832 -4.336 5.790 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -10.852 -4.943 5.155 1.00 1.95 N ATOM 0 H HIS A 68 -10.933 -0.721 0.485 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.365 -2.000 2.614 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.543 -1.088 3.547 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.388 -2.156 2.443 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -9.768 -4.471 3.316 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.295 -4.671 6.706 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -10.403 -5.810 5.450 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.133 -3.654 0.788 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.996 -4.827 -0.055 1.00 0.26 C ATOM 1322 C HIS A 69 -9.512 -6.043 0.707 1.00 0.29 C ATOM 1323 O HIS A 69 -8.762 -6.700 1.438 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.534 -5.040 -0.459 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.901 -3.869 -1.157 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.579 -3.035 -2.016 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.629 -3.407 -1.123 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.748 -2.116 -2.483 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.552 -2.320 -1.957 1.00 0.39 N ATOM 0 H HIS A 69 -8.249 -3.280 1.132 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.578 -4.684 -0.966 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.954 -5.271 0.434 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.474 -5.911 -1.112 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.567 -3.113 -2.256 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.818 -3.821 -0.542 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.004 -1.330 -3.178 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.716 -1.765 -2.140 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.809 -6.288 0.578 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.474 -7.366 1.289 1.00 0.37 C ATOM 1340 C LYS A 70 -11.233 -8.727 0.648 1.00 0.31 C ATOM 1341 O LYS A 70 -11.637 -8.965 -0.494 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.971 -7.084 1.360 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.303 -5.958 2.305 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.698 -5.424 2.079 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.910 -4.190 2.915 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.259 -4.514 4.326 1.00 2.30 N ATOM 0 H LYS A 70 -11.428 -5.744 -0.023 1.00 0.31 H new ATOM 0 HA LYS A 70 -11.049 -7.405 2.292 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.339 -6.838 0.364 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -13.493 -7.987 1.678 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.211 -6.308 3.333 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.581 -5.152 2.177 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -14.842 -5.190 1.024 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.435 -6.183 2.340 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.005 -3.583 2.898 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -15.706 -3.589 2.475 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.395 -3.633 4.861 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.137 -5.071 4.347 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -14.489 -5.065 4.756 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.554 -9.597 1.393 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.427 -11.014 1.047 1.00 0.37 C ATOM 1362 C ASP A 71 -9.723 -11.220 -0.288 1.00 0.33 C ATOM 1363 O ASP A 71 -10.356 -11.514 -1.304 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.803 -11.688 1.025 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.372 -11.905 2.412 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.584 -13.077 2.796 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.625 -10.907 3.124 1.00 2.07 O ATOM 0 H ASP A 71 -10.075 -9.340 2.256 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.811 -11.477 1.818 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.494 -11.075 0.446 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.724 -12.648 0.515 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.412 -11.073 -0.270 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.595 -11.310 -1.449 1.00 0.30 C ATOM 1374 C TRP A 72 -6.553 -12.380 -1.151 1.00 0.31 C ATOM 1375 O TRP A 72 -6.056 -12.474 -0.030 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.903 -10.013 -1.884 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.087 -9.378 -0.798 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.518 -8.463 0.117 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.702 -9.609 -0.508 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.490 -8.118 0.958 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.367 -8.806 0.593 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.709 -10.417 -1.068 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -3.088 -8.793 1.137 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.445 -10.389 -0.513 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.152 -9.585 0.574 1.00 0.43 C ATOM 0 H TRP A 72 -7.884 -10.788 0.555 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.238 -11.654 -2.259 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.258 -10.223 -2.737 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.658 -9.303 -2.223 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.522 -8.068 0.172 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.554 -7.455 1.731 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.925 -11.049 -1.916 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.851 -8.168 1.985 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.668 -11.008 -0.937 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.152 -9.591 0.981 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.240 -13.198 -2.138 1.00 0.41 N ATOM 1397 CA ALA A 73 -5.209 -14.207 -1.979 1.00 0.50 C ATOM 1398 C ALA A 73 -3.924 -13.750 -2.647 1.00 0.48 C ATOM 1399 O ALA A 73 -3.957 -13.019 -3.634 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.673 -15.529 -2.565 1.00 0.55 C ATOM 0 H ALA A 73 -6.683 -13.184 -3.056 1.00 0.41 H new ATOM 0 HA ALA A 73 -5.016 -14.350 -0.916 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.891 -16.277 -2.439 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.576 -15.858 -2.051 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.886 -15.402 -3.626 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.790 -14.129 -2.077 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.502 -13.850 -2.686 1.00 0.67 C ATOM 1408 C LEU A 74 -1.452 -14.436 -4.098 1.00 0.57 C ATOM 1409 O LEU A 74 -1.561 -15.649 -4.288 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.389 -14.427 -1.805 1.00 0.95 C ATOM 1411 CG LEU A 74 0.981 -13.750 -1.917 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.899 -14.241 -0.809 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.608 -14.012 -3.273 1.00 1.71 C ATOM 0 H LEU A 74 -2.738 -14.632 -1.191 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.357 -12.773 -2.767 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.713 -14.375 -0.766 1.00 0.95 H new ATOM 0 HB3 LEU A 74 -0.271 -15.483 -2.050 1.00 0.95 H new ATOM 0 HG LEU A 74 0.840 -12.674 -1.811 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.870 -13.754 -0.898 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.460 -14.002 0.160 1.00 1.28 H new ATOM 0 HD13 LEU A 74 2.026 -15.320 -0.893 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.579 -13.520 -3.326 1.00 1.71 H new ATOM 0 HD22 LEU A 74 1.736 -15.085 -3.413 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.959 -13.619 -4.056 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.267 -13.562 -5.075 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.304 -13.967 -6.464 1.00 0.56 C ATOM 1427 C GLY A 75 -2.703 -13.904 -7.048 1.00 0.51 C ATOM 1428 O GLY A 75 -3.005 -14.595 -8.021 1.00 0.59 O ATOM 0 H GLY A 75 -1.090 -12.568 -4.928 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.642 -13.325 -7.045 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.921 -14.984 -6.553 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.558 -13.076 -6.459 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.940 -12.960 -6.911 1.00 0.40 C ATOM 1434 C GLU A 76 -5.260 -11.535 -7.359 1.00 0.36 C ATOM 1435 O GLU A 76 -4.928 -10.558 -6.681 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.897 -13.417 -5.806 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.365 -13.381 -6.189 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.241 -14.096 -5.181 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.433 -13.558 -4.069 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.747 -15.193 -5.492 1.00 1.59 O ATOM 0 H GLU A 76 -3.320 -12.476 -5.669 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.073 -13.610 -7.776 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.636 -14.434 -5.514 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.748 -12.786 -4.930 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.689 -12.344 -6.278 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.494 -13.840 -7.169 1.00 0.92 H new ATOM 1447 N GLU A 77 -5.869 -11.441 -8.532 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.308 -10.171 -9.096 1.00 0.43 C ATOM 1449 C GLU A 77 -7.794 -9.954 -8.813 1.00 0.44 C ATOM 1450 O GLU A 77 -8.633 -10.771 -9.196 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.050 -10.173 -10.603 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.559 -8.942 -11.331 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.380 -9.057 -12.827 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.312 -8.658 -13.336 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.308 -9.531 -13.508 1.00 0.90 O ATOM 0 H GLU A 77 -6.074 -12.247 -9.123 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.748 -9.357 -8.635 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.977 -10.264 -10.775 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.518 -11.056 -11.038 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.615 -8.796 -11.102 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.029 -8.061 -10.969 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.112 -8.859 -8.143 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.484 -8.546 -7.770 1.00 0.41 C ATOM 1464 C PHE A 78 -9.796 -7.091 -8.101 1.00 0.42 C ATOM 1465 O PHE A 78 -8.886 -6.277 -8.227 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.683 -8.800 -6.271 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.788 -7.972 -5.387 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.475 -8.355 -5.150 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.258 -6.811 -4.793 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.652 -7.596 -4.343 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.440 -6.049 -3.984 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.135 -6.440 -3.759 1.00 0.52 C ATOM 0 H PHE A 78 -7.430 -8.163 -7.842 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.163 -9.187 -8.333 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.722 -8.595 -6.013 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.505 -9.855 -6.065 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.093 -9.258 -5.603 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.277 -6.499 -4.966 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.632 -7.905 -4.168 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.820 -5.147 -3.527 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.493 -5.844 -3.128 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.070 -6.767 -8.260 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.468 -5.385 -8.483 1.00 0.51 C ATOM 1484 C GLN A 79 -11.751 -4.716 -7.142 1.00 0.50 C ATOM 1485 O GLN A 79 -12.155 -5.378 -6.185 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.684 -5.313 -9.411 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.018 -3.902 -9.874 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.034 -3.873 -11.000 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.014 -4.890 -11.849 1.00 1.95 O flip ATOM 1490 NE2 GLN A 79 -14.821 -2.933 -11.116 1.00 1.94 N flip ATOM 0 H GLN A 79 -11.840 -7.435 -8.239 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.655 -4.851 -8.974 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.501 -5.939 -10.285 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.549 -5.731 -8.895 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.403 -3.330 -9.030 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.104 -3.408 -10.204 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -14.805 -2.168 -10.441 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.489 -2.919 -11.887 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.547 -3.409 -7.077 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.538 -2.703 -5.801 1.00 0.49 C ATOM 1501 C ASP A 80 -11.858 -1.222 -6.011 1.00 0.52 C ATOM 1502 O ASP A 80 -11.726 -0.711 -7.127 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.149 -2.868 -5.174 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.038 -2.352 -3.755 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.152 -3.161 -2.810 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -9.788 -1.147 -3.574 1.00 1.26 O ATOM 0 H ASP A 80 -11.386 -2.815 -7.890 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.298 -3.117 -5.138 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.882 -3.925 -5.185 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.419 -2.348 -5.795 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.269 -0.542 -4.944 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.508 0.891 -4.998 1.00 0.65 C ATOM 1513 C GLU A 81 -11.322 1.606 -4.383 1.00 0.63 C ATOM 1514 O GLU A 81 -11.292 1.921 -3.191 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.815 1.276 -4.292 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.950 0.756 -2.868 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.235 1.206 -2.204 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.955 0.352 -1.648 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.535 2.420 -2.233 1.00 1.81 O ATOM 0 H GLU A 81 -12.443 -0.964 -4.032 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.618 1.194 -6.039 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -13.896 2.363 -4.276 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -14.653 0.903 -4.881 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.912 -0.333 -2.878 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.100 1.099 -2.278 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.349 1.858 -5.222 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.043 2.274 -4.772 1.00 0.67 C ATOM 1528 C ALA A 82 -9.000 3.730 -4.328 1.00 0.60 C ATOM 1529 O ALA A 82 -9.969 4.472 -4.509 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.034 2.016 -5.859 1.00 0.95 C ATOM 0 H ALA A 82 -10.439 1.781 -6.235 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.797 1.684 -3.889 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.046 2.330 -5.521 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.016 0.952 -6.094 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.308 2.579 -6.751 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.869 4.127 -3.755 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.689 5.469 -3.211 1.00 0.58 C ATOM 1538 C LEU A 83 -8.031 6.530 -4.246 1.00 0.59 C ATOM 1539 O LEU A 83 -8.589 7.580 -3.926 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.237 5.638 -2.758 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.764 4.628 -1.714 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -4.252 4.470 -1.774 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -6.197 5.063 -0.321 1.00 1.34 C ATOM 0 H LEU A 83 -7.050 3.527 -3.654 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.362 5.594 -2.363 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.589 5.565 -3.631 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.113 6.642 -2.352 1.00 0.66 H new ATOM 0 HG LEU A 83 -6.221 3.663 -1.934 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -3.932 3.747 -1.024 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -3.962 4.118 -2.764 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -3.778 5.431 -1.577 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.853 4.333 0.412 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.765 6.037 -0.093 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -7.284 5.130 -0.282 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.730 6.217 -5.494 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.888 7.154 -6.597 1.00 0.67 C ATOM 1557 C ASP A 84 -9.347 7.268 -7.059 1.00 0.69 C ATOM 1558 O ASP A 84 -9.623 7.676 -8.190 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.959 6.758 -7.748 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.190 5.345 -8.254 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.954 4.388 -7.498 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.626 5.180 -9.414 1.00 1.39 O ATOM 0 H ASP A 84 -7.368 5.305 -5.774 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.606 8.146 -6.244 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.096 7.458 -8.572 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.924 6.853 -7.418 1.00 0.70 H new ATOM 1567 N SER A 85 -10.268 6.879 -6.174 1.00 0.67 N ATOM 1568 CA SER A 85 -11.691 7.203 -6.298 1.00 0.74 C ATOM 1569 C SER A 85 -12.348 6.550 -7.512 1.00 0.77 C ATOM 1570 O SER A 85 -13.327 7.070 -8.057 1.00 1.09 O ATOM 1571 CB SER A 85 -11.880 8.722 -6.353 1.00 0.84 C ATOM 1572 OG SER A 85 -11.267 9.350 -5.236 1.00 1.21 O ATOM 0 H SER A 85 -10.046 6.327 -5.346 1.00 0.67 H new ATOM 0 HA SER A 85 -12.185 6.797 -5.415 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.451 9.113 -7.276 1.00 0.84 H new ATOM 0 HB3 SER A 85 -12.944 8.960 -6.370 1.00 0.84 H new ATOM 0 HG SER A 85 -11.399 10.319 -5.293 1.00 1.21 H new ATOM 1578 N THR A 86 -11.826 5.411 -7.923 1.00 0.67 N ATOM 1579 CA THR A 86 -12.397 4.673 -9.035 1.00 0.67 C ATOM 1580 C THR A 86 -12.409 3.187 -8.731 1.00 0.66 C ATOM 1581 O THR A 86 -11.707 2.722 -7.825 1.00 0.76 O ATOM 1582 CB THR A 86 -11.615 4.914 -10.338 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.210 4.816 -10.093 1.00 0.86 O ATOM 1584 CG2 THR A 86 -11.946 6.271 -10.934 1.00 0.93 C ATOM 0 H THR A 86 -11.005 4.975 -7.503 1.00 0.67 H new ATOM 0 HA THR A 86 -13.417 5.032 -9.172 1.00 0.67 H new ATOM 0 HB THR A 86 -11.909 4.148 -11.055 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.897 5.633 -9.652 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.378 6.413 -11.854 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.012 6.321 -11.154 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.685 7.054 -10.222 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.196 2.442 -9.490 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.240 1.001 -9.347 1.00 0.76 C ATOM 1594 C GLN A 87 -12.352 0.418 -10.416 1.00 0.66 C ATOM 1595 O GLN A 87 -12.594 0.644 -11.595 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.653 0.454 -9.555 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.760 1.294 -8.952 1.00 0.98 C ATOM 1598 CD GLN A 87 -15.724 1.350 -7.438 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.091 2.374 -6.896 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -16.288 0.491 -6.759 1.00 1.33 N flip ATOM 0 H GLN A 87 -13.813 2.815 -10.212 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.916 0.734 -8.341 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -14.834 0.355 -10.625 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.705 -0.548 -9.129 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.691 2.308 -9.346 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.723 