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 54 TYR OH : rot 30:sc= -0.0897 USER MOD Set 1.2: A 92 ASN :FLIP amide:sc= -3.08! C(o=-3.9!,f=-3.2!) USER MOD Set 2.1: A 91 ASN : amide:sc= -0.128 K(o=1.2,f=0.086!) USER MOD Set 2.2: A 94 CYS SG : rot -18:sc= 1.25 USER MOD Set 2.3: A 95 THR OG1 : rot 72:sc= 0.0871 USER MOD Set 3.1: A 64 MET CE :methyl -174:sc= -2.32 (180deg=-2.48) USER MOD Set 3.2: A 89 MET CE :methyl -125:sc= -7.26! (180deg=-11.7!) USER MOD Set 4.1: A 70 HIS : no HD1:sc= -0.24 X(o=-1.1,f=-0.96) USER MOD Set 4.2: A 76 TYR OH : rot 30:sc= -0.875 USER MOD Set 5.1: A 62 MET CE :methyl 170:sc= -2.77 (180deg=-3.21) USER MOD Set 5.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 88 MET CE :methyl -117:sc= -1.28 (180deg=-0.358) USER MOD Set 6.1: A 47 SER OG : rot 180:sc= -0.0645 USER MOD Set 6.2: A 49 SER OG : rot 180:sc=-0.00683 USER MOD Set 7.1: A 21 ASN :FLIP amide:sc= 0 F(o=-6.9,f=-5.2) USER MOD Set 7.2: A 71 MET CE :methyl -119:sc= -2.74 (180deg=-0.705) USER MOD Set 7.3: A 72 MET CE :methyl 174:sc= -2.43 (180deg=0) USER MOD Single : A 16 MET CE :methyl -178:sc= -0.447 (180deg=-0.448) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= -0.793 (180deg=-2.85!) USER MOD Single : A 24 TYR OH : rot -40:sc= 0.0644 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2!) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0136 (180deg=-0.179) USER MOD Single : A 39 SER OG : rot 122:sc= -0.949 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 71:sc= 0.638 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= -0.0428 (180deg=-0.287) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.14! C(o=-3.1!,f=-4.1!) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00897) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -111:sc= 0.0714 USER MOD Single : A 82 MET CE :methyl 168:sc= 0 (180deg=-0.0839) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.476 F(o=-1.3,f=-0.48) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.14) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 90:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -6.528 18.119 2.617 1.00 0.00 N ATOM 196 CA PRO A 15 -7.669 17.315 2.168 1.00 0.00 C ATOM 197 C PRO A 15 -7.243 15.953 1.630 1.00 0.00 C ATOM 198 O PRO A 15 -8.078 15.083 1.388 1.00 0.00 O ATOM 199 CB PRO A 15 -8.283 18.163 1.051 1.00 0.00 C ATOM 200 CG PRO A 15 -7.156 18.996 0.545 1.00 0.00 C ATOM 201 CD PRO A 15 -6.277 19.271 1.734 1.00 0.00 C ATOM 0 HA PRO A 15 -8.358 17.095 2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.698 17.537 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.097 18.784 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.604 18.473 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.523 19.925 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.227 19.339 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.538 20.212 2.218 1.00 0.00 H new ATOM 209 N MET A 16 -5.939 15.777 1.446 1.00 0.00 N ATOM 210 CA MET A 16 -5.402 14.520 0.938 1.00 0.00 C ATOM 211 C MET A 16 -5.122 13.548 2.079 1.00 0.00 C ATOM 212 O MET A 16 -5.360 12.346 1.955 1.00 0.00 O ATOM 213 CB MET A 16 -4.121 14.772 0.141 1.00 0.00 C ATOM 214 CG MET A 16 -4.357 15.488 -1.179 1.00 0.00 C ATOM 215 SD MET A 16 -5.297 14.491 -2.351 1.00 0.00 S ATOM 216 CE MET A 16 -3.994 13.496 -3.072 1.00 0.00 C ATOM 0 H MET A 16 -5.235 16.489 1.641 1.00 0.00 H new ATOM 0 HA MET A 16 -6.148 14.075 0.280 1.00 0.00 H new ATOM 0 HB2 MET A 16 -3.436 15.363 0.748 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.631 13.818 -0.055 1.00 0.00 H new ATOM 0 HG2 MET A 16 -4.890 16.420 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.397 15.753 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.414 12.851 -3.844 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.241 14.148 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.533 12.883 -2.297 1.00 0.00 H new ATOM 226 N GLN A 17 -4.616 14.075 3.189 1.00 0.00 N ATOM 227 CA GLN A 17 -4.303 13.253 4.352 1.00 0.00 C ATOM 228 C GLN A 17 -5.470 12.335 4.700 1.00 0.00 C ATOM 229 O GLN A 17 -5.300 11.124 4.834 1.00 0.00 O ATOM 230 CB GLN A 17 -3.959 14.138 5.551 1.00 0.00 C ATOM 231 CG GLN A 17 -2.488 14.516 5.626 1.00 0.00 C ATOM 232 CD GLN A 17 -2.142 15.261 6.900 1.00 0.00 C ATOM 233 OE1 GLN A 17 -2.217 16.489 6.955 1.00 0.00 O ATOM 234 NE2 GLN A 17 -1.759 14.520 7.934 1.00 0.00 N ATOM 0 H GLN A 17 -4.414 15.068 3.308 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.439 12.635 4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.557 15.048 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.239 13.619 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.881 13.613 5.561 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.231 15.135 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.711 13.505 7.844 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.513 14.966 8.818 1.00 0.00 H new ATOM 243 N GLN A 18 -6.654 12.922 4.845 1.00 0.00 N ATOM 244 CA GLN A 18 -7.849 12.156 5.178 1.00 0.00 C ATOM 245 C GLN A 18 -8.043 10.997 4.206 1.00 0.00 C ATOM 246 O GLN A 18 -8.065 9.833 4.606 1.00 0.00 O ATOM 247 CB GLN A 18 -9.082 13.062 5.163 1.00 0.00 C ATOM 248 CG GLN A 18 -9.148 14.020 6.341 1.00 0.00 C ATOM 249 CD GLN A 18 -10.077 15.191 6.090 1.00 0.00 C ATOM 250 OE1 GLN A 18 -11.251 15.157 6.459 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.555 16.237 5.458 1.00 0.00 N ATOM 0 H GLN A 18 -6.811 13.924 4.737 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.719 11.747 6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.089 13.637 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.978 12.442 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.483 13.479 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.147 14.395 6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.577 16.223 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.133 17.054 5.261 1.00 0.00 H new ATOM 260 N LYS A 19 -8.184 11.324 2.925 1.00 0.00 N ATOM 261 CA LYS A 19 -8.375 10.311 1.894 1.00 0.00 C ATOM 262 C LYS A 19 -7.330 9.207 2.015 1.00 0.00 C ATOM 263 O LYS A 19 -7.665 8.022 2.056 1.00 0.00 O ATOM 264 CB LYS A 19 -8.300 10.948 0.504 1.00 0.00 C ATOM 265 CG LYS A 19 -8.391 9.944 -0.631 1.00 0.00 C ATOM 266 CD LYS A 19 -9.796 9.381 -0.768 1.00 0.00 C ATOM 267 CE LYS A 19 -10.710 10.341 -1.513 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.290 11.371 -0.608 1.00 0.00 N ATOM 0 H LYS A 19 -8.170 12.283 2.577 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.362 9.870 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.107 11.673 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.364 11.499 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.097 10.422 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.688 9.130 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.758 8.429 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.207 9.180 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.150 10.831 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.515 9.781 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.315 11.438 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.113 11.103 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.848 12.292 -0.802 1.00 0.00 H new ATOM 282 N LEU A 20 -6.063 9.602 2.074 1.00 0.00 N ATOM 283 CA LEU A 20 -4.968 8.645 2.193 1.00 0.00 C ATOM 284 C LEU A 20 -5.255 7.621 3.286 1.00 0.00 C ATOM 285 O LEU A 20 -5.073 6.421 3.088 1.00 0.00 O ATOM 286 CB LEU A 20 -3.657 9.375 2.494 1.00 0.00 C ATOM 287 CG LEU A 20 -3.001 10.090 1.312 1.00 0.00 C ATOM 288 CD1 LEU A 20 -2.203 11.293 1.793 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.109 9.132 0.537 1.00 0.00 C ATOM 0 H LEU A 20 -5.768 10.578 2.041 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.874 8.118 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.844 10.109 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.946 8.653 2.896 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.787 10.443 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.743 11.790 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.868 11.990 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.426 10.962 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.651 9.658 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.329 8.748 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.707 8.302 0.160 1.00 0.00 H new ATOM 301 N ASN A 21 -5.708 8.105 4.438 1.00 0.00 N ATOM 302 CA ASN A 21 -6.022 7.231 5.563 1.00 0.00 C ATOM 303 C ASN A 21 -7.216 6.337 5.240 1.00 0.00 C ATOM 304 O ASN A 21 -7.168 5.124 5.440 1.00 0.00 O ATOM 305 CB ASN A 21 -6.316 8.061 6.814 1.00 0.00 C ATOM 306 CG ASN A 21 -6.639 7.197 8.018 1.00 0.00 C ATOM 307 OD1 ASN A 21 -5.649 6.451 8.494 1.00 0.00 O flip ATOM 308 ND2 ASN A 21 -7.766 7.201 8.514 1.00 0.00 N flip ATOM 0 H ASN A 21 -5.866 9.097 4.617 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.156 6.597 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.454 8.689 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.154 8.730 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.497 7.790 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.969 6.615 9.324 1.00 0.00 H new ATOM 315 N GLU A 22 -8.286 6.947 4.739 1.00 0.00 N ATOM 316 CA GLU A 22 -9.492 6.206 4.388 1.00 0.00 C ATOM 317 C GLU A 22 -9.160 5.019 3.489 1.00 0.00 C ATOM 318 O GLU A 22 -9.689 3.922 3.668 1.00 0.00 O ATOM 319 CB GLU A 22 -10.497 7.125 3.689 1.00 0.00 C ATOM 320 CG GLU A 22 -10.991 8.264 4.564 1.00 0.00 C ATOM 321 CD GLU A 22 -12.030 7.816 5.573 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.749 6.868 6.334 1.00 0.00 O ATOM 323 OE2 GLU A 22 -13.126 8.416 5.601 1.00 0.00 O ATOM 0 H GLU A 22 -8.342 7.951 4.567 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.936 5.828 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.035 7.540 2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.351 6.533 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.145 8.706 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.416 9.044 3.933 1.00 0.00 H new ATOM 330 N VAL A 23 -8.280 5.247 2.519 1.00 0.00 N ATOM 331 CA VAL A 23 -7.875 4.198 1.591 1.00 0.00 C ATOM 332 C VAL A 23 -7.115 3.090 2.311 1.00 0.00 C ATOM 333 O VAL A 23 -7.338 1.906 2.061 1.00 0.00 O ATOM 334 CB VAL A 23 -6.994 4.759 0.459 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.432 3.629 -0.390 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.784 5.737 -0.396 1.00 0.00 C ATOM 0 H VAL A 23 -7.834 6.150 2.356 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.788 3.787 1.160 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.157 5.296 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.812 4.044 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.828 2.970 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.252 3.061 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.146 6.123 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.641 5.226 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.132 6.563 0.224 1.00 0.00 H new ATOM 346 N TYR A 24 -6.216 3.483 3.207 1.00 0.00 N ATOM 347 CA TYR A 24 -5.421 2.524 3.963 1.00 0.00 C ATOM 348 C TYR A 24 -6.306 1.683 4.878 1.00 0.00 C ATOM 349 O TYR A 24 -6.051 0.498 5.088 1.00 0.00 O ATOM 350 CB TYR A 24 -4.358 3.250 4.790 1.00 0.00 C ATOM 351 CG TYR A 24 -3.554 2.332 5.683 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.555 1.520 5.158 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.793 2.276 7.050 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.818 0.680 5.970 1.00 0.00 C ATOM 355 CE2 TYR A 24 -3.061 1.439 7.870 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.074 0.643 7.325 1.00 0.00 C ATOM 357 OH TYR A 24 -1.343 -0.193 8.138 1.00 0.00 O ATOM 0 H TYR A 24 -6.020 4.460 3.427 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.929 1.860 3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.680 3.773 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.843 4.008 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.352 1.546 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.565 2.898 7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.045 0.056 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.260 1.408 8.931 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.196 -1.047 7.681 1.00 0.00 H new ATOM 367 N GLU A 25 -7.347 2.307 5.420 1.00 0.00 N ATOM 368 CA GLU A 25 -8.271 1.617 6.313 1.00 0.00 C ATOM 369 C GLU A 25 -9.242 0.745 5.523 1.00 0.00 C ATOM 370 O GLU A 25 -9.621 -0.339 5.966 1.00 0.00 O ATOM 371 CB GLU A 25 -9.048 2.628 7.159 1.00 0.00 C ATOM 372 CG GLU A 25 -8.245 3.198 8.316 1.00 0.00 C ATOM 373 CD GLU A 25 -9.125 3.760 9.416 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.844 4.746 9.154 1.00 0.00 O ATOM 375 OE2 GLU A 25 -9.094 3.213 10.538 1.00 0.00 O ATOM 0 H GLU A 25 -7.572 3.288 5.257 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.687 0.975 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.379 3.446 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.944 2.148 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.607 2.417 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.587 3.984 7.945 1.00 0.00 H new ATOM 382 N ALA A 26 -9.641 1.227 4.350 1.00 0.00 N ATOM 383 CA ALA A 26 -10.566 0.491 3.497 1.00 0.00 C ATOM 384 C ALA A 26 -10.033 -0.902 3.181 1.00 0.00 C ATOM 385 O ALA A 26 -10.802 -1.836 2.958 1.00 0.00 O ATOM 386 CB ALA A 26 -10.827 1.264 2.212 1.00 0.00 C ATOM 0 H ALA A 26 -9.338 2.123 3.969 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.506 0.376 