USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 802 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 69 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.734 K(o=-1.6,f=-5!) USER MOD Set 1.3: B 501 MET CE :methyl 146:sc= -1.81! (180deg=-2.81!) USER MOD Set 1.4: B 502 THR OG1 : rot 77:sc= 0.977 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0518 K(o=-5.7,f=-6.5!) USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= -5.68! C(o=-8.9!,f=-5.7!) USER MOD Set 3.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 HIS : no HD1:sc= -4.06! C(o=-4.1!,f=-10!) USER MOD Set 4.1: A 54 SER OG : rot -71:sc= 1.27 USER MOD Set 4.2: A 56 LYS NZ :NH3+ -111:sc= -0.643 (180deg=-2.27!) USER MOD Set 5.1: A 20 LYS NZ :NH3+ 152:sc= 1.21 (180deg=-0.213) USER MOD Set 5.2: A 48 TYR OH : rot 49:sc= 0.00467 USER MOD Single : A 19 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.138 (180deg=-0.58) USER MOD Single : A 25 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.85) USER MOD Single : A 31 ASN : amide:sc= 1.01 K(o=1,f=-1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 160:sc= -10! (180deg=-13.1!) USER MOD Single : A 41 THR OG1 : rot -71:sc= 1.36 USER MOD Single : A 49 THR OG1 : rot -71:sc= -2.38! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 70:sc= -1.66 USER MOD Single : A 61 CYS SG : rot 180:sc= -2.79! USER MOD Single : A 65 TYR OH : rot -99:sc= 0.584 USER MOD Single : A 67 TYR OH : rot 75:sc= 0.555 USER MOD Single : A 73 SER OG : rot 60:sc= -3.05! USER MOD Single : A 76 SER OG : rot 22:sc= 0.172 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.238 (180deg=-0.0802) USER MOD Single : A 91 CYS SG : rot 50:sc= -5.32! USER MOD Single : A 100 MET CE :methyl 162:sc= -2.03 (180deg=-2.67!) USER MOD Single : A 105 MET CE :methyl -115:sc= -5.3! (180deg=-10.4!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.254 F(o=-1.3,f=-0.25) USER MOD Single : A 107 ASN : amide:sc= 1.17 K(o=1.2,f=-0.061) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.22! C(o=-3.9!,f=-2.2!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0347) USER MOD Single : B 509 ASN : amide:sc= -0.378 K(o=-0.38,f=-4.1!) USER MOD Single : B 511 GLN : amide:sc= -4.69! C(o=-4.7!,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -2.009 12.313 -0.045 1.00 0.00 N ATOM 174 CA ASN A 19 -1.471 11.061 0.439 1.00 0.00 C ATOM 175 C ASN A 19 -2.446 10.282 1.319 1.00 0.00 C ATOM 176 O ASN A 19 -2.554 9.065 1.185 1.00 0.00 O ATOM 177 CB ASN A 19 -0.139 11.346 1.152 1.00 0.00 C ATOM 178 CG ASN A 19 -0.281 11.966 2.531 1.00 0.00 C ATOM 179 OD1 ASN A 19 -1.228 12.707 2.814 1.00 0.00 O ATOM 180 ND2 ASN A 19 0.689 11.694 3.385 1.00 0.00 N ATOM 0 HA ASN A 19 -1.297 10.406 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.416 10.413 1.243 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.457 12.012 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.675 12.102 4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.453 11.076 3.110 1.00 0.00 H new ATOM 187 N LYS A 20 -3.144 10.954 2.218 1.00 0.00 N ATOM 188 CA LYS A 20 -4.165 10.288 3.006 1.00 0.00 C ATOM 189 C LYS A 20 -5.425 10.108 2.184 1.00 0.00 C ATOM 190 O LYS A 20 -6.145 11.072 1.905 1.00 0.00 O ATOM 191 CB LYS A 20 -4.500 11.075 4.262 1.00 0.00 C ATOM 192 CG LYS A 20 -3.816 10.556 5.509 1.00 0.00 C ATOM 193 CD LYS A 20 -4.789 10.513 6.662 1.00 0.00 C ATOM 194 CE LYS A 20 -4.119 10.304 7.996 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.282 11.459 8.403 1.00 0.00 N ATOM 0 H LYS A 20 -3.025 11.947 2.419 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.770 9.315 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.219 12.117 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.579 11.054 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.416 9.559 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.971 11.196 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.353 11.445 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.507 9.710 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.880 10.126 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.499 9.409 7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.236 11.506 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.322 11.345 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.700 12.337 8.035 1.00 0.00 H new ATOM 209 N PHE A 21 -5.689 8.881 1.799 1.00 0.00 N ATOM 210 CA PHE A 21 -6.896 8.563 1.061 1.00 0.00 C ATOM 211 C PHE A 21 -7.824 7.708 1.899 1.00 0.00 C ATOM 212 O PHE A 21 -7.455 6.620 2.322 1.00 0.00 O ATOM 213 CB PHE A 21 -6.538 7.837 -0.233 1.00 0.00 C ATOM 214 CG PHE A 21 -6.032 8.731 -1.326 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.451 10.051 -1.441 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.130 8.246 -2.246 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.967 10.851 -2.458 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.652 9.026 -3.246 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.063 10.332 -3.363 1.00 0.00 C ATOM 0 H PHE A 21 -5.083 8.081 1.984 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.411 9.493 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.780 7.085 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.419 7.306 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.159 10.454 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.796 7.222 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.294 11.877 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.945 8.619 -3.954 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.680 10.951 -4.161 1.00 0.00 H new ATOM 229 N LYS A 22 -9.016 8.214 2.164 1.00 0.00 N ATOM 230 CA LYS A 22 -10.028 7.441 2.856 1.00 0.00 C ATOM 231 C LYS A 22 -10.461 6.265 1.996 1.00 0.00 C ATOM 232 O LYS A 22 -11.201 6.426 1.029 1.00 0.00 O ATOM 233 CB LYS A 22 -11.236 8.303 3.200 1.00 0.00 C ATOM 234 CG LYS A 22 -11.280 8.774 4.636 1.00 0.00 C ATOM 235 CD LYS A 22 -11.418 7.614 5.612 1.00 0.00 C ATOM 236 CE LYS A 22 -12.809 7.010 5.594 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.844 8.007 5.963 1.00 0.00 N ATOM 0 H LYS A 22 -9.305 9.158 1.909 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.596 7.071 3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.244 9.174 2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.143 7.737 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.372 9.332 4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.117 9.460 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.687 6.845 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.187 7.960 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.022 6.615 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.850 6.169 6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.707 7.514 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.491 8.602 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.060 8.604 5.139 1.00 0.00 H new ATOM 251 N VAL A 23 -9.986 5.092 2.354 1.00 0.00 N ATOM 252 CA VAL A 23 -10.303 3.880 1.635 1.00 0.00 C ATOM 253 C VAL A 23 -11.407 3.133 2.366 1.00 0.00 C ATOM 254 O VAL A 23 -11.926 3.596 3.377 1.00 0.00 O ATOM 255 CB VAL A 23 -9.056 2.972 1.525 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.920 3.701 0.832 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.622 2.513 2.901 1.00 0.00 C ATOM 0 H VAL A 23 -9.368 4.953 3.153 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.634 4.145 0.631 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.318 2.099 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.053 3.044 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.233 3.992 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.657 4.592 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.743 1.874 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.379 3.381 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.431 1.953 3.370 1.00 0.00 H new ATOM 267 N ILE A 24 -11.778 1.992 1.852 1.00 0.00 N ATOM 268 CA ILE A 24 -12.739 1.147 2.518 1.00 0.00 C ATOM 269 C ILE A 24 -12.155 -0.241 2.685 1.00 0.00 C ATOM 270 O ILE A 24 -12.077 -0.980 1.716 1.00 0.00 O ATOM 271 CB ILE A 24 -14.028 1.035 1.704 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.709 2.369 1.499 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.993 0.115 2.370 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.618 2.343 0.295 1.00 0.00 C ATOM 0 H ILE A 24 -11.428 1.622 0.968 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.968 1.590 3.487 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.734 0.644 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.286 2.625 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.957 3.148 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.904 0.049 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.547 -0.875 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.235 0.497 3.362 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.092 3.317 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.035 2.112 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.385 1.581 0.434 1.00 0.00 H new ATOM 286 N ASN A 25 -11.721 -0.613 3.879 1.00 0.00 N ATOM 287 CA ASN A 25 -11.156 -1.940 4.030 1.00 0.00 C ATOM 288 C ASN A 25 -12.248 -2.988 3.829 1.00 0.00 C ATOM 289 O ASN A 25 -13.223 -3.074 4.596 1.00 0.00 O ATOM 290 CB ASN A 25 -10.393 -2.140 5.356 1.00 0.00 C ATOM 291 CG ASN A 25 -11.177 -1.803 6.605 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.166 -0.660 7.059 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.826 -2.796 7.190 1.00 0.00 N ATOM 0 H ASN A 25 -11.747 -0.042 4.723 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.399 -2.063 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.070 -3.179 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.492 -1.527 5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.344 -2.629 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.808 -3.729 6.779 1.00 0.00 H new ATOM 300 N VAL A 26 -12.078 -3.751 2.754 1.00 0.00 N ATOM 301 CA VAL A 26 -13.092 -4.664 2.247 1.00 0.00 C ATOM 302 C VAL A 26 -12.479 -6.045 2.043 1.00 0.00 C ATOM 303 O VAL A 26 -11.414 -6.171 1.442 1.00 0.00 O ATOM 304 CB VAL A 26 -13.658 -4.129 0.911 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.429 -2.847 1.153 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.556 -3.870 -0.094 1.00 0.00 C ATOM 0 H VAL A 26 -11.219 -3.751 2.204 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.906 -4.739 2.968 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.322 -4.891 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.825 -2.476 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.253 -3.042 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.765 -2.099 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.990 -3.495 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.864 -3.130 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.020 -4.798 -0.294 1.00 0.00 H new ATOM 316 N ASP A 27 -13.123 -7.090 2.537 1.00 0.00 N ATOM 317 CA ASP A 27 -12.502 -8.405 2.471 1.00 0.00 C ATOM 318 C ASP A 27 -13.345 -9.426 1.723 1.00 0.00 C ATOM 319 O ASP A 27 -14.514 -9.630 2.039 1.00 0.00 O ATOM 320 CB ASP A 27 -12.186 -8.921 3.877 1.00 0.00 C ATOM 321 CG ASP A 27 -11.656 -10.342 3.876 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.430 -10.528 3.745 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.464 -11.281 4.017 1.00 0.00 O ATOM 0 H ASP A 27 -14.044 -7.060 2.974 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.577 -8.279 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.452 -8.264 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.088 -8.875 4.487 1.00 0.00 H new ATOM 328 N ASP A 28 -12.706 -10.046 0.720 1.00 0.00 N ATOM 329 CA ASP A 28 -13.227 -11.206 -0.038 1.00 0.00 C ATOM 330 C ASP A 28 -14.638 -11.003 -0.612 1.00 0.00 C ATOM 331 O ASP A 28 -15.224 -11.922 -1.178 1.00 0.00 O ATOM 332 CB ASP A 28 -13.188 -12.462 0.836 1.00 0.00 C ATOM 333 CG ASP A 28 -13.257 -13.739 0.021 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.273 -14.050 -0.685 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.283 -14.450 0.096 1.00 0.00 O ATOM 0 H ASP A 28 -11.784 -9.749 0.400 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.570 -11.322 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.272 -12.461 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.021 -12.438 1.539 1.00 0.00 H new ATOM 340 N ASP A 29 -15.167 -9.805 -0.492 1.00 0.00 N ATOM 341 CA ASP A 29 -16.496 -9.497 -1.006 1.00 0.00 C ATOM 342 C ASP A 29 -16.532 -8.052 -1.496 1.00 0.00 C ATOM 343 O ASP A 29 -17.511 -7.583 -2.076 1.00 0.00 O ATOM 344 CB ASP A 29 -17.541 -9.725 0.094 1.00 0.00 C ATOM 345 CG ASP A 29 -18.956 -9.398 -0.343 