USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 878 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 94 CYS SG : rot 32:sc= 1.58 USER MOD Set 1.2: A 104 TYR OH : rot 138:sc= 0.162 USER MOD Set 2.1: A 62 MET CE :methyl -118:sc= 0 (180deg=-0.0425) USER MOD Set 2.2: A 88 MET CE :methyl -133:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 TYR OH : rot 0:sc= -0.132 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -140:sc= -2.17! (180deg=-4.43!) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.514 K(o=-1.5,f=-2.9!) USER MOD Set 4.2: A 71 MET CE :methyl 160:sc= -0.334 (180deg=-0.763) USER MOD Set 4.3: A 72 MET CE :methyl -132:sc= -0.676 (180deg=0) USER MOD Set 5.1: A 17 GLN : amide:sc= 0 K(o=-0.06,f=-1.7) USER MOD Set 5.2: A 74 ASN : amide:sc= -0.0596 K(o=-0.06,f=-1.6) USER MOD Single : A 16 MET CE :methyl -133:sc= -2.41 (180deg=-7.35!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= -0.104 (180deg=-0.509) USER MOD Single : A 29 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.7) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.0385 (180deg=-0.283) USER MOD Single : A 39 SER OG : rot 130:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 130:sc= -0.703 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.384 USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0662 (180deg=-0.441) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 159:sc= -0.508 (180deg=-1.62!) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc=-0.00475 (180deg=-0.0836) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.064) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -170:sc= 0.327 USER MOD Single : A 77 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -170:sc= -0.125 (180deg=-0.196) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -2.16 K(o=-2.2,f=-4.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -3.77 K(o=-3.8,f=-5) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.0196 (180deg=-0.223) USER MOD Single : A 111 HIS : no HE2:sc= -0.0503 K(o=-0.05,f=-0.75) USER MOD Single : A 112 LYS NZ :NH3+ -116:sc= 0.106 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -45:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -5.901 18.949 2.933 1.00 0.00 N ATOM 196 CA PRO A 15 -7.139 18.188 3.122 1.00 0.00 C ATOM 197 C PRO A 15 -7.058 16.789 2.519 1.00 0.00 C ATOM 198 O PRO A 15 -7.839 15.906 2.869 1.00 0.00 O ATOM 199 CB PRO A 15 -8.187 19.027 2.386 1.00 0.00 C ATOM 200 CG PRO A 15 -7.414 19.786 1.364 1.00 0.00 C ATOM 201 CD PRO A 15 -6.068 20.057 1.978 1.00 0.00 C ATOM 0 HA PRO A 15 -7.363 18.030 4.177 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.944 18.396 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.707 19.699 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.314 19.210 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.919 20.717 1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.278 20.063 1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.041 21.026 2.477 1.00 0.00 H new ATOM 209 N MET A 16 -6.107 16.596 1.611 1.00 0.00 N ATOM 210 CA MET A 16 -5.923 15.304 0.961 1.00 0.00 C ATOM 211 C MET A 16 -5.336 14.285 1.932 1.00 0.00 C ATOM 212 O MET A 16 -5.281 13.092 1.635 1.00 0.00 O ATOM 213 CB MET A 16 -5.010 15.447 -0.259 1.00 0.00 C ATOM 214 CG MET A 16 -3.547 15.652 0.098 1.00 0.00 C ATOM 215 SD MET A 16 -2.428 14.980 -1.146 1.00 0.00 S ATOM 216 CE MET A 16 -3.023 13.295 -1.261 1.00 0.00 C ATOM 0 H MET A 16 -5.452 17.317 1.309 1.00 0.00 H new ATOM 0 HA MET A 16 -6.900 14.948 0.635 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.103 14.555 -0.879 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.350 16.290 -0.861 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.352 16.718 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.342 15.180 1.059 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.178 12.608 -1.226 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.693 13.088 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.560 13.162 -2.200 1.00 0.00 H new ATOM 226 N GLN A 17 -4.899 14.764 3.092 1.00 0.00 N ATOM 227 CA GLN A 17 -4.315 13.894 4.106 1.00 0.00 C ATOM 228 C GLN A 17 -5.376 12.990 4.725 1.00 0.00 C ATOM 229 O GLN A 17 -5.055 12.017 5.407 1.00 0.00 O ATOM 230 CB GLN A 17 -3.640 14.727 5.197 1.00 0.00 C ATOM 231 CG GLN A 17 -2.720 13.920 6.098 1.00 0.00 C ATOM 232 CD GLN A 17 -2.217 14.718 7.284 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.086 15.205 7.285 1.00 0.00 O ATOM 234 NE2 GLN A 17 -3.056 14.857 8.304 1.00 0.00 N ATOM 0 H GLN A 17 -4.938 15.749 3.353 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.566 13.267 3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.066 15.527 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.408 15.201 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.251 13.039 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.869 13.565 5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.984 14.437 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.772 15.384 9.130 1.00 0.00 H new ATOM 243 N GLN A 18 -6.641 13.318 4.481 1.00 0.00 N ATOM 244 CA GLN A 18 -7.749 12.536 5.015 1.00 0.00 C ATOM 245 C GLN A 18 -7.944 11.252 4.216 1.00 0.00 C ATOM 246 O GLN A 18 -8.173 10.183 4.783 1.00 0.00 O ATOM 247 CB GLN A 18 -9.037 13.360 5.000 1.00 0.00 C ATOM 248 CG GLN A 18 -9.833 13.222 3.712 1.00 0.00 C ATOM 249 CD GLN A 18 -11.147 13.978 3.754 1.00 0.00 C ATOM 250 OE1 GLN A 18 -12.024 13.678 4.564 1.00 0.00 O ATOM 251 NE2 GLN A 18 -11.289 14.967 2.878 1.00 0.00 N ATOM 0 H GLN A 18 -6.923 14.120 3.917 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.509 12.269 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.663 13.055 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.788 14.410 5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.234 13.588 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.031 12.167 3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.536 15.181 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.151 15.512 2.859 1.00 0.00 H new ATOM 260 N LYS A 19 -7.853 11.363 2.895 1.00 0.00 N ATOM 261 CA LYS A 19 -8.019 10.212 2.016 1.00 0.00 C ATOM 262 C LYS A 19 -6.923 9.179 2.260 1.00 0.00 C ATOM 263 O LYS A 19 -7.203 8.033 2.613 1.00 0.00 O ATOM 264 CB LYS A 19 -8.000 10.655 0.551 1.00 0.00 C ATOM 265 CG LYS A 19 -9.373 11.006 0.004 1.00 0.00 C ATOM 266 CD LYS A 19 -10.085 9.779 -0.542 1.00 0.00 C ATOM 267 CE LYS A 19 -9.651 9.471 -1.967 1.00 0.00 C ATOM 268 NZ LYS A 19 -10.062 10.542 -2.916 1.00 0.00 N ATOM 0 H LYS A 19 -7.665 12.240 2.409 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.983 9.753 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.346 11.521 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.569 9.858 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.976 11.457 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.272 11.751 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.875 8.921 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.163 9.940 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.568 9.353 -1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.084 8.521 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.128 10.148 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.988 10.921 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.357 11.306 -2.903 1.00 0.00 H new ATOM 282 N LEU A 20 -5.675 9.593 2.070 1.00 0.00 N ATOM 283 CA LEU A 20 -4.535 8.704 2.271 1.00 0.00 C ATOM 284 C LEU A 20 -4.792 7.742 3.427 1.00 0.00 C ATOM 285 O LEU A 20 -4.353 6.593 3.401 1.00 0.00 O ATOM 286 CB LEU A 20 -3.269 9.518 2.542 1.00 0.00 C ATOM 287 CG LEU A 20 -2.539 10.053 1.310 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.614 11.198 1.693 1.00 0.00 C ATOM 289 CD2 LEU A 20 -1.758 8.940 0.627 1.00 0.00 C ATOM 0 H LEU A 20 -5.426 10.538 1.777 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.396 8.121 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.533 10.363 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.576 8.897 3.109 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.282 10.432 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.103 11.566 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.198 12.005 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.877 10.845 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.245 9.339 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.025 8.530 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.444 8.152 0.317 1.00 0.00 H new ATOM 301 N ASN A 21 -5.509 8.220 4.439 1.00 0.00 N ATOM 302 CA ASN A 21 -5.827 7.402 5.604 1.00 0.00 C ATOM 303 C ASN A 21 -7.057 6.539 5.344 1.00 0.00 C ATOM 304 O ASN A 21 -7.008 5.316 5.473 1.00 0.00 O ATOM 305 CB ASN A 21 -6.062 8.290 6.828 1.00 0.00 C ATOM 306 CG ASN A 21 -5.951 7.521 8.130 1.00 0.00 C ATOM 307 OD1 ASN A 21 -6.403 6.380 8.231 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.348 8.144 9.136 1.00 0.00 N ATOM 0 H ASN A 21 -5.881 9.169 4.476 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.979 6.745 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.337 9.104 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.051 8.743 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.245 7.677 10.037 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.988 9.090 9.008 1.00 0.00 H new ATOM 315 N GLU A 22 -8.159 7.185 4.976 1.00 0.00 N ATOM 316 CA GLU A 22 -9.403 6.476 4.698 1.00 0.00 C ATOM 317 C GLU A 22 -9.149 5.259 3.812 1.00 0.00 C ATOM 318 O GLU A 22 -9.529 4.139 4.153 1.00 0.00 O ATOM 319 CB GLU A 22 -10.409 7.410 4.023 1.00 0.00 C ATOM 320 CG GLU A 22 -10.894 8.534 4.923 1.00 0.00 C ATOM 321 CD GLU A 22 -11.879 9.454 4.228 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.435 10.288 3.410 1.00 0.00 O ATOM 323 OE2 GLU A 22 -13.092 9.341 4.501 1.00 0.00 O ATOM 0 H GLU A 22 -8.216 8.197 4.863 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.816 6.134 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.951 7.841 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.267 6.826 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.364 8.108 5.809 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.038 9.116 5.265 1.00 0.00 H new ATOM 330 N VAL A 23 -8.504 5.488 2.672 1.00 0.00 N ATOM 331 CA VAL A 23 -8.198 4.412 1.737 1.00 0.00 C ATOM 332 C VAL A 23 -7.394 3.308 2.414 1.00 0.00 C ATOM 333 O VAL A 23 -7.705 2.125 2.275 1.00 0.00 O ATOM 334 CB VAL A 23 -7.411 4.933 0.520 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.980 3.778 -0.371 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.243 5.939 -0.261 1.00 0.00 C ATOM 0 H VAL A 23 -8.183 6.409 2.374 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.151 4.007 1.397 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.514 5.438 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.425 4.165 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.344 3.098 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.861 3.242 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.672 6.297 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.159 5.461 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.496 6.781 0.384 1.00 0.00 H new ATOM 346 N TYR A 24 -6.359 3.702 3.148 1.00 0.00 N ATOM 347 CA TYR A 24 -5.508 2.745 3.845 1.00 0.00 C ATOM 348 C TYR A 24 -6.335 1.849 4.762 1.00 0.00 C ATOM 349 O TYR A 24 -6.263 0.623 4.679 1.00 0.00 O ATOM 350 CB TYR A 24 -4.440 3.479 4.658 1.00 0.00 C ATOM 351 CG TYR A 24 -3.600 2.564 5.519 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.575 1.805 4.967 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.831 2.457 6.885 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.805 0.966 5.750 1.00 0.00 C ATOM 355 CE2 TYR A 24 -3.065 1.622 7.676 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.054 0.879 7.104 1.00 0.00 C ATOM 357 OH TYR A 24 -1.289 0.046 7.888 1.00 0.00 O ATOM 0 H TYR A 24 -6.089 4.677 3.276 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.020 2.119 3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.787 4.024 3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.925 4.219 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.377 1.872 3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.623 3.036 7.336 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.013 0.382 5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.257 1.552 8.736 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.621 -0.405 7.331 1.00 0.00 H new ATOM 367 N GLU A 25 -7.120 2.471 5.637 1.00 0.00 N ATOM 368 CA GLU A 25 -7.960 1.730 6.570 1.00 0.00 C ATOM 369 C GLU A 25 -8.942 0.832 5.823 1.00 0.00 C ATOM 370 O GLU A 25 -9.114 -0.338 6.164 1.00 0.00 O ATOM 371 CB GLU A 25 -8.724 2.694 7.480 1.00 0.00 C ATOM 372 CG GLU A 25 -7.937 3.126 8.706 1.00 0.00 C ATOM 373 CD GLU A 25 -8.832 3.547 9.855 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.659 2.722 10.297 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.705 4.702 10.313 1.00 0.00 O ATOM 0 H GLU A 25 -7.191 3.485 5.719 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.312 1.101 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.002 3.578 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.651 2.219 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.297 2.305 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.281 3.955 8.439 1.00 0.00 H new ATOM 382 N ALA A 26 -9.585 1.390 4.802 1.00 0.00 N ATOM 383 CA ALA A 26 -10.549 0.641 4.005 1.00 0.00 C ATOM 384 C ALA A 26 -10.036 -0.763 3.700 1.00 0.00 C ATOM 385 O ALA A 26 -10.777 -1.741 3.801 1.00 0.00 O ATOM 386 CB ALA A 26 -10.858 1.384 2.714 1.00 0.00 C ATOM 0 H ALA A 26 -9.456 2.358 4.508 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.467 0.546 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.579 0.813 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.275 2.363 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.941 1.509 2.138 1.00 0.00 H new ATOM 392 N VAL A 27 -8.764 -0.855 3.325 1.00 0.00 N ATOM 393 CA VAL A 27 -8.152 -2.139 3.006 1.00 0.00 C ATOM 394 C VAL A 27 -8.000 -3.001 4.253 1.00 0.00 C ATOM 395 O VAL A 27 -8.197 -4.216 4.210 1.00 0.00 O ATOM 396 CB VAL A 27 -6.770 -1.955 2.351 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.140 -3.305 2.044 1.00 0.00 C ATOM 398 CG2 VAL A 27 -6.887 -1.112 1.090 1.00 0.00 C ATOM 0 H VAL A 27 -8.137 -0.055 3.235 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.816 -2.639 2.301 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.121 -1.430 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.164 -3.155 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.020 -3.869 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.783 -3.860 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.902 -0.992 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.551 -1.607 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.292 -0.132 1.344 1.00 0.00 H new ATOM 408 N LYS A 28 -7.650 -2.365 5.366 1.00 0.00 N ATOM 409 CA LYS A 28 -7.473 -3.073 6.629 1.00 0.00 C ATOM 410 C LYS A 28 -8.789 -3.686 7.098 1.00 0.00 C ATOM 411 O LYS A 28 -8.860 -4.879 7.386 1.00 0.00 O ATOM 412 CB LYS A 28 -6.931 -2.122 7.698 1.00 0.00 C ATOM 413 CG LYS A 28 -5.416 -2.008 7.700 1.00 0.00 C ATOM 414 CD LYS A 28 -4.944 -0.867 8.585 1.00 0.00 C ATOM 415 CE LYS A 28 -4.706 -1.330 10.014 1.00 0.00 C ATOM 416 NZ LYS A 28 -3.314 -1.817 10.215 1.00 0.00 N ATOM 0 H LYS A 28 -7.483 -1.360 5.419 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.755 -3.877 6.469 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.361 -1.132 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.262 -2.464 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.980 -2.944 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.061 -1.851 6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.023 -0.448 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.687 -0.070 8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.905 -0.507 10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.408 -2.127 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.326 -2.661 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.895 -2.059 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.748 -1.072 10.668 1.00 0.00 H new ATOM 430 N ASN A 29 -9.828 -2.860 7.171 1.00 0.00 N ATOM 431 CA ASN A 29 -11.142 -3.322 7.605 1.00 0.00 C ATOM 432 C ASN A 29 -11.676 -4.400 6.667 1.00 0.00 C ATOM 433 O ASN A 29 -12.207 -5.418 7.112 1.00 0.00 O ATOM 434 CB ASN A 29 -12.123 -2.150 7.664 1.00 0.00 C ATOM 435 CG ASN A 29 -11.703 -1.095 8.669 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.655 -1.209 9.305 1.00 0.00 O ATOM 437 ND2 ASN A 29 -12.522 -0.060 8.817 1.00 0.00 N ATOM 0 H ASN A 29 -9.786 -1.868 6.936 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.038 -3.751 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.202 -1.696 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.114 -2.522 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.292 0.681 9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.380 -0.007 8.269 1.00 0.00 H new ATOM 444 N TYR A 30 -11.532 -4.170 5.366 1.00 0.00 N ATOM 445 CA TYR A 30 -12.001 -5.120 4.365 1.00 0.00 C ATOM 446 C TYR A 30 -11.765 -6.556 4.823 1.00 0.00 C ATOM 447 O TYR A 30 -10.683 -6.898 5.303 1.00 0.00 O ATOM 448 CB TYR A 30 -11.296 -4.876 3.030 1.00 0.00 C ATOM 449 CG TYR A 30 -11.980 -5.536 1.854 1.00 0.00 C ATOM 450 CD1 TYR A 30 -11.940 -6.915 1.686 1.00 0.00 C ATOM 451 CD2 TYR A 30 -12.666 -4.781 0.910 1.00 0.00 C ATOM 452 CE1 TYR A 30 -12.563 -7.522 0.613 1.00 0.00 C ATOM 453 CE2 TYR A 30 -13.293 -5.380 -0.165 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.239 -6.751 -0.309 1.00 0.00 C ATOM 455 OH TYR A 30 -13.861 -7.351 -1.380 1.00 0.00 O ATOM 0 H TYR A 30 -11.094 -3.333 4.981 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.073 -4.971 4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.238 -3.802 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.272 -5.244 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.413 -7.522 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.710 -3.707 1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.521 -8.595 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -13.823 -4.778 -0.889 1.00 0.00 H new ATOM 0 HH TYR A 30 -14.292 -6.667 -1.933 1.00 0.00 H new ATOM 465 N THR A 31 -12.785 -7.395 4.671 1.00 0.00 N ATOM 466 CA THR A 31 -12.690 -8.794 5.068 1.00 0.00 C ATOM 467 C THR A 31 -13.135 -9.717 3.940 1.00 0.00 C ATOM 468 O THR A 31 -13.631 -9.260 2.910 1.00 0.00 O ATOM 469 CB THR A 31 -13.543 -9.081 6.318 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.760 -8.328 6.265 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.779 -8.731 7.587 1.00 0.00 C ATOM 0 H THR A 31 -13.687 -7.129 4.275 1.00 0.00 H new ATOM 0 HA THR A 31 -11.642 -8.987 5.299 1.00 0.00 H new ATOM 0 HB THR A 31 -13.776 -10.146 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.297 -8.518 7.063 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.402 -8.942 8.456 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.868 -9.327 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.519 -7.672 7.575 1.00 0.00 H new ATOM 479 N ASP A 32 -12.955 -11.018 4.141 1.00 0.00 N ATOM 480 CA ASP A 32 -13.340 -12.007 3.141 1.00 0.00 C ATOM 481 C ASP A 32 -14.856 -12.172 3.095 1.00 0.00 C ATOM 482 O ASP A 32 -15.589 -11.470 3.792 1.00 0.00 O ATOM 483 CB ASP A 32 -12.677 -13.352 3.440 1.00 0.00 C ATOM 484 CG ASP A 32 -12.433 -14.169 2.187 1.00 0.00 C ATOM 485 OD1 ASP A 32 -12.410 -13.577 1.087 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.264 -15.401 2.306 1.00 0.00 O ATOM 0 H ASP A 32 -12.545 -11.412 4.988 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.001 -11.653 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.728 -13.181 3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.308 -13.920 4.124 1.00 0.00 H new ATOM 491 N LYS A 33 -15.320 -13.104 2.269 1.00 0.00 N ATOM 492 CA LYS A 33 -16.748 -13.363 2.132 1.00 0.00 C ATOM 493 C LYS A 33 -17.367 -13.726 3.478 1.00 0.00 C ATOM 494 O LYS A 33 -18.573 -13.578 3.677 1.00 0.00 O ATOM 495 CB LYS A 33 -16.988 -14.491 1.127 1.00 0.00 C ATOM 496 CG LYS A 33 -16.826 -14.061 -0.321 1.00 0.00 C ATOM 497 CD LYS A 33 -17.205 -15.178 -1.280 1.00 0.00 C ATOM 498 CE LYS A 33 -16.045 -16.135 -1.506 1.00 0.00 C ATOM 499 NZ LYS A 33 -14.951 -15.504 -2.294 1.00 0.00 N ATOM 0 H LYS A 33 -14.727 -13.693 1.684 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.224 -12.453 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.294 -15.305 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.994 -14.885 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.449 -13.187 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.793 -13.762 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.059 -15.727 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.517 -14.751 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.655 -16.466 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.403 -17.023 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.364 -16.245 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.361 -14.906 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.363 -14.920 -1.666 1.00 0.00 H new ATOM 513 N ARG A 34 -16.534 -14.200 4.399 1.00 0.00 N ATOM 514 CA ARG A 34 -17.001 -14.583 5.726 1.00 0.00 C ATOM 515 C ARG A 34 -16.598 -13.542 6.765 1.00 0.00 C ATOM 516 O ARG A 34 -17.447 -12.852 7.328 1.00 0.00 O ATOM 517 CB ARG A 34 -16.435 -15.951 6.113 1.00 0.00 C ATOM 518 CG ARG A 34 -16.813 -17.062 5.147 1.00 0.00 C ATOM 519 CD ARG A 34 -18.282 -17.433 5.272 1.00 0.00 C ATOM 520 NE ARG A 34 -18.803 -18.025 4.043 1.00 0.00 N ATOM 521 CZ ARG A 34 -20.099 -18.178 3.793 1.00 0.00 C ATOM 522 NH1 ARG A 34 -21.000 -17.785 4.682 1.00 0.00 N ATOM 523 NH2 ARG A 34 -20.496 -18.726 2.651 1.00 0.00 N ATOM 0 H ARG A 34 -15.533 -14.328 4.251 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.089 -14.642 5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.349 -15.883 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.789 -16.212 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.602 -16.745 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.197 -17.940 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.410 -18.136 6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.861 -16.543 5.520 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.136 -18.338 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.699 -17.364 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.994 -17.904 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.806 -19.030 1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.491 -18.843 2.460 1.00 0.00 H new ATOM 537 N GLY A 35 -15.297 -13.434 7.016 1.00 0.00 N ATOM 538 CA GLY A 35 -14.805 -12.475 7.987 1.00 0.00 C ATOM 539 C GLY A 35 -13.345 -12.695 8.330 1.00 0.00 C ATOM 540 O GLY A 35 -12.971 -12.708 9.503 1.00 0.00 O ATOM 0 H GLY A 35 -14.575 -13.994 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.935 -11.466 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.403 -12.543 8.896 1.00 0.00 H new ATOM 544 N ARG A 36 -12.518 -12.869 7.305 1.00 0.00 N ATOM 545 CA ARG A 36 -11.091 -13.092 7.504 1.00 0.00 C ATOM 546 C ARG A 36 -10.278 -11.908 6.987 1.00 0.00 C ATOM 547 O ARG A 36 -10.259 -11.634 5.787 1.00 0.00 O ATOM 548 CB ARG A 36 -10.650 -14.375 6.797 1.00 0.00 C ATOM 549 CG ARG A 36 -9.450 -15.046 7.446 1.00 0.00 C ATOM 550 CD ARG A 36 -8.143 -14.436 6.963 1.00 0.00 C ATOM 551 NE ARG A 36 -7.037 -14.719 7.875 1.00 0.00 N ATOM 552 CZ ARG A 36 -5.779 -14.367 7.636 1.00 0.00 C ATOM 553 NH1 ARG A 36 -5.468 -13.723 6.519 1.00 0.00 N ATOM 554 NH2 ARG A 36 -4.828 -14.660 8.514 1.00 0.00 N ATOM 0 H ARG A 36 -12.811 -12.860 6.328 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.911 -13.195 8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.484 -15.077 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.409 -14.144 5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.520 -14.950 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.461 -16.112 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.905 -14.825 5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.262 -13.357 6.861 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.242 -15.214 8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.196 -13.497 5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.501 -13.454 6.338 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.063 -15.156 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.862 -14.389 8.329 1.00 0.00 H new ATOM 568 N ARG A 37 -9.610 -11.212 7.900 1.00 0.00 N ATOM 569 CA ARG A 37 -8.797 -10.057 7.536 1.00 0.00 C ATOM 570 C ARG A 37 -7.685 -10.457 6.571 1.00 0.00 C ATOM 571 O ARG A 37 -6.845 -11.301 6.889 1.00 0.00 O ATOM 572 CB ARG A 37 -8.195 -9.416 8.787 1.00 0.00 C ATOM 573 CG ARG A 37 -9.169 -8.529 9.546 1.00 0.00 C ATOM 574 CD ARG A 37 -9.318 -7.170 8.882 1.00 0.00 C ATOM 575 NE ARG A 37 -9.859 -6.169 9.799 1.00 0.00 N ATOM 576 CZ ARG A 37 -9.206 -5.720 10.865 1.00 0.00 C ATOM 577 NH1 ARG A 37 -7.994 -6.179 11.146 1.00 0.00 N ATOM 578 NH2 ARG A 37 -9.764 -4.809 11.651 1.00 0.00 N ATOM 0 H ARG A 37 -9.615 -11.427 8.897 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.442 -9.332 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.839 -10.202 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.326 -8.824 8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.142 -9.018 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.821 -8.398 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.347 -6.838 8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.973 -7.260 8.016 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.789 -5.795 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.561 -6.878 10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.495 -5.833 11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.695 -4.453 11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.262 -4.465 12.469 1.00 0.00 H new ATOM 592 N LEU A 38 -7.685 -9.848 5.391 1.00 0.00 N ATOM 593 CA LEU A 38 -6.676 -10.140 4.378 1.00 0.00 C ATOM 594 C LEU A 38 -5.364 -9.432 4.697 1.00 0.00 C ATOM 595 O LEU A 38 -4.284 -9.941 4.395 1.00 0.00 O ATOM 596 CB LEU A 38 -7.175 -9.716 2.996 1.00 0.00 C ATOM 597 CG LEU A 38 -8.420 -10.439 2.480 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.680 -9.802 3.046 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.452 -10.428 0.959 1.00 0.00 C ATOM 0 H LEU A 38 -8.373 -9.148 5.111 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.497 -11.215 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.384 -8.647 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.368 -9.867 2.279 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.379 -11.476 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.556 -10.330 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.661 -9.863 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.727 -8.756 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.345 -10.947 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.468 -9.398 