0.893 -9.270 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -16.767 -0.286 -7.215 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -16.276 0.557 -5.741 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.319 -0.294 -10.035 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.423 -0.846 -11.028 1.00 0.53 C ATOM 1611 C HIS A 88 -9.719 -2.089 -10.525 1.00 0.49 C ATOM 1612 O HIS A 88 -9.796 -2.423 -9.344 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.417 0.207 -11.498 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.642 0.879 -10.412 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.586 0.286 -9.752 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.755 2.123 -9.898 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.088 1.142 -8.879 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.779 2.262 -8.952 1.00 0.97 N ATOM 0 H HIS A 88 -11.079 -0.503 -9.066 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.028 -1.145 -11.884 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.714 -0.266 -12.184 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.952 0.969 -12.065 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.482 2.869 -10.182 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.255 0.956 -8.217 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.612 3.098 -8.392 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.032 -2.761 -11.439 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.426 -4.044 -11.161 1.00 0.49 C ATOM 1629 C LYS A 89 -7.172 -3.879 -10.323 1.00 0.45 C ATOM 1630 O LYS A 89 -6.421 -2.910 -10.486 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.111 -4.762 -12.475 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.215 -3.966 -13.409 1.00 1.06 C ATOM 1633 CD LYS A 89 -6.964 -4.705 -14.709 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.155 -5.960 -14.469 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.015 -6.785 -15.694 1.00 1.49 N ATOM 0 H LYS A 89 -8.883 -2.427 -12.391 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.130 -4.649 -10.589 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -7.632 -5.715 -12.252 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.046 -4.988 -12.988 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.676 -3.002 -13.622 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.264 -3.763 -12.916 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.915 -4.964 -15.174 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -6.435 -4.054 -15.406 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -5.165 -5.687 -14.103 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.631 -6.552 -13.688 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.733 -7.751 -15.432 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.924 -6.815 -16.198 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -5.290 -6.368 -16.312 1.00 1.49 H new ATOM 1649 N ILE A 90 -6.970 -4.812 -9.414 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.823 -4.806 -8.531 1.00 0.35 C ATOM 1651 C ILE A 90 -5.277 -6.215 -8.350 1.00 0.34 C ATOM 1652 O ILE A 90 -6.019 -7.144 -8.043 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.189 -4.235 -7.147 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.557 -2.754 -7.261 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.044 -4.448 -6.171 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -6.826 -2.090 -5.934 1.00 0.54 C ATOM 0 H ILE A 90 -7.601 -5.600 -9.267 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.064 -4.173 -8.991 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.060 -4.766 -6.764 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.747 -2.226 -7.764 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.441 -2.656 -7.891 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.315 -4.040 -5.197 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.842 -5.515 -6.074 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.152 -3.942 -6.541 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.080 -1.043 -6.096 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.656 -2.592 -5.438 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -5.936 -2.155 -5.308 1.00 0.54 H new ATOM 1668 N THR A 91 -3.984 -6.372 -8.552 1.00 0.30 N ATOM 1669 CA THR A 91 -3.332 -7.638 -8.307 1.00 0.30 C ATOM 1670 C THR A 91 -2.414 -7.534 -7.097 1.00 0.28 C ATOM 1671 O THR A 91 -1.624 -6.597 -6.986 1.00 0.31 O ATOM 1672 CB THR A 91 -2.519 -8.093 -9.528 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.356 -8.109 -10.688 1.00 0.43 O ATOM 1674 CG2 THR A 91 -1.925 -9.476 -9.307 1.00 0.37 C ATOM 0 H THR A 91 -3.364 -5.634 -8.886 1.00 0.30 H new ATOM 0 HA THR A 91 -4.109 -8.377 -8.113 1.00 0.30 H new ATOM 0 HB THR A 91 -1.701 -7.388 -9.674 1.00 0.33 H new ATOM 0 HG1 THR A 91 -2.833 -8.398 -11.465 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.355 -9.772 -10.188 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.266 -9.455 -8.439 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.727 -10.194 -9.136 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.538 -8.492 -6.197 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.654 -8.587 -5.048 1.00 0.33 C ATOM 1684 C PHE A 92 -0.816 -9.835 -5.175 1.00 0.39 C ATOM 1685 O PHE A 92 -1.358 -10.919 -5.375 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.443 -8.629 -3.741 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.537 -7.303 -3.047 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.384 -6.319 -3.531 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.794 -7.043 -1.915 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.482 -5.097 -2.895 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.887 -5.825 -1.275 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.692 -4.849 -1.763 1.00 0.52 C ATOM 0 H PHE A 92 -3.249 -9.222 -6.240 1.00 0.30 H new ATOM 0 HA PHE A 92 -1.016 -7.703 -5.026 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.450 -8.993 -3.947 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.976 -9.348 -3.068 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.974 -6.510 -4.415 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -1.132 -7.802 -1.525 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.159 -4.341 -3.265 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.314 -5.647 -0.377 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.725 -3.883 -1.281 1.00 0.52 H new ATOM 1702 N ASP A 93 0.491 -9.696 -5.059 1.00 0.37 N ATOM 1703 CA ASP A 93 1.382 -10.833 -5.217 1.00 0.43 C ATOM 1704 C ASP A 93 2.761 -10.492 -4.683 1.00 0.36 C ATOM 1705 O ASP A 93 3.024 -9.353 -4.298 1.00 0.39 O ATOM 1706 CB ASP A 93 1.476 -11.258 -6.690 1.00 0.58 C ATOM 1707 CG ASP A 93 2.420 -10.396 -7.507 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.074 -9.224 -7.770 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.515 -10.873 -7.869 1.00 1.24 O ATOM 0 H ASP A 93 0.959 -8.812 -4.857 1.00 0.37 H new ATOM 0 HA ASP A 93 0.974 -11.668 -4.647 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.807 -12.295 -6.741 1.00 0.58 H new ATOM 0 HB3 ASP A 93 0.482 -11.219 -7.136 1.00 0.58 H new ATOM 1714 N LEU A 94 3.625 -11.488 -4.639 1.00 0.42 N ATOM 1715 CA LEU A 94 4.982 -11.305 -4.164 1.00 0.51 C ATOM 1716 C LEU A 94 5.947 -11.382 -5.332 1.00 0.56 C ATOM 1717 O LEU A 94 6.025 -12.403 -6.023 1.00 0.63 O ATOM 1718 CB LEU A 94 5.331 -12.368 -3.112 1.00 0.61 C ATOM 1719 CG LEU A 94 5.150 -11.945 -1.644 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.268 -11.015 -1.211 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.808 -11.267 -1.433 1.00 1.12 C ATOM 0 H LEU A 94 3.407 -12.441 -4.930 1.00 0.42 H new ATOM 0 HA LEU A 94 5.064 -10.323 -3.698 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.715 -13.248 -3.295 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.368 -12.669 -3.258 1.00 0.61 H new ATOM 0 HG LEU A 94 5.184 -12.848 -1.034 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.120 -10.728 -0.170 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.226 -11.525 -1.315 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.262 -10.123 -1.837 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.707 -10.979 -0.387 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.746 -10.379 -2.062 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.006 -11.956 -1.699 1.00 1.12 H new ATOM 1733 N LYS A 95 6.685 -10.308 -5.543 1.00 0.58 N ATOM 1734 CA LYS A 95 7.643 -10.243 -6.632 1.00 0.66 C ATOM 1735 C LYS A 95 8.955 -10.828 -6.150 1.00 0.69 C ATOM 1736 O LYS A 95 9.583 -11.644 -6.823 1.00 0.78 O ATOM 1737 CB LYS A 95 7.837 -8.793 -7.088 1.00 0.70 C ATOM 1738 CG LYS A 95 8.790 -8.636 -8.263 1.00 0.91 C ATOM 1739 CD LYS A 95 8.314 -9.418 -9.476 1.00 1.61 C ATOM 1740 CE LYS A 95 9.235 -9.226 -10.669 1.00 2.08 C ATOM 1741 NZ LYS A 95 8.773 -9.998 -11.850 1.00 3.03 N ATOM 0 H LYS A 95 6.639 -9.464 -4.972 1.00 0.58 H new ATOM 0 HA LYS A 95 7.275 -10.813 -7.485 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.868 -8.376 -7.361 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.211 -8.206 -6.249 1.00 0.70 H new ATOM 0 HG2 LYS A 95 8.879 -7.581 -8.521 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.784 -8.979 -7.975 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.259 -10.478 -9.226 1.00 1.61 H new ATOM 0 HD3 LYS A 95 7.306 -9.100 -9.741 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.285 -8.167 -10.923 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.245 -9.538 -10.403 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 9.426 -9.842 -12.644 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 8.749 -11.011 -11.615 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 7.819 -9.683 -12.119 1.00 3.03 H new ATOM 1755 N ASP A 96 9.347 -10.395 -4.967 1.00 0.65 N ATOM 1756 CA ASP A 96 10.495 -10.944 -4.269 1.00 0.70 C ATOM 1757 C ASP A 96 10.081 -11.206 -2.832 1.00 0.65 C ATOM 1758 O ASP A 96 9.075 -10.662 -2.381 1.00 0.60 O ATOM 1759 CB ASP A 96 11.675 -9.964 -4.289 1.00 0.76 C ATOM 1760 CG ASP A 96 12.167 -9.647 -5.686 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.713 -8.642 -6.268 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.019 -10.400 -6.206 1.00 1.79 O ATOM 0 H ASP A 96 8.875 -9.647 -4.459 1.00 0.65 H new ATOM 0 HA ASP A 96 10.815 -11.862 -4.761 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.377 -9.038 -3.797 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.497 -10.384 -3.708 1.00 0.76 H new ATOM 1767 N PRO A 97 10.841 -12.015 -2.081 1.00 0.73 N ATOM 1768 CA PRO A 97 10.511 -12.350 -0.689 1.00 0.76 C ATOM 1769 C PRO A 97 10.683 -11.152 0.243 1.00 0.66 C ATOM 1770 O PRO A 97 10.575 -11.273 1.463 1.00 0.73 O ATOM 1771 CB PRO A 97 11.510 -13.465 -0.335 1.00 0.91 C ATOM 1772 CG PRO A 97 12.088 -13.901 -1.641 1.00 0.98 C ATOM 1773 CD PRO A 97 12.076 -12.679 -2.509 1.00 0.87 C ATOM 0 HA PRO A 97 9.470 -12.653 -0.576 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.286 -13.099 0.337 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.013 -14.292 0.172 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.101 -14.283 -1.514 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.498 -14.703 -2.084 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.954 -12.054 -2.346 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.058 -12.931 -3.569 1.00 0.87 H new ATOM 1781 N ASN A 98 10.958 -10.000 -0.353 1.00 0.57 N ATOM 1782 CA ASN A 98 11.099 -8.754 0.381 1.00 0.55 C ATOM 1783 C ASN A 98 10.320 -7.647 -0.337 1.00 0.46 C ATOM 1784 O ASN A 98 10.536 -6.459 -0.104 1.00 0.50 O ATOM 1785 CB ASN A 98 12.585 -8.384 0.490 1.00 0.68 C ATOM 1786 CG ASN A 98 12.847 -7.187 1.391 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.130 -6.950 2.365 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.881 -6.424 1.072 1.00 1.91 N ATOM 0 H ASN A 98 11.089 -9.905 -1.360 1.00 0.57 H new ATOM 0 HA ASN A 98 10.695 -8.872 1.387 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.138 -9.243 0.870 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.972 -8.171 -0.506 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.107 -5.608 1.640 1.00 1.91 H new ATOM 0 HD22 ASN A 98 14.451 -6.652 0.258 1.00 1.91 H new ATOM 1795 N THR A 99 9.412 -8.042 -1.225 1.00 0.43 N ATOM 1796 CA THR A 99 8.658 -7.074 -2.013 1.00 0.39 C ATOM 1797 C THR A 99 7.287 -7.617 -2.436 1.00 0.33 C ATOM 1798 O THR A 99 7.185 -8.481 -3.310 1.00 0.37 O ATOM 1799 CB THR A 99 9.451 -6.647 -3.268 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.741 -6.151 -2.881 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.707 -5.569 -4.045 1.00 0.51 C ATOM 0 H THR A 99 9.182 -9.017 -1.416 1.00 0.43 H new ATOM 0 HA THR A 99 8.498 -6.207 -1.372 1.00 0.39 H new ATOM 0 HB THR A 99 9.567 -7.520 -3.910 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.241 -5.883 -3.680 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.288 -5.287 -4.923 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.736 -5.952 -4.360 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.564 -4.695 -3.409 1.00 0.51 H new ATOM 1809 N LEU A 100 6.244 -7.104 -1.791 1.00 0.28 N ATOM 1810 CA LEU A 100 4.861 -7.385 -2.174 1.00 0.26 C ATOM 1811 C LEU A 100 4.445 -6.346 -3.212 1.00 0.27 C ATOM 1812 O LEU A 100 4.733 -5.170 -3.041 1.00 0.34 O ATOM 1813 CB LEU A 100 3.960 -7.296 -0.927 1.00 0.28 C ATOM 1814 CG LEU A 100 2.563 -7.933 -1.010 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.887 -7.871 0.349 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.686 -7.240 -2.039 1.00 1.10 C ATOM 0 H LEU A 100 6.332 -6.481 -0.988 1.00 0.28 H new ATOM 0 HA LEU A 100 4.766 -8.386 -2.595 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.491 -7.759 -0.095 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.834 -6.242 -0.678 1.00 0.28 H new ATOM 0 HG LEU A 100 2.692 -8.970 -1.319 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.898 -8.324 0.284 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.487 -8.414 1.079 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.790 -6.831 0.660 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.708 -7.720 -2.066 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.567 -6.191 -1.769 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.153 -7.311 -3.022 1.00 1.10 H new ATOM 1828 N THR A 101 3.784 -6.750 -4.278 1.00 0.29 N ATOM 1829 CA THR A 101 3.411 -5.805 -5.316 1.00 0.31 C ATOM 1830 C THR A 101 1.896 -5.676 -5.459 1.00 0.30 C ATOM 1831 O THR A 101 1.173 -6.676 -5.480 1.00 0.31 O ATOM 1832 CB THR A 101 4.025 -6.214 -6.665 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.031 -7.645 -6.787 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.446 -5.684 -6.792 1.00 0.41 C ATOM 0 H THR A 101 3.496 -7.713 -4.449 1.00 0.29 H new ATOM 0 HA THR A 101 3.803 -4.833 -5.017 1.00 0.31 H new ATOM 0 HB THR A 101 3.419 -5.784 -7.463 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.190 -7.942 -7.192 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.862 -5.985 -7.754 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.436 -4.596 -6.725 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.059 -6.091 -5.988 1.00 0.41 H new ATOM 1842 N GLU A 102 1.429 -4.431 -5.522 1.00 0.31 N ATOM 1843 CA GLU A 102 0.037 -4.141 -5.831 1.00 0.33 C ATOM 1844 C GLU A 102 -0.053 -3.520 -7.219 1.00 0.35 C ATOM 1845 O GLU A 102 0.252 -2.336 -7.401 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.587 -3.179 -4.809 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.054 -2.874 -5.101 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.598 -1.686 -4.329 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -3.171 -1.888 -3.230 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -2.483 -0.550 -4.838 1.00 0.98 O ATOM 0 H GLU A 102 2.002 -3.603 -5.361 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.516 -5.080 -5.793 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.502 -3.611 -3.812 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.022 -2.247 -4.802 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.171 -2.686 -6.168 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.652 -3.754 -4.865 1.00 0.56 H new ATOM 1857 N THR A 103 -0.454 -4.311 -8.197 1.00 0.36 N ATOM 1858 CA THR A 103 -0.610 -3.817 -9.552 1.00 0.39 C ATOM 1859 C THR A 103 -2.046 -3.356 -9.761 1.00 0.39 C ATOM 1860 O THR A 103 -2.950 -4.175 -9.924 1.00 0.42 O ATOM 1861 CB THR A 103 -0.266 -4.910 -10.584 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.021 -5.471 -10.292 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.273 -4.347 -11.998 1.00 0.46 C ATOM 0 H THR A 103 -0.678 -5.299 -8.078 1.00 0.36 H new ATOM 0 HA THR A 103 0.075 -2.982 -9.695 1.00 0.39 H new ATOM 0 HB THR A 103 -1.025 -5.689 -10.520 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.232 -6.166 -10.950 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.027 -5.139 -12.706 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.262 -3.950 -12.227 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.465 -3.549 -12.076 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.262 -2.050 -9.737 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.610 -1.524 -9.849 1.00 0.45 C ATOM 1873 C HIS A 104 -3.795 -0.738 -11.143 1.00 0.40 C ATOM 1874 O HIS A 104 -3.171 0.306 -11.359 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.004 -0.699 -8.608 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.088 0.433 -8.243 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -3.485 1.754 -8.263 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -1.817 0.432 -7.777 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.499 2.514 -7.826 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -1.476 1.737 -7.525 1.00 1.69 N ATOM 0 H HIS A 104 -1.531 -1.345 -9.642 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.291 -2.374 -9.891 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -5.002 -0.292 -8.770 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.070 -1.374 -7.755 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -1.189 -0.434 -7.631 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -2.525 3.589 -7.731 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -0.577 2.055 -7.163 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.662 -1.273 -11.997 1.00 0.45 N ATOM 1890 CA ILE A 105 -4.916 -0.719 -13.319 1.00 0.52 C ATOM 1891 C ILE A 105 -6.357 -0.241 -13.443 1.00 0.54 C ATOM 1892 O ILE A 105 -7.292 -0.965 -13.092 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.644 -1.774 -14.416 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.145 -2.074 -14.495 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.195 -1.330 -15.772 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.789 -3.072 -15.568 1.00 0.75 C ATOM 0 H ILE A 105 -5.210 -2.108 -11.789 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.243 0.128 -13.452 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.167 -2.691 -14.146 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.606 -1.145 -14.680 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -2.807 -2.453 -13.531 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -4.985 -2.096 -16.518 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.272 -1.182 -15.696 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.721 -0.395 -16.069 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.712 -3.238 -15.568 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.301 -4.014 -15.373 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.097 -2.686 -16.540 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.524 0.991 -13.908 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.843 1.535 -14.218 1.00 0.63 C ATOM 1910 C LYS A 106 -8.553 0.678 -15.268 1.00 0.67 C ATOM 1911 O LYS A 106 -8.156 0.655 -16.428 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.711 2.963 -14.747 