USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=27 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 74 ASN : amide:sc= 0 X(o=-0.11,f=-0.11) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.114 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.448 K(o=-1.1,f=-9!) USER MOD Set 2.2: A 71 MET CE :methyl 136:sc= -0.606 (180deg=-0.328) USER MOD Set 2.3: A 72 MET CE :methyl -147:sc= -0.0367 (180deg=-0.224) USER MOD Set 3.1: A 24 TYR OH : rot 176:sc= 0.462 USER MOD Set 3.2: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 62 MET CE :methyl 163:sc= -0.1 (180deg=-0.541) USER MOD Set 4.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 159:sc= -2.08 (180deg=-4.06!) 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=-0.03) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc=-0.00553 (180deg=-0.169) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -126:sc= -0.736 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 130:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 67:sc= 0.396 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.584) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -1.65! K(o=-1.7!,f=-0.7) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.498) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 81 SER OG : rot 63:sc= 0.372 USER MOD Single : A 82 MET CE :methyl -144:sc= -1.36 (180deg=-1.78) USER MOD Single : A 89 MET CE :methyl -161:sc= -0.301 (180deg=-0.816) USER MOD Single : A 91 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.7!) USER MOD Single : A 92 ASN : amide:sc= -0.943 K(o=-0.94,f=-3) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -86:sc= -0.222 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 97 ASN : amide:sc= -4.69! C(o=-4.7!,f=-7.3!) 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= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N PRO A 15 -7.647 18.081 1.341 1.00 0.00 N ATOM 196 CA PRO A 15 -8.606 16.973 1.332 1.00 0.00 C ATOM 197 C PRO A 15 -7.978 15.666 0.858 1.00 0.00 C ATOM 198 O PRO A 15 -8.608 14.611 0.905 1.00 0.00 O ATOM 199 CB PRO A 15 -9.678 17.439 0.345 1.00 0.00 C ATOM 200 CG PRO A 15 -8.975 18.397 -0.554 1.00 0.00 C ATOM 201 CD PRO A 15 -7.937 19.077 0.296 1.00 0.00 C ATOM 0 HA PRO A 15 -8.990 16.759 2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.091 16.601 -0.216 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.510 17.918 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.513 17.877 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.672 19.122 -0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.046 19.326 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.312 20.008 0.721 1.00 0.00 H new ATOM 209 N MET A 16 -6.732 15.746 0.401 1.00 0.00 N ATOM 210 CA MET A 16 -6.019 14.569 -0.080 1.00 0.00 C ATOM 211 C MET A 16 -5.430 13.776 1.083 1.00 0.00 C ATOM 212 O MET A 16 -5.597 12.560 1.164 1.00 0.00 O ATOM 213 CB MET A 16 -4.907 14.980 -1.047 1.00 0.00 C ATOM 214 CG MET A 16 -5.399 15.250 -2.460 1.00 0.00 C ATOM 215 SD MET A 16 -4.092 15.097 -3.692 1.00 0.00 S ATOM 216 CE MET A 16 -3.687 13.358 -3.542 1.00 0.00 C ATOM 0 H MET A 16 -6.196 16.613 0.354 1.00 0.00 H new ATOM 0 HA MET A 16 -6.732 13.933 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.417 15.875 -0.665 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.154 14.193 -1.078 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.202 14.554 -2.700 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.822 16.253 -2.508 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.190 13.021 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.024 13.211 -2.690 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.601 12.783 -3.394 1.00 0.00 H new ATOM 226 N GLN A 17 -4.741 14.474 1.979 1.00 0.00 N ATOM 227 CA GLN A 17 -4.127 13.834 3.137 1.00 0.00 C ATOM 228 C GLN A 17 -5.111 12.896 3.826 1.00 0.00 C ATOM 229 O GLN A 17 -4.753 11.786 4.219 1.00 0.00 O ATOM 230 CB GLN A 17 -3.632 14.890 4.127 1.00 0.00 C ATOM 231 CG GLN A 17 -2.967 14.302 5.361 1.00 0.00 C ATOM 232 CD GLN A 17 -3.111 15.191 6.581 1.00 0.00 C ATOM 233 OE1 GLN A 17 -3.790 14.837 7.545 1.00 0.00 O ATOM 234 NE2 GLN A 17 -2.471 16.354 6.545 1.00 0.00 N ATOM 0 H GLN A 17 -4.594 15.482 1.926 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.278 13.247 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.924 15.547 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.474 15.508 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.403 13.326 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.909 14.141 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.919 16.607 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.531 16.994 7.337 1.00 0.00 H new ATOM 243 N GLN A 18 -6.352 13.350 3.969 1.00 0.00 N ATOM 244 CA GLN A 18 -7.388 12.550 4.613 1.00 0.00 C ATOM 245 C GLN A 18 -7.772 11.356 3.745 1.00 0.00 C ATOM 246 O GLN A 18 -7.813 10.219 4.217 1.00 0.00 O ATOM 247 CB GLN A 18 -8.623 13.408 4.894 1.00 0.00 C ATOM 248 CG GLN A 18 -8.338 14.613 5.776 1.00 0.00 C ATOM 249 CD GLN A 18 -9.602 15.326 6.216 1.00 0.00 C ATOM 250 OE1 GLN A 18 -10.502 15.571 5.413 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.675 15.662 7.499 1.00 0.00 N ATOM 0 H GLN A 18 -6.665 14.266 3.648 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.990 12.177 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.040 13.752 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.384 12.790 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.782 14.291 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.701 15.312 5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.905 15.439 8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.501 16.143 7.854 1.00 0.00 H new ATOM 260 N LYS A 19 -8.052 11.620 2.473 1.00 0.00 N ATOM 261 CA LYS A 19 -8.431 10.568 1.538 1.00 0.00 C ATOM 262 C LYS A 19 -7.433 9.416 1.582 1.00 0.00 C ATOM 263 O LYS A 19 -7.776 8.272 1.278 1.00 0.00 O ATOM 264 CB LYS A 19 -8.518 11.128 0.116 1.00 0.00 C ATOM 265 CG LYS A 19 -9.528 10.408 -0.760 1.00 0.00 C ATOM 266 CD LYS A 19 -8.987 9.078 -1.257 1.00 0.00 C ATOM 267 CE LYS A 19 -9.625 8.675 -2.578 1.00 0.00 C ATOM 268 NZ LYS A 19 -9.135 9.511 -3.708 1.00 0.00 N ATOM 0 H LYS A 19 -8.023 12.555 2.066 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.410 10.189 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.781 12.185 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.535 11.066 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.446 10.241 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.787 11.038 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.906 9.147 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.175 8.306 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.408 7.626 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.708 8.767 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.325 9.025 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.626 10.428 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.111 9.665 -3.607 1.00 0.00 H new ATOM 282 N LEU A 20 -6.198 9.723 1.963 1.00 0.00 N ATOM 283 CA LEU A 20 -5.150 8.712 2.048 1.00 0.00 C ATOM 284 C LEU A 20 -5.352 7.819 3.269 1.00 0.00 C ATOM 285 O LEU A 20 -5.419 6.597 3.151 1.00 0.00 O ATOM 286 CB LEU A 20 -3.775 9.378 2.112 1.00 0.00 C ATOM 287 CG LEU A 20 -3.100 9.655 0.768 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.966 10.654 0.935 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.587 8.361 0.153 1.00 0.00 C ATOM 0 H LEU A 20 -5.898 10.664 2.218 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.205 8.092 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.875 10.322 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.114 8.745 2.704 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.840 10.087 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.498 10.838 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.361 11.590 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.225 10.251 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.110 8.577 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.862 7.901 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.421 7.677 -0.004 1.00 0.00 H new ATOM 301 N ASN A 21 -5.451 8.441 4.439 1.00 0.00 N ATOM 302 CA ASN A 21 -5.648 7.703 5.682 1.00 0.00 C ATOM 303 C ASN A 21 -6.938 6.890 5.634 1.00 0.00 C ATOM 304 O ASN A 21 -7.061 5.863 6.300 1.00 0.00 O ATOM 305 CB ASN A 21 -5.682 8.665 6.871 1.00 0.00 C ATOM 306 CG ASN A 21 -5.383 7.971 8.185 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.417 7.215 8.295 1.00 0.00 O ATOM 308 ND2 ASN A 21 -6.212 8.225 9.191 1.00 0.00 N ATOM 0 H ASN A 21 -5.398 9.453 4.553 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.811 7.016 5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.956 9.462 6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.664 9.135 6.927 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.061 7.787 10.100 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.000 8.858 9.055 1.00 0.00 H new ATOM 315 N GLU A 22 -7.896 7.357 4.840 1.00 0.00 N ATOM 316 CA GLU A 22 -9.177 6.673 4.705 1.00 0.00 C ATOM 317 C GLU A 22 -9.036 5.417 3.850 1.00 0.00 C ATOM 318 O GLU A 22 -9.634 4.382 4.144 1.00 0.00 O ATOM 319 CB GLU A 22 -10.218 7.610 4.087 1.00 0.00 C ATOM 320 CG GLU A 22 -10.662 8.725 5.018 1.00 0.00 C ATOM 321 CD GLU A 22 -11.918 9.424 4.534 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.848 8.726 4.079 1.00 0.00 O ATOM 323 OE2 GLU A 22 -11.969 10.669 4.611 1.00 0.00 O ATOM 0 H GLU A 22 -7.810 8.206 4.281 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.509 6.378 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.805 8.049 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.090 7.026 3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.839 8.314 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.858 9.455 5.114 1.00 0.00 H new ATOM 330 N VAL A 23 -8.241 5.517 2.789 1.00 0.00 N ATOM 331 CA VAL A 23 -8.020 4.390 1.891 1.00 0.00 C ATOM 332 C VAL A 23 -7.273 3.263 2.596 1.00 0.00 C ATOM 333 O VAL A 23 -7.745 2.127 2.646 1.00 0.00 O ATOM 334 CB VAL A 23 -7.224 4.815 0.642 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.649 3.597 -0.065 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.104 5.622 -0.300 1.00 0.00 C ATOM 0 H VAL A 23 -7.740 6.367 2.531 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.003 4.034 1.583 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.394 5.447 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.090 3.917 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.983 3.063 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.461 2.937 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.526 5.914 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.955 5.016 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.462 6.515 0.212 1.00 0.00 H new ATOM 346 N TYR A 24 -6.105 3.585 3.142 1.00 0.00 N ATOM 347 CA TYR A 24 -5.292 2.600 3.843 1.00 0.00 C ATOM 348 C TYR A 24 -6.155 1.721 4.743 1.00 0.00 C ATOM 349 O TYR A 24 -6.135 0.496 4.636 1.00 0.00 O ATOM 350 CB TYR A 24 -4.213 3.297 4.675 1.00 0.00 C ATOM 351 CG TYR A 24 -3.342 2.342 5.459 1.00 0.00 C ATOM 352 CD1 TYR A 24 -3.845 1.649 6.553 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.015 2.132 5.104 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.052 0.777 7.272 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.214 1.260 5.817 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.737 0.585 6.900 1.00 0.00 C ATOM 357 OH TYR A 24 -0.944 -0.285 7.614 1.00 0.00 O ATOM 0 H TYR A 24 -5.701 4.521 3.112 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.813 1.965 3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.582 3.891 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.691 3.991 5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.874 1.795 6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.603 2.659 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.459 0.248 8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.185 1.108 5.528 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.066 -0.355 7.184 1.00 0.00 H new ATOM 367 N GLU A 25 -6.913 2.359 5.630 1.00 0.00 N ATOM 368 CA GLU A 25 -7.784 1.636 6.549 1.00 0.00 C ATOM 369 C GLU A 25 -8.877 0.889 5.790 1.00 0.00 C ATOM 370 O GLU A 25 -9.353 -0.156 6.233 1.00 0.00 O ATOM 371 CB GLU A 25 -8.416 2.601 7.555 1.00 0.00 C ATOM 372 CG GLU A 25 -7.446 3.096 8.615 1.00 0.00 C ATOM 373 CD GLU A 25 -8.130 3.909 9.697 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.663 3.301 10.649 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.132 5.153 9.591 1.00 0.00 O ATOM 0 H GLU A 25 -6.941 3.374 5.731 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.176 0.908 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.822 3.458 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.254 2.105 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.944 2.242 9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.675 3.704 8.141 1.00 0.00 H new ATOM 382 N ALA A 26 -9.270 1.434 4.643 1.00 0.00 N ATOM 383 CA ALA A 26 -10.305 0.820 3.821 1.00 0.00 C ATOM 384 C ALA A 26 -9.872 -0.558 3.331 1.00 0.00 C ATOM 385 O ALA A 26 -10.702 -1.380 2.943 1.00 0.00 O ATOM 386 CB ALA A 26 -10.644 1.718 2.641 1.00 0.00 C ATOM 0 H ALA A 26 -8.887 2.299 4.262 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.196 0.695 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.418 1.247 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.004 