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.566 -10.931 0.573 1.00 0.00 H new ATOM 611 N SER A 39 -5.464 -8.258 5.311 1.00 0.00 N ATOM 612 CA SER A 39 -4.285 -7.479 5.669 1.00 0.00 C ATOM 613 C SER A 39 -3.623 -8.042 6.923 1.00 0.00 C ATOM 614 O SER A 39 -2.475 -7.722 7.230 1.00 0.00 O ATOM 615 CB SER A 39 -4.664 -6.014 5.893 1.00 0.00 C ATOM 616 OG SER A 39 -5.068 -5.790 7.232 1.00 0.00 O ATOM 0 H SER A 39 -6.350 -7.825 5.571 1.00 0.00 H new ATOM 0 HA SER A 39 -3.575 -7.541 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.814 -5.375 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.471 -5.736 5.215 1.00 0.00 H new ATOM 0 HG SER A 39 -4.583 -5.020 7.596 1.00 0.00 H new ATOM 622 N ALA A 40 -4.356 -8.883 7.645 1.00 0.00 N ATOM 623 CA ALA A 40 -3.841 -9.493 8.864 1.00 0.00 C ATOM 624 C ALA A 40 -2.527 -10.220 8.602 1.00 0.00 C ATOM 625 O ALA A 40 -1.569 -10.084 9.364 1.00 0.00 O ATOM 626 CB ALA A 40 -4.868 -10.451 9.450 1.00 0.00 C ATOM 0 H ALA A 40 -5.309 -9.157 7.406 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.649 -8.698 9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.470 -10.899 10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.782 -9.906 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.089 -11.235 8.726 1.00 0.00 H new ATOM 632 N ILE A 41 -2.488 -10.991 7.520 1.00 0.00 N ATOM 633 CA ILE A 41 -1.290 -11.739 7.158 1.00 0.00 C ATOM 634 C ILE A 41 -0.267 -10.839 6.474 1.00 0.00 C ATOM 635 O ILE A 41 0.838 -11.274 6.147 1.00 0.00 O ATOM 636 CB ILE A 41 -1.624 -12.919 6.227 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.418 -13.852 6.098 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.054 -12.409 4.859 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.776 -15.238 5.609 1.00 0.00 C ATOM 0 H ILE A 41 -3.272 -11.114 6.879 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.867 -12.127 8.085 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.451 -13.482 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.303 -13.408 5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.074 -13.933 7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.287 -13.255 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.938 -11.780 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.246 -11.826 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.127 -15.845 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.473 -15.701 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.240 -15.168 4.625 1.00 0.00 H new ATOM 651 N PHE A 42 -0.640 -9.581 6.263 1.00 0.00 N ATOM 652 CA PHE A 42 0.246 -8.619 5.619 1.00 0.00 C ATOM 653 C PHE A 42 0.575 -7.466 6.563 1.00 0.00 C ATOM 654 O PHE A 42 1.196 -6.479 6.164 1.00 0.00 O ATOM 655 CB PHE A 42 -0.397 -8.078 4.340 1.00 0.00 C ATOM 656 CG PHE A 42 -0.367 -9.051 3.196 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.828 -9.370 2.572 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.534 -9.646 2.745 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.858 -10.264 1.519 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.510 -10.542 1.692 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.312 -10.852 1.079 1.00 0.00 C ATOM 0 H PHE A 42 -1.550 -9.204 6.529 1.00 0.00 H new ATOM 0 HA PHE A 42 1.173 -9.132 5.363 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.432 -7.808 4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.117 -7.164 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.746 -8.915 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.473 -9.407 3.221 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.796 -10.503 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.427 -10.999 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.290 -11.553 0.257 1.00 0.00 H new ATOM 671 N LEU A 43 0.155 -7.598 7.816 1.00 0.00 N ATOM 672 CA LEU A 43 0.405 -6.567 8.819 1.00 0.00 C ATOM 673 C LEU A 43 1.824 -6.673 9.367 1.00 0.00 C ATOM 674 O LEU A 43 2.603 -5.722 9.288 1.00 0.00 O ATOM 675 CB LEU A 43 -0.606 -6.685 9.961 1.00 0.00 C ATOM 676 CG LEU A 43 -1.920 -5.927 9.775 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.934 -6.350 10.827 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.683 -4.425 9.834 1.00 0.00 C ATOM 0 H LEU A 43 -0.360 -8.408 8.162 1.00 0.00 H new ATOM 0 HA LEU A 43 0.293 -5.594 8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.836 -7.740 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.132 -6.331 10.877 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.322 -6.173 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.863 -5.800 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.127 -7.419 10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.539 -6.135 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.630 -3.902 9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.257 -4.162 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.992 -4.134 9.043 1.00 0.00 H new ATOM 690 N ARG A 44 2.155 -7.835 9.919 1.00 0.00 N ATOM 691 CA ARG A 44 3.481 -8.066 10.479 1.00 0.00 C ATOM 692 C ARG A 44 4.186 -9.208 9.755 1.00 0.00 C ATOM 693 O ARG A 44 3.580 -10.240 9.461 1.00 0.00 O ATOM 694 CB ARG A 44 3.380 -8.380 11.973 1.00 0.00 C ATOM 695 CG ARG A 44 3.009 -7.177 12.825 1.00 0.00 C ATOM 696 CD ARG A 44 3.294 -7.428 14.297 1.00 0.00 C ATOM 697 NE ARG A 44 2.253 -8.238 14.925 1.00 0.00 N ATOM 698 CZ ARG A 44 2.030 -8.262 16.234 1.00 0.00 C ATOM 699 NH1 ARG A 44 2.771 -7.524 17.050 1.00 0.00 N ATOM 700 NH2 ARG A 44 1.065 -9.025 16.730 1.00 0.00 N ATOM 0 H ARG A 44 1.523 -8.632 9.991 1.00 0.00 H new ATOM 0 HA ARG A 44 4.067 -7.157 10.345 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.636 -9.163 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.335 -8.778 12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.569 -6.305 12.488 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.952 -6.948 12.692 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.256 -7.930 14.400 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.375 -6.474 14.818 1.00 0.00 H new ATOM 0 HE ARG A 44 1.665 -8.817 14.325 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.514 -6.936 16.673 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.598 -7.544 18.055 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.493 -9.594 16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.895 -9.043 17.736 1.00 0.00 H new ATOM 714 N LEU A 45 5.469 -9.018 9.469 1.00 0.00 N ATOM 715 CA LEU A 45 6.258 -10.033 8.778 1.00 0.00 C ATOM 716 C LEU A 45 7.336 -10.602 9.695 1.00 0.00 C ATOM 717 O LEU A 45 7.848 -9.925 10.587 1.00 0.00 O ATOM 718 CB LEU A 45 6.901 -9.440 7.523 1.00 0.00 C ATOM 719 CG LEU A 45 5.946 -9.089 6.382 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.634 -8.187 5.368 1.00 0.00 C ATOM 721 CD2 LEU A 45 5.429 -10.353 5.710 1.00 0.00 C ATOM 0 H LEU A 45 5.986 -8.171 9.705 1.00 0.00 H new ATOM 0 HA LEU A 45 5.589 -10.843 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.442 -8.538 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.639 -10.149 7.147 1.00 0.00 H new ATOM 0 HG LEU A 45 5.095 -8.550 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.939 -7.948 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.953 -7.267 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.503 -8.699 4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.751 -10.083 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.268 -10.920 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.897 -10.962 6.441 1.00 0.00 H new ATOM 733 N PRO A 46 7.691 -11.876 9.471 1.00 0.00 N ATOM 734 CA PRO A 46 8.714 -12.564 10.265 1.00 0.00 C ATOM 735 C PRO A 46 10.115 -12.024 9.999 1.00 0.00 C ATOM 736 O PRO A 46 10.539 -11.911 8.849 1.00 0.00 O ATOM 737 CB PRO A 46 8.604 -14.018 9.800 1.00 0.00 C ATOM 738 CG PRO A 46 8.039 -13.935 8.425 1.00 0.00 C ATOM 739 CD PRO A 46 7.123 -12.743 8.425 1.00 0.00 C ATOM 0 HA PRO A 46 8.557 -12.431 11.335 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.578 -14.508 9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.957 -14.596 10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.830 -13.819 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.495 -14.845 8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.110 -12.246 7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.095 -13.026 8.652 1.00 0.00 H new ATOM 747 N SER A 47 10.829 -11.691 11.069 1.00 0.00 N ATOM 748 CA SER A 47 12.181 -11.159 10.951 1.00 0.00 C ATOM 749 C SER A 47 13.118 -12.190 10.329 1.00 0.00 C ATOM 750 O SER A 47 12.717 -13.320 10.050 1.00 0.00 O ATOM 751 CB SER A 47 12.708 -10.737 12.324 1.00 0.00 C ATOM 752 OG SER A 47 13.634 -9.670 12.209 1.00 0.00 O ATOM 0 H SER A 47 10.493 -11.780 12.028 1.00 0.00 H new ATOM 0 HA SER A 47 12.146 -10.286 10.300 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.876 -10.433 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.186 -11.587 12.810 1.00 0.00 H new ATOM 0 HG SER A 47 13.955 -9.418 13.100 1.00 0.00 H new ATOM 758 N ARG A 48 14.368 -11.792 10.116 1.00 0.00 N ATOM 759 CA ARG A 48 15.363 -12.681 9.526 1.00 0.00 C ATOM 760 C ARG A 48 15.610 -13.890 10.423 1.00 0.00 C ATOM 761 O ARG A 48 15.607 -15.030 9.958 1.00 0.00 O ATOM 762 CB ARG A 48 16.674 -11.929 9.292 1.00 0.00 C ATOM 763 CG ARG A 48 17.582 -12.591 8.269 1.00 0.00 C ATOM 764 CD ARG A 48 18.866 -11.802 8.070 1.00 0.00 C ATOM 765 NE ARG A 48 19.876 -12.140 9.069 1.00 0.00 N ATOM 766 CZ ARG A 48 21.100 -11.622 9.081 1.00 0.00 C ATOM 767 NH1 ARG A 48 21.462 -10.747 8.153 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.963 -11.979 10.024 1.00 0.00 N ATOM 0 H ARG A 48 14.716 -10.860 10.343 1.00 0.00 H new ATOM 0 HA ARG A 48 14.979 -13.033 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.447 -10.915 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.208 -11.844 10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.822 -13.603 8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.057 -12.679 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 48 19.262 -11.999 7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.648 -10.735 8.122 1.00 0.00 H new ATOM 0 HE ARG A 48 19.629 -12.810 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.801 -10.470 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 48 22.402 -10.351 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.687 -12.651 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.902 -11.581 10.033 1.00 0.00 H new ATOM 782 N SER A 49 15.825 -13.634 11.709 1.00 0.00 N ATOM 783 CA SER A 49 16.079 -14.701 12.670 1.00 0.00 C ATOM 784 C SER A 49 14.993 -15.770 12.593 1.00 0.00 C ATOM 785 O SER A 49 15.277 -16.965 12.675 1.00 0.00 O ATOM 786 CB SER A 49 16.151 -14.132 14.088 1.00 0.00 C ATOM 787 OG SER A 49 17.222 -13.214 14.215 1.00 0.00 O ATOM 0 H SER A 49 15.828 -12.696 12.110 1.00 0.00 H new ATOM 0 HA SER A 49 17.036 -15.161 12.422 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.212 -13.636 14.332 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.278 -14.945 14.803 1.00 0.00 H new ATOM 0 HG SER A 49 17.245 -12.863 15.130 1.00 0.00 H new ATOM 793 N GLU A 50 13.748 -15.331 12.435 1.00 0.00 N ATOM 794 CA GLU A 50 12.620 -16.250 12.348 1.00 0.00 C ATOM 795 C GLU A 50 12.574 -16.927 10.981 1.00 0.00 C ATOM 796 O GLU A 50 12.903 -18.107 10.848 1.00 0.00 O ATOM 797 CB GLU A 50 11.307 -15.507 12.606 1.00 0.00 C ATOM 798 CG GLU A 50 11.105 -15.116 14.060 1.00 0.00 C ATOM 799 CD GLU A 50 9.893 -14.227 14.262 1.00 0.00 C ATOM 800 OE1 GLU A 50 9.890 -13.099 13.726 1.00 0.00 O ATOM 801 OE2 GLU A 50 8.949 -14.659 14.955 1.00 0.00 O ATOM 0 H GLU A 50 13.496 -14.345 12.365 1.00 0.00 H new ATOM 0 HA GLU A 50 12.750 -17.018 13.110 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.281 -14.608 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.475 -16.136 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.994 -16.017 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.994 -14.599 14.420 1.00 0.00 H new ATOM 808 N LEU A 51 12.162 -16.174 9.968 1.00 0.00 N ATOM 809 CA LEU A 51 12.072 -16.700 8.610 1.00 0.00 C ATOM 810 C LEU A 51 13.079 -16.015 7.693 1.00 0.00 C ATOM 811 O LEU A 51 12.748 -15.098 6.940 1.00 0.00 O ATOM 812 CB LEU A 51 10.656 -16.512 8.063 1.00 0.00 C ATOM 813 CG LEU A 51 10.342 -17.232 6.750 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.082 -18.559 6.680 1.00 0.00 C ATOM 815 CD2 LEU A 51 8.843 -17.446 6.605 1.00 0.00 C ATOM 0 H LEU A 51 11.885 -15.197 10.061 1.00 0.00 H new ATOM 0 HA LEU A 51 12.304 -17.764 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.948 -16.852 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.482 -15.446 7.920 1.00 0.00 H new ATOM 0 HG LEU A 51 10.681 -16.607 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.847 -19.057 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.156 -18.380 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.774 -19.192 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.638 -17.959 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.480 -18.051 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.336 -16.481 6.610 1.00 0.00 H new ATOM 827 N PRO A 52 14.340 -16.470 7.753 1.00 0.00 N ATOM 828 CA PRO A 52 15.421 -15.917 6.932 1.00 0.00 C ATOM 829 C PRO A 52 15.262 -16.263 5.455 1.00 0.00 C ATOM 830 O PRO A 52 15.434 -15.408 4.586 1.00 0.00 O ATOM 831 CB PRO A 52 16.676 -16.581 7.504 1.00 0.00 C ATOM 832 CG PRO A 52 16.189 -17.850 8.113 1.00 0.00 C ATOM 833 CD PRO A 52 14.806 -17.560 8.626 1.00 0.00 C ATOM 0 HA PRO A 52 15.444 -14.828 6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.413 -16.773 