USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl -136:sc= -1.85! (180deg=-0.625) USER MOD Set 1.2: A 131 GLN : amide:sc= 0.0591 X(o=-1.8,f=-2.2) USER MOD Set 1.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Set 2.2: A 97 MET CE :methyl -178:sc= 0 (180deg=-0.00215) USER MOD Set 3.1: A 88 THR OG1 : rot 180:sc= 0.0162 USER MOD Set 3.2: A 117 CYS SG : rot 62:sc= -8.08! USER MOD Set 4.1: A 61 THR OG1 : rot 180:sc= -0.0759 USER MOD Set 4.2: A 62 LYS NZ :NH3+ 158:sc= 0.535 (180deg=0.304) USER MOD Set 5.1: A 24 ASN : amide:sc= 0.0507 X(o=0.81,f=0.9) USER MOD Set 5.2: A 39 TYR OH : rot 11:sc= 0.832 USER MOD Set 5.3: A 55 ASN : amide:sc= -0.0733 K(o=0.81,f=-1.2!) USER MOD Set 6.1: A 26 CYS SG : rot 69:sc= -0.024 USER MOD Set 6.2: A 38 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -1.34 (180deg=-2.98!) USER MOD Single : A 21 ASN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 0.709 (180deg=0.51) USER MOD Single : A 28 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.00079) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.0711 (180deg=-1.23) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.447 F(o=-3.4!,f=-0.45) USER MOD Single : A 36 MET CE :methyl 164:sc= -0.0995 (180deg=-0.539) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc=-0.00651 (180deg=-0.107) USER MOD Single : A 40 THR OG1 : rot 62:sc= 0.951 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0.346 (180deg=0.326) USER MOD Single : A 46 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 107:sc= 0.188 USER MOD Single : A 54 SER OG : rot 180:sc= -0.372 USER MOD Single : A 59 CYS SG : rot 53:sc= 1.19 USER MOD Single : A 60 TYR OH : rot 43:sc= 0.114 USER MOD Single : A 71 LYS NZ :NH3+ -122:sc= 0.623 (180deg=0.214) USER MOD Single : A 73 CYS SG : rot 60:sc= -0.409 USER MOD Single : A 76 CYS SG : rot 92:sc= -2.92! USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 82 THR OG1 : rot -51:sc= 0.637 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 2.49 (180deg=0.186) USER MOD Single : A 87 TYR OH : rot 47:sc= 0.383 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0.839 (180deg=0.839) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc=-0.00351 (180deg=-0.0921) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 0.524 (180deg=0.515) USER MOD Single : A 107 TYR OH : rot -132:sc= 0.22 USER MOD Single : A 108 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.068) USER MOD Single : A 109 LYS NZ :NH3+ 139:sc= 0.767 (180deg=0.111) USER MOD Single : A 115 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 116 SER OG : rot 89:sc= 0.447 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.252 F(o=-0.89,f=-0.25) USER MOD Single : A 127 CYS SG : rot 112:sc= -1.79! USER MOD Single : A 128 MET CE :methyl -156:sc= -0.149 (180deg=-0.718) USER MOD Single : A 129 MET CE :methyl -144:sc= 0 (180deg=-0.557) USER MOD Single : A 133 ASN : amide:sc= 0.575 K(o=0.58,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 10.736 19.332 0.549 1.00 32.13 N ATOM 222 CA LEU A 15 9.501 20.087 0.231 1.00 64.25 C ATOM 223 C LEU A 15 8.356 19.113 -0.095 1.00 64.24 C ATOM 224 O LEU A 15 7.188 19.349 0.253 1.00 50.24 O ATOM 225 CB LEU A 15 9.710 21.072 -0.960 1.00 41.14 C ATOM 226 CG LEU A 15 10.817 22.182 -0.791 1.00 73.15 C ATOM 227 CD1 LEU A 15 12.238 21.648 -1.077 1.00 2.13 C ATOM 228 CD2 LEU A 15 10.505 23.422 -1.659 1.00 55.14 C ATOM 0 HA LEU A 15 9.243 20.677 1.110 1.00 64.25 H new ATOM 0 HB2 LEU A 15 9.953 20.485 -1.846 1.00 41.14 H new ATOM 0 HB3 LEU A 15 8.760 21.569 -1.158 1.00 41.14 H new ATOM 0 HG LEU A 15 10.797 22.485 0.256 1.00 73.15 H new ATOM 0 HD11 LEU A 15 12.962 22.452 -0.946 1.00 2.13 H new ATOM 0 HD12 LEU A 15 12.468 20.837 -0.386 1.00 2.13 H new ATOM 0 HD13 LEU A 15 12.288 21.277 -2.101 1.00 2.13 H new ATOM 0 HD21 LEU A 15 11.286 24.169 -1.520 1.00 55.14 H new ATOM 0 HD22 LEU A 15 10.464 23.130 -2.708 1.00 55.14 H new ATOM 0 HD23 LEU A 15 9.544 23.842 -1.361 1.00 55.14 H new ATOM 240 N ALA A 16 8.730 17.988 -0.728 1.00 61.25 N ATOM 241 CA ALA A 16 7.801 16.918 -1.098 1.00 3.23 C ATOM 242 C ALA A 16 7.151 16.265 0.134 1.00 14.10 C ATOM 243 O ALA A 16 6.058 15.695 0.022 1.00 20.34 O ATOM 244 CB ALA A 16 8.515 15.870 -1.952 1.00 24.14 C ATOM 0 H ALA A 16 9.695 17.799 -0.998 1.00 61.25 H new ATOM 0 HA ALA A 16 6.998 17.367 -1.683 1.00 3.23 H new ATOM 0 HB1 ALA A 16 7.814 15.080 -2.220 1.00 24.14 H new ATOM 0 HB2 ALA A 16 8.898 16.339 -2.859 1.00 24.14 H new ATOM 0 HB3 ALA A 16 9.343 15.443 -1.387 1.00 24.14 H new ATOM 250 N LEU A 17 7.814 16.361 1.314 1.00 14.14 N ATOM 251 CA LEU A 17 7.259 15.817 2.565 1.00 55.04 C ATOM 252 C LEU A 17 6.135 16.747 3.063 1.00 53.13 C ATOM 253 O LEU A 17 5.155 16.284 3.648 1.00 43.30 O ATOM 254 CB LEU A 17 8.397 15.551 3.627 1.00 61.23 C ATOM 255 CG LEU A 17 8.603 16.574 4.819 1.00 1.50 C ATOM 256 CD1 LEU A 17 7.635 16.299 5.997 1.00 12.53 C ATOM 257 CD2 LEU A 17 10.072 16.580 5.314 1.00 41.35 C ATOM 0 H LEU A 17 8.725 16.807 1.418 1.00 14.14 H new ATOM 0 HA LEU A 17 6.811 14.839 2.387 1.00 55.04 H new ATOM 0 HB2 LEU A 17 8.212 14.570 4.066 1.00 61.23 H new ATOM 0 HB3 LEU A 17 9.341 15.485 3.086 1.00 61.23 H new ATOM 0 HG LEU A 17 8.370 17.563 4.424 1.00 1.50 H new ATOM 0 HD11 LEU A 17 7.813 17.025 6.791 1.00 12.53 H new ATOM 0 HD12 LEU A 17 6.605 16.386 5.650 1.00 12.53 H new ATOM 0 HD13 LEU A 17 7.805 15.293 6.380 1.00 12.53 H new ATOM 0 HD21 LEU A 17 10.177 17.293 6.132 1.00 41.35 H new ATOM 0 HD22 LEU A 17 10.342 15.584 5.664 1.00 41.35 H new ATOM 0 HD23 LEU A 17 10.731 16.868 4.495 1.00 41.35 H new