2.679 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.752 1.872 2.033 1.00 0.00 H new ATOM 392 N VAL A 27 -8.565 -0.805 3.352 1.00 0.00 N ATOM 393 CA VAL A 27 -8.022 -2.083 2.910 1.00 0.00 C ATOM 394 C VAL A 27 -7.897 -3.059 4.075 1.00 0.00 C ATOM 395 O VAL A 27 -8.139 -4.257 3.925 1.00 0.00 O ATOM 396 CB VAL A 27 -6.640 -1.908 2.252 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.004 -3.263 1.978 1.00 0.00 C ATOM 398 CG2 VAL A 27 -6.761 -1.098 0.970 1.00 0.00 C ATOM 0 H VAL A 27 -7.864 -0.136 3.671 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.719 -2.486 2.175 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.994 -1.363 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.029 -3.120 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.883 -3.804 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.644 -3.837 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.776 -0.983 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.422 -1.615 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.172 -0.115 1.198 1.00 0.00 H new ATOM 408 N LYS A 28 -7.518 -2.538 5.238 1.00 0.00 N ATOM 409 CA LYS A 28 -7.363 -3.362 6.431 1.00 0.00 C ATOM 410 C LYS A 28 -8.712 -3.888 6.909 1.00 0.00 C ATOM 411 O LYS A 28 -8.866 -5.080 7.172 1.00 0.00 O ATOM 412 CB LYS A 28 -6.693 -2.558 7.547 1.00 0.00 C ATOM 413 CG LYS A 28 -6.153 -3.417 8.677 1.00 0.00 C ATOM 414 CD LYS A 28 -5.332 -2.598 9.658 1.00 0.00 C ATOM 415 CE LYS A 28 -4.683 -3.479 10.714 1.00 0.00 C ATOM 416 NZ LYS A 28 -5.663 -3.926 11.743 1.00 0.00 N ATOM 0 H LYS A 28 -7.313 -1.549 5.379 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.732 -4.213 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.875 -1.975 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.413 -1.848 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.982 -3.891 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.537 -4.217 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.561 -2.048 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.972 -1.860 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.236 -4.350 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.874 -2.931 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.181 -4.524 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.071 -3.096 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.422 -4.471 11.286 1.00 0.00 H new ATOM 430 N ASN A 29 -9.687 -2.991 7.017 1.00 0.00 N ATOM 431 CA ASN A 29 -11.025 -3.366 7.462 1.00 0.00 C ATOM 432 C ASN A 29 -11.658 -4.367 6.500 1.00 0.00 C ATOM 433 O ASN A 29 -12.372 -5.278 6.918 1.00 0.00 O ATOM 434 CB ASN A 29 -11.911 -2.125 7.582 1.00 0.00 C ATOM 435 CG ASN A 29 -11.595 -1.305 8.817 1.00 0.00 C ATOM 436 OD1 ASN A 29 -11.142 -1.837 9.830 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.833 -0.001 8.738 1.00 0.00 N ATOM 0 H ASN A 29 -9.576 -2.000 6.803 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.937 -3.837 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.784 -1.504 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.957 -2.430 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.640 0.602 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.209 0.398 7.878 1.00 0.00 H new ATOM 444 N TYR A 30 -11.390 -4.190 5.211 1.00 0.00 N ATOM 445 CA TYR A 30 -11.935 -5.076 4.189 1.00 0.00 C ATOM 446 C TYR A 30 -11.965 -6.520 4.680 1.00 0.00 C ATOM 447 O TYR A 30 -11.025 -6.991 5.322 1.00 0.00 O ATOM 448 CB TYR A 30 -11.107 -4.979 2.907 1.00 0.00 C ATOM 449 CG TYR A 30 -11.839 -5.464 1.676 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.768 -4.656 1.032 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.600 -6.730 1.155 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.440 -5.096 -0.092 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.265 -7.177 0.030 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.185 -6.357 -0.589 1.00 0.00 C ATOM 455 OH TYR A 30 -13.850 -6.797 -1.710 1.00 0.00 O ATOM 0 H TYR A 30 -10.799 -3.442 4.849 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.957 -4.761 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.807 -3.942 2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.194 -5.561 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.968 -3.667 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.882 -7.376 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.161 -4.456 -0.579 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.066 -8.163 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.555 -7.705 -1.930 1.00 0.00 H new ATOM 465 N THR A 31 -13.053 -7.220 4.373 1.00 0.00 N ATOM 466 CA THR A 31 -13.208 -8.610 4.782 1.00 0.00 C ATOM 467 C THR A 31 -13.914 -9.425 3.705 1.00 0.00 C ATOM 468 O THR A 31 -14.358 -8.882 2.693 1.00 0.00 O ATOM 469 CB THR A 31 -14.001 -8.724 6.098 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.987 -7.687 6.166 1.00 0.00 O ATOM 471 CG2 THR A 31 -13.073 -8.627 7.299 1.00 0.00 C ATOM 0 H THR A 31 -13.840 -6.846 3.842 1.00 0.00 H new ATOM 0 HA THR A 31 -12.205 -9.007 4.935 1.00 0.00 H new ATOM 0 HB THR A 31 -14.494 -9.696 6.117 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.488 -7.767 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.656 -8.710 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.341 -9.434 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.556 -7.667 7.283 1.00 0.00 H new ATOM 479 N ASP A 32 -14.015 -10.731 3.928 1.00 0.00 N ATOM 480 CA ASP A 32 -14.670 -11.621 2.976 1.00 0.00 C ATOM 481 C ASP A 32 -16.183 -11.605 3.170 1.00 0.00 C ATOM 482 O ASP A 32 -16.709 -10.837 3.975 1.00 0.00 O ATOM 483 CB ASP A 32 -14.138 -13.047 3.130 1.00 0.00 C ATOM 484 CG ASP A 32 -14.282 -13.858 1.858 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.856 -13.370 0.790 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.819 -14.983 1.930 1.00 0.00 O ATOM 0 H ASP A 32 -13.652 -11.197 4.760 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.447 -11.265 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.087 -13.011 3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.673 -13.546 3.938 1.00 0.00 H new ATOM 491 N LYS A 33 -16.878 -12.458 2.424 1.00 0.00 N ATOM 492 CA LYS A 33 -18.331 -12.543 2.513 1.00 0.00 C ATOM 493 C LYS A 33 -18.770 -12.906 3.928 1.00 0.00 C ATOM 494 O LYS A 33 -19.919 -12.682 4.308 1.00 0.00 O ATOM 495 CB LYS A 33 -18.863 -13.581 1.521 1.00 0.00 C ATOM 496 CG LYS A 33 -18.839 -13.110 0.077 1.00 0.00 C ATOM 497 CD LYS A 33 -20.114 -12.369 -0.288 1.00 0.00 C ATOM 498 CE LYS A 33 -19.944 -11.566 -1.569 1.00 0.00 C ATOM 499 NZ LYS A 33 -21.138 -10.723 -1.857 1.00 0.00 N ATOM 0 H LYS A 33 -16.458 -13.100 1.751 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.743 -11.565 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.270 -14.491 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.886 -13.840 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.980 -12.457 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.713 -13.967 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -20.929 -13.083 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -20.394 -11.701 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.062 -10.931 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.769 -12.245 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.983 -10.191 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -21.975 -11.331 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -21.290 -10.057 -1.073 1.00 0.00 H new ATOM 513 N ARG A 34 -17.847 -13.464 4.704 1.00 0.00 N ATOM 514 CA ARG A 34 -18.139 -13.857 6.077 1.00 0.00 C ATOM 515 C ARG A 34 -17.474 -12.905 7.068 1.00 0.00 C ATOM 516 O ARG A 34 -18.146 -12.122 7.738 1.00 0.00 O ATOM 517 CB ARG A 34 -17.665 -15.289 6.333 1.00 0.00 C ATOM 518 CG ARG A 34 -18.351 -16.323 5.455 1.00 0.00 C ATOM 519 CD ARG A 34 -18.139 -17.732 5.985 1.00 0.00 C ATOM 520 NE ARG A 34 -19.112 -18.674 5.438 1.00 0.00 N ATOM 521 CZ ARG A 34 -19.196 -19.945 5.815 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.369 -20.423 6.735 1.00 0.00 N ATOM 523 NH2 ARG A 34 -20.108 -20.741 5.271 1.00 0.00 N ATOM 0 H ARG A 34 -16.890 -13.654 4.405 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.218 -13.808 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.589 -15.341 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.840 -15.539 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -19.419 -16.109 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.964 -16.253 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.132 -18.065 5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.213 -17.725 7.072 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.762 -18.338 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.666 -19.814 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.436 -21.399 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -20.745 -20.377 4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.172 -21.717 5.561 1.00 0.00 H new ATOM 537 N GLY A 35 -16.149 -12.980 7.154 1.00 0.00 N ATOM 538 CA GLY A 35 -15.416 -12.121 8.066 1.00 0.00 C ATOM 539 C GLY A 35 -13.942 -12.467 8.129 1.00 0.00 C ATOM 540 O GLY A 35 -13.329 -12.408 9.195 1.00 0.00 O ATOM 0 H GLY A 35 -15.571 -13.620 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.529 -11.083 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.848 -12.202 9.063 1.00 0.00 H new ATOM 544 N ARG A 36 -13.371 -12.831 6.985 1.00 0.00 N ATOM 545 CA ARG A 36 -11.960 -13.192 6.916 1.00 0.00 C ATOM 546 C ARG A 36 -11.112 -11.992 6.505 1.00 0.00 C ATOM 547 O ARG A 36 -11.233 -11.487 5.389 1.00 0.00 O ATOM 548 CB ARG A 36 -11.753 -14.339 5.925 1.00 0.00 C ATOM 549 CG ARG A 36 -11.969 -15.715 6.533 1.00 0.00 C ATOM 550 CD ARG A 36 -12.219 -16.765 5.462 1.00 0.00 C ATOM 551 NE ARG A 36 -12.621 -18.046 6.034 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.761 -18.954 6.482 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.457 -18.722 6.424 1.00 0.00 N ATOM 554 NH2 ARG A 36 -12.205 -20.097 6.990 1.00 0.00 N ATOM 0 H ARG A 36 -13.864 -12.884 6.094 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.645 -13.516 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.436 -14.211 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.741 -14.283 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.095 -15.995 7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.817 -15.683 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.995 -16.412 4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.314 -16.901 4.869 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.617 -18.256 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.112 -17.845 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.799 -19.421 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.208 -20.279 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.544 -20.793 7.334 1.00 0.00 H new ATOM 568 N ARG A 37 -10.255 -11.540 7.415 1.00 0.00 N ATOM 569 CA ARG A 37 -9.389 -10.398 7.148 1.00 0.00 C ATOM 570 C ARG A 37 -8.275 -10.777 6.176 1.00 0.00 C ATOM 571 O ARG A 37 -7.492 -11.690 6.438 1.00 0.00 O ATOM 572 CB ARG A 37 -8.786 -9.873 8.452 1.00 0.00 C ATOM 573 CG ARG A 37 -8.459 -8.389 8.417 1.00 0.00 C ATOM 574 CD ARG A 37 -8.561 -7.763 9.800 1.00 0.00 C ATOM 575 NE ARG A 37 -9.941 -7.710 10.275 1.00 0.00 N ATOM 576 CZ ARG A 37 -10.290 -7.234 11.466 1.00 0.00 C ATOM 577 NH1 ARG A 37 -9.365 -6.773 12.296 1.00 0.00 N ATOM 578 NH2 ARG A 37 -11.567 -7.218 11.827 1.00 0.00 N ATOM 0 H ARG A 37 -10.142 -11.947 8.343 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.993 -9.613 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.483 -10.064 9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.877 -10.432 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.452 -8.246 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.141 -7.881 7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.957 -8.337 10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.148 -6.755 9.773 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.677 -8.057 9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.383 -6.783 12.021 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.635 -6.408 13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.281 -7.571 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.834 -6.853 12.741 1.00 0.00 H new ATOM 592 N LEU A 38 -8.210 -10.069 5.054 1.00 0.00 N ATOM 593 CA LEU A 38 -7.193 -10.331 4.042 1.00 0.00 C ATOM 594 C LEU A 38 -5.886 -9.625 4.389 1.00 0.00 C ATOM 595 O LEU A 38 -4.812 -10.033 3.946 1.00 0.00 O ATOM 596 CB LEU A 38 -7.683 -9.872 2.667 1.00 0.00 C ATOM 597 CG LEU A 38 -8.976 -10.518 2.166 1.00 0.00 C ATOM 598 CD1 LEU A 38 -10.185 -9.720 2.629 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.960 -10.634 0.649 1.00 0.00 C ATOM 0 H LEU A 38 -8.850 -9.309 4.822 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.010 -11.405 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.828 -8.792 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.896 -10.068 1.939 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.046 -11.521 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.096 -10.194 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.205 -9.688 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.122 -8.705 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.887 -11.096 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.867 -9.641 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.114 -11.249 0.340 1.00 0.00 H new ATOM 611 N