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.476 -10.073 -1.255 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.564 -8.472 0.235 1.00 0.00 O ATOM 0 H ASP A 29 -14.698 -9.019 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.728 -10.154 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.499 -10.766 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.286 -9.114 0.960 1.00 0.00 H new ATOM 352 N GLY A 30 -15.416 -7.360 -1.281 1.00 0.00 N ATOM 353 CA GLY A 30 -15.373 -5.924 -1.481 1.00 0.00 C ATOM 354 C GLY A 30 -16.306 -5.255 -0.508 1.00 0.00 C ATOM 355 O GLY A 30 -16.788 -4.148 -0.739 1.00 0.00 O ATOM 0 H GLY A 30 -14.537 -7.773 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.357 -5.556 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.660 -5.680 -2.504 1.00 0.00 H new ATOM 359 N ASN A 31 -16.544 -5.948 0.599 1.00 0.00 N ATOM 360 CA ASN A 31 -17.492 -5.499 1.588 1.00 0.00 C ATOM 361 C ASN A 31 -16.832 -4.525 2.512 1.00 0.00 C ATOM 362 O ASN A 31 -15.854 -4.879 3.160 1.00 0.00 O ATOM 363 CB ASN A 31 -18.018 -6.673 2.410 1.00 0.00 C ATOM 364 CG ASN A 31 -19.369 -6.378 3.028 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.464 -5.725 4.068 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.421 -6.875 2.408 1.00 0.00 N ATOM 0 H ASN A 31 -16.085 -6.830 0.827 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.325 -5.025 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.096 -7.554 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.304 -6.912 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.355 -6.724 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.300 -7.411 1.548 1.00 0.00 H new ATOM 373 N GLU A 32 -17.311 -3.288 2.501 1.00 0.00 N ATOM 374 CA GLU A 32 -16.883 -2.290 3.455 1.00 0.00 C ATOM 375 C GLU A 32 -16.978 -2.817 4.893 1.00 0.00 C ATOM 376 O GLU A 32 -17.954 -2.558 5.600 1.00 0.00 O ATOM 377 CB GLU A 32 -17.754 -1.042 3.303 1.00 0.00 C ATOM 378 CG GLU A 32 -18.103 -0.738 1.853 1.00 0.00 C ATOM 379 CD GLU A 32 -18.944 0.506 1.685 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.834 0.753 2.528 1.00 0.00 O ATOM 381 OE2 GLU A 32 -18.722 1.237 0.702 1.00 0.00 O ATOM 0 H GLU A 32 -18.004 -2.955 1.831 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.840 -2.045 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.674 -1.175 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.233 -0.187 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.182 -0.624 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.638 -1.589 1.430 1.00 0.00 H new ATOM 388 N LEU A 33 -15.950 -3.541 5.317 1.00 0.00 N ATOM 389 CA LEU A 33 -15.849 -4.068 6.674 1.00 0.00 C ATOM 390 C LEU A 33 -15.310 -2.974 7.578 1.00 0.00 C ATOM 391 O LEU A 33 -14.622 -3.213 8.574 1.00 0.00 O ATOM 392 CB LEU A 33 -14.933 -5.300 6.687 1.00 0.00 C ATOM 393 CG LEU A 33 -15.620 -6.658 6.466 1.00 0.00 C ATOM 394 CD1 LEU A 33 -16.916 -6.494 5.715 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.722 -7.582 5.670 1.00 0.00 C ATOM 0 H LEU A 33 -15.155 -3.782 4.724 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.829 -4.378 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.173 -5.171 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.413 -5.331 7.645 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.821 -7.084 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.380 -7.470 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.588 -5.852 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.719 -6.041 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.223 -8.539 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.505 -7.133 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.790 -7.741 6.213 1.00 0.00 H new ATOM 407 N GLY A 34 -15.661 -1.767 7.192 1.00 0.00 N ATOM 408 CA GLY A 34 -15.153 -0.575 7.804 1.00 0.00 C ATOM 409 C GLY A 34 -14.399 0.214 6.772 1.00 0.00 C ATOM 410 O GLY A 34 -13.651 -0.362 5.995 1.00 0.00 O ATOM 0 H GLY A 34 -16.318 -1.591 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.972 0.019 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.499 -0.828 8.638 1.00 0.00 H new ATOM 414 N SER A 35 -14.610 1.504 6.694 1.00 0.00 N ATOM 415 CA SER A 35 -13.840 2.272 5.751 1.00 0.00 C ATOM 416 C SER A 35 -12.702 2.978 6.470 1.00 0.00 C ATOM 417 O SER A 35 -12.905 3.706 7.444 1.00 0.00 O ATOM 418 CB SER A 35 -14.722 3.225 4.937 1.00 0.00 C ATOM 419 OG SER A 35 -15.367 4.186 5.755 1.00 0.00 O ATOM 0 H SER A 35 -15.284 2.029 7.251 1.00 0.00 H new ATOM 0 HA SER A 35 -13.397 1.595 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.112 3.735 4.192 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.472 2.649 4.395 1.00 0.00 H new ATOM 0 HG SER A 35 -15.917 4.774 5.197 1.00 0.00 H new ATOM 425 N GLY A 36 -11.497 2.706 6.005 1.00 0.00 N ATOM 426 CA GLY A 36 -10.310 3.184 6.666 1.00 0.00 C ATOM 427 C GLY A 36 -9.679 4.335 5.921 1.00 0.00 C ATOM 428 O GLY A 36 -10.237 4.842 4.965 1.00 0.00 O ATOM 0 H GLY A 36 -11.320 2.153 5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.560 3.500 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.590 2.370 6.755 1.00 0.00 H new ATOM 432 N ILE A 37 -8.535 4.769 6.381 1.00 0.00 N ATOM 433 CA ILE A 37 -7.687 5.646 5.604 1.00 0.00 C ATOM 434 C ILE A 37 -6.625 4.796 4.957 1.00 0.00 C ATOM 435 O ILE A 37 -6.457 3.653 5.317 1.00 0.00 O ATOM 436 CB ILE A 37 -6.977 6.707 6.494 1.00 0.00 C ATOM 437 CG1 ILE A 37 -7.964 7.707 7.087 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.909 7.471 5.720 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.342 8.828 6.138 1.00 0.00 C ATOM 0 H ILE A 37 -8.163 4.528 7.300 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.304 6.171 4.875 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.505 6.150 7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.868 7.177 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.532 8.138 7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.437 8.202 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.156 6.773 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.369 7.985 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.047 9.499 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.448 9.384 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.804 8.408 5.245 1.00 0.00 H new ATOM 451 N MET A 38 -5.932 5.347 4.014 1.00 0.00 N ATOM 452 CA MET A 38 -4.728 4.762 3.531 1.00 0.00 C ATOM 453 C MET A 38 -3.740 5.885 3.305 1.00 0.00 C ATOM 454 O MET A 38 -3.705 6.526 2.256 1.00 0.00 O ATOM 455 CB MET A 38 -4.981 3.925 2.300 1.00 0.00 C ATOM 456 CG MET A 38 -3.796 3.103 1.911 1.00 0.00 C ATOM 457 SD MET A 38 -3.370 1.912 3.173 1.00 0.00 S ATOM 458 CE MET A 38 -4.966 1.132 3.321 1.00 0.00 C ATOM 0 H MET A 38 -6.189 6.221 3.556 1.00 0.00 H new ATOM 0 HA MET A 38 -4.309 4.066 4.258 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.831 3.267 2.481 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.254 4.578 1.471 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.006 2.583 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.944 3.758 1.727 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.850 0.150 3.780 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.616 1.748 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.409 1.020 2.332 1.00 0.00 H new ATOM 468 N GLU A 39 -2.984 6.130 4.355 1.00 0.00 N ATOM 469 CA GLU A 39 -2.051 7.227 4.457 1.00 0.00 C ATOM 470 C GLU A 39 -0.795 6.878 3.665 1.00 0.00 C ATOM 471 O GLU A 39 0.073 6.154 4.166 1.00 0.00 O ATOM 472 CB GLU A 39 -1.688 7.309 5.923 1.00 0.00 C ATOM 473 CG GLU A 39 -0.525 8.207 6.284 1.00 0.00 C ATOM 474 CD GLU A 39 -0.864 9.672 6.334 1.00 0.00 C ATOM 475 OE1 GLU A 39 -0.803 10.337 5.289 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.171 10.173 7.432 1.00 0.00 O ATOM 0 H GLU A 39 -3.005 5.547 5.191 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.468 8.160 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.565 7.650 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.463 6.302 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.135 7.903 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.274 8.056 5.558 1.00 0.00 H new ATOM 483 N LEU A 40 -0.703 7.326 2.432 1.00 0.00 N ATOM 484 CA LEU A 40 0.432 6.967 1.616 1.00 0.00 C ATOM 485 C LEU A 40 1.644 7.835 1.907 1.00 0.00 C ATOM 486 O LEU A 40 1.711 8.991 1.495 1.00 0.00 O ATOM 487 CB LEU A 40 0.070 7.043 0.146 1.00 0.00 C ATOM 488 CG LEU A 40 -0.287 5.705 -0.481 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.678 5.932 -1.902 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.902 4.753 -0.412 1.00 0.00 C ATOM 0 H LEU A 40 -1.389 7.930 1.979 1.00 0.00 H new ATOM 0 HA LEU A 40 0.700 5.941 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.773 7.723 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.908 7.475 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.116 5.255 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.937 4.980 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.539 6.600 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.155 6.383 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.631 3.799 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.745 5.184 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.181 4.594 0.630 1.00 0.00 H new ATOM 502 N THR A 41 2.602 7.274 2.625 1.00 0.00 N ATOM 503 CA THR A 41 3.833 7.981 2.905 1.00 0.00 C ATOM 504 C THR A 41 5.008 7.326 2.195 1.00 0.00 C ATOM 505 O THR A 41 4.814 6.531 1.277 1.00 0.00 O ATOM 506 CB THR A 41 4.134 8.036 4.397 1.00 0.00 C ATOM 507 OG1 THR A 41 4.410 6.725 4.908 1.00 0.00 O ATOM 508 CG2 THR A 41 2.974 8.652 5.155 1.00 0.00 C ATOM 0 H THR A 41 2.549 6.336 3.021 1.00 0.00 H new ATOM 0 HA THR A 41 3.696 8.998 2.537 1.00 0.00 H new ATOM 0 HB THR A 41 5.017 8.660 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.582 6.200 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.209 8.682 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.800 9.665 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.078 8.052 4.999 1.00 0.00 H new ATOM 516 N ASP A 42 6.219 7.666 2.636 1.00 0.00 N ATOM 517 CA ASP A 42 7.444 7.104 2.082 1.00 0.00 C ATOM 518 C ASP A 42 7.446 5.611 2.211 1.00 0.00 C ATOM 519 O ASP A 42 7.696 4.894 1.249 1.00 0.00 O ATOM 520 CB ASP A 42 8.693 7.615 2.813 1.00 0.00 C ATOM 521 CG ASP A 42 8.590 9.050 3.299 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.659 9.366 4.078 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.454 9.866 2.919 1.00 0.00 O ATOM 0 H ASP A 42 6.375 8.338 3.387 1.00 0.00 H new ATOM 0 HA ASP A 42 7.472 7.412 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.890 6.968 3.668 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.550 7.531 2.145 1.00 0.00 H new ATOM 528 N THR A 43 7.187 5.126 3.402 1.00 0.00 N ATOM 529 CA THR A 43 7.412 3.732 3.633 1.00 0.00 C ATOM 530 C THR A 43 6.259 3.019 4.286 1.00 0.00 C ATOM 531 O THR A 43 6.211 1.808 4.219 1.00 0.00 O ATOM 532 CB THR A 43 8.640 3.493 4.499 1.00 0.00 C ATOM 533 OG1 THR A 43 8.411 3.986 5.823 1.00 0.00 O ATOM 534 CG2 THR A 43 9.861 4.172 3.926 1.00 0.00 C ATOM 0 H THR A 43 6.833 5.659 4.196 1.00 0.00 H new ATOM 0 HA THR A 43 7.550 3.324 2.632 1.00 0.00 H new ATOM 0 HB THR A 43 8.819 2.418 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.206 3.826 6.374 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.720 3.980 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.061 3.780 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.685 5.246 3.866 1.00 0.00 H new ATOM 542 N GLU A 44 5.355 3.698 4.957 1.00 0.00 N ATOM 543 CA GLU A 44 4.228 2.964 5.485 1.00 0.00 C ATOM 544 C GLU A 44 2.927 3.508 4.983 1.00 0.00 C ATOM 545 O GLU A 44 2.708 4.715 4.863 1.00 0.00 O ATOM 546 CB GLU A 44 4.189 2.872 7.009 1.00 0.00 C ATOM 547 CG GLU A 44 5.534 2.577 7.649 1.00 0.00 C ATOM 548 CD GLU A 44 5.427 2.224 9.118 1.00 0.00 C ATOM 549 OE1 GLU A 44 5.064 1.066 9.422 1.00 0.00 O ATOM 550 OE2 GLU A 44 5.729 3.086 9.973 1.00 0.00 O ATOM 0 H GLU A 44 5.371 4.701 5.143 1.00 0.00 H new ATOM 0 HA GLU A 44 4.371 1.949 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.807 3.811 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.483 2.093 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.010 1.753 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.182 3.446 7.536 1.00 0.00 H new ATOM 557 N LEU A 45 2.089 2.569 4.684 1.00 0.00 N ATOM 558 CA LEU A 45 0.748 2.807 4.263 1.00 0.00 C ATOM 559 C LEU A 45 -0.142 2.765 5.477 1.00 0.00 C ATOM 560 O LEU A 45 -0.624 1.709 5.879 1.00 0.00 O ATOM 561 CB LEU A 45 0.383 1.724 3.254 1.00 0.00 C ATOM 562 CG LEU A 45 0.585 2.084 1.807 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.018 0.868 1.026 