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.157 -15.945 8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.172 -18.654 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.845 -18.172 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.160 -18.435 8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.821 -17.258 9.673 1.00 0.00 H new ATOM 841 N ASP A 53 14.934 -17.520 5.178 1.00 0.00 N ATOM 842 CA ASP A 53 14.750 -17.978 3.806 1.00 0.00 C ATOM 843 C ASP A 53 13.875 -17.006 3.021 1.00 0.00 C ATOM 844 O ASP A 53 13.954 -16.937 1.794 1.00 0.00 O ATOM 845 CB ASP A 53 14.124 -19.374 3.791 1.00 0.00 C ATOM 846 CG ASP A 53 15.031 -20.422 4.407 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.173 -20.575 3.925 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.598 -21.087 5.371 1.00 0.00 O ATOM 0 H ASP A 53 14.790 -18.240 5.886 1.00 0.00 H new ATOM 0 HA ASP A 53 15.729 -18.023 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.179 -19.351 4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.894 -19.655 2.763 1.00 0.00 H new ATOM 853 N TYR A 54 13.042 -16.259 3.736 1.00 0.00 N ATOM 854 CA TYR A 54 12.150 -15.293 3.106 1.00 0.00 C ATOM 855 C TYR A 54 12.943 -14.217 2.371 1.00 0.00 C ATOM 856 O TYR A 54 12.806 -14.047 1.159 1.00 0.00 O ATOM 857 CB TYR A 54 11.241 -14.647 4.154 1.00 0.00 C ATOM 858 CG TYR A 54 10.605 -13.357 3.690 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.529 -13.366 2.811 1.00 0.00 C ATOM 860 CD2 TYR A 54 11.078 -12.128 4.133 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.945 -12.189 2.384 1.00 0.00 C ATOM 862 CE2 TYR A 54 10.500 -10.946 3.713 1.00 0.00 C ATOM 863 CZ TYR A 54 9.434 -10.981 2.838 1.00 0.00 C ATOM 864 OH TYR A 54 8.854 -9.807 2.417 1.00 0.00 O ATOM 0 H TYR A 54 12.966 -16.304 4.752 1.00 0.00 H new ATOM 0 HA TYR A 54 11.535 -15.825 2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.456 -15.352 4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 54 11.821 -14.452 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.142 -14.310 2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.912 -12.096 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.111 -12.214 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.880 -9.999 4.068 1.00 0.00 H new ATOM 0 HH TYR A 54 8.654 -9.244 3.194 1.00 0.00 H new ATOM 874 N TYR A 55 13.772 -13.492 3.114 1.00 0.00 N ATOM 875 CA TYR A 55 14.587 -12.431 2.535 1.00 0.00 C ATOM 876 C TYR A 55 15.341 -12.931 1.306 1.00 0.00 C ATOM 877 O TYR A 55 15.447 -12.228 0.300 1.00 0.00 O ATOM 878 CB TYR A 55 15.577 -11.896 3.572 1.00 0.00 C ATOM 879 CG TYR A 55 14.936 -11.019 4.624 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.355 -9.804 4.284 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.913 -11.405 5.958 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.769 -8.999 5.242 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.328 -10.608 6.923 1.00 0.00 C ATOM 884 CZ TYR A 55 13.758 -9.405 6.560 1.00 0.00 C ATOM 885 OH TYR A 55 13.176 -8.607 7.518 1.00 0.00 O ATOM 0 H TYR A 55 13.897 -13.620 4.118 1.00 0.00 H new ATOM 0 HA TYR A 55 13.922 -11.624 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.068 -12.737 4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.354 -11.327 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.361 -9.483 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.360 -12.345 6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.322 -8.057 4.960 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.317 -10.925 7.955 1.00 0.00 H new ATOM 0 HH TYR A 55 13.253 -9.039 8.394 1.00 0.00 H new ATOM 895 N LEU A 56 15.862 -14.149 1.396 1.00 0.00 N ATOM 896 CA LEU A 56 16.607 -14.746 0.292 1.00 0.00 C ATOM 897 C LEU A 56 15.759 -14.790 -0.975 1.00 0.00 C ATOM 898 O LEU A 56 16.276 -14.670 -2.086 1.00 0.00 O ATOM 899 CB LEU A 56 17.063 -16.158 0.664 1.00 0.00 C ATOM 900 CG LEU A 56 17.911 -16.278 1.930 1.00 0.00 C ATOM 901 CD1 LEU A 56 18.107 -17.739 2.305 1.00 0.00 C ATOM 902 CD2 LEU A 56 19.255 -15.590 1.739 1.00 0.00 C ATOM 0 H LEU A 56 15.783 -14.743 2.221 1.00 0.00 H new ATOM 0 HA LEU A 56 17.483 -14.127 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.179 -16.784 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.633 -16.566 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 56 17.384 -15.782 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 56 18.713 -17.805 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.137 -18.202 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.612 -18.259 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.845 -15.685 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.788 -16.057 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.095 -14.534 1.519 1.00 0.00 H new ATOM 914 N THR A 57 14.452 -14.960 -0.801 1.00 0.00 N ATOM 915 CA THR A 57 13.532 -15.019 -1.930 1.00 0.00 C ATOM 916 C THR A 57 13.114 -13.621 -2.372 1.00 0.00 C ATOM 917 O THR A 57 13.390 -13.208 -3.499 1.00 0.00 O ATOM 918 CB THR A 57 12.272 -15.835 -1.586 1.00 0.00 C ATOM 919 OG1 THR A 57 12.638 -17.035 -0.898 1.00 0.00 O ATOM 920 CG2 THR A 57 11.492 -16.183 -2.845 1.00 0.00 C ATOM 0 H THR A 57 14.007 -15.059 0.111 1.00 0.00 H new ATOM 0 HA THR A 57 14.063 -15.511 -2.745 1.00 0.00 H new ATOM 0 HB THR A 57 11.637 -15.227 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.936 -16.814 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.607 -16.759 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.189 -15.266 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.121 -16.773 -3.511 1.00 0.00 H new ATOM 928 N ILE A 58 12.449 -12.897 -1.478 1.00 0.00 N ATOM 929 CA ILE A 58 11.995 -11.545 -1.776 1.00 0.00 C ATOM 930 C ILE A 58 13.075 -10.518 -1.452 1.00 0.00 C ATOM 931 O ILE A 58 13.319 -10.203 -0.287 1.00 0.00 O ATOM 932 CB ILE A 58 10.717 -11.194 -0.990 1.00 0.00 C ATOM 933 CG1 ILE A 58 9.711 -12.344 -1.070 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.104 -9.908 -1.524 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.228 -12.627 -2.475 1.00 0.00 C ATOM 0 H ILE A 58 12.213 -13.224 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 58 11.776 -11.514 -2.843 1.00 0.00 H new ATOM 0 HB ILE A 58 10.982 -11.040 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.169 -13.246 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.853 -12.110 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.202 -9.673 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.820 -9.093 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.850 -10.036 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.518 -13.454 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.741 -11.739 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.077 -12.892 -3.105 1.00 0.00 H new ATOM 947 N LYS A 59 13.720 -9.999 -2.491 1.00 0.00 N ATOM 948 CA LYS A 59 14.773 -9.005 -2.320 1.00 0.00 C ATOM 949 C LYS A 59 14.185 -7.650 -1.939 1.00 0.00 C ATOM 950 O LYS A 59 14.836 -6.844 -1.272 1.00 0.00 O ATOM 951 CB LYS A 59 15.593 -8.874 -3.605 1.00 0.00 C ATOM 952 CG LYS A 59 16.558 -10.025 -3.831 1.00 0.00 C ATOM 953 CD LYS A 59 15.864 -11.217 -4.468 1.00 0.00 C ATOM 954 CE LYS A 59 16.863 -12.288 -4.879 1.00 0.00 C ATOM 955 NZ LYS A 59 17.826 -11.786 -5.898 1.00 0.00 N ATOM 0 H LYS A 59 13.532 -10.251 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 59 15.425 -9.338 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.913 -8.809 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.155 -7.941 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.376 -9.695 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.998 -10.324 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.145 -11.639 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.301 -10.888 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.410 -12.631 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.328 -13.150 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.269 -12.592 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.322 -11.198 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.561 -11.217 -5.431 1.00 0.00 H new ATOM 969 N LYS A 60 12.951 -7.404 -2.365 1.00 0.00 N ATOM 970 CA LYS A 60 12.273 -6.148 -2.066 1.00 0.00 C ATOM 971 C LYS A 60 11.020 -6.391 -1.232 1.00 0.00 C ATOM 972 O LYS A 60 9.892 -6.272 -1.712 1.00 0.00 O ATOM 973 CB LYS A 60 11.904 -5.424 -3.362 1.00 0.00 C ATOM 974 CG LYS A 60 13.104 -5.064 -4.221 1.00 0.00 C ATOM 975 CD LYS A 60 12.680 -4.598 -5.604 1.00 0.00 C ATOM 976 CE LYS A 60 12.559 -5.764 -6.573 1.00 0.00 C ATOM 977 NZ LYS A 60 12.203 -5.311 -7.946 1.00 0.00 N ATOM 0 H LYS A 60 12.399 -8.059 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 60 12.955 -5.523 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.229 -6.055 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.357 -4.514 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.680 -4.278 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.760 -5.930 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.724 -4.079 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.406 -3.880 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.502 -6.310 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.801 -6.459 -6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.130 -6.136 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.291 -4.813 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.939 -4.668 -8.301 1.00 0.00 H new ATOM 991 N PRO A 61 11.218 -6.739 0.049 1.00 0.00 N ATOM 992 CA PRO A 61 10.115 -7.003 0.977 1.00 0.00 C ATOM 993 C PRO A 61 9.344 -5.737 1.338 1.00 0.00 C ATOM 994 O PRO A 61 9.931 -4.744 1.765 1.00 0.00 O ATOM 995 CB PRO A 61 10.819 -7.571 2.212 1.00 0.00 C ATOM 996 CG PRO A 61 12.199 -7.015 2.150 1.00 0.00 C ATOM 997 CD PRO A 61 12.534 -6.900 0.688 1.00 0.00 C ATOM 0 HA PRO A 61 9.372 -7.674 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.312 -7.271 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.830 -8.661 2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.250 -6.043 2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.906 -7.668 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.184 -6.047 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.052 -7.787 0.323 1.00 0.00 H new ATOM 1005 N MET A 62 8.028 -5.781 1.162 1.00 0.00 N ATOM 1006 CA MET A 62 7.177 -4.638 1.472 1.00 0.00 C ATOM 1007 C MET A 62 6.074 -5.029 2.449 1.00 0.00 C ATOM 1008 O MET A 62 5.358 -6.007 2.232 1.00 0.00 O ATOM 1009 CB MET A 62 6.563 -4.071 0.190 1.00 0.00 C ATOM 1010 CG MET A 62 5.561 -2.955 0.439 1.00 0.00 C ATOM 1011 SD MET A 62 5.266 -1.947 -1.027 1.00 0.00 S ATOM 1012 CE MET A 62 6.726 -0.909 -1.023 1.00 0.00 C ATOM 0 H MET A 62 7.527 -6.596 0.806 1.00 0.00 H new ATOM 0 HA MET A 62 7.796 -3.872 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.361 -3.696 -0.450 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.070 -4.876 -0.354 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.618 -3.387 0.774 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.925 -2.319 1.246 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.430 0.134 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.372 -1.193 -0.192 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.266 -1.036 -1.961 1.00 0.00 H new ATOM 1022 N ASP A 63 5.942 -4.261 3.524 1.00 0.00 N ATOM 1023 CA ASP A 63 4.924 -4.527 4.535 1.00 0.00 C ATOM 1024 C ASP A 63 3.954 -3.356 4.651 1.00 0.00 C ATOM 1025 O ASP A 63 4.286 -2.225 4.296 1.00 0.00 O ATOM 1026 CB ASP A 63 5.580 -4.799 5.890 1.00 0.00 C ATOM 1027 CG ASP A 63 6.840 -3.982 6.098 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.723 -2.761 6.337 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.942 -4.562 6.022 1.00 0.00 O ATOM 0 H ASP A 63 6.527 -3.449 3.719 1.00 0.00 H new ATOM 0 HA ASP A 63 4.363 -5.410 4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.870 -4.575 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.821 -5.859 5.967 1.00 0.00 H new ATOM 1034 N MET A 64 2.754 -3.635 5.149 1.00 0.00 N ATOM 1035 CA MET A 64 1.736 -2.604 5.312 1.00 0.00 C ATOM 1036 C MET A 64 2.254 -1.460 6.179 1.00 0.00 C ATOM 1037 O MET A 64 1.887 -0.303 5.978 1.00 0.00 O ATOM 1038 CB MET A 64 0.472 -3.199 5.935 1.00 0.00 C ATOM 1039 CG MET A 64 -0.518 -3.731 4.911 1.00 0.00 C ATOM 1040 SD MET A 64 -1.545 -2.433 4.198 1.00 0.00 S ATOM 1041 CE MET A 64 -3.139 -2.833 4.911 1.00 0.00 C ATOM 0 H MET A 64 2.463 -4.566 5.447 1.00 0.00 H new ATOM 0 HA MET A 64 1.495 -2.208 4.325 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.755 -4.008 6.609 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.018 -2.437 6.540 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.027 -4.237 4.114 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.158 -4.477 5.383 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.781 -1.953 4.884 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.602 -3.637 4.339 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.005 -3.153 5.944 1.00 0.00 H new ATOM 1051 N GLU A 65 3.108 -1.793 7.142 1.00 0.00 N ATOM 1052 CA GLU A 65 3.674 -0.793 8.039 1.00 0.00 C ATOM 1053 C GLU A 65 4.466 0.252 7.258 1.00 0.00 C ATOM 1054 O GLU A 65 4.375 1.449 7.532 1.00 0.00 O ATOM 1055 CB GLU A 65 4.577 -1.460 9.078 1.00 0.00 C ATOM 1056 CG GLU A 65 3.813 -2.223 10.148 1.00 0.00 C ATOM 1057 CD GLU A 65 3.116 -1.306 11.133 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.773 -0.372 11.640 1.00 0.00 O ATOM 1059 OE2 GLU A 65 1.915 -1.522 11.398 1.00 0.00 O ATOM 0 H GLU A 65 3.423 -2.747 7.321 1.00 0.00 H new ATOM 0 HA GLU A 65 2.851 -0.294 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.256 -2.145 8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.191 -0.697 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.074 -2.867 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.502 -2.873 10.687 1.00 0.00 H new ATOM 1066 N LYS A 66 5.243 -0.209 6.284 1.00 0.00 N ATOM 1067 CA LYS A 66 6.051 0.684 5.462 1.00 0.00 C ATOM 1068 C LYS A 66 5.260 1.929 5.072 1.00 0.00 C ATOM 1069 O LYS A 66 5.663 3.052 5.380 1.00 0.00 O ATOM 1070 CB LYS A 66 6.530 -0.043 4.203 1.00 0.00 C ATOM 1071 CG LYS A 66 7.768 0.576 3.577 1.00 0.00 C ATOM 1072 CD LYS A 66 8.602 -0.463 2.847 1.00 0.00 C ATOM 1073 CE LYS A 66 9.891 0.137 2.307 1.00 0.00 C ATOM 1074 NZ LYS A 66 9.629 1.174 1.271 1.00 0.00 N ATOM 0 H LYS A 66 5.330 -1.197 6.044 1.00 0.00 H new ATOM 0 HA LYS A 66 6.916 0.993 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.740 -1.083 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.725 -0.048 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.471 1.360 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.371 1.049 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.837 -1.284 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.023 -0.884 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.458 0.578 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.509 -0.653 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.527 1.461 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.997 0.785 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.180 2.001 1.714 1.00 0.00 H new ATOM 1088 N ILE A 67 4.135 1.723 4.397 1.00 0.00 N ATOM 1089 CA ILE A 67 3.288 2.830 3.969 1.00 0.00 C ATOM 1090 C ILE A 67 2.743 3.600 5.166 1.00 0.00 C ATOM 1091 O ILE A 67 3.002 4.793 5.321 1.00 0.00 O ATOM 1092 CB ILE A 67 2.109 2.337 3.109 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.625 1.613 1.863 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.214 3.503 2.718 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.826 0.128 2.067 1.00 0.00 C ATOM 0 H ILE A 67 3.788 0.800 4.134 1.00 0.00 H new ATOM 0 HA ILE A 67 3.913 3.492 3.369 1.00 0.00 H new ATOM 0 HB ILE A 67 1.520 1.633 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.921 1.767 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.571 2.061 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.386 3.138 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.823 3.979 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.791 4.229 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.193 -0.320 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.553 -0.035 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.877 -0.333 2.342 1.00 0.00 H new ATOM 1107 N ARG A 68 1.987 2.908 6.013 1.00 0.00 N ATOM 1108 CA ARG A 68 1.405 3.526 7.198 1.00 0.00 C ATOM 1109 C ARG A 68 2.418 4.433 7.891 1.00 0.00 C ATOM 1110 O ARG A 68 2.234 5.648 7.958 1.00 0.00 O ATOM 1111 CB ARG A 68 0.916 2.452 8.172 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.236 2.908 9.053 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.298 2.109 10.345 1.00 0.00 C ATOM 1114 NE ARG A 68 0.759 2.493 11.277 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.742 2.195 12.572 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -0.273 1.512 13.084 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.741 2.579 13.356 1.00 0.00 N ATOM 0 H ARG A 68 1.764 1.919 5.900 1.00 0.00 H new ATOM 0 HA ARG A 68 0.557 4.133 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.604 1.575 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.747 2.143 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.122 3.967 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.175 2.799 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.269 2.258 10.817 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.213 1.046 10.118 1.00 0.00 H new ATOM 0 HE ARG A 68 1.554 3.019 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.042 1.215 12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.285 1.284 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.523 3.104 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.727 2.350 14.350 1.00 0.00 H new ATOM 1131 N SER A 69 3.486 3.833 8.406 1.00 0.00 N ATOM 1132 CA SER A 69 4.526 4.586 9.098 1.00 0.00 C ATOM 1133 C SER A 69 4.749 5.941 8.434 1.00 0.00 C ATOM 1134 O SER A 69 4.448 6.986 9.013 1.00 0.00 O ATOM 1135 CB SER A 69 5.834 3.792 9.115 1.00 0.00 C ATOM 1136 OG SER A 69 6.865 4.522 9.757 1.00 0.00 O ATOM 0 H SER A 69 3.654 2.828 8.357 1.00 0.00 H new ATOM 0 HA SER A 69 4.197 4.754 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.681 2.844 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.133 3.556 8.094 1.00 0.00 H new ATOM 0 HG SER A 69 7.690 3.993 9.756 1.00 0.00 H new ATOM 1142 N HIS A 70 5.278 5.916 7.215 1.00 0.00 N ATOM 1143 CA HIS A 70 5.541 7.142 6.470 1.00 0.00 C ATOM 1144 C HIS A 70 4.283 8.001 6.375 1.00 0.00 C ATOM 1145 O HIS A 70 4.243 9.119 6.887 1.00 0.00 O ATOM 1146 CB HIS A 70 6.055 6.813 5.069 1.00 0.00 C ATOM 1147 CG HIS A 70 7.299 5.979 5.068 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.634 5.129 4.035 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.293 5.871 5.981 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.779 4.532 4.314 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.200 4.965 5.489 1.00 0.00 N ATOM 0 H HIS A 70 5.533 5.060 6.722 1.00 0.00 H new ATOM 0 HA HIS A 70 6.305 7.706 7.005 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.275 6.287 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.250 7.743 4.535 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.360 6.399 6.921 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.285 3.812 3.688 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.059 4.674 5.955 1.00 0.00 H new ATOM 1160 N MET A 71 3.259 7.469 5.716 1.00 0.00 N ATOM 1161 CA MET A 71 1.999 8.187 5.554 1.00 0.00 C ATOM 1162 C MET A 71 1.676 9.006 6.800 1.00 0.00 C ATOM 1163 O MET A 71 1.602 10.233 6.745 1.00 0.00 O ATOM 1164 CB MET A 71 0.862 7.206 5.265 1.00 0.00 C ATOM 1165 CG MET A 71 -0.415 7.879 4.789 1.00 0.00 C ATOM 1166 SD MET A 71 -1.757 6.706 4.513 1.00 0.00 S ATOM 1167 CE MET A 71 -2.010 6.085 6.174 1.00 0.00 C ATOM 0 H MET A 71 3.276 6.544 5.286 1.00 0.00 H new ATOM 0 HA MET A 71 2.104 8.869 4.710 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.191 6.494 4.509 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.647 6.635 6.168 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.729 8.617 5.527 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.213 8.419 3.864 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.002 5.638 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.255 5.332 6.400 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.928 6.906 6.886 1.00 0.00 H new ATOM 1177 N MET A 72 1.485 8.318 7.921 1.00 0.00 N ATOM 1178 CA MET A 72 1.171 8.983 9.180 1.00 0.00 C ATOM 1179 C MET A 72 2.009 10.246 9.352 1.00 0.00 C ATOM 1180 O MET A 72 1.514 11.272 9.818 1.00 0.00 O ATOM 1181 CB MET A 72 1.410 8.034 10.356 1.00 0.00 C ATOM 1182 CG MET A 72 0.208 7.168 10.692 1.00 0.00 C ATOM 1183 SD MET A 72 -1.214 8.134 11.236 1.00 0.00 S ATOM 1184 CE MET A 72 -2.376 7.800 9.914 1.00 0.00 C ATOM 0 H MET A 72 1.542 7.301 7.983 1.00 0.00 H new ATOM 0 HA MET A 72 0.119 9.267 9.160 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.259 7.390 10.126 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.683 8.619 11.234 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.069 6.582 9.815 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.482 6.460 11.474 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.815 8.737 9.570 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.857 7.317 9.086 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.165 7.143 10.280 1.00 0.00 H new ATOM 1194 N ALA A 73 3.280 10.164 8.973 1.00 0.00 N ATOM 1195 CA ALA A 73 4.186 11.300 9.084 1.00 0.00 C ATOM 1196 C ALA A 73 4.095 12.197 7.854 1.00 0.00 C ATOM 1197 O ALA A 73 5.086 12.790 7.432 1.00 0.00 O ATOM 1198 CB ALA A 73 5.615 10.819 9.284 1.00 0.00 C ATOM 0 H ALA A 73 3.706 9.322 8.586 1.00 0.00 H new ATOM 0 HA ALA A 73 3.888 11.887 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.280 11.679 9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.675 10.226 10.197 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.915 10.207 8.434 1.00 0.00 H new ATOM 1204 N ASN A 74 2.898 12.290 7.283 1.00 0.00 N ATOM 1205 CA ASN A 74 2.678 13.114 6.100 1.00 0.00 C ATOM 1206 C ASN A 74 3.886 13.063 5.169 1.00 0.00 C ATOM 1207 O ASN A 74 4.385 14.097 4.725 1.00 0.00 O ATOM 1208 CB ASN A 74 2.393 14.561 6.506 1.00 0.00 C ATOM 1209 CG ASN A 74 1.708 15.347 5.405 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.623 14.893 4.264 1.00 0.00 O ATOM 1211 ND2 ASN A 74 1.216 16.533 5.743 1.00 0.00 N ATOM 0 H ASN A 74 2.066 11.805 7.620 1.00 0.00 H new ATOM 0 HA ASN A 74 1.814 12.717 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.766 14.568 7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.329 15.052 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.745 17.108 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.309 16.870 6.701 1.00 0.00 H new ATOM 1218 N LYS A 75 4.351 11.853 4.878 1.00 0.00 N ATOM 1219 CA LYS A 75 5.500 11.666 4.000 1.00 0.00 C ATOM 1220 C LYS A 75 5.060 11.583 2.541 1.00 0.00 C ATOM 1221 O LYS A 75 5.611 12.266 1.677 1.00 0.00 O ATOM 1222 CB LYS A 75 6.262 10.397 4.387 1.00 0.00 C ATOM 1223 CG LYS A 75 7.223 10.594 5.546 1.00 0.00 C ATOM 1224 CD LYS A 75 8.376 9.606 5.490 1.00 0.00 C ATOM 1225 CE LYS A 75 9.504 10.012 6.425 1.00 0.00 C ATOM 1226 NZ LYS A 75 9.224 9.623 7.835 1.00 0.00 N ATOM 0 H LYS A 75 3.950 10.987 5.237 1.00 0.00 H new ATOM 0 HA LYS A 75 6.159 12.527 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.545 9.619 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.819 10.039 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.614 11.611 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.687 10.476 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.018 8.612 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.753 9.543 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.433 9.545 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.652 11.090 6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.017 9.917 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.351 10.088 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.108 8.591 7.894 1.00 0.00 H new ATOM 1240 N TYR A 76 4.066 10.743 2.274 1.00 0.00 N ATOM 1241 CA TYR A 76 3.554 10.571 0.920 1.00 0.00 C ATOM 1242 C TYR A 76 3.138 11.911 0.320 1.00 0.00 C ATOM 1243 O TYR A 76 3.131 12.933 1.005 1.00 0.00 O ATOM 1244 CB TYR A 76 2.365 9.608 0.921 1.00 0.00 C ATOM 1245 CG TYR A 76 2.766 8.151 0.881 1.00 0.00 C ATOM 1246 CD1 TYR A 76 3.006 7.444 2.052 1.00 0.00 C ATOM 1247 CD2 TYR A 76 2.904 7.481 -0.329 1.00 0.00 C ATOM 1248 CE1 TYR A 76 3.374 6.112 2.020 1.00 0.00 C ATOM 1249 CE2 TYR A 76 3.269 6.150 -0.371 1.00 0.00 C ATOM 1250 CZ TYR A 76 3.504 5.470 0.806 1.00 0.00 C ATOM 1251 OH TYR A 76 3.868 4.143 0.770 1.00 0.00 O ATOM 0 H TYR A 76 3.599 10.171 2.977 1.00 0.00 H new ATOM 0 HA TYR A 76 4.352 10.152 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.764 9.786 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.731 9.826 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.903 7.944 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.723 8.011 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.559 5.577 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.370 5.644 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 76 4.069 3.884 -0.153 1.00 0.00 H new ATOM 1261 N GLN A 77 2.790 11.895 -0.962 1.00 0.00 N ATOM 1262 CA GLN A 77 2.372 13.108 -1.655 1.00 0.00 C ATOM 1263 C GLN A 77 0.928 12.993 -2.131 1.00 0.00 C ATOM 1264 O GLN A 77 0.067 13.774 -1.726 1.00 0.00 O ATOM 1265 CB GLN A 77 3.293 13.384 -2.845 1.00 0.00 C ATOM 1266 CG GLN A 77 4.635 13.979 -2.450 1.00 0.00 C ATOM 1267 CD GLN A 77 5.693 13.794 -3.520 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.410 13.293 -4.609 1.00 0.00 O ATOM 1269 NE2 GLN A 77 6.921 14.199 -3.216 1.00 0.00 N ATOM 0 H GLN A 77 2.789 11.056 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 77 2.439 13.939 -0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.463 12.453 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.791 14.065 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.511 15.043 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.975 13.515 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.111 14.609 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.674 14.100 -3.897 1.00 0.00 H new ATOM 1278 N ASP A 78 0.670 12.015 -2.992 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.670 11.797 -3.523 1.00 0.00 C ATOM 1280 C ASP A 78 -1.096 10.343 -3.345 1.00 0.00 C ATOM 1281 O ASP A 78 -0.278 9.483 -3.019 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.724 12.180 -5.003 1.00 0.00 C ATOM 1283 CG ASP A 78 -0.064 13.516 -5.280 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -0.242 14.446 -4.467 1.00 0.00 O ATOM 1285 OD2 ASP A 78 0.632 13.630 -6.311 1.00 0.00 O ATOM 0 H ASP A 78 1.372 11.360 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.362 12.430 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.233 11.406 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.764 12.218 -5.328 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.380 10.077 -3.559 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.913 8.728 -3.422 1.00 0.00 C ATOM 1292 C ILE A 79 -2.215 7.761 -4.373 1.00 0.00 C ATOM 1293 O ILE A 79 -1.922 6.622 -4.011 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.429 8.691 -3.693 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.162 9.642 -2.744 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.960 7.273 -3.545 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.201 9.155 -1.312 1.00 0.00 C ATOM 0 H ILE A 79 -3.070 10.778 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.728 8.419 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.608 9.020 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.677 10.618 -2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.183 9.782 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.032 7.264 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.456 6.620 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.772 6.918 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.736 9.878 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.712 8.193 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.183 9.042 -0.938 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.949 8.225 -5.589 1.00 0.00 N ATOM 1310 CA ASP A 80 -1.282 7.403 -6.592 1.00 0.00 C ATOM 1311 C ASP A 80 0.094 6.960 -6.104 1.00 0.00 C ATOM 1312 O ASP A 80 0.614 5.930 -6.533 1.00 0.00 O ATOM 1313 CB ASP A 80 -1.146 8.174 -7.906 1.00 0.00 C ATOM 1314 CG ASP A 80 0.014 9.149 -7.888 1.00 0.00 C ATOM 1315 OD1 ASP A 80 1.172 8.696 -8.008 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.235 10.365 -7.755 1.00 0.00 O ATOM 0 H ASP A 80 -2.185 9.166 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.891 6.515 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.011 7.468 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.070 8.717 -8.102 1.00 0.00 H new ATOM 1321 N SER A 81 0.678 7.745 -5.204 1.00 0.00 N ATOM 1322 CA SER A 81 1.996 7.436 -4.661 1.00 0.00 C ATOM 1323 C SER A 81 1.925 6.247 -3.709 1.00 0.00 C ATOM 1324 O SER A 81 2.867 5.460 -3.610 1.00 0.00 O ATOM 1325 CB SER A 81 2.569 8.654 -3.933 1.00 0.00 C ATOM 1326 OG SER A 81 3.943 8.473 -3.640 1.00 0.00 O ATOM 0 H SER A 81 0.260 8.599 -4.836 1.00 0.00 H new ATOM 0 HA SER A 81 2.653 7.176 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.439 9.544 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.016 8.823 -3.009 1.00 0.00 H new ATOM 0 HG SER A 81 4.286 9.265 -3.176 1.00 0.00 H new ATOM 1332 N MET A 82 0.802 6.123 -3.009 1.00 0.00 N ATOM 1333 CA MET A 82 0.608 5.029 -2.064 1.00 0.00 C ATOM 1334 C MET A 82 0.197 3.751 -2.789 1.00 0.00 C ATOM 1335 O MET A 82 0.642 2.658 -2.441 1.00 0.00 O ATOM 1336 CB MET A 82 -0.453 5.405 -1.027 1.00 0.00 C ATOM 1337 CG MET A 82 -1.010 4.211 -0.269 1.00 0.00 C ATOM 1338 SD MET A 82 -1.909 4.692 1.219 1.00 0.00 S ATOM 1339 CE MET A 82 -3.602 4.533 0.657 1.00 0.00 C ATOM 0 H MET A 82 0.013 6.766 -3.078 1.00 0.00 H new ATOM 0 HA MET A 82 1.555 4.849 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.021 6.108 -0.315 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.272 5.922 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.674 3.647 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.192 3.545 0.005 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.281 4.797 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.769 5.201 -0.188 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.788 3.504 0.349 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.656 3.897 -3.799 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.126 2.755 -4.573 1.00 0.00 C ATOM 1351 C VAL A 83 0.033 2.041 -5.259 1.00 0.00 C ATOM 1352 O VAL A 83 0.215 0.835 -5.097 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.153 3.183 -5.638 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.511 2.010 -6.538 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.397 3.758 -4.977 1.00 0.00 C ATOM 0 H VAL A 83 -1.035 4.795 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.605 2.073 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.706 3.961 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.238 2.332 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.613 1.648 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.939 1.208 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.112 4.055 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.848 3.003 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.123 4.628 -4.380 1.00 0.00 H new ATOM 1365 N GLU A 84 0.815 2.795 -6.026 1.00 0.00 N ATOM 1366 CA GLU A 84 1.957 2.233 -6.737 1.00 0.00 C ATOM 1367 C GLU A 84 2.736 1.273 -5.842 1.00 0.00 C ATOM 1368 O GLU A 84 3.378 0.340 -6.326 1.00 0.00 O ATOM 1369 CB GLU A 84 2.880 3.351 -7.229 1.00 0.00 C ATOM 1370 CG GLU A 84 3.229 4.368 -6.156 1.00 0.00 C ATOM 1371 CD GLU A 84 4.050 5.525 -6.694 1.00 0.00 C ATOM 1372 OE1 GLU A 84 3.649 6.106 -7.725 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.091 5.848 -6.086 1.00 0.00 O ATOM 0 H GLU A 84 0.678 3.795 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 84 1.580 1.678 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.800 2.909 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.402 3.865 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.310 4.754 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.784 3.874 -5.359 1.00 0.00 H new ATOM 1380 N ASP A 85 2.675 1.509 -4.537 1.00 0.00 N ATOM 1381 CA ASP A 85 3.374 0.666 -3.574 1.00 0.00 C ATOM 1382 C ASP A 85 2.595 -0.619 -3.311 1.00 0.00 C ATOM 1383 O ASP A 85 3.104 -1.720 -3.524 1.00 0.00 O ATOM 1384 CB ASP A 85 3.589 1.423 -2.262 1.00 0.00 C ATOM 1385 CG ASP A 85 4.733 2.414 -2.347 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.553 2.296 -3.282 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.809 3.308 -1.479 1.00 0.00 O ATOM 0 H ASP A 85 2.149 2.277 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 85 4.344 0.403 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.673 1.951 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.789 0.709 -1.463 1.00 0.00 H new ATOM 1392 N PHE A 86 1.359 -0.472 -2.847 1.00 0.00 N ATOM 1393 CA PHE A 86 0.510 -1.621 -2.554 1.00 0.00 C ATOM 1394 C PHE A 86 0.625 -2.676 -3.650 1.00 0.00 C ATOM 1395 O PHE A 86 0.686 -3.873 -3.371 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.947 -1.180 -2.404 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.310 -0.775 -1.004 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.089 0.520 -0.564 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.874 -1.688 -0.128 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.421 0.896 0.724 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.209 -1.319 1.161 1.00 0.00 C ATOM 1402 CZ PHE A 86 -1.983 -0.024 1.587 1.00 0.00 C ATOM 0 H PHE A 86 0.922 0.432 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 86 0.847 -2.061 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.136 -0.343 -3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.599 -1.995 -2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.652 1.244 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.054 -2.701 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.241 1.908 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.647 -2.041 1.834 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.245 0.268 2.593 1.00 0.00 H new ATOM 1412 N VAL A 87 0.652 -2.222 -4.899 1.00 0.00 N ATOM 1413 CA VAL A 87 0.759 -3.125 -6.039 1.00 0.00 C ATOM 1414 C VAL A 87 1.864 -4.153 -5.823 1.00 0.00 C ATOM 1415 O VAL A 87 1.634 -5.357 -5.930 1.00 0.00 O ATOM 1416 CB VAL A 87 1.038 -2.353 -7.342 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.219 -3.317 -8.505 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.083 -1.366 -7.627 1.00 0.00 C ATOM 0 H VAL A 87 0.601 -1.234 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.198 -3.638 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 87 1.964 -1.791 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.415 -2.754 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.059 -3.980 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.312 -3.908 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.131 -0.829 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.025 -1.905 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.160 -0.655 -6.804 1.00 0.00 H new ATOM 1428 N MET A 88 3.063 -3.669 -5.518 1.00 0.00 N ATOM 1429 CA MET A 88 4.204 -4.547 -5.285 1.00 0.00 C ATOM 1430 C MET A 88 3.905 -5.544 -4.171 1.00 0.00 C ATOM 1431 O MET A 88 4.187 -6.735 -4.298 1.00 0.00 O ATOM 1432 CB MET A 88 5.444 -3.724 -4.930 1.00 0.00 C ATOM 1433 CG MET A 88 6.752 -4.410 -5.289 1.00 0.00 C ATOM 1434 SD MET A 88 8.070 -3.238 -5.665 1.00 0.00 S ATOM 1435 CE MET A 88 8.459 -2.628 -4.026 1.00 0.00 C ATOM 0 H MET A 88 3.270 -2.674 -5.426 1.00 0.00 H new ATOM 0 HA MET A 88 4.396 -5.103 -6.203 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.393 -2.765 -5.445 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.436 -3.512 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.063 -5.047 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.593 -5.060 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.521 -1.540 -4.048 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.678 -2.933 -3.329 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.415 -3.039 -3.702 1.00 0.00 H new ATOM 1445 N MET A 89 3.332 -5.049 -3.078 1.00 0.00 N ATOM 1446 CA MET A 89 2.994 -5.898 -1.942 1.00 0.00 C ATOM 1447 C MET A 89 2.333 -7.192 -2.407 1.00 0.00 C ATOM 1448 O MET A 89 2.625 -8.270 -1.890 1.00 0.00 O ATOM 1449 CB MET A 89 2.065 -5.154 -0.981 1.00 0.00 C ATOM 1450 CG MET A 89 2.149 -5.651 0.453 1.00 0.00 C ATOM 1451 SD MET A 89 1.440 -4.488 1.635 1.00 0.00 S ATOM 1452 CE MET A 89 -0.308 -4.682 1.295 1.00 0.00 C ATOM 0 H MET A 89 3.092 -4.065 -2.956 1.00 0.00 H new ATOM 0 HA MET A 89 3.918 -6.150 -1.421 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.308 -4.092 -1.003 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.038 -5.254 -1.332 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.630 -6.606 0.533 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.193 -5.833 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.868 -3.906 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.482 -4.597 0.222 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.639 -5.662 1.639 1.00 0.00 H new ATOM 1462 N PHE A 90 1.441 -7.076 -3.385 1.00 0.00 N ATOM 1463 CA PHE A 90 0.738 -8.237 -3.919 1.00 0.00 C ATOM 1464 C PHE A 90 1.553 -8.908 -5.021 1.00 0.00 C ATOM 1465 O PHE A 90 1.606 -10.133 -5.110 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.632 -7.825 -4.462 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.343 -6.824 -3.597 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.583 -7.092 -2.259 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.771 -5.615 -4.121 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.238 -6.173 -1.461 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.426 -4.692 -3.328 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.659 -4.971 -1.995 1.00 0.00 C ATOM 0 H PHE A 90 1.188 -6.191 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 90 0.600 -8.951 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.507 -7.407 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.256 -8.713 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.255 -8.029 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.591 -5.391 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.421 -6.395 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.755 -3.754 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.169 -4.251 -1.372 1.00 0.00 H new ATOM 1482 N ASN A 91 2.188 -8.093 -5.858 1.00 0.00 N ATOM 1483 CA ASN A 91 3.000 -8.607 -6.955 1.00 0.00 C ATOM 1484 C ASN A 91 3.904 -9.739 -6.479 1.00 0.00 C ATOM 1485 O ASN A 91 3.786 -10.876 -6.936 1.00 0.00 O ATOM 1486 CB ASN A 91 3.846 -7.484 -7.560 1.00 0.00 C ATOM 1487 CG ASN A 91 4.125 -7.701 -9.035 1.00 0.00 C ATOM 1488 OD1 ASN A 91 5.006 -8.479 -9.403 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.374 -7.013 -9.887 1.00 0.00 N ATOM 0 H ASN A 91 2.156 -7.075 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 91 2.328 -8.999 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.331 -6.533 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.791 -7.414 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.516 -7.118 -10.892 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.655 -6.379 -9.537 1.00 0.00 H new ATOM 1496 N ASN A 92 4.807 -9.421 -5.557 1.00 0.00 N ATOM 1497 CA ASN A 92 5.732 -10.411 -5.019 1.00 0.00 C ATOM 1498 C ASN A 92 4.975 -11.578 -4.392 1.00 0.00 C ATOM 1499 O ASN A 92 5.369 -12.735 -4.535 1.00 0.00 O ATOM 1500 CB ASN A 92 6.652 -9.768 -3.979 1.00 0.00 C ATOM 1501 CG ASN A 92 5.912 -9.380 -2.713 1.00 0.00 C ATOM 1502 OD1 ASN A 92 4.853 -8.755 -2.768 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.469 -9.749 -1.566 1.00 0.00 N ATOM 0 H ASN A 92 4.918 -8.485 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 92 6.336 -10.793 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.454 -10.462 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.119 -8.882 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.018 -9.515 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.348 -10.266 -1.569 1.00 0.00 H new ATOM 1510 N ALA A 93 3.886 -11.265 -3.697 1.00 0.00 N ATOM 1511 CA ALA A 93 3.072 -12.287 -3.051 1.00 0.00 C ATOM 1512 C ALA A 93 2.677 -13.380 -4.038 1.00 0.00 C ATOM 1513 O ALA A 93 2.693 -14.566 -3.705 1.00 0.00 O ATOM 1514 CB ALA A 93 