SER A 39 -5.984 -8.566 5.186 1.00 0.00 N ATOM 612 CA SER A 39 -4.810 -7.803 5.592 1.00 0.00 C ATOM 613 C SER A 39 -3.982 -8.581 6.610 1.00 0.00 C ATOM 614 O SER A 39 -2.796 -8.310 6.800 1.00 0.00 O ATOM 615 CB SER A 39 -5.230 -6.456 6.183 1.00 0.00 C ATOM 616 OG SER A 39 -5.986 -6.632 7.368 1.00 0.00 O ATOM 0 H SER A 39 -6.865 -8.217 5.563 1.00 0.00 H new ATOM 0 HA SER A 39 -4.197 -7.629 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.344 -5.858 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.818 -5.902 5.452 1.00 0.00 H new ATOM 0 HG SER A 39 -6.840 -6.158 7.285 1.00 0.00 H new ATOM 622 N ALA A 40 -4.615 -9.550 7.263 1.00 0.00 N ATOM 623 CA ALA A 40 -3.938 -10.370 8.260 1.00 0.00 C ATOM 624 C ALA A 40 -2.699 -11.037 7.672 1.00 0.00 C ATOM 625 O ALA A 40 -1.619 -10.992 8.262 1.00 0.00 O ATOM 626 CB ALA A 40 -4.890 -11.417 8.817 1.00 0.00 C ATOM 0 H ALA A 40 -5.597 -9.786 7.119 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.617 -9.719 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.371 -12.022 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.743 -10.923 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.240 -12.058 8.008 1.00 0.00 H new ATOM 632 N ILE A 41 -2.863 -11.657 6.508 1.00 0.00 N ATOM 633 CA ILE A 41 -1.757 -12.333 5.841 1.00 0.00 C ATOM 634 C ILE A 41 -0.737 -11.330 5.314 1.00 0.00 C ATOM 635 O ILE A 41 0.320 -11.711 4.810 1.00 0.00 O ATOM 636 CB ILE A 41 -2.254 -13.206 4.673 1.00 0.00 C ATOM 637 CG1 ILE A 41 -1.192 -14.241 4.294 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.605 -12.337 3.475 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.342 -15.556 5.028 1.00 0.00 C ATOM 0 H ILE A 41 -3.751 -11.705 6.008 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.282 -12.972 6.585 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.153 -13.734 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.242 -14.425 3.221 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.204 -13.829 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.955 -12.968 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.391 -11.635 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.721 -11.785 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.556 -16.242 4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.262 -15.385 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.316 -15.990 4.802 1.00 0.00 H new ATOM 651 N PHE A 42 -1.060 -10.047 5.435 1.00 0.00 N ATOM 652 CA PHE A 42 -0.171 -8.988 4.972 1.00 0.00 C ATOM 653 C PHE A 42 -0.024 -7.899 6.030 1.00 0.00 C ATOM 654 O PHE A 42 -0.051 -6.707 5.719 1.00 0.00 O ATOM 655 CB PHE A 42 -0.699 -8.383 3.670 1.00 0.00 C ATOM 656 CG PHE A 42 -0.821 -9.378 2.552 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.277 -10.116 2.141 1.00 0.00 C ATOM 658 CD2 PHE A 42 -2.034 -9.576 1.912 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.168 -11.033 1.112 1.00 0.00 C ATOM 660 CE2 PHE A 42 -2.150 -10.491 0.882 1.00 0.00 C ATOM 661 CZ PHE A 42 -1.048 -11.221 0.483 1.00 0.00 C ATOM 0 H PHE A 42 -1.931 -9.715 5.850 1.00 0.00 H new ATOM 0 HA PHE A 42 0.810 -9.426 4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.676 -7.937 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.035 -7.577 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.229 -9.973 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.899 -9.009 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.032 -11.601 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.101 -10.634 0.390 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.136 -11.938 -0.320 1.00 0.00 H new ATOM 671 N LEU A 43 0.129 -8.315 7.282 1.00 0.00 N ATOM 672 CA LEU A 43 0.279 -7.376 8.388 1.00 0.00 C ATOM 673 C LEU A 43 1.752 -7.083 8.657 1.00 0.00 C ATOM 674 O LEU A 43 2.240 -5.990 8.370 1.00 0.00 O ATOM 675 CB LEU A 43 -0.381 -7.934 9.650 1.00 0.00 C ATOM 676 CG LEU A 43 -1.859 -7.593 9.841 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.397 -8.243 11.106 1.00 0.00 C ATOM 678 CD2 LEU A 43 -2.056 -6.085 9.888 1.00 0.00 C ATOM 0 H LEU A 43 0.152 -9.297 7.557 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.213 -6.444 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.277 -9.019 9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.170 -7.569 10.516 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.416 -7.986 8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.450 -7.989 11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.290 -9.325 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.836 -7.881 11.968 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.114 -5.860 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.487 -5.669 10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.709 -5.643 8.954 1.00 0.00 H new ATOM 690 N ARG A 44 2.454 -8.067 9.209 1.00 0.00 N ATOM 691 CA ARG A 44 3.871 -7.915 9.517 1.00 0.00 C ATOM 692 C ARG A 44 4.717 -8.853 8.660 1.00 0.00 C ATOM 693 O ARG A 44 4.587 -10.075 8.745 1.00 0.00 O ATOM 694 CB ARG A 44 4.126 -8.193 10.999 1.00 0.00 C ATOM 695 CG ARG A 44 3.703 -7.054 11.913 1.00 0.00 C ATOM 696 CD ARG A 44 3.454 -7.541 13.332 1.00 0.00 C ATOM 697 NE ARG A 44 2.987 -6.468 14.205 1.00 0.00 N ATOM 698 CZ ARG A 44 2.976 -6.552 15.531 1.00 0.00 C ATOM 699 NH1 ARG A 44 3.404 -7.653 16.133 1.00 0.00 N ATOM 700 NH2 ARG A 44 2.535 -5.532 16.257 1.00 0.00 N ATOM 0 H ARG A 44 2.065 -8.978 9.452 1.00 0.00 H new ATOM 0 HA ARG A 44 4.157 -6.887 9.293 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.591 -9.098 11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.188 -8.390 11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.477 -6.286 11.921 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.797 -6.590 11.522 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.715 -8.342 13.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.374 -7.963 13.737 1.00 0.00 H new ATOM 0 HE ARG A 44 2.651 -5.607 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.743 -8.439 15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.394 -7.714 17.151 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.205 -4.684 15.797 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.527 -5.596 17.275 1.00 0.00 H new ATOM 714 N LEU A 45 5.583 -8.274 7.836 1.00 0.00 N ATOM 715 CA LEU A 45 6.450 -9.058 6.963 1.00 0.00 C ATOM 716 C LEU A 45 7.641 -9.615 7.737 1.00 0.00 C ATOM 717 O LEU A 45 8.046 -9.082 8.770 1.00 0.00 O ATOM 718 CB LEU A 45 6.942 -8.199 5.796 1.00 0.00 C ATOM 719 CG LEU A 45 8.272 -7.476 6.010 1.00 0.00 C ATOM 720 CD1 LEU A 45 8.714 -6.783 4.730 1.00 0.00 C ATOM 721 CD2 LEU A 45 8.158 -6.473 7.149 1.00 0.00 C ATOM 0 H LEU A 45 5.704 -7.265 7.754 1.00 0.00 H new ATOM 0 HA LEU A 45 5.871 -9.895 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.035 -8.836 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.178 -7.454 5.572 1.00 0.00 H new ATOM 0 HG LEU A 45 9.026 -8.216 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.662 -6.274 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.837 -7.523 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.960 -6.055 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.114 -5.968 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.390 -5.737 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.888 -6.994 8.067 1.00 0.00 H new ATOM 733 N PRO A 46 8.217 -10.713 7.225 1.00 0.00 N ATOM 734 CA PRO A 46 9.372 -11.365 7.851 1.00 0.00 C ATOM 735 C PRO A 46 10.641 -10.527 7.740 1.00 0.00 C ATOM 736 O PRO A 46 11.174 -10.332 6.648 1.00 0.00 O ATOM 737 CB PRO A 46 9.518 -12.665 7.056 1.00 0.00 C ATOM 738 CG PRO A 46 8.907 -12.370 5.730 1.00 0.00 C ATOM 739 CD PRO A 46 7.787 -11.401 5.997 1.00 0.00 C ATOM 0 HA PRO A 46 9.225 -11.517 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.565 -12.951 6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.008 -13.491 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.641 -11.940 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.532 -13.280 5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.654 -10.703 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.836 -11.915 6.136 1.00 0.00 H new ATOM 747 N SER A 47 11.121 -10.035 8.878 1.00 0.00 N ATOM 748 CA SER A 47 12.326 -9.215 8.908 1.00 0.00 C ATOM 749 C SER A 47 13.572 -10.074 8.713 1.00 0.00 C ATOM 750 O SER A 47 13.498 -11.303 8.711 1.00 0.00 O ATOM 751 CB SER A 47 12.419 -8.455 10.232 1.00 0.00 C ATOM 752 OG SER A 47 12.600 -9.345 11.320 1.00 0.00 O ATOM 0 H SER A 47 10.694 -10.190 9.791 1.00 0.00 H new ATOM 0 HA SER A 47 12.268 -8.498 8.089 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.250 -7.750 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.512 -7.870 10.384 1.00 0.00 H new ATOM 0 HG SER A 47 12.658 -8.834 12.154 1.00 0.00 H new ATOM 758 N ARG A 48 14.716 -9.417 8.550 1.00 0.00 N ATOM 759 CA ARG A 48 15.979 -10.119 8.354 1.00 0.00 C ATOM 760 C ARG A 48 16.155 -11.223 9.393 1.00 0.00 C ATOM 761 O ARG A 48 16.674 -12.297 9.090 1.00 0.00 O ATOM 762 CB ARG A 48 17.150 -9.138 8.433 1.00 0.00 C ATOM 763 CG ARG A 48 17.334 -8.307 7.174 1.00 0.00 C ATOM 764 CD ARG A 48 18.090 -9.077 6.103 1.00 0.00 C ATOM 765 NE ARG A 48 19.451 -9.402 6.521 1.00 0.00 N ATOM 766 CZ ARG A 48 20.455 -8.533 6.494 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.252 -7.293 6.072 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.666 -8.904 6.891 1.00 0.00 N ATOM 0 H ARG A 48 14.794 -8.400 8.550 1.00 0.00 H new ATOM 0 HA ARG A 48 15.962 -10.575 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.996 -8.470 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 48 18.067 -9.695 8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 48 16.359 -8.008 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.875 -7.392 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 48 17.553 -9.996 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.123 -8.487 5.187 1.00 0.00 H new ATOM 0 HE ARG A 48 19.641 -10.348 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 48 19.323 -7.004 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.025 -6.628 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.826 -9.857 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.437 -8.236 6.870 1.00 0.00 H new ATOM 782 N SER A 49 15.719 -10.950 10.618 1.00 0.00 N ATOM 783 CA SER A 49 15.832 -11.917 11.703 1.00 0.00 C ATOM 784 C SER A 49 15.028 -13.176 11.394 1.00 0.00 C ATOM 785 O SER A 49 15.575 -14.277 11.339 1.00 0.00 O ATOM 786 CB SER A 49 15.350 -11.300 13.018 1.00 0.00 C ATOM 787 OG SER A 49 16.279 -10.347 13.504 1.00 0.00 O ATOM 0 H SER A 49 15.284 -10.067 10.884 1.00 0.00 H new ATOM 0 HA SER A 49 16.882 -12.192 11.803 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.381 -10.824 12.867 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.207 -12.085 13.761 1.00 0.00 H new ATOM 0 HG SER A 49 15.948 -9.966 14.344 1.00 0.00 H new ATOM 793 N GLU A 50 13.725 -13.005 11.194 1.00 0.00 N ATOM 794 CA GLU A 50 12.845 -14.127 10.892 1.00 0.00 C ATOM 795 C GLU A 50 13.277 -14.827 9.606 1.00 0.00 C ATOM 796 O GLU A 50 13.855 -15.914 9.642 1.00 0.00 O ATOM 797 CB GLU A 50 11.397 -13.648 10.762 1.00 0.00 C ATOM 798 CG GLU A 50 10.425 -14.748 10.370 1.00 0.00 C ATOM 799 CD GLU A 50 10.036 -15.628 11.542 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.821 -16.537 11.887 1.00 0.00 O ATOM 801 OE2 GLU A 50 8.948 -15.409 12.114 1.00 0.00 O ATOM 0 H GLU A 50 13.256 -12.100 11.236 1.00 0.00 H new ATOM 0 HA GLU A 50 12.913 -14.840 11.714 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.080 -13.216 11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.352 -12.853 10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.528 -14.300 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.874 -15.364 9.591 1.00 0.00 H new ATOM 808 N LEU A 51 12.993 -14.196 8.472 1.00 0.00 N ATOM 809 CA LEU A 51 13.351 -14.757 7.174 1.00 0.00 C ATOM 810 C LEU A 51 14.162 -13.758 6.354 1.00 0.00 C ATOM 811 O LEU A 51 13.617 -12.928 5.627 1.00 0.00 O ATOM 812 CB LEU A 51 12.092 -15.162 6.406 1.00 0.00 C ATOM 813 CG LEU A 51 12.291 -16.173 5.276 1.00 0.00 C ATOM 814 CD1 LEU A 51 12.193 -17.594 5.808 1.00 0.00 C ATOM 815 CD2 LEU A 51 11.271 -15.944 4.170 1.00 0.00 C ATOM 0 H LEU A 51 12.516 -13.296 8.425 1.00 0.00 H new ATOM 0 HA LEU A 51 13.964 -15.642 7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.376 -15.576 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.641 -14.262 5.987 1.00 0.00 H new ATOM 0 HG LEU A 51 13.288 -16.031 4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.337 -18.300 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.962 -17.753 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.210 -17.749 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.427 -16.672 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.265 -16.058 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.389 -14.937 3.769 1.00 0.00 H new ATOM 827 N PRO A 52 15.495 -13.841 6.471 1.00 0.00 N ATOM 828 CA PRO A 52 16.410 -12.954 5.746 1.00 0.00 C ATOM 829 C PRO A 52 16.425 -13.236 4.247 1.00 0.00 C ATOM 830 O PRO A 52 16.530 -12.318 3.434 1.00 0.00 O ATOM 831 CB PRO A 52 17.774 -13.269 6.363 1.00 0.00 C ATOM 832 CG PRO A 52 17.644 -14.660 6.879 1.00 0.00 C ATOM 833 CD PRO A 52 16.214 -14.807 7.319 1.00 0.00 C ATOM 0 HA PRO A 52 16.119 -11.907 5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.570 -13.194 5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.017 -12.571 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.891 -15.388 