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.699 2.600 1.245 1.00 0.00 C ATOM 0 H LEU A 45 2.329 1.579 4.728 1.00 0.00 H new ATOM 0 HA LEU A 45 0.629 3.782 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.974 0.835 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.663 1.456 3.400 1.00 0.00 H new ATOM 0 HG LEU A 45 1.358 2.849 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.161 1.139 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.955 0.488 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.251 0.097 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.558 2.862 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.467 1.831 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.011 3.484 1.801 1.00 0.00 H new ATOM 576 N ILE A 46 -0.331 3.917 6.079 1.00 0.00 N ATOM 577 CA ILE A 46 -1.023 3.977 7.342 1.00 0.00 C ATOM 578 C ILE A 46 -2.546 3.952 7.103 1.00 0.00 C ATOM 579 O ILE A 46 -3.170 4.981 6.862 1.00 0.00 O ATOM 580 CB ILE A 46 -0.609 5.220 8.182 1.00 0.00 C ATOM 581 CG1 ILE A 46 0.912 5.343 8.311 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.225 5.106 9.530 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.620 4.027 8.429 1.00 0.00 C ATOM 0 H ILE A 46 -0.017 4.817 5.717 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.737 3.101 7.923 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.962 6.117 7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.299 5.876 7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.145 5.949 9.186 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.945 5.970 10.132 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.310 5.068 9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.873 4.196 10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.693 4.198 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.263 3.500 9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.419 3.425 7.543 1.00 0.00 H new ATOM 595 N LEU A 47 -3.130 2.761 7.148 1.00 0.00 N ATOM 596 CA LEU A 47 -4.571 2.586 6.967 1.00 0.00 C ATOM 597 C LEU A 47 -5.300 2.970 8.259 1.00 0.00 C ATOM 598 O LEU A 47 -5.181 2.266 9.256 1.00 0.00 O ATOM 599 CB LEU A 47 -4.891 1.118 6.707 1.00 0.00 C ATOM 600 CG LEU A 47 -6.356 0.698 6.919 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.226 0.945 5.695 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.396 -0.757 7.276 1.00 0.00 C ATOM 0 H LEU A 47 -2.623 1.891 7.310 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.886 3.209 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.611 0.882 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.262 0.509 7.356 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.761 1.311 7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.248 0.629 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.218 2.007 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.837 0.376 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.430 -1.066 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.958 -1.342 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.829 -0.923 8.192 1.00 0.00 H new ATOM 614 N TYR A 48 -6.057 4.049 8.276 1.00 0.00 N ATOM 615 CA TYR A 48 -6.754 4.411 9.511 1.00 0.00 C ATOM 616 C TYR A 48 -8.100 3.720 9.554 1.00 0.00 C ATOM 617 O TYR A 48 -9.058 4.213 8.975 1.00 0.00 O ATOM 618 CB TYR A 48 -6.972 5.916 9.642 1.00 0.00 C ATOM 619 CG TYR A 48 -5.715 6.680 9.860 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.705 6.524 8.973 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.539 7.549 10.928 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.538 7.186 9.099 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.351 8.236 11.078 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.345 8.046 10.154 1.00 0.00 C ATOM 625 OH TYR A 48 -2.156 8.721 10.275 1.00 0.00 O ATOM 0 H TYR A 48 -6.208 4.675 7.485 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.123 4.091 10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.460 6.284 8.740 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.652 6.106 10.472 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.838 5.849 8.140 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.335 7.688 11.645 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.754 7.041 8.371 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.211 8.913 11.908 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.927 9.136 9.417 1.00 0.00 H new ATOM 635 N THR A 49 -8.191 2.606 10.253 1.00 0.00 N ATOM 636 CA THR A 49 -9.429 1.843 10.255 1.00 0.00 C ATOM 637 C THR A 49 -10.530 2.557 11.025 1.00 0.00 C ATOM 638 O THR A 49 -10.313 3.625 11.605 1.00 0.00 O ATOM 639 CB THR A 49 -9.262 0.443 10.838 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.598 0.516 12.086 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.492 -0.437 9.889 1.00 0.00 C ATOM 0 H THR A 49 -7.439 2.212 10.818 1.00 0.00 H new ATOM 0 HA THR A 49 -9.710 1.753 9.206 1.00 0.00 H new ATOM 0 HB THR A 49 -10.250 0.007 10.986 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.659 0.756 11.943 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.383 -1.431 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.029 -0.510 8.943 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.506 -0.008 9.714 1.00 0.00 H new ATOM 649 N ARG A 50 -11.705 1.964 11.025 1.00 0.00 N ATOM 650 CA ARG A 50 -12.833 2.497 11.745 1.00 0.00 C ATOM 651 C ARG A 50 -12.581 2.503 13.248 1.00 0.00 C ATOM 652 O ARG A 50 -12.530 3.561 13.873 1.00 0.00 O ATOM 653 CB ARG A 50 -14.064 1.681 11.412 1.00 0.00 C ATOM 654 CG ARG A 50 -15.260 2.540 11.109 1.00 0.00 C ATOM 655 CD ARG A 50 -16.016 2.872 12.365 1.00 0.00 C ATOM 656 NE ARG A 50 -16.822 1.748 12.828 1.00 0.00 N ATOM 657 CZ ARG A 50 -17.944 1.877 13.530 1.00 0.00 C ATOM 658 NH1 ARG A 50 -18.388 3.085 13.867 1.00 0.00 N ATOM 659 NH2 ARG A 50 -18.617 0.798 13.904 1.00 0.00 N ATOM 0 H ARG A 50 -11.901 1.098 10.524 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.988 3.532 11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.852 1.043 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.297 1.022 12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.938 3.459 10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.917 2.022 10.411 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.313 3.161 13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.662 3.731 12.184 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.506 0.806 12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.867 3.916 13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.249 3.180 14.405 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.274 -0.129 13.653 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.478 0.895 14.443 1.00 0.00 H new ATOM 673 N LYS A 51 -12.413 1.323 13.820 1.00 0.00 N ATOM 674 CA LYS A 51 -12.314 1.187 15.264 1.00 0.00 C ATOM 675 C LYS A 51 -10.930 0.716 15.702 1.00 0.00 C ATOM 676 O LYS A 51 -10.572 0.809 16.876 1.00 0.00 O ATOM 677 CB LYS A 51 -13.394 0.236 15.742 1.00 0.00 C ATOM 678 CG LYS A 51 -14.784 0.733 15.383 1.00 0.00 C ATOM 679 CD LYS A 51 -15.233 1.882 16.245 1.00 0.00 C ATOM 680 CE LYS A 51 -15.289 1.482 17.685 1.00 0.00 C ATOM 681 NZ LYS A 51 -15.675 2.611 18.566 1.00 0.00 N ATOM 0 H LYS A 51 -12.342 0.444 13.307 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.461 2.167 15.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.234 -0.747 15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.319 0.115 16.823 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.796 1.043 14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.495 -0.088 15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.549 2.722 16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.216 2.223 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.004 0.668 17.807 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.315 1.100 17.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.701 2.287 19.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.980 3.379 18.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.615 2.960 18.291 1.00 0.00 H new ATOM 695 N ARG A 52 -10.158 0.214 14.752 1.00 0.00 N ATOM 696 CA ARG A 52 -8.830 -0.321 15.023 1.00 0.00 C ATOM 697 C ARG A 52 -7.752 0.767 14.889 1.00 0.00 C ATOM 698 O ARG A 52 -6.577 0.544 15.186 1.00 0.00 O ATOM 699 CB ARG A 52 -8.597 -1.496 14.061 1.00 0.00 C ATOM 700 CG ARG A 52 -7.190 -2.047 14.008 1.00 0.00 C ATOM 701 CD ARG A 52 -6.756 -2.536 15.373 1.00 0.00 C ATOM 702 NE ARG A 52 -7.435 -3.772 15.756 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.974 -4.612 16.681 1.00 0.00 C ATOM 704 NH1 ARG A 52 -5.840 -4.345 17.314 1.00 0.00 N ATOM 705 NH2 ARG A 52 -7.654 -5.707 16.987 1.00 0.00 N ATOM 0 H ARG A 52 -10.433 0.165 13.771 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.763 -0.676 16.052 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.272 -2.306 14.339 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.878 -1.178 13.057 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.141 -2.866 13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.505 -1.275 13.658 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.678 -2.700 15.373 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.961 -1.765 16.116 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.311 -4.004 15.289 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.320 -3.496 17.093 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.488 -4.989 18.022 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.534 -5.910 16.513 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.297 -6.348 17.696 1.00 0.00 H new ATOM 719 N ASP A 53 -8.189 1.958 14.492 1.00 0.00 N ATOM 720 CA ASP A 53 -7.319 3.095 14.276 1.00 0.00 C ATOM 721 C ASP A 53 -6.294 2.804 13.188 1.00 0.00 C ATOM 722 O ASP A 53 -6.462 1.908 12.362 1.00 0.00 O ATOM 723 CB ASP A 53 -6.684 3.496 15.599 1.00 0.00 C ATOM 724 CG ASP A 53 -5.924 4.815 15.571 1.00 0.00 C ATOM 725 OD1 ASP A 53 -6.570 5.878 15.675 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.681 4.801 15.441 1.00 0.00 O ATOM 0 H ASP A 53 -9.173 2.157 14.310 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.901 3.942 13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.466 3.560 16.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.001 2.706 15.912 1.00 0.00 H new ATOM 731 N SER A 54 -5.276 3.597 13.175 1.00 0.00 N ATOM 732 CA SER A 54 -4.244 3.540 12.166 1.00 0.00 C ATOM 733 C SER A 54 -3.461 2.234 12.197 1.00 0.00 C ATOM 734 O SER A 54 -2.583 2.011 13.035 1.00 0.00 O ATOM 735 CB SER A 54 -3.306 4.733 12.291 1.00 0.00 C ATOM 736 OG SER A 54 -2.779 4.845 13.603 1.00 0.00 O ATOM 0 H SER A 54 -5.125 4.322 13.876 1.00 0.00 H new ATOM 0 HA SER A 54 -4.746 3.582 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.489 4.631 11.577 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.842 5.647 12.034 1.00 0.00 H new ATOM 0 HG SER A 54 -3.488 5.128 14.217 1.00 0.00 H new ATOM 742 N VAL A 55 -3.832 1.376 11.279 1.00 0.00 N ATOM 743 CA VAL A 55 -3.033 0.230 10.904 1.00 0.00 C ATOM 744 C VAL A 55 -1.956 0.724 9.957 1.00 0.00 C ATOM 745 O VAL A 55 -2.066 1.832 9.438 1.00 0.00 O ATOM 746 CB VAL A 55 -3.872 -0.825 10.184 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.142 -2.126 10.103 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.198 -1.040 10.861 1.00 0.00 C ATOM 0 H VAL A 55 -4.709 1.453 10.763 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.614 -0.228 11.800 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.053 -0.449 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.761 -2.859 9.586 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.210 -1.987 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.921 -2.483 11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.765 -1.797 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.034 -1.374 11.885 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.758 -0.105 10.870 1.00 0.00 H new ATOM 758 N LYS A 56 -0.919 -0.051 9.720 1.00 0.00 N ATOM 759 CA LYS A 56 0.162 0.433 8.861 1.00 0.00 C ATOM 760 C LYS A 56 0.634 -0.653 7.896 1.00 0.00 C ATOM 761 O LYS A 56 0.619 -1.836 8.237 1.00 0.00 O ATOM 762 CB LYS A 56 1.403 0.898 9.633 1.00 0.00 C ATOM 763 CG LYS A 56 1.231 1.402 11.063 1.00 0.00 C ATOM 764 CD LYS A 56 0.198 2.489 11.274 1.00 0.00 C ATOM 765 CE LYS A 56 0.892 3.776 11.663 1.00 0.00 C ATOM 766 NZ LYS A 56 0.032 4.695 12.453 1.00 0.00 N ATOM 0 H LYS A 56 -0.794 -0.992 10.093 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.274 1.282 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.107 0.066 9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.872 1.695 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.968 0.554 11.695 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.194 1.774 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.381 2.637 10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.504 2.192 12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.785 3.538 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.225 4.288 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.198 5.533 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.846 4.206 12.