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.228 3.994 -13.736 1.00 0.81 C ATOM 1914 CD LYS A 106 -8.364 4.491 -12.859 1.00 1.05 C ATOM 1915 CE LYS A 106 -8.215 5.971 -12.524 1.00 1.47 C ATOM 1916 NZ LYS A 106 -7.019 6.262 -11.689 1.00 1.61 N ATOM 0 H LYS A 106 -5.755 1.639 -14.080 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.431 1.533 -13.300 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.022 2.957 -15.591 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.681 3.281 -15.130 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -6.450 3.555 -13.111 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.778 4.836 -14.261 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -9.314 4.327 -13.368 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.392 3.911 -11.937 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -8.152 6.543 -13.450 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -9.108 6.311 -12.000 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -7.110 7.210 -11.271 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -6.945 5.554 -10.930 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.165 6.226 -12.281 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.588 -0.039 -14.840 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.394 -0.854 -15.749 1.00 0.78 C ATOM 1932 C VAL A 107 -11.044 -0.014 -16.850 1.00 0.86 C ATOM 1933 O VAL A 107 -11.410 -0.533 -17.903 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.495 -1.630 -15.013 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -10.900 -2.690 -14.107 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.358 -0.673 -14.234 1.00 1.11 C ATOM 0 H VAL A 107 -9.891 -0.073 -13.866 1.00 0.70 H new ATOM 0 HA VAL A 107 -9.697 -1.562 -16.198 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.116 -2.141 -15.748 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -11.702 -3.225 -13.598 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.317 -3.392 -14.703 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.253 -2.216 -13.368 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.138 -1.228 -13.713 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.745 -0.140 -13.507 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.816 0.042 -14.917 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.190 1.280 -16.598 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.847 2.170 -17.544 1.00 1.00 C ATOM 1948 C ASP A 108 -10.822 2.874 -18.438 1.00 0.97 C ATOM 1949 O ASP A 108 -10.993 2.933 -19.655 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.709 3.185 -16.793 1.00 1.05 C ATOM 1951 CG ASP A 108 -13.473 4.112 -17.717 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.442 5.340 -17.488 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.117 3.622 -18.669 1.00 2.50 O ATOM 0 H ASP A 108 -10.862 1.736 -15.747 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.493 1.576 -18.191 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -13.415 2.653 -16.156 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.073 3.779 -16.137 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.754 3.396 -17.840 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.663 3.997 -18.605 1.00 0.92 C ATOM 1960 C ASP A 109 -7.332 3.474 -18.107 1.00 0.84 C ATOM 1961 O ASP A 109 -6.702 4.074 -17.237 1.00 0.85 O ATOM 1962 CB ASP A 109 -8.665 5.527 -18.517 1.00 1.03 C ATOM 1963 CG ASP A 109 -9.782 6.169 -19.308 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -10.719 6.707 -18.685 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -9.724 6.150 -20.555 1.00 1.94 O ATOM 0 H ASP A 109 -9.620 3.415 -16.829 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.814 3.720 -19.648 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.752 5.824 -17.472 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.709 5.906 -18.878 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.879 2.358 -18.682 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.660 1.664 -18.255 1.00 0.78 C ATOM 1972 C PRO A 110 -4.384 2.438 -18.579 1.00 0.86 C ATOM 1973 O PRO A 110 -3.296 1.868 -18.648 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.713 0.361 -19.046 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.507 0.688 -20.255 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.534 1.675 -19.808 1.00 0.83 C ATOM 0 HA PRO A 110 -5.628 1.531 -17.174 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.713 0.017 -19.310 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.182 -0.435 -18.467 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.875 1.108 -21.037 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -6.976 -0.205 -20.669 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.795 2.372 -20.604 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.457 1.184 -19.499 1.00 0.83 H new ATOM 1984 N THR A 111 -4.530 3.731 -18.801 1.00 0.93 N ATOM 1985 CA THR A 111 -3.402 4.610 -18.994 1.00 1.05 C ATOM 1986 C THR A 111 -2.877 5.101 -17.651 1.00 0.94 C ATOM 1987 O THR A 111 -1.682 5.351 -17.488 1.00 0.98 O ATOM 1988 CB THR A 111 -3.791 5.816 -19.870 1.00 1.30 C ATOM 1989 OG1 THR A 111 -4.867 6.544 -19.259 1.00 1.33 O ATOM 1990 CG2 THR A 111 -4.216 5.349 -21.251 1.00 1.47 C ATOM 0 H THR A 111 -5.436 4.197 -18.852 1.00 0.93 H new ATOM 0 HA THR A 111 -2.619 4.047 -19.501 1.00 1.05 H new ATOM 0 HB THR A 111 -2.923 6.468 -19.965 1.00 1.30 H new ATOM 0 HG1 THR A 111 -5.106 7.309 -19.823 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.488 6.212 -21.859 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.391 4.817 -21.725 1.00 1.47 H new ATOM 0 HG23 THR A 111 -5.074 4.683 -21.162 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.778 5.221 -16.675 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.421 5.746 -15.364 1.00 0.86 C ATOM 2000 C ASP A 112 -3.167 4.608 -14.371 1.00 0.79 C ATOM 2001 O ASP A 112 -3.766 4.544 -13.297 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.542 6.655 -14.857 1.00 1.05 C ATOM 2003 CG ASP A 112 -4.145 7.437 -13.625 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.620 7.094 -12.523 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -3.354 8.390 -13.754 1.00 1.40 O ATOM 0 H ASP A 112 -4.760 4.961 -16.771 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.501 6.323 -15.454 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.827 7.349 -15.647 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.421 6.051 -14.632 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.306 3.688 -14.755 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.950 2.574 -13.897 1.00 0.68 C ATOM 2012 C VAL A 113 -0.840 2.949 -12.926 1.00 0.60 C ATOM 2013 O VAL A 113 -0.247 4.021 -13.033 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.501 1.369 -14.729 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.556 1.022 -15.755 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.172 1.646 -15.401 1.00 1.23 C ATOM 0 H VAL A 113 -1.837 3.689 -15.661 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.842 2.313 -13.327 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.370 0.517 -14.062 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -2.226 0.164 -16.341 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.490 0.778 -15.248 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.714 1.874 -16.417 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.128 0.777 -15.987 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.270 2.510 -16.058 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.584 1.851 -14.643 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.588 2.071 -11.963 1.00 0.45 N ATOM 2027 CA GLU A 114 0.550 2.214 -11.063 1.00 0.47 C ATOM 2028 C GLU A 114 0.776 0.902 -10.322 1.00 0.44 C ATOM 2029 O GLU A 114 -0.116 0.051 -10.265 1.00 0.48 O ATOM 2030 CB GLU A 114 0.324 3.353 -10.057 1.00 0.64 C ATOM 2031 CG GLU A 114 1.506 4.313 -9.924 1.00 0.96 C ATOM 2032 CD GLU A 114 2.786 3.638 -9.466 1.00 1.94 C ATOM 2033 OE1 GLU A 114 3.411 2.917 -10.276 1.00 2.78 O ATOM 2034 OE2 GLU A 114 3.176 3.824 -8.296 1.00 2.10 O ATOM 0 H GLU A 114 -1.161 1.246 -11.784 1.00 0.45 H new ATOM 0 HA GLU A 114 1.431 2.460 -11.655 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.558 3.919 -10.358 1.00 0.64 H new ATOM 0 HB3 GLU A 114 0.108 2.922 -9.079 1.00 0.64 H new ATOM 0 HG2 GLU A 114 1.683 4.795 -10.886 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.247 5.100 -9.216 1.00 0.96 H new ATOM 2041 N THR A 115 1.964 0.736 -9.775 1.00 0.45 N ATOM 2042 CA THR A 115 2.293 -0.439 -8.997 1.00 0.45 C ATOM 2043 C THR A 115 2.953 -0.040 -7.682 1.00 0.44 C ATOM 2044 O THR A 115 4.037 0.542 -7.668 1.00 0.51 O ATOM 2045 CB THR A 115 3.231 -1.381 -9.777 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.683 -1.650 -11.076 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.434 -2.694 -9.032 1.00 0.53 C ATOM 0 H THR A 115 2.725 1.410 -9.858 1.00 0.45 H new ATOM 0 HA THR A 115 1.362 -0.968 -8.790 1.00 0.45 H new ATOM 0 HB THR A 115 4.197 -0.887 -9.879 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.284 -2.248 -11.567 1.00 0.53 H new ATOM 0 HG21 THR A 115 4.100 -3.339 -9.606 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.875 -2.494 -8.056 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.472 -3.190 -8.901 1.00 0.53 H new ATOM 2055 N TYR A 116 2.294 -0.356 -6.583 1.00 0.41 N ATOM 2056 CA TYR A 116 2.848 -0.088 -5.265 1.00 0.43 C ATOM 2057 C TYR A 116 3.668 -1.294 -4.852 1.00 0.38 C ATOM 2058 O TYR A 116 3.278 -2.423 -5.152 1.00 0.39 O ATOM 2059 CB TYR A 116 1.743 0.174 -4.240 1.00 0.54 C ATOM 2060 CG TYR A 116 0.893 1.398 -4.517 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.287 2.363 -5.438 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.306 1.589 -3.843 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.510 3.478 -5.678 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.089 2.701 -4.078 