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.519 0.703 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.261 2.235 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.888 1.409 1.677 1.00 0.00 H new ATOM 392 N VAL A 27 -8.710 -1.033 3.161 1.00 0.00 N ATOM 393 CA VAL A 27 -8.073 -2.313 2.872 1.00 0.00 C ATOM 394 C VAL A 27 -7.705 -3.046 4.157 1.00 0.00 C ATOM 395 O VAL A 27 -8.020 -4.224 4.325 1.00 0.00 O ATOM 396 CB VAL A 27 -6.805 -2.128 2.018 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.081 -3.454 1.844 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.157 -1.522 0.667 1.00 0.00 C ATOM 0 H VAL A 27 -8.059 -0.269 3.341 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.795 -2.907 2.313 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.136 -1.441 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.188 -3.304 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.795 -3.844 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.740 -4.166 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.249 -1.398 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.846 -2.183 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.629 -0.551 0.816 1.00 0.00 H new ATOM 408 N LYS A 28 -7.035 -2.341 5.063 1.00 0.00 N ATOM 409 CA LYS A 28 -6.624 -2.923 6.335 1.00 0.00 C ATOM 410 C LYS A 28 -7.827 -3.472 7.096 1.00 0.00 C ATOM 411 O LYS A 28 -7.731 -4.498 7.769 1.00 0.00 O ATOM 412 CB LYS A 28 -5.902 -1.878 7.188 1.00 0.00 C ATOM 413 CG LYS A 28 -5.232 -2.457 8.422 1.00 0.00 C ATOM 414 CD LYS A 28 -4.752 -1.363 9.361 1.00 0.00 C ATOM 415 CE LYS A 28 -3.838 -1.918 10.442 1.00 0.00 C ATOM 416 NZ LYS A 28 -3.715 -0.987 11.597 1.00 0.00 N ATOM 0 H LYS A 28 -6.765 -1.365 4.939 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.942 -3.747 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.150 -1.379 6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.618 -1.116 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.933 -3.106 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.387 -3.076 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.222 -0.600 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.611 -0.876 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.225 -2.876 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.850 -2.106 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.084 -1.402 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.322 -0.081 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.654 -0.827 12.015 1.00 0.00 H new ATOM 430 N ASN A 29 -8.958 -2.784 6.983 1.00 0.00 N ATOM 431 CA ASN A 29 -10.179 -3.204 7.659 1.00 0.00 C ATOM 432 C ASN A 29 -11.080 -3.995 6.715 1.00 0.00 C ATOM 433 O ASN A 29 -12.231 -4.289 7.039 1.00 0.00 O ATOM 434 CB ASN A 29 -10.933 -1.987 8.200 1.00 0.00 C ATOM 435 CG ASN A 29 -12.336 -2.332 8.658 1.00 0.00 C ATOM 436 OD1 ASN A 29 -12.554 -3.348 9.318 1.00 0.00 O ATOM 437 ND2 ASN A 29 -13.298 -1.485 8.308 1.00 0.00 N ATOM 0 H ASN A 29 -9.054 -1.933 6.429 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.899 -3.849 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.376 -1.560 9.034 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -10.985 -1.222 7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.262 -1.665 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.072 -0.655 7.760 1.00 0.00 H new ATOM 444 N TYR A 30 -10.548 -4.337 5.547 1.00 0.00 N ATOM 445 CA TYR A 30 -11.303 -5.093 4.555 1.00 0.00 C ATOM 446 C TYR A 30 -11.581 -6.510 5.045 1.00 0.00 C ATOM 447 O TYR A 30 -10.783 -7.094 5.780 1.00 0.00 O ATOM 448 CB TYR A 30 -10.540 -5.139 3.230 1.00 0.00 C ATOM 449 CG TYR A 30 -11.299 -5.830 2.119 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.330 -5.184 1.448 1.00 0.00 C ATOM 451 CD2 TYR A 30 -10.983 -7.129 1.739 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.025 -5.811 0.433 1.00 0.00 C ATOM 453 CE2 TYR A 30 -11.673 -7.764 0.725 1.00 0.00 C ATOM 454 CZ TYR A 30 -12.693 -7.101 0.075 1.00 0.00 C ATOM 455 OH TYR A 30 -13.383 -7.729 -0.937 1.00 0.00 O ATOM 0 H TYR A 30 -9.597 -4.103 5.264 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.257 -4.589 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.305 -4.121 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.591 -5.652 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.592 -4.174 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.184 -7.651 2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.824 -5.294 -0.078 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.415 -8.774 0.443 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.697 -7.061 -1.582 1.00 0.00 H new ATOM 465 N THR A 31 -12.719 -7.060 4.633 1.00 0.00 N ATOM 466 CA THR A 31 -13.104 -8.409 5.029 1.00 0.00 C ATOM 467 C THR A 31 -13.848 -9.121 3.905 1.00 0.00 C ATOM 468 O THR A 31 -14.102 -8.539 2.850 1.00 0.00 O ATOM 469 CB THR A 31 -13.991 -8.393 6.288 1.00 0.00 C ATOM 470 OG1 THR A 31 -15.087 -7.490 6.103 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.188 -7.979 7.511 1.00 0.00 C ATOM 0 H THR A 31 -13.391 -6.591 4.025 1.00 0.00 H new ATOM 0 HA THR A 31 -12.183 -8.949 5.250 1.00 0.00 H new ATOM 0 HB THR A 31 -14.374 -9.401 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.647 -7.487 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.836 -7.975 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.372 -8.685 7.666 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.780 -6.980 7.357 1.00 0.00 H new ATOM 479 N ASP A 32 -14.196 -10.381 4.138 1.00 0.00 N ATOM 480 CA ASP A 32 -14.913 -11.172 3.145 1.00 0.00 C ATOM 481 C ASP A 32 -16.360 -11.398 3.572 1.00 0.00 C ATOM 482 O ASP A 32 -16.793 -10.912 4.618 1.00 0.00 O ATOM 483 CB ASP A 32 -14.216 -12.517 2.932 1.00 0.00 C ATOM 484 CG ASP A 32 -13.572 -13.042 4.199 1.00 0.00 C ATOM 485 OD1 ASP A 32 -14.306 -13.555 5.070 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.333 -12.942 4.320 1.00 0.00 O ATOM 0 H ASP A 32 -13.993 -10.877 5.006 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.912 -10.618 2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.941 -13.245 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.455 -12.410 2.159 1.00 0.00 H new ATOM 491 N LYS A 33 -17.104 -12.137 2.757 1.00 0.00 N ATOM 492 CA LYS A 33 -18.503 -12.428 3.049 1.00 0.00 C ATOM 493 C LYS A 33 -18.643 -13.125 4.399 1.00 0.00 C ATOM 494 O LYS A 33 -19.732 -13.175 4.972 1.00 0.00 O ATOM 495 CB LYS A 33 -19.104 -13.303 1.947 1.00 0.00 C ATOM 496 CG LYS A 33 -19.497 -12.528 0.701 1.00 0.00 C ATOM 497 CD LYS A 33 -19.382 -13.385 -0.548 1.00 0.00 C ATOM 498 CE LYS A 33 -20.116 -12.758 -1.724 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.594 -12.824 -1.555 1.00 0.00 N ATOM 0 H LYS A 33 -16.761 -12.546 1.888 1.00 0.00 H new ATOM 0 HA LYS A 33 -19.044 -11.483 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.383 -14.074 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.983 -13.814 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -20.521 -12.168 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.859 -11.650 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.331 -13.519 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.790 -14.376 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.809 -11.718 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.833 -13.270 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -22.056 -12.644 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.862 -13.768 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.897 -12.106 -0.866 1.00 0.00 H new ATOM 513 N ARG A 34 -17.535 -13.659 4.902 1.00 0.00 N ATOM 514 CA ARG A 34 -17.535 -14.352 6.185 1.00 0.00 C ATOM 515 C ARG A 34 -17.136 -13.406 7.313 1.00 0.00 C ATOM 516 O ARG A 34 -17.760 -13.389 8.373 1.00 0.00 O ATOM 517 CB ARG A 34 -16.580 -15.546 6.143 1.00 0.00 C ATOM 518 CG ARG A 34 -17.088 -16.703 5.299 1.00 0.00 C ATOM 519 CD ARG A 34 -18.118 -17.531 6.052 1.00 0.00 C ATOM 520 NE ARG A 34 -17.496 -18.426 7.025 1.00 0.00 N ATOM 521 CZ ARG A 34 -18.124 -19.455 7.583 1.00 0.00 C ATOM 522 NH1 ARG A 34 -19.384 -19.718 7.266 1.00 0.00 N ATOM 523 NH2 ARG A 34 -17.491 -20.223 8.460 1.00 0.00 N ATOM 0 H ARG A 34 -16.626 -13.625 4.441 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.546 -14.711 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.617 -15.217 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.407 -15.898 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.530 -16.318 4.380 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.251 -17.338 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.813 -16.866 6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.701 -18.117 5.342 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.527 -18.251 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.874 -19.130 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.864 -20.509 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.521 -20.024 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.974 -21.013 8.888 1.00 0.00 H new ATOM 537 N GLY A 35 -16.089 -12.620 7.078 1.00 0.00 N ATOM 538 CA GLY A 35 -15.624 -11.683 8.084 1.00 0.00 C ATOM 539 C GLY A 35 -14.130 -11.779 8.319 1.00 0.00 C ATOM 540 O GLY A 35 -13.573 -11.039 9.130 1.00 0.00 O ATOM 0 H GLY A 35 -15.555 -12.616 6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.876 -10.668 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.149 -11.870 9.021 1.00 0.00 H new ATOM 544 N ARG A 36 -13.479 -12.695 7.609 1.00 0.00 N ATOM 545 CA ARG A 36 -12.040 -12.888 7.746 1.00 0.00 C ATOM 546 C ARG A 36 -11.273 -11.735 7.105 1.00 0.00 C ATOM 547 O ARG A 36 -11.531 -11.366 5.959 1.00 0.00 O ATOM 548 CB ARG A 36 -11.618 -14.212 7.108 1.00 0.00 C ATOM 549 CG ARG A 36 -12.227 -15.433 7.779 1.00 0.00 C ATOM 550 CD ARG A 36 -11.877 -16.711 7.032 1.00 0.00 C ATOM 551 NE ARG A 36 -11.880 -17.877 7.912 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.352 -19.050 7.579 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.783 -19.212 6.393 1.00 0.00 N ATOM 554 NH2 ARG A 36 -11.394 -20.064 8.434 1.00 0.00 N ATOM 0 H ARG A 36 -13.925 -13.315 6.933 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.802 -12.913 8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.903 -14.206 6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.532 -14.293 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.870 -15.501 8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.310 -15.322 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.591 -16.865 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.894 -16.605 6.573 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.311 -17.786 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.750 -18.435 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.379 -20.114 6.140 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.832 -19.943 9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.989 -20.964 8.178 1.00 0.00 H new ATOM 568 N ARG A 37 -10.331 -11.169 7.853 1.00 0.00 N ATOM 569 CA ARG A 37 -9.529 -10.057 7.359 1.00 0.00 C ATOM 570 C ARG A 37 -8.587 -10.517 6.250 1.00 0.00 C ATOM 571 O ARG A 37 -7.972 -11.581 6.344 1.00 0.00 O ATOM 572 CB ARG A 37 -8.723 -9.435 8.501 1.00 0.00 C ATOM 573 CG ARG A 37 -8.200 -8.042 8.188 1.00 0.00 C ATOM 574 CD ARG A 37 -7.447 -7.452 9.370 1.00 0.00 C ATOM 575 NE ARG A 37 -6.499 -8.402 9.946 1.00 0.00 N ATOM 576 CZ ARG A 37 -6.816 -9.270 10.899 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.051 -9.309 11.382 1.00 0.00 N ATOM 578 NH2 ARG A 37 -5.898 -10.103 11.372 1.00 0.00 N ATOM 0 H ARG A 37 -10.105 -11.463 8.803 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.206 -9.307 6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.349 -9.387 9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.881 -10.086 8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.541 -8.086 7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.033 -7.390 7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.914 -6.557 9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.159 -7.142 10.135 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.541 -8.398 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.760 -8.671 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.291 -9.977 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.947 -10.077 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.143 -10.769 12.104 1.00 0.00 H new ATOM 592 N LEU A 38 -8.479 -9.710 5.200 1.00 0.00 N ATOM 593 CA LEU A 38 -7.613 -10.034 4.072 1.00 0.00 C ATOM 594 C LEU A 38 -6.205 -9.490 4.292 1.00 0.00 C ATOM 595 O LEU A 38 -5.227 -10.236 4.254 1.00 0.00 O ATOM 596 CB LEU A 38 -8.195 -9.466 2.776 1.00 0.00 C ATOM 597 CG LEU A 38 -9.460 -10.147 2.253 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.147 -11.553 1.767 1.00 0.00 C ATOM 599 CD2 LEU A 38 -10.533 -10.181 3.332 1.00 0.00 C ATOM 0 H LEU A 38 -8.980 -8.827 5.106 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.555 -11.119 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.413 -8.409 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.430 -9.523 2.002 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.838 -9.569 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.059 -12.022 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.413 -11.505 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.744 -12.142 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.426 -10.669 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.164 -10.735 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.779 -9.163 3.633 1.00 0.00 H new ATOM 611 N SER A 39 -6.111 -8.184 4.524 1.00 0.00 N ATOM 612 CA SER A 39 -4.823 -7.539 4.749 1.00 0.00 C ATOM 613 C SER A 39 -4.060 -8.228 5.877 1.00 0.00 C ATOM 614 O SER A 39 -2.859 -8.021 6.045 1.00 0.00 O ATOM 615 CB SER A 39 -5.021 -6.059 5.082 1.00 0.00 C ATOM 616 OG SER A 39 -5.375 -5.886 6.444 1.00 0.00 O ATOM 0 H SER A 39 -6.911 -7.553 4.561 1.00 0.00 H new ATOM 0 HA SER A 39 -4.238 -7.623 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.104 -5.509 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.800 -5.640 4.444 1.00 0.00 H new ATOM 0 HG SER A 39 -4.719 -5.304 6.881 1.00 0.00 H new ATOM 622 N ALA A 40 -4.768 -9.048 6.647 1.00 0.00 N ATOM 623 CA ALA A 40 -4.158 -9.770 7.757 1.00 0.00 C ATOM 624 C ALA A 40 -2.786 -10.311 7.372 1.00 0.00 C ATOM 625 O ALA A 40 -1.786 -10.017 8.029 1.00 0.00 O ATOM 626 CB ALA A 40 -5.066 -10.902 8.212 1.00 0.00 C ATOM 0 H ALA A 40 -5.764 -9.229 6.523 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.025 -9.072 8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.598 -11.433 9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.023 -10.493 8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.229 -11.593 7.385 1.00 0.00 H new ATOM 632 N ILE A 41 -2.745 -11.103 6.306 1.00 0.00 N ATOM 633 CA ILE A 41 -1.494 -11.685 5.835 1.00 0.00 C ATOM 634 C ILE A 41 -0.597 -10.624 5.205 1.00 0.00 C ATOM 635 O ILE A 41 0.596 -10.847 5.000 1.00 0.00 O ATOM 636 CB ILE A 41 -1.746 -12.804 4.808 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.444 -13.548 4.502 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.345 -12.229 3.533 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.650 -15.003 4.142 1.00 0.00 C ATOM 0 H ILE A 41 -3.563 -11.356 5.752 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.995 -12.109 6.706 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.457 -13.513 5.