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.537 4.990 13.313 1.00 0.00 H new ATOM 780 N TRP A 57 1.068 -0.246 6.703 1.00 0.00 N ATOM 781 CA TRP A 57 1.718 -1.165 5.774 1.00 0.00 C ATOM 782 C TRP A 57 3.020 -0.621 5.235 1.00 0.00 C ATOM 783 O TRP A 57 3.045 0.123 4.258 1.00 0.00 O ATOM 784 CB TRP A 57 0.800 -1.581 4.636 1.00 0.00 C ATOM 785 CG TRP A 57 -0.040 -2.728 5.066 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.263 -4.051 4.944 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.287 -2.661 5.746 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.741 -4.814 5.481 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.704 -3.981 5.982 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.096 -1.610 6.164 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.896 -4.271 6.626 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.273 -1.905 6.801 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.664 -3.221 7.029 1.00 0.00 C ATOM 0 H TRP A 57 0.981 0.711 6.360 1.00 0.00 H new ATOM 0 HA TRP A 57 1.951 -2.056 6.357 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.167 -0.744 4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.390 -1.857 3.762 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.162 -4.441 4.491 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.766 -5.833 5.503 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.803 -0.585 5.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.204 -5.291 6.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.911 -1.099 7.133 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.597 -3.414 7.537 1.00 0.00 H new ATOM 804 N HIS A 58 4.107 -0.998 5.886 1.00 0.00 N ATOM 805 CA HIS A 58 5.426 -0.625 5.426 1.00 0.00 C ATOM 806 C HIS A 58 5.705 -1.266 4.058 1.00 0.00 C ATOM 807 O HIS A 58 5.347 -2.411 3.799 1.00 0.00 O ATOM 808 CB HIS A 58 6.493 -1.015 6.454 1.00 0.00 C ATOM 809 CG HIS A 58 7.838 -0.441 6.145 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.717 -1.037 5.277 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.422 0.711 6.537 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.779 -0.268 5.129 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.632 0.796 5.890 1.00 0.00 N ATOM 0 H HIS A 58 4.098 -1.563 6.735 1.00 0.00 H new ATOM 0 HA HIS A 58 5.466 0.458 5.311 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.178 -0.678 7.442 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.569 -2.102 6.497 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.014 1.432 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.626 -0.476 4.491 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.304 1.557 5.984 1.00 0.00 H new ATOM 822 N TYR A 59 6.340 -0.483 3.201 1.00 0.00 N ATOM 823 CA TYR A 59 6.565 -0.802 1.793 1.00 0.00 C ATOM 824 C TYR A 59 7.388 -2.064 1.596 1.00 0.00 C ATOM 825 O TYR A 59 7.285 -2.731 0.571 1.00 0.00 O ATOM 826 CB TYR A 59 7.273 0.379 1.145 1.00 0.00 C ATOM 827 CG TYR A 59 6.346 1.460 0.684 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.239 1.789 1.429 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.561 2.121 -0.503 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.361 2.760 1.018 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.700 3.101 -0.930 1.00 0.00 C ATOM 832 CZ TYR A 59 4.601 3.421 -0.167 1.00 0.00 C ATOM 833 OH TYR A 59 3.751 4.404 -0.593 1.00 0.00 O ATOM 0 H TYR A 59 6.727 0.421 3.471 1.00 0.00 H new ATOM 0 HA TYR A 59 5.596 -0.988 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.982 0.801 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.851 0.021 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.056 1.271 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.419 1.865 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.494 3.003 1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.884 3.618 -1.860 1.00 0.00 H new ATOM 0 HH TYR A 59 3.838 5.187 -0.010 1.00 0.00 H new ATOM 843 N LEU A 60 8.182 -2.395 2.595 1.00 0.00 N ATOM 844 CA LEU A 60 9.009 -3.594 2.573 1.00 0.00 C ATOM 845 C LEU A 60 8.162 -4.804 2.907 1.00 0.00 C ATOM 846 O LEU A 60 8.660 -5.843 3.335 1.00 0.00 O ATOM 847 CB LEU A 60 10.181 -3.468 3.548 1.00 0.00 C ATOM 848 CG LEU A 60 11.526 -3.140 2.909 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.040 -4.309 2.080 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.405 -1.901 2.060 1.00 0.00 C ATOM 0 H LEU A 60 8.275 -1.842 3.447 1.00 0.00 H new ATOM 0 HA LEU A 60 9.423 -3.716 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.945 -2.693 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.277 -4.404 4.098 1.00 0.00 H new ATOM 0 HG LEU A 60 12.248 -2.954 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.000 -4.046 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.163 -5.183 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.325 -4.536 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.370 -1.674 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.667 -2.068 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.090 -1.063 2.682 1.00 0.00 H new ATOM 862 N CYS A 61 6.863 -4.634 2.782 1.00 0.00 N ATOM 863 CA CYS A 61 5.939 -5.697 3.063 1.00 0.00 C ATOM 864 C CYS A 61 4.961 -5.887 1.903 1.00 0.00 C ATOM 865 O CYS A 61 4.410 -6.971 1.727 1.00 0.00 O ATOM 866 CB CYS A 61 5.188 -5.392 4.357 1.00 0.00 C ATOM 867 SG CYS A 61 4.238 -6.781 5.011 1.00 0.00 S ATOM 0 H CYS A 61 6.427 -3.761 2.485 1.00 0.00 H new ATOM 0 HA CYS A 61 6.495 -6.626 3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.905 -5.070 5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.512 -4.555 4.182 1.00 0.00 H new ATOM 0 HG CYS A 61 3.641 -6.420 6.108 1.00 0.00 H new ATOM 873 N LEU A 62 4.772 -4.836 1.108 1.00 0.00 N ATOM 874 CA LEU A 62 3.821 -4.855 0.000 1.00 0.00 C ATOM 875 C LEU A 62 4.283 -5.764 -1.140 1.00 0.00 C ATOM 876 O LEU A 62 4.866 -5.290 -2.105 1.00 0.00 O ATOM 877 CB LEU A 62 3.649 -3.448 -0.575 1.00 0.00 C ATOM 878 CG LEU A 62 2.850 -2.413 0.236 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.784 -1.804 -0.643 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.198 -2.999 1.474 1.00 0.00 C ATOM 0 H LEU A 62 5.271 -3.952 1.213 1.00 0.00 H new ATOM 0 HA LEU A 62 2.882 -5.233 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.644 -3.037 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.171 -3.545 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 62 3.560 -1.658 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.216 -1.070 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.252 -1.315 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.113 -2.587 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.650 -2.218 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.509 -3.791 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.966 -3.409 2.130 1.00 0.00 H new ATOM 892 N ARG A 63 4.001 -7.056 -1.037 1.00 0.00 N ATOM 893 CA ARG A 63 4.297 -8.003 -2.110 1.00 0.00 C ATOM 894 C ARG A 63 3.637 -7.570 -3.412 1.00 0.00 C ATOM 895 O ARG A 63 4.325 -7.225 -4.372 1.00 0.00 O ATOM 896 CB ARG A 63 3.825 -9.415 -1.745 1.00 0.00 C ATOM 897 CG ARG A 63 4.787 -10.182 -0.857 1.00 0.00 C ATOM 898 CD ARG A 63 6.052 -10.523 -1.614 1.00 0.00 C ATOM 899 NE ARG A 63 6.948 -11.390 -0.858 1.00 0.00 N ATOM 900 CZ ARG A 63 7.994 -12.005 -1.402 1.00 0.00 C ATOM 901 NH1 ARG A 63 8.210 -11.906 -2.709 1.00 0.00 N ATOM 902 NH2 ARG A 63 8.800 -12.738 -0.652 1.00 0.00 N ATOM 0 H ARG A 63 3.565 -7.477 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 63 5.379 -8.016 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.861 -9.345 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.665 -9.981 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.032 -9.587 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.312 -11.096 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.788 -11.011 -2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.576 -9.602 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 63 6.764 -11.531 0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.575 -11.360 -3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.011 -12.376 -3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.620 -12.833 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.601 -13.208 -1.073 1.00 0.00 H new ATOM 916 N ARG A 64 2.307 -7.568 -3.440 1.00 0.00 N ATOM 917 CA ARG A 64 1.595 -7.188 -4.651 1.00 0.00 C ATOM 918 C ARG A 64 0.479 -6.196 -4.367 1.00 0.00 C ATOM 919 O ARG A 64 -0.466 -6.489 -3.664 1.00 0.00 O ATOM 920 CB ARG A 64 1.071 -8.422 -5.389 1.00 0.00 C ATOM 921 CG ARG A 64 -0.016 -9.229 -4.724 1.00 0.00 C ATOM 922 CD ARG A 64 -0.356 -10.425 -5.597 1.00 0.00 C ATOM 923 NE ARG A 64 0.835 -11.231 -5.878 1.00 0.00 N ATOM 924 CZ ARG A 64 0.906 -12.554 -5.733 1.00 0.00 C ATOM 925 NH1 ARG A 64 -0.168 -13.250 -5.386 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.053 -13.182 -5.960 1.00 0.00 N ATOM 0 H ARG A 64 1.711 -7.821 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 64 2.309 -6.684 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.701 -8.099 -6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.916 -9.086 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.313 -9.564 -3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.901 -8.612 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.106 -11.040 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.795 -10.082 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 64 1.669 -10.745 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.056 -12.773 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.106 -14.262 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.877 -12.652 -6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.111 -14.194 -5.850 1.00 0.00 H new ATOM 940 N TYR A 65 0.578 -5.041 -4.984 1.00 0.00 N ATOM 941 CA TYR A 65 -0.294 -3.924 -4.680 1.00 0.00 C ATOM 942 C TYR A 65 -0.946 -3.422 -5.941 1.00 0.00 C ATOM 943 O TYR A 65 -0.324 -3.406 -6.996 1.00 0.00 O ATOM 944 CB TYR A 65 0.493 -2.816 -3.978 1.00 0.00 C ATOM 945 CG TYR A 65 1.769 -2.419 -4.686 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.860 -3.275 -4.727 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.889 -1.187 -5.299 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.021 -2.913 -5.370 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.037 -0.820 -5.935 1.00 0.00 C ATOM 950 CZ TYR A 65 4.106 -1.684 -5.978 1.00 0.00 C ATOM 951 OH TYR A 65 5.263 -1.320 -6.637 1.00 0.00 O ATOM 0 H TYR A 65 1.265 -4.847 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.081 -4.255 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.145 -1.937 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.738 -3.144 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.797 -4.240 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.056 -0.500 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.861 -3.591 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.107 0.150 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 65 5.802 -0.742 -6.057 1.00 0.00 H new ATOM 961 N GLY A 66 -2.201 -3.029 -5.842 1.00 0.00 N ATOM 962 CA GLY A 66 -2.969 -2.810 -7.033 1.00 0.00 C ATOM 963 C GLY A 66 -4.020 -1.755 -6.927 1.00 0.00 C ATOM 964 O GLY A 66 -4.130 -1.030 -5.940 1.00 0.00 O ATOM 0 H GLY A 66 -2.694 -2.860 -4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.288 -2.542 -7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.446 -3.748 -7.316 1.00 0.00 H new ATOM 968 N TYR A 67 -4.833 -1.767 -7.952 1.00 0.00 N ATOM 969 CA TYR A 67 -5.875 -0.794 -8.183 1.00 0.00 C ATOM 970 C TYR A 67 -6.849 -1.373 -9.191 1.00 0.00 C ATOM 971 O TYR A 67 -6.450 -1.819 -10.268 1.00 0.00 O ATOM 972 CB TYR A 67 -5.286 0.507 -8.748 1.00 0.00 C ATOM 973 CG TYR A 67 -6.191 1.195 -9.751 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.474 1.576 -9.397 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.769 1.449 -11.048 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.317 2.184 -10.296 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.607 2.063 -11.960 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.882 2.426 -11.578 1.00 0.00 C ATOM 979 OH TYR A 67 -8.723 3.029 -12.482 1.00 0.00 O ATOM 0 H TYR A 67 -4.787 -2.482 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.375 -0.569 -7.