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.678 3.642 -4.995 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.456 4.749 -5.233 1.00 0.96 O ATOM 0 H TYR A 116 1.375 -0.798 -6.574 1.00 0.41 H new ATOM 0 HA TYR A 116 3.470 0.806 -5.305 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.093 -0.700 -4.197 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.199 0.281 -3.256 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.216 2.238 -5.974 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.632 0.854 -3.122 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.830 4.218 -6.396 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.019 2.832 -3.545 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.258 4.712 -4.672 1.00 0.96 H new ATOM 2076 N GLU A 117 4.791 -1.098 -4.174 1.00 0.37 N ATOM 2077 CA GLU A 117 5.682 -2.199 -3.872 1.00 0.35 C ATOM 2078 C GLU A 117 6.051 -2.124 -2.391 1.00 0.34 C ATOM 2079 O GLU A 117 6.649 -1.149 -1.943 1.00 0.44 O ATOM 2080 CB GLU A 117 6.948 -2.115 -4.735 1.00 0.44 C ATOM 2081 CG GLU A 117 6.667 -1.925 -6.221 1.00 0.92 C ATOM 2082 CD GLU A 117 7.926 -1.800 -7.054 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.383 -2.825 -7.603 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.461 -0.676 -7.178 1.00 1.18 O ATOM 0 H GLU A 117 5.101 -0.191 -3.826 1.00 0.37 H new ATOM 0 HA GLU A 117 5.188 -3.146 -4.089 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.563 -1.287 -4.382 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.531 -3.026 -4.598 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.081 -2.769 -6.584 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.058 -1.031 -6.358 1.00 0.92 H new ATOM 2091 N TYR A 118 5.663 -3.132 -1.639 1.00 0.29 N ATOM 2092 CA TYR A 118 5.870 -3.144 -0.200 1.00 0.29 C ATOM 2093 C TYR A 118 7.178 -3.848 0.146 1.00 0.31 C ATOM 2094 O TYR A 118 7.322 -5.050 -0.079 1.00 0.41 O ATOM 2095 CB TYR A 118 4.705 -3.851 0.496 1.00 0.32 C ATOM 2096 CG TYR A 118 3.346 -3.253 0.194 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.761 -2.317 1.043 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.645 -3.619 -0.944 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.532 -1.777 0.765 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.414 -3.076 -1.225 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.860 -2.160 -0.346 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.351 -1.610 -0.634 1.00 0.60 O ATOM 0 H TYR A 118 5.197 -3.964 -2.002 1.00 0.29 H new ATOM 0 HA TYR A 118 5.922 -2.112 0.147 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.702 -4.900 0.200 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.870 -3.825 1.573 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.285 -2.011 1.936 1.00 0.50 H new ATOM 0 HD2 TYR A 118 3.073 -4.343 -1.621 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.100 -1.046 1.432 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.884 -3.361 -2.122 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.695 -1.995 -1.467 1.00 0.60 H new ATOM 2112 N ARG A 119 8.121 -3.096 0.686 1.00 0.31 N ATOM 2113 CA ARG A 119 9.414 -3.645 1.062 1.00 0.35 C ATOM 2114 C ARG A 119 9.626 -3.505 2.567 1.00 0.35 C ATOM 2115 O ARG A 119 9.070 -2.613 3.196 1.00 0.42 O ATOM 2116 CB ARG A 119 10.530 -2.935 0.284 1.00 0.46 C ATOM 2117 CG ARG A 119 11.924 -3.465 0.580 1.00 1.14 C ATOM 2118 CD ARG A 119 12.949 -2.923 -0.402 1.00 1.30 C ATOM 2119 NE ARG A 119 13.084 -1.469 -0.319 1.00 1.83 N ATOM 2120 CZ ARG A 119 13.202 -0.669 -1.379 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.140 -1.165 -2.610 1.00 2.76 N ATOM 2122 NH2 ARG A 119 13.371 0.635 -1.205 1.00 3.41 N ATOM 0 H ARG A 119 8.016 -2.099 0.875 1.00 0.31 H new ATOM 0 HA ARG A 119 9.440 -4.705 0.811 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.334 -3.034 -0.784 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.500 -1.870 0.516 1.00 0.46 H new ATOM 0 HG2 ARG A 119 12.211 -3.190 1.595 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.917 -4.554 0.535 1.00 1.14 H new ATOM 0 HD2 ARG A 119 13.916 -3.387 -0.207 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.660 -3.201 -1.416 1.00 1.30 H new ATOM 0 HE ARG A 119 13.088 -1.041 0.607 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.001 -2.166 -2.750 1.00 2.76 H new ATOM 0 HH12 ARG A 119 13.231 -0.545 -3.415 1.00 2.76 H new ATOM 0 HH21 ARG A 119 13.410 1.023 -0.262 1.00 3.41 H new ATOM 0 HH22 ARG A 119 13.462 1.250 -2.014 1.00 3.41 H new ATOM 2136 N ARG A 120 10.406 -4.402 3.149 1.00 0.36 N ATOM 2137 CA ARG A 120 10.693 -4.348 4.574 1.00 0.41 C ATOM 2138 C ARG A 120 12.130 -3.909 4.825 1.00 0.46 C ATOM 2139 O ARG A 120 13.068 -4.439 4.228 1.00 0.63 O ATOM 2140 CB ARG A 120 10.442 -5.711 5.219 1.00 0.49 C ATOM 2141 CG ARG A 120 8.970 -6.027 5.425 1.00 1.06 C ATOM 2142 CD ARG A 120 8.388 -5.239 6.587 1.00 0.97 C ATOM 2143 NE ARG A 120 9.001 -5.621 7.860 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.519 -5.285 9.058 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.409 -4.564 9.157 1.00 1.62 N ATOM 2146 NH2 ARG A 120 9.152 -5.685 10.153 1.00 1.96 N ATOM 0 H ARG A 120 10.852 -5.176 2.657 1.00 0.36 H new ATOM 0 HA ARG A 120 10.026 -3.613 5.025 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.887 -6.486 4.595 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.951 -5.746 6.182 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.417 -5.797 4.515 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.848 -7.094 5.611 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.539 -4.173 6.416 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.312 -5.405 6.637 1.00 0.97 H new ATOM 0 HE ARG A 120 9.853 -6.181 7.829 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.919 -4.263 8.314 1.00 1.62 H new ATOM 0 HH12 ARG A 120 7.046 -4.311 10.076 1.00 1.62 H new ATOM 0 HH21 ARG A 120 10.001 -6.245 10.075 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.790 -5.432 11.072 1.00 1.96 H new ATOM 2160 N ASP A 121 12.295 -2.928 5.698 1.00 0.49 N ATOM 2161 CA ASP A 121 13.617 -2.462 6.097 1.00 0.59 C ATOM 2162 C ASP A 121 13.690 -2.398 7.615 1.00 0.66 C ATOM 2163 O ASP A 121 13.039 -1.559 8.241 1.00 1.08 O ATOM 2164 CB ASP A 121 13.916 -1.086 5.489 1.00 0.67 C ATOM 2165 CG ASP A 121 15.300 -0.570 5.842 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.267 -0.900 5.120 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.434 0.155 6.850 1.00 0.88 O ATOM 0 H ASP A 121 11.524 -2.434 6.148 1.00 0.49 H new ATOM 0 HA ASP A 121 14.367 -3.161 5.727 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.822 -1.146 4.405 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.169 -0.372 5.835 1.00 0.67 H new ATOM 2172 N GLY A 122 14.460 -3.306 8.201 1.00 0.73 N ATOM 2173 CA GLY A 122 14.524 -3.405 9.644 1.00 0.83 C ATOM 2174 C GLY A 122 13.240 -3.968 10.214 1.00 0.78 C ATOM 2175 O GLY A 122 13.007 -5.175 10.165 1.00 0.92 O ATOM 0 H GLY A 122 15.042 -3.977 7.700 1.00 0.73 H new ATOM 0 HA2 GLY A 122 15.361 -4.042 9.930 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.712 -2.420 10.070 1.00 0.83 H new ATOM 2179 N ASP A 123 12.402 -3.091 10.740 1.00 0.70 N ATOM 2180 CA ASP A 123 11.084 -3.481 11.223 1.00 0.78 C ATOM 2181 C ASP A 123 10.042 -2.480 10.732 1.00 0.64 C ATOM 2182 O ASP A 123 8.967 -2.320 11.311 1.00 0.75 O ATOM 2183 CB ASP A 123 11.084 -3.583 12.755 1.00 0.98 C ATOM 2184 CG ASP A 123 9.771 -4.100 13.315 1.00 1.67 C ATOM 2185 OD1 ASP A 123 9.254 -5.120 12.809 1.00 2.17 O ATOM 2186 OD2 ASP A 123 9.255 -3.498 14.279 1.00 2.31 O ATOM 0 H ASP A 123 12.611 -2.098 10.845 1.00 0.70 H new ATOM 0 HA ASP A 123 10.829 -4.464 10.828 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.892 -4.243 13.070 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.292 -2.601 13.179 1.00 0.98 H new ATOM 2191 N TYR A 124 10.367 -1.813 9.636 1.00 0.48 N ATOM 2192 CA TYR A 124 9.478 -0.822 9.055 1.00 0.36 C ATOM 2193 C TYR A 124 8.938 -1.305 7.721 1.00 0.33 C ATOM 2194 O TYR A 124 9.658 -1.940 6.941 1.00 0.39 O ATOM 2195 CB TYR A 124 10.212 0.507 8.861 1.00 0.32 C ATOM 2196 CG TYR A 124 10.615 1.177 10.155 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.783 0.816 10.814 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.824 2.170 10.718 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.148 1.424 11.998 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.185 2.785 11.902 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.348 2.408 12.538 1.00 0.56 C ATOM 2202 OH TYR A 124 11.713 3.014 13.720 1.00 0.67 O ATOM 0 H TYR A 124 11.243 -1.941 9.130 1.00 0.48 H new ATOM 0 HA TYR A 124 8.644 -0.672 9.741 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.104 0.334 8.259 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.573 1.185 8.296 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.415 0.048 10.394 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.911 2.467 10.222 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.058 1.130 12.500 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.559 3.556 12.326 1.00 0.58 H new ATOM 0 HH TYR A 124 11.043 3.686 13.964 1.00 0.67 H new ATOM 2212 N LEU A 125 7.669 -1.027 7.473 1.00 0.30 N ATOM 2213 CA LEU A 125 7.066 -1.271 6.180 1.00 0.30 C ATOM 2214 C LEU A 125 7.395 -0.088 5.281 1.00 0.27 C ATOM 2215 O LEU A 125 6.922 1.026 5.500 1.00 0.31 O ATOM 2216 CB LEU A 125 5.543 -1.454 6.348 1.00 0.36 C ATOM 2217 CG LEU A 125 4.737 -1.891 5.107 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.336 -0.694 4.249 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.524 -2.900 4.279 1.00 0.88 C ATOM 0 H LEU A 125 7.032 -0.627 8.162 1.00 0.30 H new ATOM 0 HA LEU A 125 7.456 -2.182 5.727 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.377 -2.191 7.133 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.128 -0.511 6.704 1.00 0.36 H new ATOM 0 HG LEU A 125 3.823 -2.368 5.461 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.770 -1.040 3.384 