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.066 -13.047 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.213 -13.486 5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.517 -13.033 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.291 -11.740 3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.656 -11.502 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.315 -15.467 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.132 -15.519 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.281 -15.073 3.256 1.00 0.00 H new ATOM 651 N PHE A 42 -1.180 -9.469 4.901 1.00 0.00 N ATOM 652 CA PHE A 42 -0.434 -8.373 4.295 1.00 0.00 C ATOM 653 C PHE A 42 -0.245 -7.229 5.288 1.00 0.00 C ATOM 654 O PHE A 42 -0.142 -6.065 4.899 1.00 0.00 O ATOM 655 CB PHE A 42 -1.157 -7.865 3.046 1.00 0.00 C ATOM 656 CG PHE A 42 -0.976 -8.751 1.847 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.270 -8.900 1.260 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.053 -9.437 1.307 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.438 -9.714 0.156 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.890 -10.253 0.204 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.643 -10.393 -0.372 1.00 0.00 C ATOM 0 H PHE A 42 -2.167 -9.268 5.064 1.00 0.00 H new ATOM 0 HA PHE A 42 0.548 -8.749 4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.221 -7.774 3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.794 -6.865 2.807 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.120 -8.374 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.031 -9.332 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.414 -9.819 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.738 -10.781 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.513 -11.032 -1.233 1.00 0.00 H new ATOM 671 N LEU A 43 -0.202 -7.569 6.571 1.00 0.00 N ATOM 672 CA LEU A 43 -0.026 -6.572 7.621 1.00 0.00 C ATOM 673 C LEU A 43 1.445 -6.433 7.999 1.00 0.00 C ATOM 674 O LEU A 43 2.080 -5.421 7.701 1.00 0.00 O ATOM 675 CB LEU A 43 -0.848 -6.951 8.854 1.00 0.00 C ATOM 676 CG LEU A 43 -2.319 -6.535 8.835 1.00 0.00 C ATOM 677 CD1 LEU A 43 -3.075 -7.190 9.980 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.445 -5.020 8.907 1.00 0.00 C ATOM 0 H LEU A 43 -0.287 -8.527 6.910 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.376 -5.613 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.799 -8.033 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.377 -6.506 9.731 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.760 -6.873 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.120 -6.882 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.014 -8.274 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.634 -6.885 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.499 -4.741 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.987 -4.660 9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.939 -4.572 8.052 1.00 0.00 H new ATOM 690 N ARG A 44 1.982 -7.457 8.655 1.00 0.00 N ATOM 691 CA ARG A 44 3.378 -7.449 9.073 1.00 0.00 C ATOM 692 C ARG A 44 4.170 -8.531 8.345 1.00 0.00 C ATOM 693 O ARG A 44 3.596 -9.476 7.803 1.00 0.00 O ATOM 694 CB ARG A 44 3.482 -7.657 10.585 1.00 0.00 C ATOM 695 CG ARG A 44 2.819 -6.558 11.399 1.00 0.00 C ATOM 696 CD ARG A 44 3.163 -6.672 12.875 1.00 0.00 C ATOM 697 NE ARG A 44 2.887 -5.434 13.599 1.00 0.00 N ATOM 698 CZ ARG A 44 1.662 -5.002 13.876 1.00 0.00 C ATOM 699 NH1 ARG A 44 0.605 -5.704 13.492 1.00 0.00 N ATOM 700 NH2 ARG A 44 1.493 -3.865 14.539 1.00 0.00 N ATOM 0 H ARG A 44 1.471 -8.303 8.908 1.00 0.00 H new ATOM 0 HA ARG A 44 3.801 -6.478 8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.027 -8.613 10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.534 -7.719 10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.137 -5.585 11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.738 -6.611 11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.591 -7.487 13.319 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.217 -6.928 12.983 1.00 0.00 H new ATOM 0 HE ARG A 44 3.678 -4.870 13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.731 -6.578 12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.335 -5.370 13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.304 -3.322 14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.552 -3.534 14.752 1.00 0.00 H new ATOM 714 N LEU A 45 5.490 -8.385 8.335 1.00 0.00 N ATOM 715 CA LEU A 45 6.362 -9.349 7.672 1.00 0.00 C ATOM 716 C LEU A 45 7.095 -10.212 8.694 1.00 0.00 C ATOM 717 O LEU A 45 7.301 -9.819 9.842 1.00 0.00 O ATOM 718 CB LEU A 45 7.372 -8.625 6.780 1.00 0.00 C ATOM 719 CG LEU A 45 6.825 -8.059 5.469 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.915 -7.315 4.714 1.00 0.00 C ATOM 721 CD2 LEU A 45 6.243 -9.172 4.610 1.00 0.00 C ATOM 0 H LEU A 45 5.980 -7.608 8.778 1.00 0.00 H new ATOM 0 HA LEU A 45 5.742 -9.998 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.810 -7.806 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.180 -9.317 6.544 1.00 0.00 H new ATOM 0 HG LEU A 45 6.028 -7.354 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.508 -6.919 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.286 -6.493 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.734 -7.999 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.858 -8.751 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.021 -9.901 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.432 -9.662 5.149 1.00 0.00 H new ATOM 733 N PRO A 46 7.501 -11.417 8.268 1.00 0.00 N ATOM 734 CA PRO A 46 8.221 -12.360 9.129 1.00 0.00 C ATOM 735 C PRO A 46 9.635 -11.889 9.451 1.00 0.00 C ATOM 736 O PRO A 46 10.511 -11.889 8.586 1.00 0.00 O ATOM 737 CB PRO A 46 8.262 -13.643 8.295 1.00 0.00 C ATOM 738 CG PRO A 46 8.158 -13.180 6.882 1.00 0.00 C ATOM 739 CD PRO A 46 7.290 -11.952 6.912 1.00 0.00 C ATOM 0 HA PRO A 46 7.734 -12.480 10.097 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.186 -14.195 8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.440 -14.310 8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.142 -12.952 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.720 -13.952 6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.584 -11.234 6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.243 -12.196 6.735 1.00 0.00 H new ATOM 747 N SER A 47 9.850 -11.488 10.699 1.00 0.00 N ATOM 748 CA SER A 47 11.158 -11.010 11.134 1.00 0.00 C ATOM 749 C SER A 47 12.275 -11.836 10.504 1.00 0.00 C ATOM 750 O SER A 47 12.062 -12.977 10.092 1.00 0.00 O ATOM 751 CB SER A 47 11.264 -11.067 12.659 1.00 0.00 C ATOM 752 OG SER A 47 12.568 -10.721 13.093 1.00 0.00 O ATOM 0 H SER A 47 9.136 -11.484 11.427 1.00 0.00 H new ATOM 0 HA SER A 47 11.266 -9.976 10.808 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.537 -10.387 13.103 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.016 -12.070 13.007 1.00 0.00 H new ATOM 0 HG SER A 47 12.609 -10.763 14.071 1.00 0.00 H new ATOM 758 N ARG A 48 13.466 -11.252 10.433 1.00 0.00 N ATOM 759 CA ARG A 48 14.617 -11.933 9.852 1.00 0.00 C ATOM 760 C ARG A 48 14.917 -13.229 10.600 1.00 0.00 C ATOM 761 O ARG A 48 14.922 -14.310 10.011 1.00 0.00 O ATOM 762 CB ARG A 48 15.844 -11.019 9.881 1.00 0.00 C ATOM 763 CG ARG A 48 17.115 -11.691 9.385 1.00 0.00 C ATOM 764 CD ARG A 48 18.355 -10.921 9.812 1.00 0.00 C ATOM 765 NE ARG A 48 19.564 -11.432 9.172 1.00 0.00 N ATOM 766 CZ ARG A 48 20.773 -10.921 9.372 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.934 -9.890 10.191 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.826 -11.441 8.753 1.00 0.00 N ATOM 0 H ARG A 48 13.660 -10.309 10.770 1.00 0.00 H new ATOM 0 HA ARG A 48 14.379 -12.178 8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 48 15.646 -10.139 9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.002 -10.669 10.901 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.165 -12.708 9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.088 -11.766 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.231 -9.867 9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.465 -10.982 10.895 1.00 0.00 H new ATOM 0 HE ARG A 48 19.475 -12.225 8.537 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.128 -9.488 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.864 -9.500 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.707 -12.234 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.754 -11.047 8.908 1.00 0.00 H new ATOM 782 N SER A 49 15.167 -13.111 11.900 1.00 0.00 N ATOM 783 CA SER A 49 15.472 -14.273 12.727 1.00 0.00 C ATOM 784 C SER A 49 14.585 -15.456 12.351 1.00 0.00 C ATOM 785 O SER A 49 15.034 -16.601 12.334 1.00 0.00 O ATOM 786 CB SER A 49 15.289 -13.933 14.208 1.00 0.00 C ATOM 787 OG SER A 49 13.922 -13.718 14.516 1.00 0.00 O ATOM 0 H SER A 49 15.164 -12.224 12.403 1.00 0.00 H new ATOM 0 HA SER A 49 16.511 -14.551 12.551 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.680 -14.744 14.822 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.865 -13.041 14.454 1.00 0.00 H new ATOM 0 HG SER A 49 13.831 -13.504 15.468 1.00 0.00 H new ATOM 793 N GLU A 50 13.322 -15.168 12.052 1.00 0.00 N ATOM 794 CA GLU A 50 12.371 -16.208 11.677 1.00 0.00 C ATOM 795 C GLU A 50 12.669 -16.740 10.278 1.00 0.00 C ATOM 796 O GLU A 50 12.968 -17.922 10.102 1.00 0.00 O ATOM 797 CB GLU A 50 10.941 -15.667 11.734 1.00 0.00 C ATOM 798 CG GLU A 50 9.915 -16.591 11.101 1.00 0.00 C ATOM 799 CD GLU A 50 9.520 -17.737 12.012 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.231 -18.765 12.013 1.00 0.00 O ATOM 801 OE2 GLU A 50 8.502 -17.608 12.723 1.00 0.00 O ATOM 0 H GLU A 50 12.934 -14.225 12.062 1.00 0.00 H new ATOM 0 HA GLU A 50 12.471 -17.028 12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.668 -15.494 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.907 -14.701 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.026 -16.016 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.318 -16.993 10.172 1.00 0.00 H new ATOM 808 N LEU A 51 12.586 -15.860 9.287 1.00 0.00 N ATOM 809 CA LEU A 51 12.847 -16.240 7.903 1.00 0.00 C ATOM 810 C LEU A 51 13.873 -15.308 7.266 1.00 0.00 C ATOM 811 O LEU A 51 13.534 -14.381 6.530 1.00 0.00 O ATOM 812 CB LEU A 51 11.549 -16.216 7.094 1.00 0.00 C ATOM 813 CG LEU A 51 11.613 -16.849 5.703 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.843 -18.348 5.808 1.00 0.00 C ATOM 815 CD2 LEU A 51 10.339 -16.556 4.925 1.00 0.00 C ATOM 0 H LEU A 51 12.340 -14.878 9.416 1.00 0.00 H new ATOM 0 HA LEU A 51 13.252 -17.252 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.777 -16.727 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.231 -15.179 6.985 1.00 0.00 H new ATOM 0 HG LEU A 51 12.453 -16.411 5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.886 -18.780 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.784 -18.536 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.025 -18.803 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.402 -17.014 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.483 -16.966 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.218 -15.478 4.818 1.00 0.00 H new ATOM 827 N PRO A 52 15.159 -15.558 7.554 1.00 0.00 N ATOM 828 CA PRO A 52 16.261 -14.755 7.018 1.00 0.00 C ATOM 829 C PRO A 52 16.454 -14.962 5.519 1.00 0.00 C ATOM 830 O PRO A 52 17.369 -14.399 4.918 1.00 0.00 O ATOM 831 CB PRO A 52 17.481 -15.265 7.789 1.00 0.00 C ATOM 832 CG PRO A 52 17.121 -16.654 8.190 1.00 0.00 C ATOM 833 CD PRO A 52 15.636 -16.646 8.424 1.00 0.00 C ATOM 0 HA PRO A 52 16.081 -13.687 7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.376 -15.252 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.688 -14.643 8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.389 -17.367 7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.657 -16.951 9.