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.328 -14.833 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.850 -15.823 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.094 -14.579 8.378 1.00 0.00 H new ATOM 841 N ASP A 53 16.319 -14.511 3.890 1.00 0.00 N ATOM 842 CA ASP A 53 16.320 -14.915 2.488 1.00 0.00 C ATOM 843 C ASP A 53 15.235 -14.176 1.710 1.00 0.00 C ATOM 844 O ASP A 53 15.294 -14.078 0.484 1.00 0.00 O ATOM 845 CB ASP A 53 16.111 -16.425 2.370 1.00 0.00 C ATOM 846 CG ASP A 53 15.169 -16.964 3.429 1.00 0.00 C ATOM 847 OD1 ASP A 53 15.581 -17.043 4.605 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.020 -17.307 3.081 1.00 0.00 O ATOM 0 H ASP A 53 16.231 -15.283 4.551 1.00 0.00 H new ATOM 0 HA ASP A 53 17.289 -14.656 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.714 -16.658 1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.074 -16.930 2.453 1.00 0.00 H new ATOM 853 N TYR A 54 14.245 -13.661 2.430 1.00 0.00 N ATOM 854 CA TYR A 54 13.144 -12.935 1.807 1.00 0.00 C ATOM 855 C TYR A 54 13.657 -11.714 1.050 1.00 0.00 C ATOM 856 O TYR A 54 13.402 -11.558 -0.145 1.00 0.00 O ATOM 857 CB TYR A 54 12.127 -12.503 2.865 1.00 0.00 C ATOM 858 CG TYR A 54 11.227 -11.375 2.414 1.00 0.00 C ATOM 859 CD1 TYR A 54 10.472 -11.484 1.253 1.00 0.00 C ATOM 860 CD2 TYR A 54 11.131 -10.200 3.150 1.00 0.00 C ATOM 861 CE1 TYR A 54 9.649 -10.455 0.837 1.00 0.00 C ATOM 862 CE2 TYR A 54 10.309 -9.167 2.743 1.00 0.00 C ATOM 863 CZ TYR A 54 9.570 -9.299 1.585 1.00 0.00 C ATOM 864 OH TYR A 54 8.750 -8.273 1.175 1.00 0.00 O ATOM 0 H TYR A 54 14.182 -13.733 3.446 1.00 0.00 H new ATOM 0 HA TYR A 54 12.657 -13.603 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.512 -13.361 3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.660 -12.194 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.529 -12.388 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.709 -10.093 4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.070 -10.555 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.245 -8.261 3.328 1.00 0.00 H new ATOM 0 HH TYR A 54 8.184 -7.988 1.923 1.00 0.00 H new ATOM 874 N TYR A 55 14.381 -10.851 1.754 1.00 0.00 N ATOM 875 CA TYR A 55 14.929 -9.642 1.150 1.00 0.00 C ATOM 876 C TYR A 55 15.732 -9.975 -0.104 1.00 0.00 C ATOM 877 O TYR A 55 15.577 -9.332 -1.144 1.00 0.00 O ATOM 878 CB TYR A 55 15.814 -8.901 2.154 1.00 0.00 C ATOM 879 CG TYR A 55 15.036 -8.071 3.150 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.579 -6.801 2.818 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.758 -8.555 4.422 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.868 -6.038 3.725 1.00 0.00 C ATOM 883 CE2 TYR A 55 14.047 -7.800 5.334 1.00 0.00 C ATOM 884 CZ TYR A 55 13.604 -6.542 4.981 1.00 0.00 C ATOM 885 OH TYR A 55 12.897 -5.787 5.888 1.00 0.00 O ATOM 0 H TYR A 55 14.602 -10.966 2.743 1.00 0.00 H new ATOM 0 HA TYR A 55 14.096 -8.999 0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.422 -9.627 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.501 -8.252 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.783 -6.404 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.104 -9.539 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.521 -5.052 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.839 -8.192 6.318 1.00 0.00 H new ATOM 0 HH TYR A 55 12.797 -6.289 6.724 1.00 0.00 H new ATOM 895 N LEU A 56 16.590 -10.984 0.002 1.00 0.00 N ATOM 896 CA LEU A 56 17.418 -11.404 -1.123 1.00 0.00 C ATOM 897 C LEU A 56 16.562 -11.689 -2.353 1.00 0.00 C ATOM 898 O LEU A 56 17.028 -11.577 -3.488 1.00 0.00 O ATOM 899 CB LEU A 56 18.224 -12.650 -0.750 1.00 0.00 C ATOM 900 CG LEU A 56 19.328 -12.448 0.289 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.806 -13.788 0.826 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.488 -11.666 -0.309 1.00 0.00 C ATOM 0 H LEU A 56 16.730 -11.526 0.855 1.00 0.00 H new ATOM 0 HA LEU A 56 18.104 -10.591 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.534 -13.406 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.675 -13.052 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 56 18.919 -11.872 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.591 -13.625 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.972 -14.311 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.198 -14.390 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.264 -11.532 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.897 -12.214 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.135 -10.690 -0.644 1.00 0.00 H new ATOM 914 N THR A 57 15.305 -12.056 -2.122 1.00 0.00 N ATOM 915 CA THR A 57 14.384 -12.355 -3.210 1.00 0.00 C ATOM 916 C THR A 57 13.819 -11.077 -3.820 1.00 0.00 C ATOM 917 O THR A 57 14.117 -10.741 -4.967 1.00 0.00 O ATOM 918 CB THR A 57 13.217 -13.240 -2.731 1.00 0.00 C ATOM 919 OG1 THR A 57 13.725 -14.402 -2.066 1.00 0.00 O ATOM 920 CG2 THR A 57 12.342 -13.661 -3.902 1.00 0.00 C ATOM 0 H THR A 57 14.902 -12.153 -1.190 1.00 0.00 H new ATOM 0 HA THR A 57 14.954 -12.895 -3.966 1.00 0.00 H new ATOM 0 HB THR A 57 12.611 -12.660 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.169 -14.135 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.525 -14.285 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.934 -12.775 -4.388 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.939 -14.225 -4.618 1.00 0.00 H new ATOM 928 N ILE A 58 13.005 -10.367 -3.046 1.00 0.00 N ATOM 929 CA ILE A 58 12.401 -9.124 -3.511 1.00 0.00 C ATOM 930 C ILE A 58 13.360 -7.950 -3.341 1.00 0.00 C ATOM 931 O ILE A 58 13.823 -7.667 -2.236 1.00 0.00 O ATOM 932 CB ILE A 58 11.093 -8.818 -2.758 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.029 -9.864 -3.094 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.599 -7.421 -3.102 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.657 -9.898 -4.560 1.00 0.00 C ATOM 0 H ILE A 58 12.749 -10.631 -2.095 1.00 0.00 H new ATOM 0 HA ILE A 58 12.178 -9.257 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 58 11.289 -8.859 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.392 -10.848 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.134 -9.663 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.674 -7.219 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.353 -6.688 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.416 -7.354 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.898 -10.663 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.264 -8.926 -4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.541 -10.130 -5.154 1.00 0.00 H new ATOM 947 N LYS A 59 13.652 -7.268 -4.443 1.00 0.00 N ATOM 948 CA LYS A 59 14.553 -6.122 -4.418 1.00 0.00 C ATOM 949 C LYS A 59 13.905 -4.937 -3.709 1.00 0.00 C ATOM 950 O LYS A 59 14.575 -4.177 -3.008 1.00 0.00 O ATOM 951 CB LYS A 59 14.946 -5.724 -5.843 1.00 0.00 C ATOM 952 CG LYS A 59 15.850 -6.734 -6.528 1.00 0.00 C ATOM 953 CD LYS A 59 16.774 -6.065 -7.531 1.00 0.00 C ATOM 954 CE LYS A 59 17.446 -7.085 -8.437 1.00 0.00 C ATOM 955 NZ LYS A 59 18.655 -7.679 -7.803 1.00 0.00 N ATOM 0 H LYS A 59 13.277 -7.489 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 59 15.449 -6.408 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.042 -5.596 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.450 -4.758 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.443 -7.259 -5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.242 -7.483 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.206 -5.358 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.534 -5.491 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.738 -7.877 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.726 -6.608 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.084 -8.369 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.342 -6.927 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.385 -8.157 -6.920 1.00 0.00 H new ATOM 969 N LYS A 60 12.598 -4.785 -3.893 1.00 0.00 N ATOM 970 CA LYS A 60 11.859 -3.694 -3.269 1.00 0.00 C ATOM 971 C LYS A 60 10.675 -4.227 -2.468 1.00 0.00 C ATOM 972 O LYS A 60 9.533 -4.225 -2.927 1.00 0.00 O ATOM 973 CB LYS A 60 11.366 -2.710 -4.333 1.00 0.00 C ATOM 974 CG LYS A 60 10.694 -3.382 -5.518 1.00 0.00 C ATOM 975 CD LYS A 60 10.320 -2.374 -6.592 1.00 0.00 C ATOM 976 CE LYS A 60 11.447 -2.186 -7.596 1.00 0.00 C ATOM 977 NZ LYS A 60 11.165 -1.073 -8.544 1.00 0.00 N ATOM 0 H LYS A 60 12.028 -5.404 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 60 12.533 -3.175 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.664 -2.014 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.211 -2.121 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.363 -4.133 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.799 -3.905 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.422 -2.709 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.082 -1.417 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.377 -1.984 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.594 -3.110 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.956 -0.977 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.291 -1.278 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.050 -0.186 -8.014 1.00 0.00 H new ATOM 991 N PRO A 61 10.952 -4.694 -1.241 1.00 0.00 N ATOM 992 CA PRO A 61 9.923 -5.237 -0.350 1.00 0.00 C ATOM 993 C PRO A 61 8.976 -4.159 0.167 1.00 0.00 C ATOM 994 O PRO A 61 9.409 -3.075 0.557 1.00 0.00 O ATOM 995 CB PRO A 61 10.732 -5.836 0.803 1.00 0.00 C ATOM 996 CG PRO A 61 12.010 -5.071 0.807 1.00 0.00 C ATOM 997 CD PRO A 61 12.291 -4.727 -0.630 1.00 0.00 C ATOM 0 HA PRO A 61 9.282 -5.958 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.206 -5.732 1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.909 -6.901 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.924 -4.170 1.414 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.819 -5.665 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.798 -3.767 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.931 -5.472 -1.104 1.00 0.00 H new ATOM 1005 N MET A 62 7.683 -4.465 0.168 1.00 0.00 N ATOM 1006 CA MET A 62 6.676 -3.521 0.639 1.00 0.00 C ATOM 1007 C MET A 62 5.729 -4.188 1.632 1.00 0.00 C ATOM 1008 O MET A 62 5.040 -5.151 1.296 1.00 0.00 O ATOM 1009 CB MET A 62 5.882 -2.958 -0.541 1.00 0.00 C ATOM 1010 CG MET A 62 4.745 -2.039 -0.125 1.00 0.00 C ATOM 1011 SD MET A 62 5.311 -0.627 0.843 1.00 0.00 S ATOM 1012 CE MET A 62 6.425 0.156 -0.320 1.00 0.00 C ATOM 0 H MET A 62 7.308 -5.358 -0.152 1.00 0.00 H new ATOM 0 HA MET A 62 7.189 -2.703 1.145 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.560 -2.411 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.475 -3.785 -1.123 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.229 -1.680 -1.015 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.019 -2.606 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.620 1.181 -0.003 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.363 -0.398 -0.355 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.971 0.163 -1.311 1.00 0.00 H new ATOM 1022 N ASP A 63 5.701 -3.670 2.855 1.00 0.00 N ATOM 1023 CA ASP A 63 4.838 -4.215 3.897 1.00 0.00 C ATOM 1024 C ASP A 63 3.827 -3.173 4.365 1.00 0.00 C ATOM 1025 O ASP A 63 4.088 -1.972 4.310 1.00 0.00 O ATOM 1026 CB ASP A 63 5.676 -4.698 5.082 1.00 0.00 C ATOM 1027 CG ASP A 63 4.824 -5.255 6.205 1.00 0.00 C ATOM 1028 OD1 ASP A 63 4.035 -6.188 5.944 1.00 0.00 O ATOM 1029 OD2 ASP A 63 4.946 -4.759 7.344 1.00 0.00 O ATOM 0 H ASP A 63 6.266 -2.873 3.149 1.00 0.00 H new ATOM 0 HA ASP A 63 4.294 -5.061 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.371 -5.466 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.275 -3.870 5.461 1.00 0.00 H new ATOM 1034 N MET A 64 2.671 -3.642 4.823 1.00 0.00 N ATOM 1035 CA MET A 64 1.620 -2.751 5.301 1.00 0.00 C ATOM 1036 C MET A 64 2.171 -1.757 6.319 1.00 0.00 C ATOM 1037 O MET A 64 1.763 -0.597 6.350 1.00 0.00 O ATOM 1038 CB MET A 64 0.481 -3.559 5.925 1.00 0.00 C ATOM 1039 CG MET A 64 -0.583 -3.981 4.924 1.00 0.00 C ATOM 1040 SD MET A 64 -2.041 -4.686 5.717 1.00 0.00 S ATOM 1041 CE MET A 64 -3.080 -3.234 5.866 1.00 0.00 C ATOM 0 H MET A 64 2.438 -4.634 4.873 1.00 0.00 H new ATOM 0 HA MET A 64 1.235 -2.194 4.447 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.895 -4.449 6.400 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.014 -2.966 6.711 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.880 -3.117 4.329 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.159 -4.712 4.236 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.023 -3.508 6.340 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.573 -2.484 6.474 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.278 -2.825 4.875 1.00 0.00 H new ATOM 1051 N GLU A 65 3.100 -2.220 7.149 1.00 0.00 N ATOM 1052 CA GLU A 65 3.705 -1.371 8.168 1.00 0.00 C ATOM 1053 C GLU A 65 4.514 -0.246 7.529 1.00 0.00 C ATOM 1054 O GLU A 65 4.428 0.910 7.946 1.00 0.00 O ATOM 1055 CB GLU A 65 4.604 -2.201 9.088 1.00 0.00 C ATOM 1056 CG GLU A 65 3.849 -3.239 9.902 1.00 0.00 C ATOM 1057 CD GLU A 65 3.067 -2.625 11.047 1.00 0.00 C ATOM 1058 OE1 GLU A 65 3.689 -2.293 12.078 1.00 0.00 O ATOM 1059 OE2 GLU A 65 1.835 -2.478 10.914 1.00 0.00 O ATOM 0 H GLU A 65 3.450 -3.178 7.136 1.00 0.00 H new ATOM 0 HA GLU A 65 2.903 -0.929 8.758 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.361 -2.704 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.131 -1.531 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.165 -3.781 