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.082 1.192 -7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.330 0.287 -9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.820 1.391 -8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.772 1.163 -11.349 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.315 2.470 -9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.265 2.257 -12.966 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.796 3.984 -12.274 1.00 0.00 H new ATOM 989 N ASP A 68 -8.103 -1.395 -8.828 1.00 0.00 N ATOM 990 CA ASP A 68 -9.165 -1.577 -9.777 1.00 0.00 C ATOM 991 C ASP A 68 -10.281 -0.635 -9.376 1.00 0.00 C ATOM 992 O ASP A 68 -10.115 0.038 -8.373 1.00 0.00 O ATOM 993 CB ASP A 68 -9.595 -3.028 -9.875 1.00 0.00 C ATOM 994 CG ASP A 68 -10.577 -3.263 -11.029 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.794 -3.004 -10.885 1.00 0.00 O ATOM 996 OD2 ASP A 68 -10.124 -3.684 -12.112 1.00 0.00 O ATOM 0 H ASP A 68 -8.417 -1.287 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.836 -1.333 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.716 -3.657 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.060 -3.332 -8.937 1.00 0.00 H new ATOM 1001 N SER A 69 -11.318 -0.488 -10.198 1.00 0.00 N ATOM 1002 CA SER A 69 -12.446 0.388 -9.920 1.00 0.00 C ATOM 1003 C SER A 69 -12.689 0.582 -8.415 1.00 0.00 C ATOM 1004 O SER A 69 -13.279 -0.274 -7.754 1.00 0.00 O ATOM 1005 CB SER A 69 -13.702 -0.165 -10.594 1.00 0.00 C ATOM 1006 OG SER A 69 -14.791 0.734 -10.474 1.00 0.00 O ATOM 0 H SER A 69 -11.396 -0.982 -11.087 1.00 0.00 H new ATOM 0 HA SER A 69 -12.206 1.370 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.498 -0.354 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.967 -1.122 -10.144 1.00 0.00 H new ATOM 0 HG SER A 69 -15.579 0.354 -10.916 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.201 1.722 -7.904 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.227 2.076 -6.472 1.00 0.00 C ATOM 1014 C ASN A 70 -11.844 0.918 -5.541 1.00 0.00 C ATOM 1015 O ASN A 70 -12.380 0.781 -4.452 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.559 2.681 -6.040 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.760 1.772 -6.215 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.089 0.976 -5.339 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.441 1.909 -7.337 1.00 0.00 N ATOM 0 H ASN A 70 -11.768 2.440 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.455 2.838 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.488 2.967 -4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.728 3.595 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.273 1.342 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.135 2.581 -8.040 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.890 0.118 -5.961 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.346 -0.946 -5.136 1.00 0.00 C ATOM 1028 C LEU A 71 -8.807 -0.865 -5.187 1.00 0.00 C ATOM 1029 O LEU A 71 -8.218 -1.134 -6.227 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.807 -2.312 -5.700 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.674 -3.220 -4.798 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.389 -4.706 -4.993 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.526 -2.889 -3.334 1.00 0.00 C ATOM 0 H LEU A 71 -10.466 0.184 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.693 -0.843 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.366 -2.122 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.916 -2.874 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.698 -3.018 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.030 -5.289 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.589 -4.982 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.344 -4.910 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.156 -3.556 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.485 -3.015 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.830 -1.856 -3.162 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.152 -0.502 -4.089 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.687 -0.506 -4.042 1.00 0.00 C ATOM 1047 C PHE A 72 -6.243 -1.645 -3.150 1.00 0.00 C ATOM 1048 O PHE A 72 -6.819 -1.867 -2.093 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.102 0.845 -3.559 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.071 0.752 -2.467 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.459 0.762 -1.146 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.710 0.668 -2.753 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.517 0.692 -0.150 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.785 0.601 -1.760 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.183 0.615 -0.470 1.00 0.00 C ATOM 0 H PHE A 72 -8.604 -0.203 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.305 -0.648 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.656 1.354 -4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.922 1.471 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.507 0.825 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.384 0.656 -3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.824 0.697 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.734 0.537 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.446 0.565 0.318 1.00 0.00 H new ATOM 1065 N SER A 73 -5.243 -2.378 -3.567 1.00 0.00 N ATOM 1066 CA SER A 73 -4.848 -3.561 -2.835 1.00 0.00 C ATOM 1067 C SER A 73 -3.350 -3.599 -2.586 1.00 0.00 C ATOM 1068 O SER A 73 -2.593 -2.853 -3.201 1.00 0.00 O ATOM 1069 CB SER A 73 -5.286 -4.796 -3.607 1.00 0.00 C ATOM 1070 OG SER A 73 -4.824 -5.989 -3.002 1.00 0.00 O ATOM 0 H SER A 73 -4.690 -2.182 -4.401 1.00 0.00 H new ATOM 0 HA SER A 73 -5.335 -3.539 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.374 -4.818 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.910 -4.738 -4.628 1.00 0.00 H new ATOM 0 HG SER A 73 -5.180 -6.053 -2.091 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.948 -4.449 -1.653 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.556 -4.805 -1.462 1.00 0.00 C ATOM 1078 C PHE A 74 -1.458 -6.149 -0.728 1.00 0.00 C ATOM 1079 O PHE A 74 -2.198 -6.413 0.219 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.775 -3.703 -0.744 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.389 -3.159 0.506 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.672 -3.991 1.569 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.647 -1.800 0.632 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.207 -3.495 2.727 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.174 -1.300 1.802 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.454 -2.147 2.845 1.00 0.00 C ATOM 0 H PHE A 74 -3.585 -4.912 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.092 -4.913 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.214 -4.090 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.630 -2.877 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.469 -5.048 1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.434 -1.133 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.435 -4.161 3.546 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.367 -0.242 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.870 -1.754 3.761 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.599 -7.023 -1.224 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.337 -8.294 -0.581 1.00 0.00 C ATOM 1098 C GLU A 75 0.791 -8.128 0.394 1.00 0.00 C ATOM 1099 O GLU A 75 1.940 -8.103 -0.002 1.00 0.00 O ATOM 1100 CB GLU A 75 0.031 -9.369 -1.597 1.00 0.00 C ATOM 1101 CG GLU A 75 0.230 -10.751 -0.988 1.00 0.00 C ATOM 1102 CD GLU A 75 0.456 -11.826 -2.033 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.598 -11.961 -2.524 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.503 -12.558 -2.357 1.00 0.00 O ATOM 0 H GLU A 75 -0.067 -6.870 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.244 -8.610 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.753 -9.425 -2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.947 -9.073 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.083 -10.725 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.644 -11.009 -0.391 1.00 0.00 H new ATOM 1111 N SER A 76 0.498 -7.994 1.660 1.00 0.00 N ATOM 1112 CA SER A 76 1.567 -7.821 2.602 1.00 0.00 C ATOM 1113 C SER A 76 2.152 -9.193 2.942 1.00 0.00 C ATOM 1114 O SER A 76 1.438 -10.102 3.367 1.00 0.00 O ATOM 1115 CB SER A 76 1.052 -7.069 3.830 1.00 0.00 C ATOM 1116 OG SER A 76 0.052 -7.810 4.513 1.00 0.00 O ATOM 0 H SER A 76 -0.443 -8.001 2.053 1.00 0.00 H new ATOM 0 HA SER A 76 2.370 -7.217 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.881 -6.865 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.646 -6.105 3.524 1.00 0.00 H new ATOM 0 HG SER A 76 0.140 -8.760 4.290 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.084 -10.499 1.037 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.759 -9.589 0.120 1.00 0.00 C ATOM 1252 C ILE A 86 -4.896 -8.889 0.842 1.00 0.00 C ATOM 1253 O ILE A 86 -5.965 -9.465 1.058 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.308 -10.282 -1.139 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.141 -10.765 -1.995 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.184 -9.318 -1.918 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.278 -10.517 -3.482 1.00 0.00 C ATOM 0 HA ILE A 86 -3.009 -8.873 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.916 -11.140 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.231 -10.278 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.013 -11.835 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.570 -9.815 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.017 -8.996 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.596 -8.449 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.396 -10.898 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.165 -11.028 -3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.371 -9.447 -3.665 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.645 -7.663 1.245 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.652 -6.866 1.901 1.00 0.00 C ATOM 1271 C PHE A 87 -5.987 -5.694 1.010 1.00 0.00 C ATOM 1272 O PHE A 87 -5.216 -4.747 0.873 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.146 -6.412 3.277 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.189 -5.835 4.207 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.548 -6.055 4.021 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.788 -5.076 5.292 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.477 -5.521 4.903 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.709 -4.545 6.174 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.050 -4.765 5.983 1.00 0.00 C ATOM 0 H PHE A 87 -3.746 -7.196 1.128 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.558 -7.449 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.679 -7.265 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.367 -5.664 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.885 -6.647 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.735 -4.895 5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.532 -5.694 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.373 -3.956 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.770 -4.350 6.672 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.125 -5.803 0.361 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.558 -4.801 -0.573 1.00 0.00 C ATOM 1291 C ALA A 88 -8.567 -3.871 0.085 1.00 0.00 C ATOM 1292 O ALA A 88 -9.369 -4.289 0.923 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.135 -5.461 -1.803 1.00 0.00 C ATOM 0 H ALA A 88 -7.770 -6.586 0.468 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.703 -4.199 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.461 -4.696 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.374 -6.085 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.986 -6.079 -1.519 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.510 -2.609 -0.279 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.413 -1.621 0.260 1.00 0.00 C ATOM 1301 C PHE A 89 -10.111 -0.948 -0.875 1.00 0.00 C ATOM 1302 O PHE A 89 -9.493 -0.587 -1.868 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.693 -0.564 1.084 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.638 -1.135 1.944 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.397 -1.303 1.428 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.886 -1.517 3.240 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.395 -1.848 2.172 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.887 -2.064 4.010 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.634 -2.234 3.471 1.00 0.00 C ATOM 0 H PHE A 89 -7.839 -2.242 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.115 -2.133 0.918 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.251 0.174 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.417 -0.037 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.199 -1.000 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.874 -1.387 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.413 -1.977 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.085 -2.358 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.842 -2.668 4.063 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.383 -0.776 -0.724 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.170 -0.130 -1.721 1.00 0.00 C ATOM 1321 C LYS A 90 -11.890 1.363 -1.652 1.00 0.00 C ATOM 1322 O LYS A 90 -12.585 2.119 -0.980 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.621 -0.443 -1.450 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.495 -0.631 -2.658 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.723 -1.431 -2.308 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.401 -0.876 -1.077 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.280 0.284 -1.398 1.00 0.00 N ATOM 0 H LYS A 90 -11.907 -1.080 0.097 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.926 -0.478 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.669 -1.350 -0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.039 0.363 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.789 0.341 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.935 -1.140 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.419 -1.420 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.447 -2.471 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.993 -1.660 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.645 -0.569 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.790 0.580 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.699 1.074 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.965 0.008 -2.131 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.830 1.757 -2.327 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.366 3.130 -2.307 1.00 0.00 C ATOM 1343 C CYS A 91 -10.800 3.799 -3.595 1.00 0.00 C ATOM 1344 O CYS A 91 -10.425 3.352 -4.668 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.840 3.199 -2.204 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.202 4.890 -2.222 1.00 0.00 S ATOM 0 H CYS A 91 -10.265 1.135 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.791 3.632 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.522 2.707 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.401 2.643 -3.032 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.850 5.607 -1.353 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.585 4.856 -3.513 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.026 5.535 -4.720 1.00 0.00 C ATOM 1354 C ALA A 92 -10.840 6.142 -5.455 1.00 0.00 C ATOM 1355 O ALA A 92 -10.803 6.160 -6.685 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.075 6.579 -4.417 1.00 0.00 C ATOM 0 H ALA A 92 -11.927 5.259 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.488 4.794 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.381 7.066 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.939 6.103 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.662 7.322 -3.735 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.857 6.620 -4.700 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.576 7.002 -5.282 1.00 0.00 C ATOM 1364 C ARG A 93 -7.649 5.806 -5.307 1.00 0.00 C ATOM 1365 O ARG A 93 -6.472 5.954 -5.075 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.886 8.145 -4.514 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.191 9.552 -5.018 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.683 9.825 -5.185 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.230 9.274 -6.425 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.496 9.442 -6.819 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.319 10.222 -6.130 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.938 8.841 -7.913 1.00 0.00 N ATOM 0 H ARG A 93 -9.922 6.752 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.784 7.357 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.177 8.082 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.808 7.989 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.772 10.278 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.692 9.703 -5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.221 9.401 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.854 10.901 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.609 8.730 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.987 10.699 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.284 10.344 -6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.312 8.248 -8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.905 8.971 -8.211 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.187 4.615 -5.540 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.367 3.409 -5.666 1.00 0.00 C ATOM 1388 C ALA A 94 -6.257 3.637 -6.655 1.00 0.00 C ATOM 1389 O ALA A 94 -5.095 3.430 -6.363 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.190 2.251 -6.178 1.00 0.00 C ATOM 0 H ALA A 94 -9.189 4.455 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.968 3.182 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.559 1.366 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.006 2.049 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.600 2.500 -7.157 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.672 4.023 -7.847 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.757 4.385 -8.931 1.00 0.00 C ATOM 1398 C GLU A 95 -4.665 5.304 -8.427 1.00 0.00 C ATOM 1399 O GLU A 95 -3.480 4.981 -8.481 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.527 5.076 -10.058 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.809 5.754 -9.598 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.505 6.515 -10.704 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -8.845 5.901 -11.737 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.756 7.725 -10.529 1.00 0.00 O ATOM 0 H GLU A 95 -7.658 4.097 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.299 3.471 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.881 5.819 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.771 4.340 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.489 5.001 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.579 6.439 -8.782 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.102 6.438 -7.929 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.235 7.445 -7.353 1.00 0.00 C ATOM 1413 C GLU A 96 -3.361 6.860 -6.251 1.00 0.00 C ATOM 1414 O GLU A 96 -2.150 7.050 -6.243 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.115 8.544 -6.781 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.372 9.791 -6.388 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.566 10.374 -7.527 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.156 11.093 -8.362 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.353 10.107 -7.606 1.00 0.00 O ATOM 0 H GLU A 96 -6.089 6.693 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.572 7.836 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.875 8.805 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.638 8.156 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.084 10.536 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.706 9.565 -5.555 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.993 6.155 -5.330 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.329 5.577 -4.197 1.00 0.00 C ATOM 1428 C LEU A 97 -2.311 4.549 -4.633 1.00 0.00 C ATOM 1429 O LEU A 97 -1.126 4.694 -4.371 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.365 4.936 -3.293 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.974 4.933 -1.838 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.182 4.942 -0.978 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.205 3.689 -1.536 1.00 0.00 C ATOM 0 H LEU A 97 -4.996 5.971 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.800 6.362 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.311 5.465 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.534 3.909 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.373 5.820 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.883 4.940 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.770 5.836 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.783 4.057 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.920 3.684 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.824 2.818 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.308 3.656 -2.155 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.779 3.516 -5.301 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.905 2.486 -5.805 1.00 0.00 C ATOM 1447 C PHE A 98 -0.729 3.123 -6.540 1.00 0.00 C ATOM 1448 O PHE A 98 0.417 2.828 -6.238 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.677 1.532 -6.725 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.791 0.780 -7.654 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.815 -0.024 -7.137 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.891 0.921 -9.029 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.067 -0.672 -7.950 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -1.019 0.251 -9.861 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.030 -0.541 -9.314 1.00 0.00 C ATOM 0 H PHE A 98 -3.767 3.370 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.518 1.904 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.240 0.825 -6.116 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.403 2.102 -7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.741 -0.148 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.655 1.558 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.843 -1.289 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.109 0.345 -10.933 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.667 -1.057 -9.958 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.037 4.016 -7.476 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.021 4.796 -8.202 1.00 0.00 C ATOM 1467 C ASN A 99 0.939 5.451 -7.256 1.00 0.00 C ATOM 1468 O ASN A 99 2.119 5.141 -7.284 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.668 5.888 -9.055 1.00 0.00 C ATOM 1470 CG ASN A 99 0.244 6.344 -10.173 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.051 5.569 -10.676 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.122 7.599 -10.578 1.00 0.00 N ATOM 0 H ASN A 99 -1.995 4.224 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 99 0.513 4.094 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.601 5.514 -9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.922 6.739 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.711 7.951 -11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.561 8.214 -10.135 1.00 0.00 H new ATOM 1479 N MET A 100 0.423 6.344 -6.432 1.00 0.00 N ATOM 1480 CA MET A 100 1.215 7.040 -5.437 1.00 0.00 C ATOM 1481 C MET A 100 2.160 6.074 -4.781 1.00 0.00 C ATOM 1482 O MET A 100 3.366 6.254 -4.805 1.00 0.00 O ATOM 1483 CB MET A 100 0.304 7.596 -4.390 1.00 0.00 C ATOM 1484 CG MET A 100 0.831 8.846 -3.759 1.00 0.00 C ATOM 1485 SD MET A 100 0.319 10.289 -4.671 1.00 0.00 S ATOM 1486 CE MET A 100 -1.425 10.153 -4.311 1.00 0.00 C ATOM 0 H MET A 100 -0.562 6.608 -6.435 1.00 0.00 H new ATOM 0 HA MET A 100 1.777 7.841 -5.918 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.669 7.803 -4.836 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.147 6.844 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.475 8.916 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.919 8.805 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.912 11.109 -4.504 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.869 9.385 -4.945 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.560 9.882 -3.264 1.00 0.00 H new ATOM 1496 N LEU A 101 1.570 5.045 -4.216 1.00 0.00 N ATOM 1497 CA LEU A 101 2.296 3.925 -3.651 1.00 0.00 C ATOM 1498 C LEU A 101 3.407 3.423 -4.581 1.00 0.00 C ATOM 1499 O LEU A 101 4.568 3.443 -4.190 1.00 0.00 O ATOM 1500 CB LEU A 101 1.291 2.818 -3.335 1.00 0.00 C ATOM 1501 CG LEU A 101 1.845 1.425 -3.103 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.869 1.418 -1.997 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.703 0.491 -2.779 1.00 0.00 C ATOM 0 H LEU A 101 0.557 4.959 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 101 2.798 4.247 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.733 3.112 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.577 