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.720 -0.014 4.838 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.231 -0.172 3.912 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.937 -3.194 3.409 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.460 -2.449 3.949 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.739 -3.780 4.886 1.00 0.88 H new ATOM 2231 N VAL A 126 8.217 -0.327 4.285 1.00 0.29 N ATOM 2232 CA VAL A 126 8.702 0.741 3.445 1.00 0.34 C ATOM 2233 C VAL A 126 7.961 0.727 2.126 1.00 0.36 C ATOM 2234 O VAL A 126 8.038 -0.238 1.362 1.00 0.43 O ATOM 2235 CB VAL A 126 10.218 0.645 3.195 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.686 1.802 2.325 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.975 0.625 4.516 1.00 0.47 C ATOM 0 H VAL A 126 8.564 -1.254 4.037 1.00 0.29 H new ATOM 0 HA VAL A 126 8.518 1.680 3.968 1.00 0.34 H new ATOM 0 HB VAL A 126 10.425 -0.286 2.668 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.760 1.720 2.157 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.166 1.771 1.368 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.468 2.745 2.826 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.045 0.557 4.321 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.765 1.540 5.070 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.658 -0.236 5.104 1.00 0.47 H new ATOM 2247 N MET A 127 7.224 1.786 1.883 1.00 0.38 N ATOM 2248 CA MET A 127 6.406 1.882 0.700 1.00 0.46 C ATOM 2249 C MET A 127 7.237 2.344 -0.480 1.00 0.33 C ATOM 2250 O MET A 127 7.858 3.405 -0.431 1.00 0.33 O ATOM 2251 CB MET A 127 5.264 2.853 0.958 1.00 0.65 C ATOM 2252 CG MET A 127 4.144 2.749 -0.049 1.00 0.87 C ATOM 2253 SD MET A 127 3.430 1.100 -0.094 1.00 1.08 S ATOM 2254 CE MET A 127 1.974 1.424 -1.067 1.00 0.66 C ATOM 0 H MET A 127 7.176 2.599 2.496 1.00 0.38 H new ATOM 0 HA MET A 127 5.997 0.900 0.463 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.863 2.672 1.955 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.655 3.871 0.951 1.00 0.65 H new ATOM 0 HG2 MET A 127 3.368 3.474 0.196 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.521 3.008 -1.038 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.390 0.509 -1.164 1.00 0.66 H new ATOM 0 HE2 MET A 127 1.371 2.188 -0.577 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.268 1.774 -2.057 1.00 0.66 H new ATOM 2264 N LYS A 128 7.247 1.556 -1.537 1.00 0.33 N ATOM 2265 CA LYS A 128 8.035 1.862 -2.712 1.00 0.35 C ATOM 2266 C LYS A 128 7.107 2.159 -3.884 1.00 0.35 C ATOM 2267 O LYS A 128 6.401 1.282 -4.376 1.00 0.44 O ATOM 2268 CB LYS A 128 8.979 0.688 -3.023 1.00 0.55 C ATOM 2269 CG LYS A 128 9.582 0.694 -4.421 1.00 0.82 C ATOM 2270 CD LYS A 128 10.336 1.978 -4.724 1.00 0.99 C ATOM 2271 CE LYS A 128 11.057 1.887 -6.060 1.00 1.42 C ATOM 2272 NZ LYS A 128 10.142 1.500 -7.175 1.00 2.20 N ATOM 0 H LYS A 128 6.712 0.690 -1.605 1.00 0.33 H new ATOM 0 HA LYS A 128 8.647 2.746 -2.531 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.790 0.692 -2.295 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.431 -0.244 -2.885 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.259 -0.154 -4.525 1.00 0.82 H new ATOM 0 HG3 LYS A 128 8.788 0.560 -5.156 1.00 0.82 H new ATOM 0 HD2 LYS A 128 9.640 2.817 -4.739 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.057 2.176 -3.931 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.517 2.849 -6.288 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.864 1.158 -5.986 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 10.683 1.435 -8.061 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 9.709 0.578 -6.965 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 9.396 2.217 -7.277 1.00 2.20 H new ATOM 2286 N MET A 129 7.089 3.415 -4.296 1.00 0.36 N ATOM 2287 CA MET A 129 6.239 3.857 -5.391 1.00 0.41 C ATOM 2288 C MET A 129 7.080 4.667 -6.365 1.00 0.35 C ATOM 2289 O MET A 129 8.046 5.309 -5.952 1.00 0.40 O ATOM 2290 CB MET A 129 5.087 4.703 -4.842 1.00 0.49 C ATOM 2291 CG MET A 129 4.301 4.009 -3.738 1.00 1.02 C ATOM 2292 SD MET A 129 3.371 5.158 -2.706 1.00 1.11 S ATOM 2293 CE MET A 129 2.179 5.789 -3.880 1.00 0.50 C ATOM 0 H MET A 129 7.659 4.154 -3.885 1.00 0.36 H new ATOM 0 HA MET A 129 5.815 2.997 -5.909 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.486 5.642 -4.459 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.409 4.954 -5.658 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.612 3.292 -4.185 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.989 3.442 -3.111 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.161 6.878 -3.831 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.458 5.476 -4.886 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.190 5.398 -3.640 1.00 0.50 H new ATOM 2303 N SER A 130 6.746 4.623 -7.644 1.00 0.34 N ATOM 2304 CA SER A 130 7.539 5.317 -8.649 1.00 0.33 C ATOM 2305 C SER A 130 6.747 5.546 -9.929 1.00 0.33 C ATOM 2306 O SER A 130 6.190 4.613 -10.500 1.00 0.38 O ATOM 2307 CB SER A 130 8.808 4.516 -8.943 1.00 0.39 C ATOM 2308 OG SER A 130 8.548 3.121 -8.896 1.00 1.06 O ATOM 0 H SER A 130 5.938 4.119 -8.010 1.00 0.34 H new ATOM 0 HA SER A 130 7.810 6.296 -8.254 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.193 4.785 -9.926 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.580 4.771 -8.217 1.00 0.39 H new ATOM 0 HG SER A 130 9.249 2.641 -9.384 1.00 1.06 H new ATOM 2314 N TRP A 131 6.713 6.789 -10.373 1.00 0.32 N ATOM 2315 CA TRP A 131 5.982 7.149 -11.579 1.00 0.34 C ATOM 2316 C TRP A 131 6.770 8.182 -12.370 1.00 0.34 C ATOM 2317 O TRP A 131 7.298 9.135 -11.797 1.00 0.33 O ATOM 2318 CB TRP A 131 4.597 7.681 -11.204 1.00 0.36 C ATOM 2319 CG TRP A 131 3.662 7.805 -12.366 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.151 8.955 -12.878 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.126 6.741 -13.157 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.321 8.678 -13.934 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.293 7.322 -14.130 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.269 5.350 -13.138 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.606 6.564 -15.073 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.590 4.598 -14.075 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.768 5.207 -15.032 1.00 0.76 C ATOM 0 H TRP A 131 7.184 7.570 -9.916 1.00 0.32 H new ATOM 0 HA TRP A 131 5.852 6.267 -12.206 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.153 7.018 -10.461 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.709 8.658 -10.734 1.00 0.36 H new ATOM 0 HD1 TRP A 131 3.367 9.946 -12.506 1.00 0.46 H new ATOM 0 HE1 TRP A 131 1.809 9.368 -14.483 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.900 4.873 -12.403 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 0.969 7.030 -15.810 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.694 3.523 -14.070 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.251 4.591 -15.753 1.00 0.76 H new ATOM 2338 N LYS A 132 6.858 7.971 -13.683 1.00 0.37 N ATOM 2339 CA LYS A 132 7.677 8.803 -14.563 1.00 0.40 C ATOM 2340 C LYS A 132 9.111 8.911 -14.046 1.00 0.39 C ATOM 2341 O LYS A 132 9.738 9.968 -14.124 1.00 0.42 O ATOM 2342 CB LYS A 132 7.071 10.203 -14.746 1.00 0.44 C ATOM 2343 CG LYS A 132 6.097 10.325 -15.915 1.00 0.68 C ATOM 2344 CD LYS A 132 4.886 9.427 -15.750 1.00 1.22 C ATOM 2345 CE LYS A 132 3.886 9.609 -16.884 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.449 9.213 -18.199 1.00 1.96 N ATOM 0 H LYS A 132 6.364 7.220 -14.165 1.00 0.37 H new ATOM 0 HA LYS A 132 7.696 8.314 -15.537 1.00 0.40 H new ATOM 0 HB2 LYS A 132 6.554 10.484 -13.828 1.00 0.44 H new ATOM 0 HB3 LYS A 132 7.880 10.919 -14.888 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.769 11.361 -16.006 1.00 0.68 H new ATOM 0 HG3 LYS A 132 6.611 10.071 -16.842 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.208 8.386 -15.713 1.00 1.22 H new ATOM 0 HD3 LYS A 132 4.400 9.644 -14.799 1.00 1.22 H new ATOM 0 HE2 LYS A 132 2.995 9.015 -16.679 1.00 1.43 H new ATOM 0 HE3 LYS A 132 3.572 10.652 -16.925 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.700 9.241 -18.920 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.209 9.872 -18.464 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.833 8.249 -18.136 1.00 1.96 H new ATOM 2360 N GLY A 133 9.621 7.807 -13.513 1.00 0.40 N ATOM 2361 CA GLY A 133 10.981 7.779 -13.006 1.00 0.42 C ATOM 2362 C GLY A 133 11.130 8.393 -11.622 1.00 0.40 C ATOM 2363 O GLY A 133 12.179 8.260 -10.993 1.00 0.53 O ATOM 0 H GLY A 133 9.114 6.926 -13.422 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.327 6.746 -12.975 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.630 8.311 -13.702 1.00 0.42 H new ATOM 2367 N VAL A 134 10.091 9.065 -11.144 1.00 0.35 N ATOM 2368 CA VAL A 134 10.144 9.692 -9.832 1.00 0.34 C ATOM 2369 C VAL A 134 9.714 8.701 -8.759 1.00 0.36 C ATOM 2370 O VAL A 134 8.533 8.370 -8.637 1.00 0.40 O ATOM 2371 CB VAL A 134 9.255 10.948 -9.746 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.421 11.619 -8.392 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.578 11.921 -10.868 1.00 0.43 C ATOM 0 H VAL A 134 9.209 9.189 -11.641 1.00 0.35 H new ATOM 0 HA VAL A 134 11.177 10.000 -9.669 1.00 0.34 H new ATOM 0 HB VAL A 134 8.216 10.640 -9.858 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.788 12.505 -8.345 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.132 10.924 -7.604 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.462 11.910 -8.255 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.937 12.799 -10.784 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.622 12.226 -10.796 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.407 11.437 -11.830 1.00 0.43 H new ATOM 2383 N SER A 135 10.679 8.206 -8.006 1.00 0.38 N ATOM 2384 CA SER A 135 10.412 7.255 -6.963 1.00 0.42 C ATOM 2385 C SER A 135 10.200 7.952 -5.625 1.00 0.40 C ATOM 2386 O SER A 135 10.723 9.040 -5.383 1.00 0.51 O ATOM 2387 CB SER A 135 11.576 6.283 -6.863 1.00 0.50 C ATOM 2388 OG SER A 135 12.077 5.959 -8.152 1.00 1.14 O ATOM 0 H SER A 135 11.663 8.456 -8.106 1.00 0.38 H new ATOM 0 HA SER A 135 9.498 6.715 -7.208 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.370 6.721 -6.259 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.254 5.374 -6.355 1.00 0.50 H new ATOM 0 HG SER A 135 12.826 5.334 -8.064 1.00 1.14 H new ATOM 2394 N THR A 136 9.414 7.320 -4.785 1.00 0.35 N ATOM 2395 CA THR A 136 9.165 7.794 -3.438 1.00 0.34 C ATOM 2396 C THR A 136 9.150 6.610 -2.480 1.00 0.31 C ATOM 2397 O THR A 136 8.822 5.485 -2.874 1.00 0.34 O ATOM 2398 CB THR A 136 7.830 8.574 -3.350 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.552 8.954 -1.998 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.673 7.747 -3.883 1.00 0.39 C ATOM 0 H THR A 136 8.924 6.456 -5.016 1.00 0.35 H new ATOM 0 HA THR A 136 9.965 8.480 -3.160 1.00 0.34 H new ATOM 0 HB THR A 136 7.937 9.469 -3.963 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.395 9.094 -1.518 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.750 8.322 -3.808 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.858 7.493 -4.927 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.580 6.832 -3.298 1.00 0.39 H new ATOM 2408 N SER A 137 9.542 6.851 -1.241 1.00 0.33 N ATOM 2409 CA SER A 137 9.569 5.804 -0.238 1.00 0.32 C ATOM 2410 C SER A 137 9.014 6.319 1.080 1.00 0.31 C ATOM 2411 O SER A 137 9.724 6.950 1.863 1.00 0.40 O ATOM 2412 CB SER A 137 10.997 5.291 -0.056 1.00 0.39 C ATOM 2413 OG SER A 137 11.547 4.897 -1.304 1.00 0.79 O ATOM 0 H SER A 137 9.846 7.765 -0.906 1.00 0.33 H new ATOM 0 HA SER A 137 8.942 4.978 -0.573 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.615 6.070 0.391 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.001 4.446 0.633 1.00 0.39 H new ATOM 0 HG SER A 137 12.462 4.572 -1.170 1.00 0.79 H new ATOM 2419 N ARG A 138 7.732 6.071 1.308 1.00 0.35 N ATOM 2420 CA ARG A 138 7.100 6.469 2.553 1.00 0.44 C ATOM 2421 C ARG A 138 7.459 5.462 3.633 1.00 0.39 C ATOM 2422 O ARG A 138 7.450 4.252 3.386 1.00 0.43 O ATOM 2423 CB ARG A 138 5.579 6.552 2.404 1.00 0.63 C ATOM 2424 CG ARG A 138 5.122 7.175 1.097 1.00 1.08 C ATOM 2425 CD ARG A 138 3.664 7.593 1.163 1.00 0.88 C ATOM 2426 NE ARG A 138 3.500 8.868 1.858 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.355 9.303 2.371 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.278 8.529 2.351 1.00 1.84 N ATOM 2429 NH2 ARG A 138 2.293 10.509 2.923 1.00 1.63 N ATOM 0 H ARG A 138 7.113 5.598 0.649 1.00 0.35 H new ATOM 0 HA ARG A 138 7.462 7.460 2.827 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.161 5.549 2.483 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.174 7.132 3.233 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.741 8.043 0.870 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.261 6.462 0.284 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.262 7.674 0.153 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.087 6.823 1.674 1.00 0.88 H new ATOM 0 HE ARG A 138 4.321 9.465 1.956 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.328 7.596 1.941 1.00 1.84 H new ATOM 0 HH12 ARG A 138 0.400 8.866 2.746 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.124 11.100 2.952 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.414 10.845 3.318 1.00 1.63 H new ATOM 2443 N TYR A 139 7.782 5.948 4.815 1.00 0.39 N ATOM 2444 CA TYR A 139 8.233 5.078 5.882 1.00 0.36 C ATOM 2445 C TYR A 139 7.117 4.792 6.869 1.00 0.34 C ATOM 2446 O TYR A 139 6.727 5.653 7.667 1.00 0.39 O ATOM 2447 CB TYR A 139 9.448 5.677 6.584 1.00 0.42 C ATOM 2448 CG TYR A 139 10.690 5.651 5.726 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.053 6.766 4.985 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.503 4.526 5.665 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.191 6.765 4.207 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.644 4.515 4.887 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.962 5.571 4.133 1.00 0.56 C ATOM 2454 OH TYR A 139 14.119 5.639 3.389 1.00 0.64 O ATOM 0 H TYR A 139 7.741 6.937 5.060 1.00 0.39 H new ATOM 0 HA TYR A 139 8.529 4.127 5.440 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.228 6.707 6.866 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.637 5.127 7.506 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.433 7.650 5.018 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.239 3.647 6.234 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.491 7.650 3.666 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.285 3.645 4.888 1.00 0.56 H new ATOM 0 HH TYR A 139 14.570 4.769 3.405 1.00 0.64 H new ATOM 2464 N TYR A 140 6.610 3.577 6.797 1.00 0.29 N ATOM 2465 CA TYR A 140 5.544 3.136 7.668 1.00 0.27 C ATOM 2466 C TYR A 140 6.105 2.236 8.756 1.00 0.29 C ATOM 2467 O TYR A 140 6.924 1.360 8.494 1.00 0.37 O ATOM 2468 CB TYR A 140 4.468 2.387 6.874 1.00 0.27 C ATOM 2469 CG TYR A 140 3.732 3.243 5.867 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.762 4.158 6.266 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.013 3.139 4.513 1.00 0.45 C ATOM 2472 CE1 TYR A 140 2.093 4.937 5.339 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.351 3.914 3.587 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.371 4.826 4.030 1.00 0.48 C ATOM 2475 OH TYR A 140 1.725 5.577 3.072 1.00 0.60 O ATOM 0 H TYR A 140 6.926 2.870 6.133 1.00 0.29 H new ATOM 0 HA TYR A 140 5.086 4.013 8.125 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.933 1.551 6.352 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.745 1.964 7.572 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.528 4.261 7.315 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.764 2.438 4.179 1.00 0.45 H new ATOM 0 HE1 TYR A 140 1.342 5.639 5.670 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.579 3.824 2.535 1.00 0.52 H new ATOM 0 HH TYR A 140 1.401 4.988 2.358 1.00 0.60 H new ATOM 2485 N LYS A 141 5.668 2.460 9.972 1.00 0.37 N ATOM 2486 CA LYS A 141 6.055 1.618 11.085 1.00 0.48 C ATOM 2487 C LYS A 141 4.827 0.882 11.558 1.00 0.45 C ATOM 2488 O LYS A 141 3.740 1.217 11.133 1.00 0.54 O ATOM 2489 CB LYS A 141 6.609 2.436 12.225 1.00 0.69 C ATOM 2490 CG LYS A 141 5.577 3.328 12.863 1.00 0.72 C ATOM 2491 CD LYS A 141 6.040 3.772 14.220 1.00 0.97 C ATOM 2492 CE LYS A 141 7.382 4.458 14.104 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.931 4.862 15.422 1.00 1.92 N ATOM 0 H LYS A 141 5.039 3.224 10.220 1.00 0.37 H new ATOM 0 HA LYS A 141 6.832 0.927 10.758 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.019 1.766 12.980 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.434 3.047 11.859 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.397 4.197 12.230 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.630 2.795 12.951 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.310 4.452 14.659 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.117 2.913 14.887 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.087 3.789 13.610 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.282 5.339 13.470 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.696 5.552 15.282 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.177 5.292 15.995 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.305 4.025 15.914 1.00 1.92 H new ATOM 2507 N LYS A 142 4.980 -0.111 12.410 1.00 0.44 N ATOM 2508 CA LYS A 142 3.825 -0.730 13.061 1.00 0.43 C ATOM 2509 C LYS A 142 2.978 0.340 13.785 1.00 0.36 C ATOM 2510 O LYS A 142 3.370 1.500 13.877 1.00 0.34 O ATOM 2511 CB LYS A 142 4.311 -1.796 14.049 1.00 0.54 C ATOM 2512 CG LYS A 142 3.265 -2.833 14.423 1.00 0.87 C ATOM 2513 CD LYS A 142 3.844 -3.877 15.367 1.00 1.30 C ATOM 2514 CE LYS A 142 2.858 -4.998 15.654 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.500 -5.754 14.427 1.00 2.13 N ATOM 0 H LYS A 142 5.882 -0.510 12.672 1.00 0.44 H new ATOM 0 HA LYS A 142 3.196 -1.204 12.307 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.172 -2.306 13.618 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.655 -1.301 14.957 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.414 -2.342 14.896 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.892 -3.320 13.522 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.751 -4.296 14.931 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.131 -3.399 16.303 1.00 1.30 H new ATOM 0 HE2 LYS A 142 3.289 -5.680 16.387 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.955 -4.581 16.099 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.055 -6.656 14.692 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 1.835 -5.194 13.856 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.359 -5.942 13.872 1.00 2.13 H new ATOM 2529 N GLN A 143 1.766 -0.003 14.176 1.00 0.44 N ATOM 2530 CA GLN A 143 1.014 0.840 15.098 1.00 0.53 C ATOM 2531 C GLN A 143 1.548 0.705 16.520 1.00 0.68 C ATOM 2532 O GLN A 143 1.058 -0.175 17.258 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.469 0.473 15.062 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.195 0.964 13.829 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.573 2.422 13.917 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.835 2.948 14.997 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.585 3.088 12.785 1.00 1.28 N ATOM 2538 OXT GLN A 143 2.452 1.480 16.894 1.00 1.19 O ATOM 0 H GLN A 143 1.281 -0.849 13.876 1.00 0.44 H new ATOM 0 HA GLN A 143 1.133 1.876 14.782 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.566 -0.611 15.120 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.956 0.885 15.946 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.563 0.809 12.955 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.095 0.368 13.681 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.361 2.612 11.911 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -1.818 4.081 12.780 1.00 1.28 H new