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.555 -3.968 10.299 1.00 0.00 H new ATOM 1066 N LYS A 66 5.299 -0.592 6.515 1.00 0.00 N ATOM 1067 CA LYS A 66 6.124 0.387 5.817 1.00 0.00 C ATOM 1068 C LYS A 66 5.270 1.531 5.278 1.00 0.00 C ATOM 1069 O LYS A 66 5.648 2.699 5.377 1.00 0.00 O ATOM 1070 CB LYS A 66 6.883 -0.282 4.668 1.00 0.00 C ATOM 1071 CG LYS A 66 7.711 0.687 3.841 1.00 0.00 C ATOM 1072 CD LYS A 66 8.358 -0.006 2.654 1.00 0.00 C ATOM 1073 CE LYS A 66 9.725 -0.569 3.015 1.00 0.00 C ATOM 1074 NZ LYS A 66 9.632 -1.961 3.536 1.00 0.00 N ATOM 0 H LYS A 66 5.381 -1.544 6.158 1.00 0.00 H new ATOM 0 HA LYS A 66 6.841 0.796 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.539 -1.051 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.169 -0.785 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.076 1.500 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.483 1.134 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.712 -0.812 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.460 0.700 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.368 -0.553 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.194 0.069 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.089 -2.014 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.632 -2.233 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.110 -2.610 2.879 1.00 0.00 H new ATOM 1088 N ILE A 67 4.120 1.188 4.708 1.00 0.00 N ATOM 1089 CA ILE A 67 3.213 2.187 4.156 1.00 0.00 C ATOM 1090 C ILE A 67 2.712 3.133 5.242 1.00 0.00 C ATOM 1091 O ILE A 67 2.823 4.353 5.116 1.00 0.00 O ATOM 1092 CB ILE A 67 2.004 1.529 3.466 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.442 0.837 2.173 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.929 2.566 3.179 1.00 0.00 C ATOM 1095 CD1 ILE A 67 1.587 -0.357 1.808 1.00 0.00 C ATOM 0 H ILE A 67 3.794 0.226 4.616 1.00 0.00 H new ATOM 0 HA ILE A 67 3.779 2.753 3.416 1.00 0.00 H new ATOM 0 HB ILE A 67 1.587 0.777 4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.413 1.558 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.478 0.514 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.081 2.085 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.601 3.018 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.334 3.338 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.955 -0.798 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.636 -1.097 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.554 -0.037 1.673 1.00 0.00 H new ATOM 1107 N ARG A 68 2.161 2.562 6.308 1.00 0.00 N ATOM 1108 CA ARG A 68 1.643 3.355 7.417 1.00 0.00 C ATOM 1109 C ARG A 68 2.697 4.335 7.924 1.00 0.00 C ATOM 1110 O ARG A 68 2.422 5.522 8.099 1.00 0.00 O ATOM 1111 CB ARG A 68 1.190 2.441 8.557 1.00 0.00 C ATOM 1112 CG ARG A 68 0.075 3.032 9.405 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.157 2.216 10.667 1.00 0.00 C ATOM 1114 NE ARG A 68 -0.891 2.971 11.679 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.197 3.205 11.617 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -2.909 2.746 10.596 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -2.794 3.900 12.577 1.00 0.00 N ATOM 0 H ARG A 68 2.062 1.554 6.427 1.00 0.00 H new ATOM 0 HA ARG A 68 0.787 3.925 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.853 1.492 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.045 2.222 9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.326 4.058 9.675 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.845 3.072 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.711 1.311 10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.803 1.900 11.076 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.373 3.339 12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.454 2.212 9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.912 2.927 10.551 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.250 4.255 13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.797 4.079 12.529 1.00 0.00 H new ATOM 1131 N SER A 69 3.903 3.829 8.159 1.00 0.00 N ATOM 1132 CA SER A 69 4.997 4.659 8.650 1.00 0.00 C ATOM 1133 C SER A 69 5.022 6.005 7.933 1.00 0.00 C ATOM 1134 O SER A 69 4.748 7.046 8.531 1.00 0.00 O ATOM 1135 CB SER A 69 6.335 3.941 8.459 1.00 0.00 C ATOM 1136 OG SER A 69 6.654 3.148 9.589 1.00 0.00 O ATOM 0 H SER A 69 4.148 2.849 8.018 1.00 0.00 H new ATOM 0 HA SER A 69 4.837 4.837 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.290 3.312 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.124 4.674 8.291 1.00 0.00 H new ATOM 0 HG SER A 69 7.512 2.698 9.441 1.00 0.00 H new ATOM 1142 N HIS A 70 5.353 5.977 6.645 1.00 0.00 N ATOM 1143 CA HIS A 70 5.414 7.195 5.845 1.00 0.00 C ATOM 1144 C HIS A 70 4.043 7.860 5.762 1.00 0.00 C ATOM 1145 O HIS A 70 3.909 9.058 6.007 1.00 0.00 O ATOM 1146 CB HIS A 70 5.927 6.881 4.439 1.00 0.00 C ATOM 1147 CG HIS A 70 7.317 6.323 4.420 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.716 5.326 3.554 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.405 6.629 5.165 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.988 5.042 3.769 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.430 5.820 4.741 1.00 0.00 N ATOM 0 H HIS A 70 5.583 5.125 6.134 1.00 0.00 H new ATOM 0 HA HIS A 70 6.104 7.885 6.330 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.252 6.169 3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.901 7.791 3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.457 7.372 5.948 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.568 4.300 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.379 5.820 5.116 1.00 0.00 H new ATOM 1160 N MET A 71 3.030 7.074 5.415 1.00 0.00 N ATOM 1161 CA MET A 71 1.669 7.587 5.300 1.00 0.00 C ATOM 1162 C MET A 71 1.336 8.507 6.470 1.00 0.00 C ATOM 1163 O MET A 71 0.525 9.424 6.338 1.00 0.00 O ATOM 1164 CB MET A 71 0.669 6.431 5.243 1.00 0.00 C ATOM 1165 CG MET A 71 -0.709 6.844 4.750 1.00 0.00 C ATOM 1166 SD MET A 71 -1.751 7.498 6.068 1.00 0.00 S ATOM 1167 CE MET A 71 -2.132 6.000 6.974 1.00 0.00 C ATOM 0 H MET A 71 3.125 6.080 5.208 1.00 0.00 H new ATOM 0 HA MET A 71 1.600 8.163 4.377 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.062 5.653 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.574 5.994 6.237 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.601 7.598 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.201 5.984 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.036 6.187 8.044 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.152 5.689 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.439 5.211 6.681 1.00 0.00 H new ATOM 1177 N MET A 72 1.965 8.256 7.613 1.00 0.00 N ATOM 1178 CA MET A 72 1.735 9.064 8.805 1.00 0.00 C ATOM 1179 C MET A 72 2.670 10.269 8.835 1.00 0.00 C ATOM 1180 O MET A 72 2.326 11.319 9.377 1.00 0.00 O ATOM 1181 CB MET A 72 1.932 8.219 10.065 1.00 0.00 C ATOM 1182 CG MET A 72 0.694 7.436 10.472 1.00 0.00 C ATOM 1183 SD MET A 72 -0.549 8.469 11.271 1.00 0.00 S ATOM 1184 CE MET A 72 -1.811 8.523 10.001 1.00 0.00 C ATOM 0 H MET A 72 2.638 7.500 7.739 1.00 0.00 H new ATOM 0 HA MET A 72 0.707 9.426 8.775 1.00 0.00 H new ATOM 0 HB2 MET A 72 2.754 7.523 9.901 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.226 8.871 10.887 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.259 6.967 9.589 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.983 6.633 11.149 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.316 9.488 10.031 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.349 8.385 9.023 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.536 7.728 10.175 1.00 0.00 H new ATOM 1194 N ALA A 73 3.852 10.109 8.250 1.00 0.00 N ATOM 1195 CA ALA A 73 4.835 11.185 8.208 1.00 0.00 C ATOM 1196 C ALA A 73 4.597 12.100 7.012 1.00 0.00 C ATOM 1197 O ALA A 73 5.487 12.842 6.600 1.00 0.00 O ATOM 1198 CB ALA A 73 6.244 10.611 8.164 1.00 0.00 C ATOM 0 H ALA A 73 4.152 9.245 7.799 1.00 0.00 H new ATOM 0 HA ALA A 73 4.725 11.780 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.968 11.425 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.418 10.005 9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.357 9.991 7.274 1.00 0.00 H new ATOM 1204 N ASN A 74 3.390 12.041 6.458 1.00 0.00 N ATOM 1205 CA ASN A 74 3.036 12.864 5.308 1.00 0.00 C ATOM 1206 C ASN A 74 4.211 12.983 4.341 1.00 0.00 C ATOM 1207 O ASN A 74 4.618 14.085 3.973 1.00 0.00 O ATOM 1208 CB ASN A 74 2.596 14.256 5.767 1.00 0.00 C ATOM 1209 CG ASN A 74 1.883 14.225 7.105 1.00 0.00 C ATOM 1210 OD1 ASN A 74 2.452 14.592 8.133 1.00 0.00 O ATOM 1211 ND2 ASN A 74 0.630 13.785 7.097 1.00 0.00 N ATOM 0 H ASN A 74 2.641 11.432 6.787 1.00 0.00 H new ATOM 0 HA ASN A 74 2.208 12.381 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.469 14.905 5.839 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.936 14.691 5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.099 13.741 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.198 13.491 6.221 1.00 0.00 H new ATOM 1218 N LYS A 75 4.751 11.840 3.933 1.00 0.00 N ATOM 1219 CA LYS A 75 5.878 11.813 3.008 1.00 0.00 C ATOM 1220 C LYS A 75 5.398 11.638 1.571 1.00 0.00 C ATOM 1221 O LYS A 75 6.145 11.881 0.622 1.00 0.00 O ATOM 1222 CB LYS A 75 6.841 10.682 3.376 1.00 0.00 C ATOM 1223 CG LYS A 75 7.778 11.030 4.520 1.00 0.00 C ATOM 1224 CD LYS A 75 8.925 10.038 4.622 1.00 0.00 C ATOM 1225 CE LYS A 75 9.930 10.456 5.684 1.00 0.00 C ATOM 1226 NZ LYS A 75 9.472 10.095 7.054 1.00 0.00 N ATOM 0 H LYS A 75 4.426 10.919 4.228 1.00 0.00 H new ATOM 0 HA LYS A 75 6.401 12.766 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.264 9.798 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.433 10.420 2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.176 12.034 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.221 11.042 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.532 9.049 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.426 9.958 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.889 9.978 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.092 11.532 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.470 10.944 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.510 9.702 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.116 9.386 7.460 1.00 0.00 H new ATOM 1240 N TYR A 76 4.147 11.217 1.417 1.00 0.00 N ATOM 1241 CA TYR A 76 3.568 11.009 0.095 1.00 0.00 C ATOM 1242 C TYR A 76 3.255 12.341 -0.579 1.00 0.00 C ATOM 1243 O TYR A 76 3.302 13.395 0.055 1.00 0.00 O ATOM 1244 CB TYR A 76 2.296 10.166 0.200 1.00 0.00 C ATOM 1245 CG TYR A 76 1.339 10.644 1.269 1.00 0.00 C ATOM 1246 CD1 TYR A 76 0.775 11.912 1.208 1.00 0.00 C ATOM 1247 CD2 TYR A 76 0.999 9.827 2.340 1.00 0.00 C ATOM 1248 CE1 TYR A 76 -0.098 12.353 2.183 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.125 10.259 3.318 1.00 0.00 C ATOM 1250 CZ TYR A 76 -0.421 11.523 3.236 1.00 0.00 C ATOM 1251 OH TYR A 76 -1.292 11.958 4.208 1.00 0.00 O ATOM 0 H TYR A 76 3.515 11.013 2.191 1.00 0.00 H new ATOM 0 HA TYR A 76 4.299 10.478 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.785 10.173 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.572 9.132 0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.024 12.564 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.425 8.837 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.526 13.343 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.130 9.610 4.143 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.414 11.253 4.877 1.00 0.00 H new ATOM 1261 N GLN A 77 2.936 12.284 -1.868 1.00 0.00 N ATOM 1262 CA GLN A 77 2.615 13.486 -2.628 1.00 0.00 C ATOM 1263 C GLN A 77 1.216 13.393 -3.228 1.00 0.00 C ATOM 1264 O GLN A 77 0.579 14.410 -3.503 1.00 0.00 O ATOM 1265 CB GLN A 77 3.645 13.703 -3.738 1.00 0.00 C ATOM 1266 CG GLN A 77 5.005 14.149 -3.226 1.00 0.00 C ATOM 1267 CD GLN A 77 5.055 15.633 -2.916 1.00 0.00 C ATOM 1268 OE1 GLN A 77 4.859 16.470 -3.798 1.00 0.00 O ATOM 1269 NE2 GLN A 77 5.317 15.966 -1.658 1.00 0.00 N ATOM 0 H GLN A 77 2.893 11.419 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 77 2.642 14.335 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.763 12.776 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.265 14.451 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.253 13.585 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.765 13.912 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.473 15.239 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.362 16.949 -1.390 1.00 0.00 H new ATOM 1278 N ASP A 78 0.744 12.168 -3.430 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.580 11.942 -3.998 1.00 0.00 C ATOM 1280 C ASP A 78 -0.982 10.476 -3.871 1.00 0.00 C ATOM 1281 O ASP A 78 -0.142 9.611 -3.622 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.608 12.367 -5.467 1.00 0.00 C ATOM 1283 CG ASP A 78 0.364 11.573 -6.317 1.00 0.00 C ATOM 1284 OD1 ASP A 78 1.440 11.203 -5.801 1.00 0.00 O ATOM 1285 OD2 ASP A 78 0.049 11.321 -7.499 1.00 0.00 O ATOM 0 H ASP A 78 1.259 11.316 -3.209 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.296 12.546 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.617 12.241 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.368 13.428 -5.540 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.272 10.205 -4.043 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.785 8.844 -3.948 1.00 0.00 C ATOM 1292 C ILE A 79 -1.849 7.854 -4.632 1.00 0.00 C ATOM 1293 O ILE A 79 -1.389 6.892 -4.018 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.187 