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.182 -17.601 8.159 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.395 -16.459 9.470 1.00 0.00 H new ATOM 841 N ASP A 53 15.587 -15.772 4.922 1.00 0.00 N ATOM 842 CA ASP A 53 15.662 -16.052 3.493 1.00 0.00 C ATOM 843 C ASP A 53 14.784 -15.086 2.704 1.00 0.00 C ATOM 844 O ASP A 53 15.065 -14.782 1.544 1.00 0.00 O ATOM 845 CB ASP A 53 15.236 -17.494 3.211 1.00 0.00 C ATOM 846 CG ASP A 53 15.597 -17.941 1.809 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.738 -17.675 1.377 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.739 -18.557 1.142 1.00 0.00 O ATOM 0 H ASP A 53 14.824 -16.246 5.405 1.00 0.00 H new ATOM 0 HA ASP A 53 16.696 -15.918 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.710 -18.158 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.159 -17.586 3.352 1.00 0.00 H new ATOM 853 N TYR A 54 13.720 -14.607 3.339 1.00 0.00 N ATOM 854 CA TYR A 54 12.800 -13.678 2.695 1.00 0.00 C ATOM 855 C TYR A 54 13.551 -12.493 2.096 1.00 0.00 C ATOM 856 O TYR A 54 13.571 -12.307 0.879 1.00 0.00 O ATOM 857 CB TYR A 54 11.758 -13.181 3.699 1.00 0.00 C ATOM 858 CG TYR A 54 11.066 -11.906 3.272 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.909 -11.944 2.504 1.00 0.00 C ATOM 860 CD2 TYR A 54 11.569 -10.664 3.638 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.274 -10.782 2.111 1.00 0.00 C ATOM 862 CE2 TYR A 54 10.939 -9.496 3.252 1.00 0.00 C ATOM 863 CZ TYR A 54 9.792 -9.561 2.488 1.00 0.00 C ATOM 864 OH TYR A 54 9.162 -8.401 2.100 1.00 0.00 O ATOM 0 H TYR A 54 13.474 -14.847 4.299 1.00 0.00 H new ATOM 0 HA TYR A 54 12.294 -14.209 1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.009 -13.959 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.242 -13.017 4.662 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.499 -12.899 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.468 -10.610 4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.377 -10.830 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.342 -8.538 3.547 1.00 0.00 H new ATOM 0 HH TYR A 54 8.200 -8.566 2.010 1.00 0.00 H new ATOM 874 N TYR A 55 14.169 -11.696 2.960 1.00 0.00 N ATOM 875 CA TYR A 55 14.922 -10.528 2.518 1.00 0.00 C ATOM 876 C TYR A 55 15.812 -10.871 1.327 1.00 0.00 C ATOM 877 O TYR A 55 15.810 -10.171 0.313 1.00 0.00 O ATOM 878 CB TYR A 55 15.774 -9.980 3.664 1.00 0.00 C ATOM 879 CG TYR A 55 15.011 -9.078 4.608 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.524 -7.848 4.183 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.778 -9.455 5.925 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.827 -7.021 5.042 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.081 -8.635 6.790 1.00 0.00 C ATOM 884 CZ TYR A 55 13.607 -7.419 6.345 1.00 0.00 C ATOM 885 OH TYR A 55 12.914 -6.598 7.204 1.00 0.00 O ATOM 0 H TYR A 55 14.164 -11.837 3.970 1.00 0.00 H new ATOM 0 HA TYR A 55 14.209 -9.765 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.189 -10.815 4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.616 -9.427 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.693 -7.533 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.149 -10.406 6.278 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.456 -6.068 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.908 -8.944 7.810 1.00 0.00 H new ATOM 0 HH TYR A 55 12.846 -7.027 8.083 1.00 0.00 H new ATOM 895 N LEU A 56 16.571 -11.953 1.457 1.00 0.00 N ATOM 896 CA LEU A 56 17.466 -12.392 0.393 1.00 0.00 C ATOM 897 C LEU A 56 16.713 -12.542 -0.925 1.00 0.00 C ATOM 898 O LEU A 56 17.198 -12.133 -1.981 1.00 0.00 O ATOM 899 CB LEU A 56 18.127 -13.719 0.770 1.00 0.00 C ATOM 900 CG LEU A 56 19.205 -13.649 1.852 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.790 -15.028 2.113 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.300 -12.670 1.451 1.00 0.00 C ATOM 0 H LEU A 56 16.584 -12.543 2.289 1.00 0.00 H new ATOM 0 HA LEU A 56 18.237 -11.633 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.350 -14.407 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.570 -14.149 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 56 18.745 -13.292 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.555 -14.958 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.000 -15.702 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.235 -15.414 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.059 -12.633 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.757 -12.998 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.869 -11.678 1.316 1.00 0.00 H new ATOM 914 N THR A 57 15.523 -13.131 -0.857 1.00 0.00 N ATOM 915 CA THR A 57 14.702 -13.334 -2.044 1.00 0.00 C ATOM 916 C THR A 57 14.298 -12.003 -2.668 1.00 0.00 C ATOM 917 O THR A 57 14.677 -11.697 -3.799 1.00 0.00 O ATOM 918 CB THR A 57 13.431 -14.141 -1.716 1.00 0.00 C ATOM 919 OG1 THR A 57 13.779 -15.337 -1.009 1.00 0.00 O ATOM 920 CG2 THR A 57 12.674 -14.498 -2.987 1.00 0.00 C ATOM 0 H THR A 57 15.106 -13.476 0.008 1.00 0.00 H new ATOM 0 HA THR A 57 15.308 -13.896 -2.755 1.00 0.00 H new ATOM 0 HB THR A 57 12.787 -13.524 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.076 -15.107 -0.104 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.781 -15.067 -2.731 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.385 -13.585 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.313 -15.098 -3.635 1.00 0.00 H new ATOM 928 N ILE A 58 13.528 -11.216 -1.924 1.00 0.00 N ATOM 929 CA ILE A 58 13.076 -9.916 -2.405 1.00 0.00 C ATOM 930 C ILE A 58 14.037 -8.809 -1.985 1.00 0.00 C ATOM 931 O ILE A 58 14.088 -8.426 -0.816 1.00 0.00 O ATOM 932 CB ILE A 58 11.666 -9.583 -1.882 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.606 -10.320 -2.703 1.00 0.00 C ATOM 934 CG2 ILE A 58 11.427 -8.081 -1.924 1.00 0.00 C ATOM 935 CD1 ILE A 58 10.818 -11.816 -2.759 1.00 0.00 C ATOM 0 H ILE A 58 13.204 -11.455 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 58 13.047 -9.974 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 58 11.591 -9.915 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.623 -10.116 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.604 -9.923 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.427 -7.861 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 58 12.165 -7.578 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.518 -7.727 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.030 -12.273 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.787 -12.030 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.791 -12.225 -1.749 1.00 0.00 H new ATOM 947 N LYS A 59 14.796 -8.297 -2.947 1.00 0.00 N ATOM 948 CA LYS A 59 15.754 -7.231 -2.680 1.00 0.00 C ATOM 949 C LYS A 59 15.055 -6.001 -2.110 1.00 0.00 C ATOM 950 O LYS A 59 15.638 -5.248 -1.329 1.00 0.00 O ATOM 951 CB LYS A 59 16.504 -6.857 -3.961 1.00 0.00 C ATOM 952 CG LYS A 59 17.428 -7.951 -4.466 1.00 0.00 C ATOM 953 CD LYS A 59 18.624 -7.374 -5.205 1.00 0.00 C ATOM 954 CE LYS A 59 19.422 -8.460 -5.909 1.00 0.00 C ATOM 955 NZ LYS A 59 18.777 -8.885 -7.182 1.00 0.00 N ATOM 0 H LYS A 59 14.766 -8.603 -3.920 1.00 0.00 H new ATOM 0 HA LYS A 59 16.468 -7.596 -1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.780 -6.617 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.088 -5.955 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.774 -8.553 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.876 -8.617 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.282 -6.641 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.268 -6.846 -4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.428 -8.095 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.525 -9.321 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.351 -9.626 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.827 -9.257 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.702 -8.069 -7.822 1.00 0.00 H new ATOM 969 N LYS A 60 13.802 -5.802 -2.505 1.00 0.00 N ATOM 970 CA LYS A 60 13.021 -4.665 -2.032 1.00 0.00 C ATOM 971 C LYS A 60 11.939 -5.117 -1.056 1.00 0.00 C ATOM 972 O LYS A 60 10.821 -5.456 -1.445 1.00 0.00 O ATOM 973 CB LYS A 60 12.383 -3.932 -3.214 1.00 0.00 C ATOM 974 CG LYS A 60 13.357 -3.060 -3.987 1.00 0.00 C ATOM 975 CD LYS A 60 12.749 -2.560 -5.286 1.00 0.00 C ATOM 976 CE LYS A 60 13.532 -1.386 -5.853 1.00 0.00 C ATOM 977 NZ LYS A 60 13.384 -0.164 -5.015 1.00 0.00 N ATOM 0 H LYS A 60 13.305 -6.414 -3.152 1.00 0.00 H new ATOM 0 HA LYS A 60 13.694 -3.984 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.947 -4.665 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.565 -3.312 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.653 -2.210 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.262 -3.627 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.728 -3.370 -6.015 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.715 -2.260 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.587 -1.653 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.188 -1.176 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.646 0.674 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.396 -0.076 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.006 -0.235 -4.185 1.00 0.00 H new ATOM 991 N PRO A 61 12.276 -5.120 0.242 1.00 0.00 N ATOM 992 CA PRO A 61 11.346 -5.525 1.300 1.00 0.00 C ATOM 993 C PRO A 61 10.216 -4.520 1.495 1.00 0.00 C ATOM 994 O PRO A 61 10.309 -3.623 2.332 1.00 0.00 O ATOM 995 CB PRO A 61 12.232 -5.583 2.548 1.00 0.00 C ATOM 996 CG PRO A 61 13.354 -4.647 2.260 1.00 0.00 C ATOM 997 CD PRO A 61 13.591 -4.728 0.777 1.00 0.00 C ATOM 0 HA PRO A 61 10.850 -6.468 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.682 -5.279 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.596 -6.594 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.101 -3.630 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.249 -4.929 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.922 -3.772 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.359 -5.462 0.532 1.00 0.00 H new ATOM 1005 N MET A 62 9.150 -4.677 0.718 1.00 0.00 N ATOM 1006 CA MET A 62 8.001 -3.783 0.808 1.00 0.00 C ATOM 1007 C MET A 62 7.004 -4.282 1.849 1.00 0.00 C ATOM 1008 O MET A 62 6.390 -5.335 1.679 1.00 0.00 O ATOM 1009 CB MET A 62 7.316 -3.661 -0.555 1.00 0.00 C ATOM 1010 CG MET A 62 5.876 -3.180 -0.469 1.00 0.00 C ATOM 1011 SD MET A 62 5.746 -1.481 0.121 1.00 0.00 S ATOM 1012 CE MET A 62 6.464 -0.588 -1.256 1.00 0.00 C ATOM 0 H MET A 62 9.057 -5.414 0.019 1.00 0.00 H new ATOM 0 HA MET A 62 8.359 -2.801 1.116 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.885 -2.971 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.338 -4.631 -1.052 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.412 -3.256 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.317 -3.836 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.296 0.481 -1.124 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.535 -0.785 -1.298 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.998 -0.916 -2.185 1.00 0.00 H new ATOM 1022 N ASP A 63 6.849 -3.519 2.925 1.00 0.00 N ATOM 1023 CA ASP A 63 5.926 -3.884 3.994 1.00 0.00 C ATOM 1024 C ASP A 63 4.848 -2.818 4.167 1.00 0.00 C ATOM 1025 O ASP A 63 5.125 -1.622 4.089 1.00 0.00 O ATOM 1026 CB ASP A 63 6.684 -4.078 5.308 1.00 0.00 C ATOM 1027 CG ASP A 63 7.919 -3.203 5.398 1.00 0.00 C ATOM 1028 OD1 ASP A 63 8.908 -3.498 4.695 1.00 0.00 O ATOM 1029 OD2 ASP A 63 7.898 -2.224 6.174 1.00 0.00 O ATOM 0 H ASP A 63 7.350 -2.644 3.081 1.00 0.00 H new ATOM 0 HA ASP A 63 5.444 -4.823 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.021 -3.853 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.975 -5.124 5.405 1.00 0.00 H new ATOM 1034 N MET A 64 3.617 -3.262 4.402 1.00 0.00 N ATOM 1035 CA MET A 64 2.497 -2.346 4.586 1.00 0.00 C ATOM 1036 C MET A 64 2.841 -1.265 5.605 1.00 0.00 C ATOM 1037 O MET A 64 2.186 -0.226 5.665 1.00 0.00 O ATOM 1038 CB MET A 64 1.253 -3.113 5.039 1.00 0.00 C ATOM 1039 CG MET A 64 -0.046 -2.536 4.499 1.00 0.00 C ATOM 1040 SD MET A 64 -1.426 -2.749 5.639 1.00 0.00 S ATOM 1041 CE MET A 64 -2.666 -3.437 4.544 1.00 0.00 C ATOM 0 H MET A 64 3.370 -4.249 4.469 1.00 0.00 H new ATOM 0 HA MET A 64 2.291 -1.866 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.340 -4.152 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 64 1.215 -3.116 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.090 -1.474 4.294 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.286 -3.016 3.550 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.613 -3.525 5.076 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.794 -2.782 3.682 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.347 -4.423 4.206 1.00 0.00 H new ATOM 1051 N GLU A 65 3.873 -1.518 6.405 1.00 0.00 N ATOM 1052 CA GLU A 65 4.302 -0.565 7.422 1.00 0.00 C ATOM 1053 C GLU A 65 4.864 0.700 6.780 1.00 0.00 C ATOM 1054 O GLU A 65 4.290 1.781 6.905 1.00 0.00 O ATOM 1055 CB GLU A 65 5.355 -1.199 8.334 1.00 0.00 C ATOM 1056 CG GLU A 65 4.790 -2.248 9.277 1.00 0.00 C ATOM 1057 CD GLU A 65 5.769 -2.639 10.368 1.00 0.00 C ATOM 1058 OE1 GLU A 65 6.978 -2.737 10.071 1.00 0.00 O ATOM 1059 OE2 GLU A 65 5.326 -2.847 11.517 1.00 0.00 O ATOM 0 H GLU A 65 4.427 -2.374 6.368 1.00 0.00 H new ATOM 0 HA GLU A 65 3.431 -0.292 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.130 -1.656 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.835 -0.416 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.876 -1.867 9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.515 -3.135 8.706 1.00 0.00 H new ATOM 1066 N LYS A 66 5.992 0.556 6.092 1.00 0.00 N ATOM 1067 CA LYS A 66 6.634 1.685 5.429 1.00 0.00 C ATOM 1068 C LYS A 66 5.594 2.651 4.871 1.00 0.00 C ATOM 1069 O LYS A 66 5.810 3.862 4.843 1.00 0.00 O ATOM 1070 CB LYS A 66 7.544 1.191 4.303 1.00 0.00 C ATOM 1071 CG LYS A 66 6.811 0.933 2.997 1.00 0.00 C ATOM 1072 CD LYS A 66 7.769 0.893 1.818 1.00 0.00 C ATOM 1073 CE LYS A 66 8.210 2.290 1.411 1.00 0.00 C ATOM 1074 NZ LYS A 66 8.870 2.296 0.076 1.00 0.00 N ATOM 0 H LYS A 66 6.481 -0.332 5.979 1.00 0.00 H new ATOM 0 HA LYS A 66 7.236 2.214 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.328 1.929 4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.036 0.272 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.273 -0.013 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.067 1.713 2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.643 0.296 2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.287 0.402 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.345 2.953 1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.898 2.686 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.156 3.266 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.710 1.684 0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.205 1.942 -0.641 1.00 0.00 H new ATOM 1088 N ILE A 67 4.465 2.107 4.428 1.00 0.00 N ATOM 1089 CA ILE A 67 3.392 2.921 3.873 1.00 0.00 C ATOM 1090 C ILE A 67 2.724 3.763 4.955 1.00 0.00 C ATOM 1091 O ILE A 67 2.742 4.992 4.899 1.00 0.00 O ATOM 1092 CB ILE A 67 2.324 2.051 3.184 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.912 1.366 1.949 1.00 0.00 C ATOM 1094 CG2 ILE A 67 1.117 2.896 2.803 1.00 0.00 C ATOM 1095 CD1 ILE A 67 3.436 -0.027 2.222 1.00 0.00 C ATOM 0 H ILE A 67 4.270 1.106 4.443 1.00 0.00 H new ATOM 0 HA ILE A 67 3.847 3.579 3.132 1.00 0.00 H new ATOM 0 HB ILE A 67 1.998 1.281 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.147 1.312 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.722 1.979 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.371 2.267 2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.687 3.342 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.427 3.686 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.838 -0.451 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.224 0.021 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.624 -0.656 2.588 1.00 0.00 H new ATOM 1107 N ARG A 68 2.138 3.092 5.942 1.00 0.00 N ATOM 1108 CA ARG A 68 1.466 3.778 7.038 1.00 0.00 C ATOM 1109 C ARG A 68 2.336 4.904 7.590 1.00 0.00 C ATOM 1110 O ARG A 68 1.897 6.050 7.687 1.00 0.00 O ATOM 1111 CB ARG A 68 1.124 2.789 8.154 1.00 0.00 C ATOM 1112 CG ARG A 68 0.099 3.318 9.144 1.00 0.00 C ATOM 1113 CD ARG A 68 0.264 2.677 10.513 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.844 3.002 11.407 1.00 0.00 N ATOM 1115 CZ ARG A 68 -0.799 2.836 12.724 1.00 0.00 C ATOM 1116 NH1 ARG A 68 0.294 2.351 13.297 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -1.849 3.154 13.470 1.00 0.00 N ATOM 0 H ARG A 68 2.115 2.074 6.004 1.00 0.00 H new ATOM 0 HA ARG A 68 0.544 4.211 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.745 1.869 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.036 2.531 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.202 4.400 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.906 3.123 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.334 1.595 10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.200 3.012 10.960 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.700 3.377 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.103 2.105 12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.326 2.224 14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.692 3.526 13.032 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.814 3.026 14.481 1.00 0.00 H new ATOM 1131 N SER A 69 3.570 4.568 7.951 1.00 0.00 N ATOM 1132 CA SER A 69 4.500 5.549 8.498 1.00 0.00 C ATOM 1133 C SER A 69 4.602 6.768 7.586 1.00 0.00 C ATOM 1134 O SER A 69 4.530 7.908 8.044 1.00 0.00 O ATOM 1135 CB SER A 69 5.883 4.922 8.687 1.00 0.00 C ATOM 1136 OG SER A 69 6.856 5.911 8.974 1.00 0.00 O ATOM 0 H SER A 69 3.949 3.624 7.875 1.00 0.00 H new ATOM 0 HA SER A 69 4.120 5.873 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.848 4.195 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.166 4.380 7.785 1.00 0.00 H new ATOM 0 HG SER A 69 7.731 5.485 9.092 1.00 0.00 H new ATOM 1142 N HIS A 70 4.770 6.518 6.291 1.00 0.00 N ATOM 1143 CA HIS A 70 4.882 7.594 5.313 1.00 0.00 C ATOM 1144 C HIS A 70 3.618 8.447 5.297 1.00 0.00 C ATOM 1145 O HIS A 70 3.672 9.658 5.511 1.00 0.00 O ATOM 1146 CB HIS A 70 5.141 7.020 3.920 1.00 0.00 C ATOM 1147 CG HIS A 70 6.595 6.852 3.602 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.533 6.480 4.542 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.271 7.007 2.439 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.723 6.415 3.972 1.00 0.00 C ATOM 1151 NE2 HIS A 70 8.591 6.729 2.696 1.00 0.00 N ATOM 0 H HIS A 70 4.832 5.580 5.895 1.00 0.00 H new ATOM 0 HA HIS A 70 5.722 8.226 5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.645 6.053 3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.688 7.675 3.176 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.850 7.295 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.646 6.150 4.465 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.347 6.760 2.012 1.00 0.00 H new ATOM 1160 N MET A 71 2.481 7.808 5.043 1.00 0.00 N ATOM 1161 CA MET A 71 1.203 8.509 5.000 1.00 0.00 C ATOM 1162 C MET A 71 0.997 9.342 6.261 1.00 0.00 C ATOM 1163 O MET A 71 0.738 10.543 6.187 1.00 0.00 O ATOM 1164 CB MET A 71 0.054 7.511 4.841 1.00 0.00 C ATOM 1165 CG MET A 71 -1.319 8.124 5.065 1.00 0.00 C ATOM 1166 SD MET A 71 -2.631 6.888 5.114 1.00 0.00 S ATOM 1167 CE MET A 71 -2.231 6.029 6.633 1.00 0.00 C ATOM 0 H MET A 71 2.418 6.806 4.864 1.00 0.00 H new ATOM 0 HA MET A 71 1.214 9.179 4.141 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.092 7.082 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.196 6.691 5.545 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.315 8.682 6.001 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.528 8.839 4.269 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.020 4.982 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.355 6.488 7.091 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.075 6.093 7.320 1.00 0.00 H new ATOM 1177 N MET A 72 1.114 8.697 7.417 1.00 0.00 N ATOM 1178 CA MET A 72 0.942 9.380 8.693 1.00 0.00 C ATOM 1179 C MET A 72 1.812 10.630 8.763 1.00 0.00 C ATOM 1180 O MET A 72 1.411 11.647 9.329 1.00 0.00 O ATOM 1181 CB MET A 72 1.287 8.439 9.850 1.00 0.00 C ATOM 1182 CG MET A 72 0.216 7.397 10.125 1.00 0.00 C ATOM 1183 SD MET A 72 -1.350 8.128 10.640 1.00 0.00 S ATOM 1184 CE MET A 72 -2.408 7.661 9.272 1.00 0.00 C ATOM 0 H MET A 72 1.327 7.703 7.496 1.00 0.00 H new ATOM 0 HA MET A 72 -0.102 9.681 8.777 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.226 7.933 9.628 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.448 9.029 10.752 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.056 6.801 9.227 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.567 6.717 10.901 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.436 7.948 9.493 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.076 8.168 8.366 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.357 6.582 9.124 1.00 0.00 H new ATOM 1194 N ALA A 73 3.006 10.548 8.184 1.00 0.00 N ATOM 1195 CA ALA A 73 3.932 11.674 8.179 1.00 0.00 C ATOM 1196 C ALA A 73 3.622 12.635 7.036 1.00 0.00 C ATOM 1197 O ALA A 73 4.475 13.418 6.623 1.00 0.00 O ATOM 1198 CB ALA A 73 5.366 11.177 8.079 1.00 0.00 C ATOM 0 H ALA A 73 3.354 9.713 7.712 1.00 0.00 H new ATOM 0 HA ALA A 73 3.811 12.216 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.047 12.028 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.589 10.536 8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.491 10.610 7.157 1.00 0.00 H new ATOM 1204 N ASN A 74 2.395 12.568 6.530 1.00 0.00 N ATOM 1205 CA ASN A 74 1.973 13.432 5.433 1.00 0.00 C ATOM 1206 C ASN A 74 3.085 13.581 4.399 1.00 0.00 C ATOM 1207 O ASN A 74 3.248 14.641 3.795 1.00 0.00 O ATOM 1208 CB ASN A 74 1.569 14.808 5.966 1.00 0.00 C ATOM 1209 CG ASN A 74 2.662 15.447 6.801 1.00 0.00 C ATOM 1210 OD1 ASN A 74 3.751 15.734 6.304 1.00 0.00 O ATOM 1211 ND2 ASN A 74 2.375 15.674 8.078 1.00 0.00 N ATOM 0 H ASN A 74 1.676 11.925 6.862 1.00 0.00 H new ATOM 0 HA ASN A 74 1.112 12.970 4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.326 15.462 5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.665 14.711 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.071 16.102 8.689 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.459 15.420 8.448 1.00 0.00 H new ATOM 1218 N LYS A 75 3.846 12.511 4.199 1.00 0.00 N ATOM 1219 CA LYS A 75 4.942 12.520 3.237 1.00 0.00 C ATOM 1220 C LYS A 75 4.424 12.292 1.821 1.00 0.00 C ATOM 1221 O LYS A 75 4.888 12.924 0.871 1.00 0.00 O ATOM 1222 CB LYS A 75 5.970 11.444 3.595 1.00 0.00 C ATOM 1223 CG LYS A 75 6.950 11.873 4.673 1.00 0.00 C ATOM 1224 CD LYS A 75 7.523 10.676 5.414 1.00 0.00 C ATOM 1225 CE LYS A 75 8.589 9.970 4.592 1.00 0.00 C ATOM 1226 NZ LYS A 75 9.885 10.703 4.617 1.00 0.00 N ATOM 0 H LYS A 75 3.724 11.626 4.691 1.00 0.00 H new ATOM 0 HA LYS A 75 5.420 13.499 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.445 10.549 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.526 11.172 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.761 12.445 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.448 12.534 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.951 11.004 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.722 9.976 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.735 8.961 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.247 9.872 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.608 10.148 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.771 11.625 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.182 10.849 5.603 1.00 0.00 H new ATOM 1240 N TYR A 76 3.461 11.388 1.686 1.00 0.00 N ATOM 1241 CA TYR A 76 2.880 11.077 0.385 1.00 0.00 C ATOM 1242 C TYR A 76 2.102 12.270 -0.163 1.00 0.00 C ATOM 1243 O TYR A 76 1.238 12.824 0.514 1.00 0.00 O ATOM 1244 CB TYR A 76 1.961 9.859 0.491 1.00 0.00 C ATOM 1245 CG TYR A 76 2.694 8.572 0.790 1.00 0.00 C ATOM 1246 CD1 TYR A 76 3.800 8.188 0.040 1.00 0.00 C ATOM 1247 CD2 TYR A 76 2.282 7.737 1.822 1.00 0.00 C ATOM 1248 CE1 TYR A 76 4.473 7.012 0.310 1.00 0.00 C ATOM 1249 CE2 TYR A 76 2.949 6.560 2.099 1.00 0.00 C ATOM 1250 CZ TYR A 76 4.044 6.202 1.340 1.00 0.00 C ATOM 1251 OH TYR A 76 4.711 5.029 1.612 1.00 0.00 O ATOM 0 H TYR A 76 3.066 10.857 2.462 1.00 0.00 H new ATOM 0 HA TYR A 76 3.694 10.850 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.224 10.038 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.412 9.746 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.139 8.820 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.425 8.014 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.330 6.729 -0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.615 5.923 2.905 1.00 0.00 H new ATOM 0 HH TYR A 76 5.656 5.126 1.370 1.00 0.00 H new ATOM 1261 N GLN A 77 2.417 12.657 -1.395 1.00 0.00 N ATOM 1262 CA GLN A 77 1.748 13.783 -2.036 1.00 0.00 C ATOM 1263 C GLN A 77 0.403 13.359 -2.617 1.00 0.00 C ATOM 1264 O GLN A 77 -0.600 14.055 -2.458 1.00 0.00 O ATOM 1265 CB GLN A 77 2.632 14.369 -3.138 1.00 0.00 C ATOM 1266 CG GLN A 77 2.989 13.369 -4.226 1.00 0.00 C ATOM 1267 CD GLN A 77 3.932 13.947 -5.263 1.00 0.00 C ATOM 1268 OE1 GLN A 77 3.598 14.031 -6.445 1.00 0.00 O ATOM 1269 NE2 GLN A 77 5.120 14.349 -4.824 1.00 0.00 N ATOM 0 H GLN A 77 3.131 12.208 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 77 1.571 14.546 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.120 15.218 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.550 14.751 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.449 12.492 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.077 13.032 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.355 14.261 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.797 14.746 -5.476 1.00 0.00 H new ATOM 1278 N ASP A 78 0.390 12.214 -3.289 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.832 11.696 -3.894 1.00 0.00 C ATOM 1280 C ASP A 78 -1.084 10.255 -3.461 1.00 0.00 C ATOM 1281 O ASP A 78 -0.256 9.647 -2.781 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.745 11.776 -5.419 1.00 0.00 C ATOM 1283 CG ASP A 78 -1.131 13.143 -5.949 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -2.321 13.507 -5.843 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -0.242 13.849 -6.470 1.00 0.00 O ATOM 0 H ASP A 78 1.212 11.626 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.666 12.310 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.271 11.540 -5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.398 11.022 -5.858 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.231 9.715 -3.859 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.591 8.345 -3.513 1.00 0.00 C ATOM 1292 C ILE A 79 -1.734 7.341 -4.276 1.00 0.00 C ATOM 1293 O ILE A 79 -1.188 6.405 -3.693 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.076 8.063 -3.805 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -4.968 8.955 -2.939 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.393 6.595 -3.564 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -4.850 8.672 -1.458 1.00 0.00 C ATOM 0 H ILE A 79 -2.927 10.205 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.412 8.232 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.274 8.291 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.712 9.998 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.006 8.823 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.447 6.411 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.779 5.978 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.181 6.343 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.510 9.341 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.134 7.638 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.820 8.832 -1.138 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.619 7.544 -5.584 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.826 6.658 -6.429 1.00 0.00 C ATOM 1311 C ASP A 80 0.441 6.210 -5.707 1.00 0.00 C ATOM 1312 O ASP A 80 0.787 5.029 -5.716 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.460 7.359 -7.738 1.00 0.00 C ATOM 1314 CG ASP A 80 -0.088 8.814 -7.531 1.00 0.00 C ATOM 1315 OD1 ASP A 80 1.015 9.076 -7.007 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.899 9.691 -7.895 1.00 0.00 O ATOM 0 H ASP A 80 -2.065 8.314 -6.082 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.427 5.777 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.375 6.837 -8.206 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.302 7.297 -8.428 1.00 0.00 H new ATOM 1321 N SER A 81 1.129 7.161 -5.083 1.00 0.00 N ATOM 1322 CA SER A 81 2.360 6.864 -4.360 1.00 0.00 C ATOM 1323 C SER A 81 2.154 5.705 -3.389 1.00 0.00 C ATOM 1324 O SER A 81 2.990 4.807 -3.293 1.00 0.00 O ATOM 1325 CB SER A 81 2.840 8.102 -3.599 1.00 0.00 C ATOM 1326 OG SER A 81 4.245 8.073 -3.415 1.00 0.00 O ATOM 0 H SER A 81 0.855 8.143 -5.064 1.00 0.00 H new ATOM 0 HA SER A 81 3.119 6.575 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.560 9.001 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.344 8.152 -2.630 1.00 0.00 H new ATOM 0 HG SER A 81 4.448 7.938 -2.466 1.00 0.00 H new ATOM 1332 N MET A 82 1.035 5.733 -2.673 1.00 0.00 N ATOM 1333 CA MET A 82 0.719 4.684 -1.710 1.00 0.00 C ATOM 1334 C MET A 82 0.281 3.408 -2.421 1.00 0.00 C ATOM 1335 O MET A 82 0.554 2.301 -1.956 1.00 0.00 O ATOM 1336 CB MET A 82 -0.382 5.153 -0.756 1.00 0.00 C ATOM 1337 CG MET A 82 -0.338 4.474 0.603 1.00 0.00 C ATOM 1338 SD MET A 82 -1.558 5.141 1.752 1.00 0.00 S ATOM 1339 CE MET A 82 -3.056 4.373 1.139 1.00 0.00 C ATOM 0 H MET A 82 0.333 6.469 -2.741 1.00 0.00 H new ATOM 0 HA MET A 82 1.620 4.469 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.297 6.231 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.353 4.967 -1.215 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.510 3.405 0.477 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.658 4.588 1.030 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.859 4.512 1.863 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.338 4.832 0.191 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.883 3.307 0.989 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.399 3.569 -3.552 1.00 0.00 N ATOM 1350 CA VAL A 83 -0.874 2.429 -4.328 1.00 0.00 C ATOM 1351 C VAL A 83 0.291 1.647 -4.924 1.00 0.00 C ATOM 1352 O VAL A 83 0.478 0.468 -4.624 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.813 2.875 -5.464 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.397 1.667 -6.179 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -2.918 3.769 -4.921 1.00 0.00 C ATOM 0 H VAL A 83 -0.633 4.478 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.426 1.787 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.234 3.450 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.058 2.002 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.590 1.069 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.963 1.063 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.572 4.075 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.497 3.221 -4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.477 4.652 -4.459 1.00 0.00 H new ATOM 1365 N GLU A 84 1.072 2.312 -5.769 1.00 0.00 N ATOM 1366 CA GLU A 84 2.220 1.678 -6.408 1.00 0.00 C ATOM 1367 C GLU A 84 2.937 0.745 -5.437 1.00 0.00 C ATOM 1368 O GLU A 84 3.563 -0.233 -5.846 1.00 0.00 O ATOM 1369 CB GLU A 84 3.194 2.739 -6.926 1.00 0.00 C ATOM 1370 CG GLU A 84 3.774 3.619 -5.831 1.00 0.00 C ATOM 1371 CD GLU A 84 5.096 4.246 -6.227 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.214 4.699 -7.385 1.00 0.00 O ATOM 1373 OE2 GLU A 84 6.013 4.285 -5.380 1.00 0.00 O ATOM 0 H GLU A 84 0.931 3.289 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 84 1.855 1.088 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.010 2.245 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.680 3.368 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.061 4.407 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.914 3.025 -4.928 1.00 0.00 H new ATOM 1380 N ASP A 85 2.840 1.055 -4.148 1.00 0.00 N ATOM 1381 CA ASP A 85 3.478 0.244 -3.118 1.00 0.00 C ATOM 1382 C ASP A 85 2.655 -1.006 -2.822 1.00 0.00 C ATOM 1383 O ASP A 85 3.148 -2.128 -2.939 1.00 0.00 O ATOM 1384 CB ASP A 85 3.664 1.062 -1.838 1.00 0.00 C ATOM 1385 CG ASP A 85 4.386 2.371 -2.088 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.325 2.384 -2.912 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.011 3.384 -1.460 1.00 0.00 O ATOM 0 H ASP A 85 2.326 1.861 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 85 4.455 -0.066 -3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.689 1.267 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.225 0.473 -1.112 1.00 0.00 H new ATOM 1392 N PHE A 86 1.399 -0.804 -2.438 1.00 0.00 N ATOM 1393 CA PHE A 86 0.508 -1.915 -2.123 1.00 0.00 C ATOM 1394 C PHE A 86 0.569 -2.985 -3.209 1.00 0.00 C ATOM 1395 O PHE A 86 0.493 -4.180 -2.924 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.929 -1.414 -1.964 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.291 -1.072 -0.547 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -0.655 -0.033 0.113 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -2.268 -1.788 0.124 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -0.986 0.283 1.417 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.604 -1.476 1.428 1.00 0.00 C ATOM 1402 CZ PHE A 86 -1.962 -0.438 2.075 1.00 0.00 C ATOM 0 H PHE A 86 0.975 0.118 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 86 0.837 -2.358 -1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.069 -0.532 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.614 -2.178 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.108 0.536 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.774 -2.600 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.481 1.094 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.367 -2.043 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.223 -0.191 3.093 1.00 0.00 H new ATOM 1412 N VAL A 87 0.705 -2.546 -4.457 1.00 0.00 N ATOM 1413 CA VAL A 87 0.776 -3.465 -5.587 1.00 0.00 C ATOM 1414 C VAL A 87 2.039 -4.318 -5.523 1.00 0.00 C ATOM 1415 O VAL A 87 2.055 -5.456 -5.990 1.00 0.00 O ATOM 1416 CB VAL A 87 0.748 -2.709 -6.928 1.00 0.00 C ATOM 1417 CG1 VAL A 87 0.823 -3.684 -8.093 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.499 -1.843 -7.025 1.00 0.00 C ATOM 0 H VAL A 87 0.768 -1.560 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.099 -4.111 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 87 1.620 -2.057 -6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.802 -3.131 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.749 -4.256 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.028 -4.364 -8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.503 -1.316 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.386 -2.473 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.503 -1.119 -6.210 1.00 0.00 H new ATOM 1428 N MET A 88 3.095 -3.759 -4.941 1.00 0.00 N ATOM 1429 CA MET A 88 4.362 -4.470 -4.814 1.00 0.00 C ATOM 1430 C MET A 88 4.283 -5.530 -3.720 1.00 0.00 C ATOM 1431 O MET A 88 4.771 -6.647 -3.890 1.00 0.00 O ATOM 1432 CB MET A 88 5.494 -3.487 -4.508 1.00 0.00 C ATOM 1433 CG MET A 88 6.843 -3.926 -5.052 1.00 0.00 C ATOM 1434 SD MET A 88 7.921 -2.534 -5.442 1.00 0.00 S ATOM 1435 CE MET A 88 8.131 -1.803 -3.821 1.00 0.00 C ATOM 0 H MET A 88 3.099 -2.817 -4.550 1.00 0.00 H new ATOM 0 HA MET A 88 4.568 -4.967 -5.762 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.242 -2.513 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.571 -3.359 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 88 7.334 -4.567 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 88 6.691 -4.525 -5.950 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.713 -0.796 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.615 -2.411 -3.078 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.193 -1.756 -3.578 1.00 0.00 H new ATOM 1445 N MET A 89 3.668 -5.172 -2.598 1.00 0.00 N ATOM 1446 CA MET A 89 3.526 -6.094 -1.477 1.00 0.00 C ATOM 1447 C MET A 89 2.597 -7.249 -1.838 1.00 0.00 C ATOM 1448 O MET A 89 2.720 -8.349 -1.298 1.00 0.00 O ATOM 1449 CB MET A 89 2.989 -5.358 -0.248 1.00 0.00 C ATOM 1450 CG MET A 89 1.486 -5.130 -0.284 1.00 0.00 C ATOM 1451 SD MET A 89 0.784 -4.868 1.355 1.00 0.00 S ATOM 1452 CE MET A 89 -0.809 -4.168 0.933 1.00 0.00 C ATOM 0 H MET A 89 3.260 -4.250 -2.441 1.00 0.00 H new ATOM 0 HA MET A 89 4.511 -6.501 -1.246 1.00 0.00 H new ATOM 0 HB2 MET A 89 3.240 -5.929 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.492 -4.395 -0.163 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.269 -4.265 -0.911 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.003 -5.990 -0.749 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.931 -3.211 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.867 -4.018 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.600 -4.849 1.247 1.00 0.00 H new ATOM 1462 N PHE A 90 1.668 -6.993 -2.753 1.00 0.00 N ATOM 1463 CA PHE A 90 0.718 -8.011 -3.184 1.00 0.00 C ATOM 1464 C PHE A 90 1.364 -8.970 -4.180 1.00 0.00 C ATOM 1465 O PHE A 90 1.009 -10.146 -4.245 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.513 -7.356 -3.815 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.433 -6.721 -2.812 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.905 -7.446 -1.729 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.827 -5.400 -2.953 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.753 -6.864 -0.805 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.675 -4.813 -2.032 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.137 -5.546 -0.957 1.00 0.00 C ATOM 0 H PHE A 90 1.553 -6.089 -3.210 1.00 0.00 H new ATOM 0 HA PHE A 90 0.409 -8.579 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.187 -6.599 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.066 -8.107 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.607 -8.477 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.468 -4.822 -3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.115 -7.439 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.975 -3.783 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.798 -5.089 -0.236 1.00 0.00 H new ATOM 1482 N ASN A 91 2.315 -8.458 -4.955 1.00 0.00 N ATOM 1483 CA ASN A 91 3.010 -9.268 -5.948 1.00 0.00 C ATOM 1484 C ASN A 91 3.981 -10.235 -5.279 1.00 0.00 C ATOM 1485 O ASN A 91 4.086 -11.397 -5.671 1.00 0.00 O ATOM 1486 CB ASN A 91 3.764 -8.370 -6.932 1.00 0.00 C ATOM 1487 CG ASN A 91 2.904 -7.953 -8.109 1.00 0.00 C ATOM 1488 OD1 ASN A 91 2.082 -8.728 -8.598 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.090 -6.722 -8.571 1.00 0.00 N ATOM 0 H ASN A 91 2.622 -7.486 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 91 2.265 -9.848 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.117 -7.481 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.646 -8.896 -7.298 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.540 -6.386 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.782 -6.113 -8.135 1.00 0.00 H new ATOM 1496 N ASN A 92 4.689 -9.748 -4.265 1.00 0.00 N ATOM 1497 CA ASN A 92 5.652 -10.569 -3.541 1.00 0.00 C ATOM 1498 C ASN A 92 5.063 -11.938 -3.213 1.00 0.00 C ATOM 1499 O ASN A 92 5.793 -12.901 -2.986 1.00 0.00 O ATOM 1500 CB ASN A 92 6.085 -9.867 -2.252 1.00 0.00 C ATOM 1501 CG ASN A 92 7.346 -10.469 -1.661 1.00 0.00 C ATOM 1502 OD1 ASN A 92 8.001 -9.721 -0.780 1.00 0.00 O flip ATOM 1503 ND2 ASN A 92 7.725 -11.592 -1.992 1.00 0.00 N flip ATOM 0 H ASN A 92 4.614 -8.789 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 92 6.523 -10.711 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.252 -8.809 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.279 -9.927 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.190 -12.131 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.574 -11.984 -1.586 1.00 0.00 H new ATOM 1510 N ALA A 93 3.736 -12.015 -3.193 1.00 0.00 N ATOM 1511 CA ALA A 93 3.048 -13.265 -2.897 1.00 0.00 C ATOM 1512 C ALA A 93 3.187 -14.254 -4.049 1.00 0.00 C ATOM 1513 O ALA A 93 3.617 -15.392 -3.854 1.00 0.00 O ATOM 1514 CB ALA A 93 1.579 -13.002 -2.599 1.00 0.00 C ATOM 0 H ALA A 93 3.117 -11.226 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 93 3.513 -13.706 