1.831 -11.660 -2.432 1.00 0.00 C ATOM 0 H ALA A 93 3.547 -10.312 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 93 3.668 -12.745 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.232 -12.435 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.129 -10.920 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.242 -11.175 -3.210 1.00 0.00 H new ATOM 1520 N CYS A 94 2.324 -12.974 -5.253 1.00 0.00 N ATOM 1521 CA CYS A 94 1.924 -13.920 -6.289 1.00 0.00 C ATOM 1522 C CYS A 94 2.968 -15.021 -6.453 1.00 0.00 C ATOM 1523 O CYS A 94 2.631 -16.181 -6.690 1.00 0.00 O ATOM 1524 CB CYS A 94 1.717 -13.195 -7.619 1.00 0.00 C ATOM 1525 SG CYS A 94 0.754 -14.132 -8.829 1.00 0.00 S ATOM 0 H CYS A 94 2.307 -11.997 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 94 0.984 -14.379 -5.984 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.216 -12.246 -7.429 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.691 -12.961 -8.048 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.109 -14.882 -8.210 1.00 0.00 H new ATOM 1531 N THR A 95 4.238 -14.648 -6.326 1.00 0.00 N ATOM 1532 CA THR A 95 5.331 -15.602 -6.463 1.00 0.00 C ATOM 1533 C THR A 95 5.681 -16.234 -5.121 1.00 0.00 C ATOM 1534 O THR A 95 5.671 -17.457 -4.978 1.00 0.00 O ATOM 1535 CB THR A 95 6.590 -14.934 -7.047 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.371 -14.592 -8.420 1.00 0.00 O ATOM 1537 CG2 THR A 95 7.794 -15.856 -6.934 1.00 0.00 C ATOM 0 H THR A 95 4.534 -13.692 -6.129 1.00 0.00 H new ATOM 0 HA THR A 95 4.989 -16.378 -7.148 1.00 0.00 H new ATOM 0 HB THR A 95 6.792 -14.028 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.175 -14.166 -8.783 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.671 -15.362 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.976 -16.090 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.599 -16.777 -7.483 1.00 0.00 H new ATOM 1545 N TYR A 96 5.989 -15.394 -4.139 1.00 0.00 N ATOM 1546 CA TYR A 96 6.344 -15.871 -2.808 1.00 0.00 C ATOM 1547 C TYR A 96 5.372 -16.949 -2.339 1.00 0.00 C ATOM 1548 O TYR A 96 5.780 -17.974 -1.794 1.00 0.00 O ATOM 1549 CB TYR A 96 6.354 -14.709 -1.813 1.00 0.00 C ATOM 1550 CG TYR A 96 6.673 -15.129 -0.396 1.00 0.00 C ATOM 1551 CD1 TYR A 96 7.852 -15.800 -0.097 1.00 0.00 C ATOM 1552 CD2 TYR A 96 5.795 -14.852 0.645 1.00 0.00 C ATOM 1553 CE1 TYR A 96 8.146 -16.186 1.196 1.00 0.00 C ATOM 1554 CE2 TYR A 96 6.082 -15.233 1.942 1.00 0.00 C ATOM 1555 CZ TYR A 96 7.258 -15.900 2.212 1.00 0.00 C ATOM 1556 OH TYR A 96 7.549 -16.281 3.502 1.00 0.00 O ATOM 0 H TYR A 96 6.000 -14.379 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 96 7.343 -16.305 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.086 -13.970 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.380 -14.220 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.551 -16.024 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.873 -14.330 0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.066 -16.709 1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.389 -15.010 2.740 1.00 0.00 H new ATOM 0 HH TYR A 96 6.822 -16.003 4.097 1.00 0.00 H new ATOM 1566 N ASN A 97 4.082 -16.709 -2.555 1.00 0.00 N ATOM 1567 CA ASN A 97 3.050 -17.658 -2.155 1.00 0.00 C ATOM 1568 C ASN A 97 2.644 -18.546 -3.327 1.00 0.00 C ATOM 1569 O ASN A 97 2.799 -18.168 -4.488 1.00 0.00 O ATOM 1570 CB ASN A 97 1.826 -16.915 -1.615 1.00 0.00 C ATOM 1571 CG ASN A 97 2.202 -15.660 -0.852 1.00 0.00 C ATOM 1572 OD1 ASN A 97 1.897 -14.546 -1.278 1.00 0.00 O ATOM 1573 ND2 ASN A 97 2.869 -15.835 0.283 1.00 0.00 N ATOM 0 H ASN A 97 3.727 -15.865 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 97 3.459 -18.291 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.170 -16.650 -2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.261 -17.579 -0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.149 -15.027 0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.101 -16.777 0.598 1.00 0.00 H new ATOM 1580 N GLU A 98 2.123 -19.728 -3.014 1.00 0.00 N ATOM 1581 CA GLU A 98 1.694 -20.670 -4.042 1.00 0.00 C ATOM 1582 C GLU A 98 0.423 -20.182 -4.731 1.00 0.00 C ATOM 1583 O GLU A 98 -0.388 -19.458 -4.153 1.00 0.00 O ATOM 1584 CB GLU A 98 1.457 -22.053 -3.431 1.00 0.00 C ATOM 1585 CG GLU A 98 2.712 -22.686 -2.853 1.00 0.00 C ATOM 1586 CD GLU A 98 3.876 -22.668 -3.826 1.00 0.00 C ATOM 1587 OE1 GLU A 98 3.741 -23.252 -4.921 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.920 -22.070 -3.491 1.00 0.00 O ATOM 0 H GLU A 98 1.988 -20.056 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 98 2.486 -20.741 -4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.707 -21.970 -2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.046 -22.713 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.996 -22.157 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.497 -23.716 -2.569 1.00 0.00 H new ATOM 1595 N PRO A 99 0.245 -20.585 -5.998 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.924 -20.202 -6.794 1.00 0.00 C ATOM 1597 C PRO A 99 -2.205 -20.864 -6.300 1.00 0.00 C ATOM 1598 O PRO A 99 -3.273 -20.686 -6.885 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.574 -20.697 -8.200 1.00 0.00 C ATOM 1600 CG PRO A 99 0.387 -21.814 -7.980 1.00 0.00 C ATOM 1601 CD PRO A 99 1.172 -21.448 -6.750 1.00 0.00 C ATOM 0 HA PRO A 99 -1.119 -19.131 -6.740 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.462 -21.038 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.128 -19.903 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.138 -22.759 -7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.045 -21.938 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.454 -22.331 -6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.094 -20.924 -7.003 1.00 0.00 H new ATOM 1609 N GLU A 100 -2.091 -21.629 -5.218 1.00 0.00 N ATOM 1610 CA GLU A 100 -3.242 -22.318 -4.646 1.00 0.00 C ATOM 1611 C GLU A 100 -3.285 -22.140 -3.131 1.00 0.00 C ATOM 1612 O GLU A 100 -3.558 -23.085 -2.391 1.00 0.00 O ATOM 1613 CB GLU A 100 -3.197 -23.808 -4.994 1.00 0.00 C ATOM 1614 CG GLU A 100 -3.506 -24.102 -6.452 1.00 0.00 C ATOM 1615 CD GLU A 100 -4.869 -23.590 -6.874 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -5.865 -23.936 -6.204 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.940 -22.845 -7.873 1.00 0.00 O ATOM 0 H GLU A 100 -1.214 -21.787 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.144 -21.879 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.208 -24.199 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.910 -24.341 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.741 -23.647 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.458 -25.178 -6.620 1.00 0.00 H new ATOM 1624 N SER A 101 -3.012 -20.920 -2.677 1.00 0.00 N ATOM 1625 CA SER A 101 -3.016 -20.618 -1.250 1.00 0.00 C ATOM 1626 C SER A 101 -4.136 -19.642 -0.905 1.00 0.00 C ATOM 1627 O SER A 101 -4.900 -19.221 -1.775 1.00 0.00 O ATOM 1628 CB SER A 101 -1.666 -20.032 -0.829 1.00 0.00 C ATOM 1629 OG SER A 101 -0.720 -21.058 -0.582 1.00 0.00 O ATOM 0 H SER A 101 -2.786 -20.126 -3.276 1.00 0.00 H new ATOM 0 HA SER A 101 -3.187 -21.547 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.294 -19.370 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.793 -19.426 0.068 1.00 0.00 H new ATOM 0 HG SER A 101 0.134 -20.658 -0.316 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.230 -19.287 0.372 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.257 -18.360 0.835 1.00 0.00 C ATOM 1637 C LEU A 102 -4.815 -16.914 0.638 1.00 0.00 C ATOM 1638 O LEU A 102 -5.636 -16.035 0.372 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.571 -18.613 2.311 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.717 -17.791 2.903 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -7.396 -18.556 4.029 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -6.207 -16.447 3.402 1.00 0.00 C ATOM 0 H LEU A 102 -3.608 -19.627 1.105 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.157 -18.528 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.806 -19.670 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.670 -18.416 2.893 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.452 -17.610 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.209 -17.956 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.796 -19.493 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.670 -18.768 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.036 -15.876 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.452 -16.607 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.767 -15.894 2.572 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.515 -16.675 0.766 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.964 -15.336 0.598 1.00 0.00 C ATOM 1656 C ILE A 103 -2.920 -14.940 -0.874 1.00 0.00 C ATOM 1657 O ILE A 103 -2.973 -13.758 -1.211 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.545 -15.233 1.188 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.999 -13.814 1.015 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.622 -16.246 0.528 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.392 -13.629 1.580 1.00 0.00 C ATOM 0 H ILE A 103 -2.823 -17.391 0.986 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.623 -14.654 1.136 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.593 -15.456 2.254 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.988 -13.565 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.676 -13.111 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.377 -16.161 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.005 -17.252 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.576 -16.052 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.715 -12.600 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.383 -13.847 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.082 -14.307 1.078 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.825 -15.938 -1.746 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.774 -15.694 -3.183 1.00 0.00 C ATOM 1675 C TYR A 104 -4.060 -15.034 -3.670 1.00 0.00 C ATOM 1676 O TYR A 104 -4.068 -13.859 -4.040 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.544 -17.006 -3.936 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.362 -16.824 -5.426 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.458 -16.678 -6.267 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -1.093 -16.799 -5.992 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.296 -16.513 -7.629 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -0.921 -16.633 -7.353 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.026 -16.491 -8.167 1.00 0.00 C ATOM 1684 OH TYR A 104 -1.860 -16.325 -9.523 1.00 0.00 O ATOM 0 H TYR A 104 -2.782 -16.923 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.943 -15.018 -3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.662 -17.500 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.391 -17.670 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.454 -16.694 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.226 -16.911 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.159 -16.402 -8.269 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.072 -16.615 -7.777 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.114 -15.712 -9.689 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.147 -15.797 -3.666 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.441 -15.289 -4.105 1.00 0.00 C ATOM 1696 C LYS A 105 -6.835 -14.046 -3.312 1.00 0.00 C ATOM 1697 O LYS A 105 -7.412 -13.107 -3.859 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.516 -16.368 -3.949 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.565 -16.981 -2.560 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.132 -18.390 -2.593 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.653 -18.379 -2.569 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.184 -17.958 -1.242 1.00 0.00 N ATOM 0 H LYS A 105 -5.158 -16.771 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.358 -15.017 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.489 -15.936 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.336 -17.157 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.562 -17.001 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.176 -16.357 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.785 -18.902 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.758 -18.954 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.023 -17.703 -3.340 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.027 -19.374 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.174 -18.262 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.618 -18.395 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.131 -16.923 -1.159 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.518 -14.048 -2.022 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.836 -12.920 -1.155 1.00 0.00 C ATOM 1718 C ASP A 106 -6.171 -11.643 -1.659 1.00 0.00 C ATOM 1719 O ASP A 106 -6.804 -10.590 -1.734 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.390 -13.210 0.279 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.439 -13.967 1.070 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.180 -14.766 0.460 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -7.519 -13.760 2.299 1.00 0.00 O ATOM 0 H ASP A 106 -6.041 -14.818 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.916 -12.776 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.467 -13.789 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.166 -12.270 0.784 