8.726 -4.575 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.191 9.579 -3.798 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.632 7.271 -4.607 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.556 9.003 -2.448 1.00 0.00 C ATOM 0 H ILE A 79 -2.980 10.910 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.849 8.605 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.143 9.095 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.776 10.577 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.097 9.691 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.624 7.204 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.928 6.688 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.663 6.878 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.271 9.660 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.001 8.017 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.659 8.916 -1.835 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.568 8.099 -5.908 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.684 7.231 -6.676 1.00 0.00 C ATOM 1311 C ASP A 80 0.452 6.703 -5.804 1.00 0.00 C ATOM 1312 O ASP A 80 0.868 5.553 -5.939 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.113 7.984 -7.878 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.010 7.895 -9.097 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -1.072 6.808 -9.708 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.648 8.912 -9.440 1.00 0.00 O ATOM 0 H ASP A 80 -1.940 8.892 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.268 6.383 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.031 9.031 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.869 7.580 -8.123 1.00 0.00 H new ATOM 1321 N SER A 81 0.949 7.553 -4.911 1.00 0.00 N ATOM 1322 CA SER A 81 2.040 7.174 -4.021 1.00 0.00 C ATOM 1323 C SER A 81 1.723 5.868 -3.298 1.00 0.00 C ATOM 1324 O SER A 81 2.458 4.889 -3.412 1.00 0.00 O ATOM 1325 CB SER A 81 2.303 8.284 -3.001 1.00 0.00 C ATOM 1326 OG SER A 81 2.642 9.499 -3.646 1.00 0.00 O ATOM 0 H SER A 81 0.614 8.508 -4.785 1.00 0.00 H new ATOM 0 HA SER A 81 2.935 7.026 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.417 8.432 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.111 7.985 -2.334 1.00 0.00 H new ATOM 0 HG SER A 81 1.889 9.798 -4.198 1.00 0.00 H new ATOM 1332 N MET A 82 0.622 5.864 -2.554 1.00 0.00 N ATOM 1333 CA MET A 82 0.205 4.679 -1.813 1.00 0.00 C ATOM 1334 C MET A 82 -0.117 3.530 -2.762 1.00 0.00 C ATOM 1335 O MET A 82 0.307 2.394 -2.544 1.00 0.00 O ATOM 1336 CB MET A 82 -1.014 4.996 -0.945 1.00 0.00 C ATOM 1337 CG MET A 82 -1.089 4.165 0.325 1.00 0.00 C ATOM 1338 SD MET A 82 -2.044 4.968 1.626 1.00 0.00 S ATOM 1339 CE MET A 82 -3.715 4.644 1.069 1.00 0.00 C ATOM 0 H MET A 82 0.003 6.667 -2.448 1.00 0.00 H new ATOM 0 HA MET A 82 1.030 4.375 -1.169 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.994 6.052 -0.677 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.919 4.832 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.536 3.198 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.080 3.971 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.349 5.500 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.713 4.476 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.101 3.758 1.574 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.870 3.831 -3.815 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.248 2.823 -4.798 1.00 0.00 C ATOM 1351 C VAL A 83 -0.034 2.025 -5.262 1.00 0.00 C ATOM 1352 O VAL A 83 -0.033 0.795 -5.212 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.927 3.461 -6.024 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.331 2.392 -7.028 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.133 4.284 -5.596 1.00 0.00 C ATOM 0 H VAL A 83 -1.230 4.765 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.955 2.153 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.213 4.128 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.809 2.862 -7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.445 1.849 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.029 1.698 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.601 4.728 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.851 3.640 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.812 5.075 -4.918 1.00 0.00 H new ATOM 1365 N GLU A 84 0.997 2.733 -5.712 1.00 0.00 N ATOM 1366 CA GLU A 84 2.217 2.090 -6.185 1.00 0.00 C ATOM 1367 C GLU A 84 2.779 1.146 -5.126 1.00 0.00 C ATOM 1368 O GLU A 84 3.306 0.080 -5.446 1.00 0.00 O ATOM 1369 CB GLU A 84 3.264 3.142 -6.554 1.00 0.00 C ATOM 1370 CG GLU A 84 2.856 4.024 -7.722 1.00 0.00 C ATOM 1371 CD GLU A 84 3.266 3.445 -9.062 1.00 0.00 C ATOM 1372 OE1 GLU A 84 3.021 2.241 -9.287 1.00 0.00 O ATOM 1373 OE2 GLU A 84 3.831 4.195 -9.885 1.00 0.00 O ATOM 0 H GLU A 84 1.012 3.752 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 84 1.970 1.507 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.457 3.771 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.200 2.640 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.775 4.164 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.307 5.009 -7.603 1.00 0.00 H new ATOM 1380 N ASP A 85 2.664 1.545 -3.864 1.00 0.00 N ATOM 1381 CA ASP A 85 3.160 0.736 -2.757 1.00 0.00 C ATOM 1382 C ASP A 85 2.352 -0.551 -2.620 1.00 0.00 C ATOM 1383 O ASP A 85 2.890 -1.651 -2.748 1.00 0.00 O ATOM 1384 CB ASP A 85 3.104 1.530 -1.451 1.00 0.00 C ATOM 1385 CG ASP A 85 3.553 2.967 -1.628 1.00 0.00 C ATOM 1386 OD1 ASP A 85 4.303 3.241 -2.589 1.00 0.00 O ATOM 1387 OD2 ASP A 85 3.155 3.818 -0.806 1.00 0.00 O ATOM 0 H ASP A 85 2.231 2.425 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 85 4.196 0.472 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.085 1.516 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.735 1.044 -0.706 1.00 0.00 H new ATOM 1392 N PHE A 86 1.057 -0.405 -2.357 1.00 0.00 N ATOM 1393 CA PHE A 86 0.175 -1.555 -2.201 1.00 0.00 C ATOM 1394 C PHE A 86 0.314 -2.513 -3.381 1.00 0.00 C ATOM 1395 O PHE A 86 0.190 -3.728 -3.227 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.279 -1.096 -2.070 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.684 -0.782 -0.659 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.985 -1.800 0.232 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.766 0.530 -0.223 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.358 -1.515 1.532 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.138 0.822 1.076 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.435 -0.202 1.954 1.00 0.00 C ATOM 0 H PHE A 86 0.596 0.498 -2.248 1.00 0.00 H new ATOM 0 HA PHE A 86 0.465 -2.082 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.429 -0.211 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.934 -1.874 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.927 -2.828 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.537 1.335 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.589 -2.318 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.196 1.849 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.727 0.024 2.969 1.00 0.00 H new ATOM 1412 N VAL A 87 0.571 -1.955 -4.560 1.00 0.00 N ATOM 1413 CA VAL A 87 0.727 -2.758 -5.767 1.00 0.00 C ATOM 1414 C VAL A 87 1.923 -3.697 -5.651 1.00 0.00 C ATOM 1415 O VAL A 87 1.874 -4.839 -6.108 1.00 0.00 O ATOM 1416 CB VAL A 87 0.905 -1.870 -7.013 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.331 -2.706 -8.209 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.379 -1.111 -7.313 1.00 0.00 C ATOM 0 H VAL A 87 0.675 -0.951 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.184 -3.346 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 87 1.692 -1.143 -6.810 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.452 -2.061 -9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.278 -3.200 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.570 -3.458 -8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.236 -0.489 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.187 -1.820 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.636 -0.480 -6.462 1.00 0.00 H new ATOM 1428 N MET A 88 2.995 -3.208 -5.037 1.00 0.00 N ATOM 1429 CA MET A 88 4.203 -4.005 -4.860 1.00 0.00 C ATOM 1430 C MET A 88 3.944 -5.187 -3.932 1.00 0.00 C ATOM 1431 O MET A 88 4.148 -6.341 -4.309 1.00 0.00 O ATOM 1432 CB MET A 88 5.333 -3.139 -4.299 1.00 0.00 C ATOM 1433 CG MET A 88 6.050 -2.316 -5.356 1.00 0.00 C ATOM 1434 SD MET A 88 7.776 -2.002 -4.939 1.00 0.00 S ATOM 1435 CE MET A 88 7.690 -0.295 -4.403 1.00 0.00 C ATOM 0 H MET A 88 3.052 -2.264 -4.654 1.00 0.00 H new ATOM 0 HA MET A 88 4.500 -4.391 -5.835 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.925 -2.468 -3.543 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.057 -3.781 -3.797 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.000 -2.837 -6.312 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.532 -1.365 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.684 0.045 -4.111 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.319 0.325 -5.220 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.015 -0.215 -3.551 1.00 0.00 H new ATOM 1445 N MET A 89 3.492 -4.892 -2.717 1.00 0.00 N ATOM 1446 CA MET A 89 3.204 -5.932 -1.736 1.00 0.00 C ATOM 1447 C MET A 89 2.532 -7.131 -2.397 1.00 0.00 C ATOM 1448 O MET A 89 3.022 -8.257 -2.308 1.00 0.00 O ATOM 1449 CB MET A 89 2.311 -5.380 -0.624 1.00 0.00 C ATOM 1450 CG MET A 89 1.797 -6.447 0.329 1.00 0.00 C ATOM 1451 SD MET A 89 1.195 -5.759 1.883 1.00 0.00 S ATOM 1452 CE MET A 89 -0.301 -4.941 1.334 1.00 0.00 C ATOM 0 H MET A 89 3.317 -3.942 -2.389 1.00 0.00 H new ATOM 0 HA MET A 89 4.149 -6.261 -1.303 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.870 -4.636 -0.056 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.461 -4.866 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.993 -7.003 -0.153 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.596 -7.159 0.537 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.605 -4.203 2.076 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.115 -4.444 0.382 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.094 -5.678 1.210 1.00 0.00 H new ATOM 1462 N PHE A 90 1.406 -6.883 -3.058 1.00 0.00 N ATOM 1463 CA PHE A 90 0.666 -7.942 -3.733 1.00 0.00 C ATOM 1464 C PHE A 90 1.563 -8.694 -4.712 1.00 0.00 C ATOM 1465 O PHE A 90 1.644 -9.921 -4.680 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.541 -7.360 -4.472 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.361 -6.422 -3.634 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.526 -6.648 -2.277 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -1.968 -5.314 -4.203 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.282 -5.787 -1.504 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.724 -4.449 -3.435 1.00 0.00 C ATOM 1472 CZ PHE A 90 -2.880 -4.685 -2.084 1.00 0.00 C ATOM 0 H PHE A 90 0.986 -5.957 -3.140 1.00 0.00 H new ATOM 0 HA PHE A 90 0.315 -8.644 -2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.193 -6.832 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.176 -8.177 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.059 -7.507 -1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.849 -5.124 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.405 -5.976 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.192 -3.589 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.469 -4.009 -1.481 1.00 0.00 H new ATOM 1482 N ASN A 91 2.234 -7.947 -5.583 1.00 0.00 N ATOM 1483 CA ASN A 91 3.124 -8.542 -6.574 1.00 0.00 C ATOM 1484 C ASN A 91 4.217 -9.365 -5.898 1.00 0.00 C ATOM 1485 O ASN A 91 4.740 -10.316 -6.478 1.00 0.00 O ATOM 1486 CB ASN A 91 3.755 -7.452 -7.443 1.00 0.00 C ATOM 1487 CG ASN A 91 2.717 -6.627 -8.178 1.00 0.00 C ATOM 1488 OD1 ASN A 91 1.534 -6.651 -7.838 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.157 -5.890 -9.192 1.00 0.00 N ATOM 0 H ASN A 91 2.179 -6.929 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 91 2.533 -9.204 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.360 -6.796 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.428 -7.912 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.505 -5.313 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.147 -5.901 -9.439 1.00 0.00 H new ATOM 1496 N ASN A 92 4.555 -8.993 -4.668 1.00 0.00 N ATOM 1497 CA ASN A 92 5.586 -9.697 -3.913 1.00 0.00 C ATOM 1498 C ASN A 92 5.079 -11.054 -3.436 1.00 0.00 C ATOM 1499 O ASN A 92 5.859 -11.904 -3.008 1.00 0.00 O ATOM 1500 CB ASN A 92 6.032 -8.857 -2.714 1.00 0.00 C ATOM 1501 CG ASN A 92 6.524 -7.482 -3.123 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.657 -7.186 -4.311 1.00 0.00 O ATOM 1503 ND2 ASN A 92 6.798 -6.634 -2.138 1.00 0.00 N ATOM 0 H ASN A 92 4.131 -8.209 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 92 6.438 -9.858 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.199 -8.750 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.826 -9.381 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.133 -5.695 -2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.673 -6.922 -1.168 1.00 0.00 H new ATOM 1510 N ALA A 93 3.767 -11.250 -3.513 1.00 0.00 N ATOM 1511 CA ALA A 93 3.156 -12.505 -3.092 1.00 0.00 C ATOM 1512 C ALA A 93 3.066 -13.489 -4.254 1.00 0.00 C ATOM 1513 O ALA A 93 3.297 -14.687 -4.084 1.00 0.00 O ATOM 1514 CB ALA A 93 1.774 -12.249 -2.507 1.00 0.00 C ATOM 0 H ALA A 93 3.107 -10.556 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 