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.078 -13.945 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.495 -12.338 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.110 -12.535 -3.465 1.00 0.00 H new ATOM 1520 N CYS A 94 2.820 -13.815 -5.247 1.00 0.00 N ATOM 1521 CA CYS A 94 2.902 -14.663 -6.431 1.00 0.00 C ATOM 1522 C CYS A 94 4.356 -14.913 -6.821 1.00 0.00 C ATOM 1523 O CYS A 94 4.669 -15.891 -7.501 1.00 0.00 O ATOM 1524 CB CYS A 94 2.152 -14.020 -7.598 1.00 0.00 C ATOM 1525 SG CYS A 94 2.795 -12.402 -8.088 1.00 0.00 S ATOM 0 H CYS A 94 2.463 -12.876 -5.425 1.00 0.00 H new ATOM 0 HA CYS A 94 2.438 -15.621 -6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.194 -14.691 -8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.102 -13.915 -7.327 1.00 0.00 H new ATOM 0 HG CYS A 94 3.523 -11.915 -7.127 1.00 0.00 H new ATOM 1531 N THR A 95 5.241 -14.021 -6.388 1.00 0.00 N ATOM 1532 CA THR A 95 6.661 -14.142 -6.693 1.00 0.00 C ATOM 1533 C THR A 95 7.319 -15.215 -5.833 1.00 0.00 C ATOM 1534 O THR A 95 7.920 -16.157 -6.350 1.00 0.00 O ATOM 1535 CB THR A 95 7.398 -12.806 -6.480 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.809 -11.787 -7.295 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.874 -12.943 -6.819 1.00 0.00 C ATOM 0 H THR A 95 4.999 -13.206 -5.824 1.00 0.00 H new ATOM 0 HA THR A 95 6.735 -14.426 -7.743 1.00 0.00 H new ATOM 0 HB THR A 95 7.307 -12.529 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.934 -11.540 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.374 -11.987 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.326 -13.699 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.982 -13.241 -7.862 1.00 0.00 H new ATOM 1545 N TYR A 96 7.200 -15.067 -4.518 1.00 0.00 N ATOM 1546 CA TYR A 96 7.785 -16.023 -3.586 1.00 0.00 C ATOM 1547 C TYR A 96 6.908 -17.264 -3.456 1.00 0.00 C ATOM 1548 O TYR A 96 7.395 -18.392 -3.516 1.00 0.00 O ATOM 1549 CB TYR A 96 7.979 -15.376 -2.214 1.00 0.00 C ATOM 1550 CG TYR A 96 8.835 -16.194 -1.274 1.00 0.00 C ATOM 1551 CD1 TYR A 96 8.426 -17.452 -0.847 1.00 0.00 C ATOM 1552 CD2 TYR A 96 10.053 -15.709 -0.811 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.205 -18.203 0.012 1.00 0.00 C ATOM 1554 CE2 TYR A 96 10.839 -16.454 0.047 1.00 0.00 C ATOM 1555 CZ TYR A 96 10.411 -17.700 0.456 1.00 0.00 C ATOM 1556 OH TYR A 96 11.190 -18.444 1.312 1.00 0.00 O ATOM 0 H TYR A 96 6.704 -14.294 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 96 8.756 -16.326 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.435 -14.395 -2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.003 -15.215 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.483 -17.849 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.391 -14.733 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.872 -19.178 0.334 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.783 -16.063 0.396 1.00 0.00 H new ATOM 0 HH TYR A 96 12.006 -17.946 1.527 1.00 0.00 H new ATOM 1566 N ASN A 97 5.609 -17.046 -3.278 1.00 0.00 N ATOM 1567 CA ASN A 97 4.661 -18.146 -3.140 1.00 0.00 C ATOM 1568 C ASN A 97 4.082 -18.539 -4.496 1.00 0.00 C ATOM 1569 O ASN A 97 4.028 -17.726 -5.417 1.00 0.00 O ATOM 1570 CB ASN A 97 3.532 -17.756 -2.184 1.00 0.00 C ATOM 1571 CG ASN A 97 4.010 -16.859 -1.059 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.322 -15.741 -0.861 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 4.986 -17.169 -0.376 1.00 0.00 N flip ATOM 0 H ASN A 97 5.189 -16.118 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 97 5.195 -19.004 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.747 -17.246 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.089 -18.658 -1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.485 -18.039 -0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.296 -16.556 0.378 1.00 0.00 H new ATOM 1580 N GLU A 98 3.650 -19.791 -4.608 1.00 0.00 N ATOM 1581 CA GLU A 98 3.075 -20.292 -5.851 1.00 0.00 C ATOM 1582 C GLU A 98 1.676 -19.723 -6.072 1.00 0.00 C ATOM 1583 O GLU A 98 0.959 -19.387 -5.129 1.00 0.00 O ATOM 1584 CB GLU A 98 3.018 -21.821 -5.833 1.00 0.00 C ATOM 1585 CG GLU A 98 4.384 -22.479 -5.737 1.00 0.00 C ATOM 1586 CD GLU A 98 5.220 -22.275 -6.986 1.00 0.00 C ATOM 1587 OE1 GLU A 98 4.919 -22.921 -8.012 1.00 0.00 O ATOM 1588 OE2 GLU A 98 6.174 -21.471 -6.937 1.00 0.00 O ATOM 0 H GLU A 98 3.687 -20.477 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 98 3.714 -19.969 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.408 -22.144 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.519 -22.168 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.918 -22.075 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.257 -23.547 -5.560 1.00 0.00 H new ATOM 1595 N PRO A 99 1.278 -19.610 -7.347 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.036 -19.081 -7.723 1.00 0.00 C ATOM 1597 C PRO A 99 -1.170 -20.030 -7.350 1.00 0.00 C ATOM 1598 O PRO A 99 -2.335 -19.764 -7.644 1.00 0.00 O ATOM 1599 CB PRO A 99 0.061 -18.936 -9.244 1.00 0.00 C ATOM 1600 CG PRO A 99 1.093 -19.928 -9.654 1.00 0.00 C ATOM 1601 CD PRO A 99 2.081 -19.990 -8.522 1.00 0.00 C ATOM 0 HA PRO A 99 -0.263 -18.148 -7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.897 -19.140 -9.723 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.350 -17.924 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.645 -20.905 -9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 99 1.580 -19.624 -10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.505 -20.988 -8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.914 -19.305 -8.678 1.00 0.00 H new ATOM 1609 N GLU A 100 -0.821 -21.138 -6.703 1.00 0.00 N ATOM 1610 CA GLU A 100 -1.811 -22.126 -6.291 1.00 0.00 C ATOM 1611 C GLU A 100 -2.405 -21.767 -4.932 1.00 0.00 C ATOM 1612 O GLU A 100 -3.608 -21.911 -4.710 1.00 0.00 O ATOM 1613 CB GLU A 100 -1.181 -23.519 -6.232 1.00 0.00 C ATOM 1614 CG GLU A 100 -0.592 -23.976 -7.556 1.00 0.00 C ATOM 1615 CD GLU A 100 -1.655 -24.359 -8.567 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -2.760 -24.759 -8.142 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -1.384 -24.260 -9.781 1.00 0.00 O ATOM 0 H GLU A 100 0.139 -21.374 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.612 -22.129 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.397 -23.522 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.936 -24.237 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.026 -23.179 -7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.063 -24.830 -7.382 1.00 0.00 H new ATOM 1624 N SER A 101 -1.553 -21.299 -4.025 1.00 0.00 N ATOM 1625 CA SER A 101 -1.992 -20.924 -2.686 1.00 0.00 C ATOM 1626 C SER A 101 -3.242 -20.051 -2.749 1.00 0.00 C ATOM 1627 O SER A 101 -3.640 -19.592 -3.820 1.00 0.00 O ATOM 1628 CB SER A 101 -0.875 -20.182 -1.949 1.00 0.00 C ATOM 1629 OG SER A 101 -1.105 -20.172 -0.551 1.00 0.00 O ATOM 0 H SER A 101 -0.555 -21.171 -4.193 1.00 0.00 H new ATOM 0 HA SER A 101 -2.234 -21.836 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.083 -20.658 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.810 -19.158 -2.317 1.00 0.00 H new ATOM 0 HG SER A 101 -0.376 -19.694 -0.103 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.857 -19.826 -1.593 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.062 -19.008 -1.514 1.00 0.00 C ATOM 1637 C LEU A 102 -4.712 -17.524 -1.484 1.00 0.00 C ATOM 1638 O LEU A 102 -5.314 -16.720 -2.197 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.873 -19.378 -0.271 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.724 -20.644 -0.376 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -5.856 -21.884 -0.237 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -7.822 -20.638 0.677 1.00 0.00 C ATOM 0 H LEU A 102 -3.541 -20.199 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.662 -19.203 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.184 -19.496 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.529 -18.542 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.193 -20.663 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.479 -22.775 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.107 -21.895 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.358 -21.873 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.417 -21.547 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.374 -20.595 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.463 -19.768 0.530 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.735 -17.168 -0.657 1.00 0.00 N ATOM 1655 CA ILE A 103 -3.303 -15.782 -0.537 1.00 0.00 C ATOM 1656 C ILE A 103 -3.166 -15.128 -1.908 1.00 0.00 C ATOM 1657 O ILE A 103 -3.279 -13.909 -2.040 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.959 -15.673 0.207 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.657 -14.213 0.550 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.838 -16.268 -0.634 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -1.164 -13.404 -0.630 1.00 0.00 C ATOM 0 H ILE A 103 -3.228 -17.821 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.070 -15.262 0.037 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.029 -16.238 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.559 -13.748 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.907 -14.182 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.106 -16.184 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.050 -17.319 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.766 -15.728 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.970 -12.379 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.244 -13.845 -1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.922 -13.404 -1.413 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.924 -15.947 -2.926 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.772 -15.448 -4.288 1.00 0.00 C ATOM 1675 C TYR A 104 -4.073 -14.830 -4.791 1.00 0.00 C ATOM 1676 O TYR A 104 -4.076 -13.743 -5.368 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.337 -16.579 -5.221 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.385 -16.207 -6.686 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.317 -15.556 -7.292 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.497 -16.506 -7.464 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.356 -15.213 -8.630 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.544 -16.169 -8.803 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.471 -15.522 -9.381 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.515 -15.183 -10.714 1.00 0.00 O ATOM 0 H TYR A 104 -2.829 -16.958 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.004 -14.675 -4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.321 -16.880 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.978 -17.444 -5.053 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.442 -15.314 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.339 -17.011 -7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.518 -14.706 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.415 -16.410 -9.394 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.369 -15.473 -11.097 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.179 -15.532 -4.567 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.489 -15.054 -4.994 1.00 0.00 C ATOM 1696 C LYS A 105 -6.821 -13.718 -4.337 1.00 0.00 C ATOM 1697 O LYS A 105 -7.192 -12.759 -5.013 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.567 -16.085 -4.652 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.787 -17.118 -5.743 1.00 0.00 C ATOM 1700 CD LYS A 105 -6.820 -18.283 -5.613 1.00 0.00 C ATOM 1701 CE LYS A 105 -7.222 -19.445 -6.508 1.00 0.00 C ATOM 1702 NZ LYS A 105 -6.491 -20.694 -6.157 1.00 0.00 N ATOM 0 H LYS A 105 -5.194 -16.434 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.462 -14.911 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.290 -16.596 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.506 -15.566 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.811 -17.487 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.664 -16.649 -6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.814 -17.953 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.788 -18.616 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.295 -19.616 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.023 -19.188 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.793 -21.462 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.468 -20.539 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.701 -20.954 -5.172 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.685 -13.663 -3.017 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.969 -12.444 -2.269 1.00 0.00 C ATOM 1718 C ASP A 106 -6.193 -11.262 -2.842 1.00 0.00 C ATOM 1719 O ASP A 106 -6.737 -10.170 -3.003 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.617 -12.633 -0.792 1.00 0.00 C ATOM 1721 CG ASP A 106 -5.196 -12.209 -0.477 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -4.891 -11.006 -0.616 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -4.390 -13.080 -0.090 1.00 0.00 O ATOM 0 H ASP A 106 -6.380 -14.449 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.035 -12.233 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.310 -12.056 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.749 -13.681 -0.521 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.920 -11.488 -3.147 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.070 -10.443 -3.703 1.00 0.00 C ATOM 1730 C ALA A 107 -4.833 -9.596 -4.716 