2.765 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 101 2.349 1.089 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.246 0.405 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.695 2.079 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.408 1.765 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.091 -0.514 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.193 0.838 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.000 0.473 -3.612 1.00 0.00 H new ATOM 1515 N GLN A 102 3.073 2.994 -5.807 1.00 0.00 N ATOM 1516 CA GLN A 102 4.103 2.475 -6.713 1.00 0.00 C ATOM 1517 C GLN A 102 5.177 3.538 -6.971 1.00 0.00 C ATOM 1518 O GLN A 102 6.361 3.226 -7.069 1.00 0.00 O ATOM 1519 CB GLN A 102 3.571 1.983 -8.068 1.00 0.00 C ATOM 1520 CG GLN A 102 2.106 1.951 -8.260 1.00 0.00 C ATOM 1521 CD GLN A 102 1.778 2.069 -9.742 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.610 2.582 -10.071 1.00 0.00 O flip ATOM 1523 NE2 GLN A 102 2.576 1.665 -10.591 1.00 0.00 N flip ATOM 0 H GLN A 102 2.125 2.995 -6.185 1.00 0.00 H new ATOM 0 HA GLN A 102 4.518 1.609 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.997 2.616 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.953 0.975 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.698 1.023 -7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.640 2.768 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.472 1.273 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.340 1.723 -11.582 1.00 0.00 H new ATOM 1532 N GLU A 103 4.750 4.795 -7.071 1.00 0.00 N ATOM 1533 CA GLU A 103 5.660 5.917 -7.297 1.00 0.00 C ATOM 1534 C GLU A 103 6.546 6.134 -6.090 1.00 0.00 C ATOM 1535 O GLU A 103 7.757 6.277 -6.220 1.00 0.00 O ATOM 1536 CB GLU A 103 4.884 7.200 -7.553 1.00 0.00 C ATOM 1537 CG GLU A 103 3.774 7.059 -8.569 1.00 0.00 C ATOM 1538 CD GLU A 103 4.280 6.893 -9.989 1.00 0.00 C ATOM 1539 OE1 GLU A 103 4.601 5.757 -10.389 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.357 7.903 -10.719 1.00 0.00 O ATOM 0 H GLU A 103 3.769 5.064 -6.998 1.00 0.00 H new ATOM 0 HA GLU A 103 6.268 5.673 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.458 7.548 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.577 7.969 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.158 6.199 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.132 7.938 -8.520 1.00 0.00 H new ATOM 1547 N ILE A 104 5.932 6.188 -4.916 1.00 0.00 N ATOM 1548 CA ILE A 104 6.674 6.306 -3.683 1.00 0.00 C ATOM 1549 C ILE A 104 7.663 5.154 -3.590 1.00 0.00 C ATOM 1550 O ILE A 104 8.823 5.344 -3.225 1.00 0.00 O ATOM 1551 CB ILE A 104 5.758 6.317 -2.439 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.978 7.626 -2.332 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.598 6.136 -1.204 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.504 7.444 -2.079 1.00 0.00 C ATOM 0 H ILE A 104 4.919 6.151 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 104 7.198 7.261 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 104 5.042 5.501 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.403 8.225 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.110 8.192 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.956 6.143 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.127 5.185 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.320 6.949 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.022 8.420 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.062 6.873 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.359 6.907 -1.142 1.00 0.00 H new ATOM 1566 N MET A 105 7.199 3.970 -3.971 1.00 0.00 N ATOM 1567 CA MET A 105 8.046 2.793 -4.038 1.00 0.00 C ATOM 1568 C MET A 105 9.245 3.037 -4.949 1.00 0.00 C ATOM 1569 O MET A 105 10.390 2.770 -4.583 1.00 0.00 O ATOM 1570 CB MET A 105 7.263 1.591 -4.548 1.00 0.00 C ATOM 1571 CG MET A 105 6.247 1.062 -3.559 1.00 0.00 C ATOM 1572 SD MET A 105 6.012 -0.706 -3.722 1.00 0.00 S ATOM 1573 CE MET A 105 5.121 -1.030 -2.223 1.00 0.00 C ATOM 0 H MET A 105 6.230 3.802 -4.240 1.00 0.00 H new ATOM 0 HA MET A 105 8.401 2.586 -3.028 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.750 1.867 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.962 0.793 -4.799 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.574 1.293 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.295 1.570 -3.710 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.722 -1.666 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.909 -0.089 -1.715 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.184 -1.535 -2.459 1.00 0.00 H new ATOM 1583 N GLN A 106 8.958 3.560 -6.138 1.00 0.00 N ATOM 1584 CA GLN A 106 9.975 3.850 -7.140 1.00 0.00 C ATOM 1585 C GLN A 106 10.993 4.869 -6.649 1.00 0.00 C ATOM 1586 O GLN A 106 12.196 4.730 -6.873 1.00 0.00 O ATOM 1587 CB GLN A 106 9.323 4.396 -8.396 1.00 0.00 C ATOM 1588 CG GLN A 106 8.581 3.361 -9.189 1.00 0.00 C ATOM 1589 CD GLN A 106 9.497 2.288 -9.707 1.00 0.00 C ATOM 1590 OE1 GLN A 106 9.665 1.251 -8.924 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 10.055 2.395 -10.798 1.00 0.00 N flip ATOM 0 H GLN A 106 8.010 3.795 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 106 10.493 2.913 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.633 5.193 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.090 4.844 -9.028 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.810 2.910 -8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.073 3.840 -10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.894 3.221 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.679 1.658 -11.126 1.00 0.00 H new ATOM 1600 N ASN A 107 10.488 5.885 -5.967 1.00 0.00 N ATOM 1601 CA ASN A 107 11.243 7.104 -5.728 1.00 0.00 C ATOM 1602 C ASN A 107 11.867 7.187 -4.334 1.00 0.00 C ATOM 1603 O ASN A 107 12.853 7.899 -4.148 1.00 0.00 O ATOM 1604 CB ASN A 107 10.335 8.309 -5.954 1.00 0.00 C ATOM 1605 CG ASN A 107 10.049 8.576 -7.422 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.807 9.271 -8.097 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.943 8.039 -7.919 1.00 0.00 N ATOM 0 H ASN A 107 9.550 5.888 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 107 12.075 7.098 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.393 8.149 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.798 9.192 -5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.694 8.196 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.341 7.469 -7.325 1.00 0.00 H new ATOM 1614 N ASN A 108 11.311 6.478 -3.357 1.00 0.00 N ATOM 1615 CA ASN A 108 11.791 6.612 -1.982 1.00 0.00 C ATOM 1616 C ASN A 108 12.781 5.530 -1.638 1.00 0.00 C ATOM 1617 O ASN A 108 13.596 5.701 -0.731 1.00 0.00 O ATOM 1618 CB ASN A 108 10.646 6.619 -0.959 1.00 0.00 C ATOM 1619 CG ASN A 108 9.882 7.931 -0.985 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.905 8.032 -1.866 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.186 8.857 -0.235 1.00 0.00 N flip ATOM 0 H ASN A 108 10.544 5.818 -3.484 1.00 0.00 H new ATOM 0 HA ASN A 108 12.291 7.579 -1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 108 9.964 5.796 -1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.049 6.451 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.947 8.743 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.677 9.739 -0.282 1.00 0.00 H new ATOM 1628 N SER A 109 12.689 4.413 -2.356 1.00 0.00 N ATOM 1629 CA SER A 109 13.536 3.234 -2.113 1.00 0.00 C ATOM 1630 C SER A 109 13.146 2.565 -0.790 1.00 0.00 C ATOM 1631 O SER A 109 13.254 1.347 -0.642 1.00 0.00 O ATOM 1632 CB SER A 109 15.017 3.620 -2.116 1.00 0.00 C ATOM 1633 OG SER A 109 15.324 4.423 -3.247 1.00 0.00 O ATOM 0 H SER A 109 12.028 4.294 -3.123 1.00 0.00 H new ATOM 0 HA SER A 109 13.376 2.519 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.258 4.163 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.632 2.720 -2.125 1.00 0.00 H new ATOM 0 HG SER A 109 16.274 4.661 -3.231 1.00 0.00 H new ATOM 1639 N ILE A 110 12.676 3.379 0.149 1.00 0.00 N ATOM 1640 CA ILE A 110 12.046 2.914 1.362 1.00 0.00 C ATOM 1641 C ILE A 110 13.042 2.327 2.353 1.00 0.00 C ATOM 1642 O ILE A 110 13.393 1.141 2.307 1.00 0.00 O ATOM 1643 CB ILE A 110 10.896 1.942 1.075 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.730 2.684 0.438 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.443 1.283 2.343 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.943 3.143 -0.982 1.00 0.00 C ATOM 0 H ILE A 110 12.727 4.395 0.080 1.00 0.00 H new ATOM 0 HA ILE A 110 11.616 3.795 1.838 1.00 0.00 H new ATOM 0 HB ILE A 110 11.253 1.177 0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.854 2.036 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.500 3.555 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.626 0.596 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.274 0.731 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.100 2.043 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.050 3.659 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.794 3.823 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.139 2.280 -1.618 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.113 -10.279 -9.635 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.356 -9.574 -9.452 1.00 0.00 C ATOM 1886 C ALA B 496 -6.069 -10.159 -8.267 1.00 0.00 C ATOM 1887 O ALA B 496 -6.356 -11.357 -8.219 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.224 -9.575 -10.684 1.00 0.00 C ATOM 0 HA ALA B 496 -5.132 -8.524 -9.266 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.145 -9.028 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.691 -9.096 -11.505 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.465 -10.602 -10.958 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.248 -9.320 -7.278 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.990 -9.690 -6.089 1.00 0.00 C ATOM 1896 C VAL B 497 -8.450 -9.483 -6.374 1.00 0.00 C ATOM 1897 O VAL B 497 -8.901 -8.372 -6.615 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.536 -8.873 -4.828 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.322 -8.055 -5.151 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.636 -7.964 -4.284 1.00 0.00 C ATOM 0 H VAL B 497 -5.888 -8.366 -7.269 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.794 -10.736 -5.852 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.302 -9.601 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.017 -7.493 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.511 -8.714 -5.460 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.555 -7.362 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.264 -7.424 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.932 -7.251 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.498 -8.567 -3.997 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.209 -10.537 -6.437 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.568 -10.330 -6.813 1.00 0.00 C ATOM 1912 C ILE B 498 -11.378 -10.214 -5.563 1.00 0.00 C ATOM 1913 O ILE B 498 -12.004 -11.176 -5.117 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.188 -11.379 -7.757 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.321 -11.741 -8.982 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.530 -10.855 -8.251 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -9.015 -11.027 -9.113 1.00 0.00 C ATOM 0 H ILE B 498 -8.928 -11.498 -6.244 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.579 -9.417 -7.409 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.284 -12.294 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.122 -12.812 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.906 -11.549 -9.882 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.982 -11.587 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.190 -10.686 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.380 -9.917 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.502 -11.369 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.192 -9.954 -9.183 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.397 -11.237 -8.240 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.350 -9.032 -4.976 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.988 -8.856 -3.708 1.00 0.00 C ATOM 1931 C ILE B 499 -13.462 -8.577 -3.955 1.00 0.00 C ATOM 1932 O ILE B 499 -13.883 -7.432 -4.137 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.284 -7.759 -2.851 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.070 -8.332 -2.101 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.241 -7.107 -1.873 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.133 -9.821 -1.837 1.00 0.00 C ATOM 0 H ILE B 499 -10.898 -8.201 -5.357 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.902 -9.765 -3.113 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.936 -6.993 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.170 -8.117 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.970 -7.812 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.711 -6.349 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.059 -6.640 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.642 -7.863 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.235 -10.134 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -11.011 -10.046 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.198 -10.356 -2.784 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.214 -9.680 -4.001 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.646 -9.657 -4.232 1.00 0.00 C ATOM 1950 C GLY B 500 -16.081 -8.692 -5.309 1.00 0.00 C ATOM 1951 O GLY B 500 -16.085 -9.022 -6.498 1.00 0.00 O ATOM 0 H GLY B 500 -13.835 -10.619 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.976 -10.660 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.149 -9.397 -3.301 1.00 0.00 H new ATOM 1955 N MET B 501 -16.450 -7.499 -4.860 1.00 0.00 N ATOM 1956 CA MET B 501 -16.913 -6.426 -5.700 1.00 0.00 C ATOM 1957 C MET B 501 -15.999 -6.193 -6.902 1.00 0.00 C ATOM 1958 O MET B 501 -16.485 -6.004 -8.015 1.00 0.00 O ATOM 1959 CB MET B 501 -17.016 -5.172 -4.830 1.00 0.00 C ATOM 1960 CG MET B 501 -17.874 -4.085 -5.417 1.00 0.00 C ATOM 1961 SD MET B 501 -17.040 -3.120 -6.692 1.00 0.00 S ATOM 1962 CE MET B 501 -15.713 -2.370 -5.746 1.00 0.00 C ATOM 0 H MET B 501 -16.431 -7.254 -3.870 1.00 0.00 H new ATOM 0 HA MET B 501 -17.886 -6.685 -6.117 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.418 -5.451 -3.856 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.014 -4.777 -4.660 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.773 -4.532 -5.841 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.196 -3.416 -4.619 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.828 -2.272 -6.375 1.00 0.00 H new ATOM 0 HE2 MET B 501 -16.024 -1.384 -5.402 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.480 -2.998 -4.886 1.00 0.00 H new ATOM 1972 N THR B 502 -14.683 -6.221 -6.699 1.00 0.00 N ATOM 1973 CA THR B 502 -13.775 -5.887 -7.790 1.00 0.00 C ATOM 1974 C THR B 502 -12.482 -6.702 -7.801 1.00 0.00 C ATOM 1975 O THR B 502 -11.936 -7.058 -6.759 1.00 0.00 O ATOM 1976 CB THR B 502 -13.471 -4.374 -7.765 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.428 -3.657 -8.555 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.092 -4.059 -8.268 1.00 0.00 C ATOM 0 H THR B 502 -14.233 -6.464 -5.816 1.00 0.00 H new ATOM 0 HA THR B 502 -14.288 -6.153 -8.714 1.00 0.00 H new ATOM 0 HB THR B 502 -13.533 -4.062 -6.722 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.269 -3.579 -8.059 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.928 -2.982 -8.230 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.353 -4.561 -7.643 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.992 -4.405 -9.297 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.026 -7.014 -9.015 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.746 -7.646 -9.227 1.00 0.00 C ATOM 1988 C LYS B 503 -9.625 -6.630 -9.353 1.00 0.00 C ATOM 1989 O LYS B 503 -9.613 -5.831 -10.275 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.811 -8.526 -10.469 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.516 -8.585 -11.260 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.437 -9.820 -12.138 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.789 -10.183 -12.731 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.270 -9.160 -13.698 1.00 0.00 N ATOM 0 H LYS B 503 -12.544 -6.830 -9.874 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.524 -8.261 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.087 -9.537 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.604 -8.158 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.431 -7.693 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.671 -8.576 -10.572 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.722 -9.648 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.061 -10.658 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.717 -11.149 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.518 -10.294 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.215 -8.832 -13.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.612 -8.355 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.319 -9.578 -14.649 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.669 -6.693 -8.438 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.591 -5.739 -8.382 1.00 0.00 C ATOM 2010 C ILE B 504 -6.338 -6.256 -9.027 1.00 0.00 C ATOM 2011 O ILE B 504 -5.605 -7.035 -8.435 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.228 -5.375 -6.953 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.462 -4.941 -6.213 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.223 -4.258 -6.965 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.152 -4.181 -4.959 1.00 0.00 C ATOM 0 H ILE B 504 -8.626 -7.412 -7.716 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.961 -4.866 -8.920 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.799 -6.243 -6.453 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.072 -4.319 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.057 -5.819 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.960 -3.994 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.328 -4.579 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.651 -3.389 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.082 -3.894 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.566 -4.809 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.582 -3.286 -5.208 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.043 -5.772 -10.210 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.847 -6.148 -10.918 1.00 0.00 C ATOM 2029 C PRO B 505 -3.654 -5.440 -10.297 1.00 0.00 C ATOM 2030 O PRO B 505 -3.417 -4.249 -10.527 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.153 -5.687 -12.337 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.036 -4.504 -12.166 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.822 -4.762 -10.920 1.00 0.00 C ATOM 0 HA PRO B 505 -4.593 -7.208 -10.886 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.241 -5.426 -12.874 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.648 -6.471 -12.910 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.451 -3.588 -12.077 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.695 -4.380 -13.026 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.935 -3.855 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.825 -5.121 -11.149 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.972 -6.156 -9.418 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.872 -5.586 -8.664 1.00 0.00 C ATOM 2043 C VAL B 506 -0.526 -5.760 -9.368 1.00 0.00 C ATOM 2044 O VAL B 506 -0.422 -6.395 -10.421 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.783 -6.238 -7.276 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.086 -6.102 -6.504 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.431 -7.686 -7.421 1.00 0.00 C ATOM 0 H VAL B 506 -3.163 -7.136 -9.210 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.078 -4.519 -8.576 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.006 -5.720 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -2.982 -6.576 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.322 -5.046 -6.371 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.890 -6.586 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.369 -8.146 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.199 -8.190 -8.008 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.469 -7.778 -7.926 1.00 0.00 H new ATOM 2057 N ILE B 507 0.494 -5.173 -8.760 1.00 0.00 N ATOM 2058 CA ILE B 507 1.866 -5.236 -9.239 1.00 0.00 C ATOM 2059 C ILE B 507 2.782 -5.537 -8.059 1.00 0.00 C ATOM 2060 O ILE B 507 2.359 -5.405 -6.914 1.00 0.00 O ATOM 2061 CB ILE B 507 2.279 -3.907 -9.895 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.530 -2.864 -8.844 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.172 -3.401 -10.790 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.106 -1.581 -9.380 1.00 0.00 C ATOM 0 H ILE B 507 0.389 -4.629 -7.903 1.00 0.00 H new ATOM 0 HA ILE B 507 1.948 -6.022 -9.989 1.00 0.00 H new ATOM 0 HB ILE B 507 3.184 -4.087 -10.475 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.592 -2.644 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.211 -3.272 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.476 -2.460 -11.248 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.970 -4.136 -11.569 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.270 -3.242 -10.199 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.258 -0.880 -8.560 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.061 -1.785 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.417 -1.148 -10.105 1.00 0.00 H new ATOM 2076 N GLU B 508 4.016 -5.937 -8.313 1.00 0.00 N ATOM 2077 CA GLU B 508 4.913 -6.304 -7.223 1.00 0.00 C ATOM 2078 C GLU B 508 5.897 -5.180 -6.908 1.00 0.00 C ATOM 2079 O GLU B 508 6.235 -4.366 -7.768 1.00 0.00 O ATOM 2080 CB GLU B 508 5.645 -7.609 -7.526 1.00 0.00 C ATOM 2081 CG GLU B 508 4.715 -8.808 -7.585 1.00 0.00 C ATOM 2082 CD GLU B 508 5.446 -10.129 -7.457 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.422 -10.353 -8.204 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.058 -10.948 -6.600 1.00 0.00 O ATOM 0 H GLU B 508 4.418 -6.016 -9.247 1.00 0.00 H new ATOM 0 HA GLU B 508 4.302 -6.464 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.168 -7.514 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.403 -7.781 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.977 -8.728 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU B 508 4.168 -8.791 -8.528 1.00 0.00 H new ATOM 2091 N ASN B 509 6.336 -5.142 -5.656 1.00 0.00 N ATOM 2092 CA ASN B 509 7.153 -4.044 -5.137 1.00 0.00 C ATOM 2093 C ASN B 509 8.605 -4.142 -5.598 1.00 0.00 C ATOM 2094 O ASN B 509 9.112 -5.230 -5.869 1.00 0.00 O ATOM 2095 CB ASN B 509 7.126 -4.047 -3.608 1.00 0.00 C ATOM 2096 CG ASN B 509 7.899 -5.214 -3.017 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.093 -5.110 -2.755 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.224 -6.332 -2.798 1.00 0.00 N ATOM 0 H ASN B 509 6.138 -5.870 -4.969 1.00 0.00 H new ATOM 0 HA ASN B 509 6.728 -3.119 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.546 -3.112 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.092 -4.089 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.696 -7.143 -2.399 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.232 -6.382 -3.028 1.00 0.00 H new ATOM 2105 N PRO B 510 9.282 -2.985 -5.711 1.00 0.00 N ATOM 2106 CA PRO B 510 10.720 -2.910 -5.962 1.00 0.00 C ATOM 2107 C PRO B 510 11.546 -3.021 -4.679 1.00 0.00 C ATOM 2108 O PRO B 510 12.754 -3.255 -4.727 1.00 0.00 O ATOM 2109 CB PRO B 510 10.910 -1.510 -6.569 1.00 0.00 C ATOM 2110 CG PRO B 510 9.547 -0.901 -6.648 1.00 0.00 C ATOM 2111 CD PRO B 510 8.698 -1.645 -5.668 1.00 0.00 C ATOM 0 HA PRO B 510 11.053 -3.727 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.572 -0.904 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.366 -1.573 -7.557 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.581 0.161 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.141 -0.985 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.751 -1.209 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.648 -1.649 -5.959 1.00 0.00 H new ATOM 2119 N GLN B 511 10.885 -2.853 -3.535 1.00 0.00 N ATOM 2120 CA GLN B 511 11.563 -2.789 -2.240 1.00 0.00 C ATOM 2121 C GLN B 511 12.357 -4.059 -1.949 1.00 0.00 C ATOM 2122 O GLN B 511 13.485 -3.998 -1.465 1.00 0.00 O ATOM 2123 CB GLN B 511 10.548 -2.541 -1.117 1.00 0.00 C ATOM 2124 CG GLN B 511 10.077 -1.096 -0.978 1.00 0.00 C ATOM 2125 CD GLN B 511 10.162 -0.295 -2.262 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.222 -0.267 -3.043 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.285 0.371 -2.481 1.00 0.00 N ATOM 0 H GLN B 511 9.871 -2.758 -3.478 1.00 0.00 H new ATOM 0 HA GLN B 511 12.267 -1.958 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.678 -3.176 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.991 -2.855 -0.172 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.045 -1.093 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.675 -0.601 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.047 0.322 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.388 0.933 -3.326 1.00 0.00 H new