93 3.788 -12.948 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.329 -13.195 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.861 -11.588 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.141 -11.780 -3.261 1.00 0.00 H new ATOM 1520 N CYS A 94 2.730 -12.977 -5.432 1.00 0.00 N ATOM 1521 CA CYS A 94 2.609 -13.812 -6.622 1.00 0.00 C ATOM 1522 C CYS A 94 3.967 -14.369 -7.036 1.00 0.00 C ATOM 1523 O CYS A 94 4.087 -15.541 -7.396 1.00 0.00 O ATOM 1524 CB CYS A 94 2.002 -13.009 -7.774 1.00 0.00 C ATOM 1525 SG CYS A 94 1.769 -13.960 -9.294 1.00 0.00 S ATOM 0 H CYS A 94 2.536 -11.988 -5.589 1.00 0.00 H new ATOM 0 HA CYS A 94 1.951 -14.648 -6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.039 -12.610 -7.457 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.646 -12.156 -7.987 1.00 0.00 H new ATOM 0 HG CYS A 94 1.249 -13.196 -10.208 1.00 0.00 H new ATOM 1531 N THR A 95 4.990 -13.521 -6.983 1.00 0.00 N ATOM 1532 CA THR A 95 6.340 -13.928 -7.355 1.00 0.00 C ATOM 1533 C THR A 95 6.973 -14.789 -6.268 1.00 0.00 C ATOM 1534 O THR A 95 7.579 -15.821 -6.556 1.00 0.00 O ATOM 1535 CB THR A 95 7.241 -12.707 -7.618 1.00 0.00 C ATOM 1536 OG1 THR A 95 7.593 -12.082 -6.379 1.00 0.00 O ATOM 1537 CG2 THR A 95 6.541 -11.701 -8.519 1.00 0.00 C ATOM 0 H THR A 95 4.909 -12.548 -6.686 1.00 0.00 H new ATOM 0 HA THR A 95 6.254 -14.511 -8.272 1.00 0.00 H new ATOM 0 HB THR A 95 8.145 -13.052 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.890 -11.450 -6.120 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.197 -10.848 -8.690 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.301 -12.172 -9.473 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.622 -11.362 -8.041 1.00 0.00 H new ATOM 1545 N TYR A 96 6.829 -14.358 -5.020 1.00 0.00 N ATOM 1546 CA TYR A 96 7.390 -15.090 -3.890 1.00 0.00 C ATOM 1547 C TYR A 96 6.733 -16.459 -3.748 1.00 0.00 C ATOM 1548 O TYR A 96 7.400 -17.490 -3.822 1.00 0.00 O ATOM 1549 CB TYR A 96 7.211 -14.290 -2.599 1.00 0.00 C ATOM 1550 CG TYR A 96 7.833 -14.947 -1.388 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.163 -14.721 -1.055 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.090 -15.795 -0.575 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.735 -15.320 0.050 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.654 -16.398 0.533 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.977 -16.158 0.841 1.00 0.00 C ATOM 1556 OH TYR A 96 9.543 -16.756 1.943 1.00 0.00 O ATOM 0 H TYR A 96 6.329 -13.506 -4.765 1.00 0.00 H new ATOM 0 HA TYR A 96 8.454 -15.235 -4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.650 -13.301 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.146 -14.145 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.760 -14.065 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.054 -15.986 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.770 -15.133 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.062 -17.054 1.154 1.00 0.00 H new ATOM 0 HH TYR A 96 8.874 -17.314 2.392 1.00 0.00 H new ATOM 1566 N ASN A 97 5.420 -16.460 -3.543 1.00 0.00 N ATOM 1567 CA ASN A 97 4.671 -17.702 -3.391 1.00 0.00 C ATOM 1568 C ASN A 97 3.885 -18.023 -4.658 1.00 0.00 C ATOM 1569 O ASN A 97 3.551 -17.129 -5.435 1.00 0.00 O ATOM 1570 CB ASN A 97 3.718 -17.605 -2.197 1.00 0.00 C ATOM 1571 CG ASN A 97 2.581 -16.632 -2.444 1.00 0.00 C ATOM 1572 OD1 ASN A 97 1.874 -16.728 -3.447 1.00 0.00 O ATOM 1573 ND2 ASN A 97 2.400 -15.689 -1.527 1.00 0.00 N ATOM 0 H ASN A 97 4.853 -15.615 -3.478 1.00 0.00 H new ATOM 0 HA ASN A 97 5.384 -18.507 -3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.308 -18.592 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.276 -17.292 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.650 -15.006 -1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 97 3.010 -15.647 -0.711 1.00 0.00 H new ATOM 1580 N GLU A 98 3.592 -19.304 -4.859 1.00 0.00 N ATOM 1581 CA GLU A 98 2.845 -19.742 -6.032 1.00 0.00 C ATOM 1582 C GLU A 98 1.418 -19.203 -6.001 1.00 0.00 C ATOM 1583 O GLU A 98 0.845 -18.955 -4.940 1.00 0.00 O ATOM 1584 CB GLU A 98 2.824 -21.270 -6.110 1.00 0.00 C ATOM 1585 CG GLU A 98 2.193 -21.932 -4.896 1.00 0.00 C ATOM 1586 CD GLU A 98 2.436 -23.429 -4.856 1.00 0.00 C ATOM 1587 OE1 GLU A 98 3.450 -23.881 -5.428 1.00 0.00 O ATOM 1588 OE2 GLU A 98 1.612 -24.147 -4.252 1.00 0.00 O ATOM 0 H GLU A 98 3.861 -20.056 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 98 3.344 -19.348 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.278 -21.572 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.845 -21.634 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.594 -21.478 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.120 -21.742 -4.900 1.00 0.00 H new ATOM 1595 N PRO A 99 0.830 -19.018 -7.192 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.537 -18.507 -7.328 1.00 0.00 C ATOM 1597 C PRO A 99 -1.582 -19.514 -6.860 1.00 0.00 C ATOM 1598 O PRO A 99 -2.783 -19.262 -6.949 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.674 -18.256 -8.832 1.00 0.00 C ATOM 1600 CG PRO A 99 0.306 -19.185 -9.462 1.00 0.00 C ATOM 1601 CD PRO A 99 1.454 -19.293 -8.497 1.00 0.00 C ATOM 0 HA PRO A 99 -0.703 -17.620 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.688 -18.458 -9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.453 -17.218 -9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.143 -20.161 -9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.641 -18.803 -10.426 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.910 -20.283 -8.524 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.240 -18.574 -8.726 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.116 -20.654 -6.359 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.012 -21.698 -5.877 1.00 0.00 C ATOM 1611 C GLU A 100 -2.469 -21.407 -4.450 1.00 0.00 C ATOM 1612 O GLU A 100 -3.656 -21.493 -4.138 1.00 0.00 O ATOM 1613 CB GLU A 100 -1.319 -23.062 -5.934 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.284 -24.235 -5.934 1.00 0.00 C ATOM 1615 CD GLU A 100 -2.793 -24.572 -7.323 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -3.739 -23.901 -7.786 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -2.245 -25.505 -7.946 1.00 0.00 O ATOM 0 H GLU A 100 -0.124 -20.878 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.889 -21.716 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.702 -23.110 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.647 -23.155 -5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.788 -25.109 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.130 -24.004 -5.287 1.00 0.00 H new ATOM 1624 N SER A 101 -1.517 -21.063 -3.589 1.00 0.00 N ATOM 1625 CA SER A 101 -1.820 -20.764 -2.194 1.00 0.00 C ATOM 1626 C SER A 101 -3.037 -19.850 -2.087 1.00 0.00 C ATOM 1627 O SER A 101 -3.503 -19.298 -3.085 1.00 0.00 O ATOM 1628 CB SER A 101 -0.615 -20.108 -1.518 1.00 0.00 C ATOM 1629 OG SER A 101 0.342 -21.078 -1.129 1.00 0.00 O ATOM 0 H SER A 101 -0.530 -20.984 -3.832 1.00 0.00 H new ATOM 0 HA SER A 101 -2.046 -21.702 -1.687 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.156 -19.393 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.945 -19.547 -0.644 1.00 0.00 H new ATOM 0 HG SER A 101 1.103 -20.633 -0.701 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.548 -19.696 -0.871 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.712 -18.850 -0.631 1.00 0.00 C ATOM 1637 C LEU A 102 -4.320 -17.376 -0.622 1.00 0.00 C ATOM 1638 O LEU A 102 -5.041 -16.529 -1.150 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.372 -19.222 0.698 1.00 0.00 C ATOM 1640 CG LEU A 102 -4.666 -18.727 1.960 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -5.053 -17.287 2.259 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -4.995 -19.627 3.143 1.00 0.00 C ATOM 0 H LEU A 102 -3.175 -20.146 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.423 -19.013 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.389 -18.830 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.449 -20.308 0.751 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.590 -18.764 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.541 -16.952 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.766 -16.652 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.131 -17.224 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.484 -19.260 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.071 -19.623 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.666 -20.644 2.929 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.173 -17.077 -0.021 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.684 -15.706 0.053 1.00 0.00 C ATOM 1656 C ILE A 103 -2.699 -15.042 -1.320 1.00 0.00 C ATOM 1657 O ILE A 103 -2.784 -13.819 -1.429 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.255 -15.647 0.624 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.683 -14.236 0.482 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.363 -16.660 -0.078 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.701 -14.082 1.073 1.00 0.00 C ATOM 0 H ILE A 103 -2.565 -17.766 0.422 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.356 -15.168 0.722 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.292 -15.898 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.649 -13.971 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.357 -13.529 0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.644 -16.607 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.764 -17.663 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.329 -16.437 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.043 -13.056 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.670 -14.315 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.388 -14.764 0.572 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.616 -15.857 -2.366 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.619 -15.349 -3.733 1.00 0.00 C ATOM 1675 C TYR A 104 -3.997 -14.818 -4.114 1.00 0.00 C ATOM 1676 O TYR A 104 -4.177 -13.618 -4.321 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.197 -16.449 -4.708 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.501 -16.126 -6.154 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.694 -15.255 -6.876 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.595 -16.690 -6.797 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.968 -14.956 -8.196 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.876 -16.398 -8.118 1.00 0.00 C ATOM 1683 CZ TYR A 104 -3.060 -15.530 -8.813 1.00 0.00 C ATOM 1684 OH TYR A 104 -3.337 -15.236 -10.128 1.00 0.00 O ATOM 0 H TYR A 104 -2.546 -16.872 -2.293 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.905 -14.528 -3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.127 -16.626 -4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.702 -17.376 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.838 -14.804 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.237 -17.369 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.331 -14.276 -8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.730 -16.847 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.139 -15.724 -10.410 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.968 -15.720 -4.203 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.332 -15.345 -4.557 1.00 0.00 C ATOM 1696 C LYS A 105 -6.860 -14.265 -3.618 1.00 0.00 C ATOM 1697 O LYS A 105 -7.808 -13.553 -3.947 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.248 -16.570 -4.509 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.390 -17.169 -3.121 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.577 -18.116 -3.041 1.00 0.00 C ATOM 1701 CE LYS A 105 -8.648 -18.806 -1.688 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.162 -17.896 -0.627 1.00 0.00 N ATOM 0 H LYS A 105 -4.836 -16.717 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.321 -14.946 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -8.235 -16.290 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.859 -17.331 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.477 -17.705 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.511 -16.370 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.499 -17.562 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.500 -18.865 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.294 -19.681 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.657 -19.164 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.195 -18.404 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.532 -17.073 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.118 -17.574 -0.879 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.239 -14.148 -2.449 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.645 -13.153 -1.464 1.00 0.00 C ATOM 1718 C ASP A 106 -6.073 -11.782 -1.809 1.00 0.00 C ATOM 1719 O ASP A 106 -6.697 -10.754 -1.547 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.188 -13.573 -0.066 1.00 0.00 C ATOM 1721 CG ASP A 106 -7.089 -13.029 1.025 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -8.307 -13.305 0.983 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.577 -12.327 1.922 1.00 0.00 O ATOM 0 H ASP A 106 -5.453 -14.730 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.733 -13.087 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -6.166 -14.661 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.169 -13.224 0.100 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.881 -11.774 -2.398 