1.00 0.00 C ATOM 1731 O ALA A 107 -4.754 -8.367 -4.698 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.834 -11.054 -4.348 1.00 0.00 C ATOM 0 H ALA A 107 -4.454 -12.386 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.756 -9.792 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.209 -10.261 -4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.270 -11.610 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.137 -11.729 -5.149 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.571 -10.260 -5.599 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.349 -9.567 -6.620 1.00 0.00 C ATOM 1740 C LEU A 108 -7.591 -8.922 -6.015 1.00 0.00 C ATOM 1741 O LEU A 108 -7.959 -7.803 -6.373 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.754 -10.542 -7.728 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.630 -11.396 -8.315 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -6.190 -12.680 -8.908 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.859 -10.612 -9.367 1.00 0.00 C ATOM 0 H LEU A 108 -5.647 -11.277 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.726 -8.780 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.522 -11.208 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.210 -9.972 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.942 -11.661 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.376 -13.275 -9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.697 -13.250 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.899 -12.436 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.063 -11.235 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.535 -10.317 -10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.426 -9.721 -8.912 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.233 -9.635 -5.094 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.432 -9.130 -4.436 1.00 0.00 C ATOM 1759 C VAL A 109 -9.170 -7.783 -3.773 1.00 0.00 C ATOM 1760 O VAL A 109 -9.939 -6.836 -3.940 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.949 -10.121 -3.376 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.186 -9.566 -2.685 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.242 -11.473 -4.008 1.00 0.00 C ATOM 0 H VAL A 109 -7.943 -10.563 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.190 -9.008 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.173 -10.259 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.537 -10.279 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.938 -8.624 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.970 -9.397 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.606 -12.160 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.000 -11.356 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.330 -11.873 -4.451 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.079 -7.704 -3.019 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.713 -6.471 -2.330 1.00 0.00 C ATOM 1775 C LEU A 110 -7.383 -5.366 -3.328 1.00 0.00 C ATOM 1776 O LEU A 110 -7.949 -4.274 -3.272 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.518 -6.715 -1.407 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.816 -7.459 -0.105 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.529 -7.975 0.521 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.560 -6.556 0.867 1.00 0.00 C ATOM 0 H LEU A 110 -7.433 -8.479 -2.869 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.566 -6.151 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.766 -7.278 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.074 -5.751 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.452 -8.314 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.760 -8.502 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.036 -8.657 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.867 -7.136 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.764 -7.102 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.949 -5.681 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.501 -6.236 0.419 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.463 -5.658 -4.243 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.059 -4.690 -5.256 1.00 0.00 C ATOM 1794 C HIS A 111 -7.239 -3.820 -5.678 1.00 0.00 C ATOM 1795 O HIS A 111 -7.251 -2.612 -5.440 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.478 -5.408 -6.475 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.762 -4.495 -7.422 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.769 -4.927 -8.276 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.900 -3.168 -7.649 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.326 -3.904 -8.986 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.997 -2.825 -8.624 1.00 0.00 N ATOM 0 H HIS A 111 -5.984 -6.557 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.293 -4.047 -4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.788 -6.181 -6.137 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.284 -5.912 -7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.592 -2.502 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.548 -3.943 -9.734 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.865 -1.889 -9.007 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.231 -4.442 -6.307 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.417 -3.726 -6.763 1.00 0.00 C ATOM 1812 C LYS A 112 -9.955 -2.811 -5.667 1.00 0.00 C ATOM 1813 O LYS A 112 -10.151 -1.615 -5.883 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.501 -4.716 -7.193 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.801 -4.051 -7.613 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.918 -5.066 -7.784 1.00 0.00 C ATOM 1817 CE LYS A 112 -13.922 -4.619 -8.835 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.468 -4.953 -10.214 1.00 0.00 N ATOM 0 H LYS A 112 -8.237 -5.441 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.134 -3.112 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.125 -5.316 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.703 -5.401 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.091 -3.313 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.650 -3.514 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.495 -6.029 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.427 -5.212 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.884 -5.095 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -14.077 -3.543 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.180 -4.632 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.563 -4.478 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.344 -5.982 -10.299 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.190 -3.381 -4.489 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.702 -2.617 -3.359 1.00 0.00 C ATOM 1834 C VAL A 113 -9.859 -1.371 -3.110 1.00 0.00 C ATOM 1835 O VAL A 113 -10.390 -0.294 -2.835 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.734 -3.466 -2.074 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.286 -2.656 -0.911 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.552 -4.730 -2.292 1.00 0.00 C ATOM 0 H VAL A 113 -10.034 -4.370 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.719 -2.320 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.714 -3.759 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.301 -3.273 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.654 -1.784 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.300 -2.330 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.564 -5.318 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.573 -4.461 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.106 -5.318 -3.094 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.544 -1.524 -3.210 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.625 -0.411 -2.997 1.00 0.00 C ATOM 1850 C LEU A 114 -7.842 0.681 -4.040 1.00 0.00 C ATOM 1851 O LEU A 114 -7.431 1.827 -3.850 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.177 -0.901 -3.049 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.101 0.184 -3.060 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -4.966 0.816 -1.683 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.768 -0.390 -3.518 1.00 0.00 C ATOM 0 H LEU A 114 -8.089 -2.408 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.824 0.009 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.003 -1.549 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.054 -1.515 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.401 0.959 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.195 1.586 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.917 1.264 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.689 0.051 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.014 0.397 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.461 -1.185 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.873 -0.794 -4.525 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.492 0.320 -5.141 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.766 1.269 -6.214 1.00 0.00 C ATOM 1869 C LEU A 115 -10.135 1.917 -6.032 1.00 0.00 C ATOM 1870 O LEU A 115 -10.242 3.134 -5.891 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.697 0.568 -7.572 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.379 -0.135 -7.899 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.565 -1.107 -9.054 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.297 0.884 -8.225 1.00 0.00 C ATOM 0 H LEU A 115 -8.839 -0.623 -5.314 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.007 2.050 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.500 -0.168 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.895 1.306 -8.350 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.064 -0.701 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.617 -1.598 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.308 -1.857 -8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.904 -0.564 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.366 0.365 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.604 1.478 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.145 1.540 -7.368 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.178 1.093 -6.033 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.540 1.586 -5.867 1.00 0.00 C ATOM 1888 C GLU A 116 -12.632 2.540 -4.679 1.00 0.00 C ATOM 1889 O GLU A 116 -13.521 3.390 -4.617 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.509 0.418 -5.672 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.007 -0.634 -4.698 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.077 -1.641 -4.325 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.238 -1.227 -4.126 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.753 -2.844 -4.230 1.00 0.00 O ATOM 0 H GLU A 116 -11.106 0.082 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.815 2.130 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -14.464 0.805 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.696 -0.053 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.159 -1.157 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.644 -0.144 -3.795 1.00 0.00 H new ATOM 1901 N THR A 117 -11.706 2.393 -3.737 1.00 0.00 N ATOM 1902 CA THR A 117 -11.682 3.239 -2.550 1.00 0.00 C ATOM 1903 C THR A 117 -11.095 4.611 -2.864 1.00 0.00 C ATOM 1904 O THR A 117 -11.537 5.624 -2.323 1.00 0.00 O ATOM 1905 CB THR A 117 -10.866 2.592 -1.415 1.00 0.00 C ATOM 1906 OG1 THR A 117 -10.909 3.420 -0.248 1.00 0.00 O ATOM 1907 CG2 THR A 117 -9.420 2.381 -1.840 1.00 0.00 C ATOM 0 H THR A 117 -10.962 1.696 -3.773 1.00 0.00 H new ATOM 0 HA THR A 117 -12.716 3.355 -2.224 1.00 0.00 H new ATOM 0 HB THR A 117 -11.307 1.621 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.675 3.164 0.307 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.864 1.923 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.389 1.727 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 117 -8.971 3.342 -2.091 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.097 4.635 -3.742 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.450 5.883 -4.128 1.00 0.00 C ATOM 1917 C ARG A 118 -10.469 7.013 -4.238 1.00 0.00 C ATOM 1918 O ARG A 118 -10.223 8.131 -3.784 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.717 5.712 -5.460 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.412 4.942 -5.342 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.406 5.386 -6.393 1.00 0.00 C ATOM 1922 NE ARG A 118 -6.692 4.807 -7.703 1.00 0.00 N ATOM 1923 CZ ARG A 118 -6.183 5.272 -8.839 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.367 6.318 -8.824 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.490 4.692 -9.992 1.00 0.00 N ATOM 0 H ARG A 118 -9.719 3.805 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 118 -8.728 6.142 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.372 5.195 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.512 6.696 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.990 5.089 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.607 3.875 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.415 6.473 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.403 5.097 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.316 4.002 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.129 6.767 -7.939 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.977 6.673 -9.697 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.118 3.888 -10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.099 5.050 -10.863 1.00 0.00 H new