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.891 -11.744 -2.003 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.141 -10.597 -2.501 1.00 0.00 C ATOM 1730 C ALA A 107 -4.875 -9.920 -3.654 1.00 0.00 C ATOM 1731 O ALA A 107 -5.145 -8.719 -3.611 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.749 -11.027 -2.938 1.00 0.00 C ATOM 0 H ALA A 107 -4.352 -12.608 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.048 -9.874 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.200 -10.161 -3.308 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.218 -11.458 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.830 -11.771 -3.731 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.194 -10.697 -4.683 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.896 -10.171 -5.849 1.00 0.00 C ATOM 1740 C LEU A 108 -7.031 -9.243 -5.429 1.00 0.00 C ATOM 1741 O LEU A 108 -7.184 -8.148 -5.968 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.447 -11.319 -6.697 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.409 -12.257 -7.313 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -6.090 -13.432 -7.997 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.527 -11.503 -8.298 1.00 0.00 C ATOM 0 H LEU A 108 -4.978 -11.693 -4.734 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.184 -9.597 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.120 -11.911 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.046 -10.894 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.778 -12.645 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.335 -14.089 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.678 -13.987 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.745 -13.064 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.794 -12.186 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.144 -11.087 -9.094 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.010 -10.695 -7.779 1.00 0.00 H new ATOM 1757 N VAL A 109 -7.825 -9.689 -4.460 1.00 0.00 N ATOM 1758 CA VAL A 109 -8.944 -8.898 -3.964 1.00 0.00 C ATOM 1759 C VAL A 109 -8.473 -7.544 -3.445 1.00 0.00 C ATOM 1760 O VAL A 109 -8.969 -6.498 -3.866 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.697 -9.633 -2.839 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -10.789 -8.747 -2.259 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.277 -10.942 -3.354 1.00 0.00 C ATOM 0 H VAL A 109 -7.713 -10.594 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.621 -8.746 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 109 -8.990 -9.864 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.310 -9.283 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.343 -7.840 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.498 -8.482 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.806 -11.448 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.971 -10.737 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.471 -11.580 -3.716 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.513 -7.570 -2.527 1.00 0.00 N ATOM 1774 CA LEU A 110 -6.973 -6.344 -1.950 1.00 0.00 C ATOM 1775 C LEU A 110 -6.533 -5.375 -3.043 1.00 0.00 C ATOM 1776 O LEU A 110 -6.508 -4.161 -2.837 1.00 0.00 O ATOM 1777 CB LEU A 110 -5.791 -6.666 -1.033 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.122 -7.450 0.237 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -4.853 -7.777 1.009 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.092 -6.668 1.110 1.00 0.00 C ATOM 0 H LEU A 110 -7.093 -8.427 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.761 -5.870 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.057 -7.233 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.315 -5.729 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.599 -8.387 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.109 -8.335 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.192 -8.378 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.347 -6.852 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.316 -7.242 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.643 -5.715 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.013 -6.486 0.557 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.191 -5.919 -4.206 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.755 -5.101 -5.333 1.00 0.00 C ATOM 1794 C HIS A 111 -6.949 -4.451 -6.026 1.00 0.00 C ATOM 1795 O HIS A 111 -6.986 -3.234 -6.210 1.00 0.00 O ATOM 1796 CB HIS A 111 -4.971 -5.951 -6.333 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.189 -5.143 -7.323 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.990 -5.539 -8.628 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.558 -3.952 -7.192 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.268 -4.629 -9.257 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -2.994 -3.655 -8.408 1.00 0.00 N ATOM 0 H HIS A 111 -6.207 -6.922 -4.393 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.107 -4.313 -4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.288 -6.602 -5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.665 -6.597 -6.871 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -4.345 -6.400 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.508 -3.348 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.955 -4.674 -10.290 1.00 0.00 H new ATOM 1810 N LYS A 112 -7.922 -5.270 -6.409 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.118 -4.776 -7.082 1.00 0.00 C ATOM 1812 C LYS A 112 -9.861 -3.773 -6.204 1.00 0.00 C ATOM 1813 O LYS A 112 -10.495 -2.845 -6.706 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.045 -5.940 -7.440 1.00 0.00 C ATOM 1815 CG LYS A 112 -10.947 -6.373 -6.297 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.024 -7.335 -6.771 1.00 0.00 C ATOM 1817 CE LYS A 112 -13.198 -6.595 -7.393 1.00 0.00 C ATOM 1818 NZ LYS A 112 -14.234 -6.248 -6.382 1.00 0.00 N ATOM 0 H LYS A 112 -7.906 -6.280 -6.265 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.807 -4.272 -7.997 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.663 -5.653 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.441 -6.790 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.349 -6.849 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.413 -5.496 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.601 -8.026 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.374 -7.934 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.840 -5.684 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.644 -7.212 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -15.117 -6.750 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.904 -6.529 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.405 -5.222 -6.399 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.776 -3.966 -4.892 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.438 -3.076 -3.945 1.00 0.00 C ATOM 1834 C VAL A 113 -9.792 -1.695 -3.945 1.00 0.00 C ATOM 1835 O VAL A 113 -10.480 -0.676 -4.026 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.398 -3.649 -2.515 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.158 -2.745 -1.556 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -10.964 -5.061 -2.492 1.00 0.00 C ATOM 0 H VAL A 113 -9.256 -4.730 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.476 -2.988 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.359 -3.693 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.119 -3.166 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.704 -1.754 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.197 -2.666 -1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.928 -5.451 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.997 -5.044 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.372 -5.701 -3.147 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.467 -1.667 -3.854 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.727 -0.410 -3.844 1.00 0.00 C ATOM 1850 C LEU A 114 -7.868 0.315 -5.178 1.00 0.00 C ATOM 1851 O LEU A 114 -7.848 1.545 -5.234 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.250 -0.668 -3.544 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.306 0.516 -3.756 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.362 1.464 -2.568 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.882 0.029 -3.984 1.00 0.00 C ATOM 0 H LEU A 114 -7.883 -2.500 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.145 0.223 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.162 -0.996 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.911 -1.494 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.630 1.059 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.684 2.300 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.378 1.840 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.064 0.933 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.224 0.885 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.548 -0.538 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.853 -0.609 -4.867 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.013 -0.455 -6.251 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.160 0.114 -7.587 1.00 0.00 C ATOM 1869 C LEU A 115 -9.513 0.803 -7.739 1.00 0.00 C ATOM 1870 O LEU A 115 -9.726 1.572 -8.676 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.009 -0.978 -8.647 1.00 0.00 C ATOM 1872 CG LEU A 115 -6.576 -1.390 -8.986 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -6.570 -2.441 -10.085 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -5.756 -0.177 -9.401 1.00 0.00 C ATOM 0 H LEU A 115 -8.032 -1.474 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.376 0.858 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.550 -1.862 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.494 -0.638 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.122 -1.822 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.542 -2.723 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.121 -3.320 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.042 -2.035 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.739 -0.489 -9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.208 0.285 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.733 0.543 -8.583 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.422 0.524 -6.810 1.00 0.00 N ATOM 1887 CA GLU A 116 -11.753 1.119 -6.842 1.00 0.00 C ATOM 1888 C GLU A 116 -11.799 2.393 -6.003 1.00 0.00 C ATOM 1889 O GLU A 116 -12.367 3.404 -6.419 1.00 0.00 O ATOM 1890 CB GLU A 116 -12.794 0.121 -6.330 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.094 -1.001 -7.310 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.306 -1.818 -6.907 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.351 -1.214 -6.588 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.209 -3.063 -6.912 1.00 0.00 O ATOM 0 H GLU A 116 -10.261 -0.109 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.984 1.376 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.441 -0.311 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.718 0.655 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.258 -0.578 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.226 -1.657 -7.383 1.00 0.00 H new ATOM 1901 N THR A 117 -11.197 2.338 -4.819 1.00 0.00 N ATOM 1902 CA THR A 117 -11.170 3.485 -3.921 1.00 0.00 C ATOM 1903 C THR A 117 -10.846 4.769 -4.678 1.00 0.00 C ATOM 1904 O THR A 117 -11.604 5.738 -4.628 1.00 0.00 O ATOM 1905 CB THR A 117 -10.139 3.293 -2.794 1.00 0.00 C ATOM 1906 OG1 THR A 117 -8.856 2.986 -3.351 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.567 2.178 -1.852 1.00 0.00 C ATOM 0 H THR A 117 -10.721 1.510 -4.460 1.00 0.00 H new ATOM 0 HA THR A 117 -12.165 3.566 -3.483 1.00 0.00 H new ATOM 0 HB THR A 117 -10.077 4.222 -2.227 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.959 2.319 -4.062 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.823 2.061 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.530 2.427 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.655 1.245 -2.409 1.00 0.00 H new ATOM 1915 N ARG A 118 -9.717 4.768 -5.378 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.293 5.933 -6.145 1.00 0.00 C ATOM 1917 C ARG A 118 -10.496 6.667 -6.729 1.00 0.00 C ATOM 1918 O ARG A 118 -11.357 6.060 -7.366 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.344 5.512 -7.269 1.00 0.00 C ATOM 1920 CG ARG A 118 -6.895 5.387 -6.828 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.165 6.717 -6.930 1.00 0.00 C ATOM 1922 NE ARG A 118 -5.613 6.938 -8.264 1.00 0.00 N ATOM 1923 CZ ARG A 118 -4.585 6.257 -8.756 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -3.999 5.316 -8.028 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -4.140 6.516 -9.979 1.00 0.00 N ATOM 0 H ARG A 118 -9.079 3.974 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 118 -8.769 6.610 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.675 4.556 -7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.407 6.240 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.856 5.027 -5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.389 4.645 -7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.851 7.527 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.360 6.746 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.041 7.655 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -4.338 5.114 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.209 4.794 -8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.588 7.239 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.350 5.992 -10.356 1.00 0.00 H new