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.225 -10.530 -2.779 1.00 0.00 C ATOM 1730 C ALA A 107 -4.987 -9.829 -3.899 1.00 0.00 C ATOM 1731 O ALA A 107 -5.318 -8.647 -3.793 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.789 -10.799 -3.203 1.00 0.00 C ATOM 0 H ALA A 107 -4.350 -12.616 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.218 -9.871 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.311 -9.861 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.243 -11.250 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.782 -11.480 -4.054 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.261 -10.563 -4.971 1.00 0.00 N ATOM 1739 CA LEU A 108 -5.984 -10.012 -6.112 1.00 0.00 C ATOM 1740 C LEU A 108 -7.209 -9.227 -5.653 1.00 0.00 C ATOM 1741 O LEU A 108 -7.355 -8.045 -5.966 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.409 -11.133 -7.062 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.293 -12.055 -7.554 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -5.873 -13.353 -8.095 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.456 -11.359 -8.617 1.00 0.00 C ATOM 0 H LEU A 108 -4.993 -11.542 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.316 -9.331 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.161 -11.742 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.891 -10.683 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.646 -12.294 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.064 -13.997 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.428 -13.860 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.543 -13.134 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.667 -12.030 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.091 -11.090 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.010 -10.457 -8.197 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.086 -9.891 -4.908 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.296 -9.255 -4.402 1.00 0.00 C ATOM 1759 C VAL A 109 -8.996 -7.871 -3.838 1.00 0.00 C ATOM 1760 O VAL A 109 -9.730 -6.914 -4.086 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.964 -10.109 -3.308 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.182 -9.395 -2.742 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.345 -11.476 -3.858 1.00 0.00 C ATOM 0 H VAL A 109 -7.981 -10.870 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 109 -9.979 -9.160 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.249 -10.255 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.641 -10.014 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.877 -8.442 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.903 -9.217 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.816 -12.066 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.043 -11.353 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.450 -11.989 -4.210 1.00 0.00 H new ATOM 1773 N LEU A 110 -7.911 -7.771 -3.078 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.511 -6.503 -2.478 1.00 0.00 C ATOM 1775 C LEU A 110 -7.145 -5.484 -3.552 1.00 0.00 C ATOM 1776 O LEU A 110 -7.665 -4.368 -3.566 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.326 -6.714 -1.534 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.631 -7.447 -0.227 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.346 -7.753 0.526 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.575 -6.625 0.638 1.00 0.00 C ATOM 0 H LEU A 110 -7.292 -8.553 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.356 -6.116 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.556 -7.271 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.903 -5.739 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.120 -8.391 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.583 -8.275 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.704 -8.382 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.828 -6.822 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.781 -7.162 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.113 -5.665 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.508 -6.458 0.100 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.248 -5.876 -4.452 1.00 0.00 N ATOM 1793 CA HIS A 111 -5.815 -4.997 -5.532 1.00 0.00 C ATOM 1794 C HIS A 111 -6.981 -4.163 -6.054 1.00 0.00 C ATOM 1795 O HIS A 111 -6.894 -2.937 -6.133 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.208 -5.816 -6.672 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.433 -4.993 -7.654 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -4.102 -5.441 -8.916 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -3.925 -3.743 -7.555 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.423 -4.502 -9.549 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.302 -3.461 -8.746 1.00 0.00 N ATOM 0 H HIS A 111 -5.807 -6.796 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.057 -4.322 -5.136 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.552 -6.578 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.007 -6.338 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.996 -3.089 -6.699 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.033 -4.573 -10.553 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.824 -2.589 -8.973 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.070 -4.834 -6.410 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.254 -4.156 -6.924 1.00 0.00 C ATOM 1812 C LYS A 112 -9.820 -3.190 -5.889 1.00 0.00 C ATOM 1813 O LYS A 112 -10.095 -2.029 -6.193 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.321 -5.178 -7.321 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.255 -4.690 -8.415 1.00 0.00 C ATOM 1816 CD LYS A 112 -12.589 -5.416 -8.375 1.00 0.00 C ATOM 1817 CE LYS A 112 -12.511 -6.766 -9.072 1.00 0.00 C ATOM 1818 NZ LYS A 112 -13.536 -7.716 -8.559 1.00 0.00 N ATOM 0 H LYS A 112 -8.158 -5.849 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 112 -8.961 -3.586 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.830 -6.092 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.910 -5.436 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.420 -3.618 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.787 -4.840 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.896 -5.558 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.353 -4.802 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.648 -6.629 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.518 -7.192 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.449 -8.624 -9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.391 -7.867 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.485 -7.322 -8.718 1.00 0.00 H new ATOM 1832 N VAL A 113 -9.992 -3.676 -4.664 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.523 -2.855 -3.583 1.00 0.00 C ATOM 1834 C VAL A 113 -9.810 -1.510 -3.513 1.00 0.00 C ATOM 1835 O VAL A 113 -10.433 -0.456 -3.648 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.392 -3.565 -2.222 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -10.863 -2.655 -1.097 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.172 -4.870 -2.225 1.00 0.00 C ATOM 0 H VAL A 113 -9.771 -4.635 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.579 -2.692 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.341 -3.797 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.763 -3.174 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.256 -1.750 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.908 -2.389 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.068 -5.358 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.225 -4.664 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.783 -5.525 -3.005 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.499 -1.552 -3.302 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.698 -0.336 -3.215 1.00 0.00 C ATOM 1850 C LEU A 114 -8.048 0.629 -4.343 1.00 0.00 C ATOM 1851 O LEU A 114 -7.995 1.848 -4.172 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.208 -0.678 -3.265 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.254 0.503 -3.448 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.061 1.242 -2.132 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.916 0.029 -3.997 1.00 0.00 C ATOM 0 H LEU A 114 -7.968 -2.415 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.921 0.149 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.943 -1.194 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.044 -1.381 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.695 1.193 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.379 2.079 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.023 1.616 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.643 0.561 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.250 0.883 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.469 -0.682 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.069 -0.454 -4.962 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.408 0.077 -5.496 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.770 0.888 -6.654 1.00 0.00 C ATOM 1869 C LEU A 115 -10.244 1.278 -6.605 1.00 0.00 C ATOM 1870 O LEU A 115 -10.645 2.296 -7.169 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.475 0.127 -7.947 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.074 -0.475 -8.067 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.058 -1.586 -9.105 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.059 0.602 -8.420 1.00 0.00 C ATOM 0 H LEU A 115 -8.457 -0.929 -5.655 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.171 1.798 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.204 -0.677 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.631 0.804 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.799 -0.903 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.053 -2.002 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.755 -2.370 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.354 -1.183 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.068 0.155 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.330 1.059 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.051 1.364 -7.640 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.045 0.463 -5.927 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.474 0.725 -5.804 1.00 0.00 C ATOM 1888 C GLU A 116 -12.740 1.824 -4.779 1.00 0.00 C ATOM 1889 O GLU A 116 -13.404 2.818 -5.075 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.217 -0.552 -5.403 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.295 -1.585 -6.514 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.229 -1.169 -7.634 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.436 -1.477 -7.543 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -13.754 -0.536 -8.599 1.00 0.00 O ATOM 0 H GLU A 116 -10.729 -0.384 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.840 1.061 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.720 -0.996 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.228 -0.291 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.298 -1.751 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -13.632 -2.535 -6.099 1.00 0.00 H new ATOM 1901 N THR A 117 -12.218 1.637 -3.571 1.00 0.00 N ATOM 1902 CA THR A 117 -12.399 2.610 -2.501 1.00 0.00 C ATOM 1903 C THR A 117 -12.303 4.036 -3.032 1.00 0.00 C ATOM 1904 O THR A 117 -13.098 4.900 -2.664 1.00 0.00 O ATOM 1905 CB THR A 117 -11.355 2.419 -1.385 1.00 0.00 C ATOM 1906 OG1 THR A 117 -11.403 3.523 -0.474 1.00 0.00 O ATOM 1907 CG2 THR A 117 -9.955 2.297 -1.968 1.00 0.00 C ATOM 0 H THR A 117 -11.666 0.820 -3.309 1.00 0.00 H new ATOM 0 HA THR A 117 -13.395 2.445 -2.089 1.00 0.00 H new ATOM 0 HB THR A 117 -11.591 1.498 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 117 -10.737 3.393 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.235 2.163 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.913 1.438 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.712 3.203 -2.524 1.00 0.00 H new ATOM 1915 N ARG A 118 -11.326 4.274 -3.901 1.00 0.00 N ATOM 1916 CA ARG A 118 -11.126 5.596 -4.482 1.00 0.00 C ATOM 1917 C ARG A 118 -12.448 6.179 -4.973 1.00 0.00 C ATOM 1918 O ARG A 118 -13.126 5.585 -5.811 1.00 0.00 O ATOM 1919 CB ARG A 118 -10.128 5.522 -5.639 1.00 0.00 C ATOM 1920 CG ARG A 118 -8.797 4.896 -5.256 1.00 0.00 C ATOM 1921 CD ARG A 118 -7.672 5.384 -6.156 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.515 4.544 -7.340 1.00 0.00 N ATOM 1923 CZ ARG A 118 -6.587 4.748 -8.269 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -5.738 5.760 -8.150 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -6.507 3.940 -9.318 1.00 0.00 N ATOM 0 H ARG A 118 -10.661 3.569 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.726 6.250 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -10.570 4.947 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.951 6.528 -6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.565 5.137 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.872 3.811 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.873 6.410 -6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.738 5.397 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.153 3.757 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -5.797 6.383 -7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -5.026 5.915 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.158 3.161 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.794 4.098 -10.030 1.00 0.00 H new