ATOM 269 N MET A 18 6.252 18.054 2.748 1.00 51.43 N ATOM 270 CA MET A 18 5.300 19.076 3.231 1.00 13.04 C ATOM 271 C MET A 18 3.950 18.919 2.493 1.00 20.42 C ATOM 272 O MET A 18 2.874 19.048 3.089 1.00 13.30 O ATOM 273 CB MET A 18 5.890 20.505 3.018 1.00 51.10 C ATOM 274 CG MET A 18 7.348 20.685 3.494 1.00 62.02 C ATOM 275 SD MET A 18 7.588 20.298 5.245 1.00 2.50 S ATOM 276 CE MET A 18 9.353 20.587 5.427 1.00 41.43 C ATOM 0 H MET A 18 6.998 18.427 2.160 1.00 51.43 H new ATOM 0 HA MET A 18 5.130 18.937 4.299 1.00 13.04 H new ATOM 0 HB2 MET A 18 5.837 20.750 1.957 1.00 51.10 H new ATOM 0 HB3 MET A 18 5.261 21.224 3.543 1.00 51.10 H new ATOM 0 HG2 MET A 18 7.998 20.046 2.896 1.00 62.02 H new ATOM 0 HG3 MET A 18 7.657 21.714 3.312 1.00 62.02 H new ATOM 0 HE1 MET A 18 9.650 20.389 6.457 1.00 41.43 H new ATOM 0 HE2 MET A 18 9.901 19.924 4.757 1.00 41.43 H new ATOM 0 HE3 MET A 18 9.580 21.623 5.177 1.00 41.43 H new ATOM 286 N VAL A 19 4.044 18.580 1.194 1.00 43.34 N ATOM 287 CA VAL A 19 2.878 18.428 0.296 1.00 52.12 C ATOM 288 C VAL A 19 2.255 17.004 0.392 1.00 35.54 C ATOM 289 O VAL A 19 1.102 16.806 0.000 1.00 52.44 O ATOM 290 CB VAL A 19 3.272 18.775 -1.192 1.00 73.24 C ATOM 291 CG1 VAL A 19 4.243 17.737 -1.773 1.00 3.11 C ATOM 292 CG2 VAL A 19 2.031 18.964 -2.103 1.00 51.22 C ATOM 0 H VAL A 19 4.936 18.402 0.732 1.00 43.34 H new ATOM 0 HA VAL A 19 2.116 19.135 0.624 1.00 52.12 H new ATOM 0 HB VAL A 19 3.789 19.734 -1.164 1.00 73.24 H new ATOM 0 HG11 VAL A 19 4.493 18.007 -2.799 1.00 3.11 H new ATOM 0 HG12 VAL A 19 5.152 17.713 -1.172 1.00 3.11 H new ATOM 0 HG13 VAL A 19 3.774 16.753 -1.761 1.00 3.11 H new ATOM 0 HG21 VAL A 19 2.356 19.201 -3.116 1.00 51.22 H new ATOM 0 HG22 VAL A 19 1.446 18.045 -2.116 1.00 51.22 H new ATOM 0 HG23 VAL A 19 1.418 19.779 -1.718 1.00 51.22 H new ATOM 302 N LYS A 20 3.019 15.993 0.866 1.00 61.21 N ATOM 303 CA LYS A 20 2.449 14.633 1.073 1.00 31.42 C ATOM 304 C LYS A 20 1.668 14.563 2.403 1.00 31.44 C ATOM 305 O LYS A 20 0.730 13.776 2.530 1.00 71.34 O ATOM 306 CB LYS A 20 3.543 13.524 1.005 1.00 30.45 C ATOM 307 CG LYS A 20 4.444 13.367 2.255 1.00 12.35 C ATOM 308 CD LYS A 20 5.539 12.274 2.091 1.00 75.40 C ATOM 309 CE LYS A 20 6.533 12.578 0.961 1.00 13.13 C ATOM 310 NZ LYS A 20 7.585 11.535 0.840 1.00 24.44 N ATOM 0 H LYS A 20 4.006 16.083 1.108 1.00 61.21 H new ATOM 0 HA LYS A 20 1.753 14.444 0.256 1.00 31.42 H new ATOM 0 HB2 LYS A 20 3.051 12.570 0.817 1.00 30.45 H new ATOM 0 HB3 LYS A 20 4.183 13.728 0.146 1.00 30.45 H new ATOM 0 HG2 LYS A 20 4.923 14.322 2.471 1.00 12.35 H new ATOM 0 HG3 LYS A 20 3.821 13.121 3.115 1.00 12.35 H new ATOM 0 HD2 LYS A 20 6.085 12.172 3.029 1.00 75.40 H new ATOM 0 HD3 LYS A 20 5.059 11.315 1.896 1.00 75.40 H new ATOM 0 HE2 LYS A 20 5.994 12.658 0.017 1.00 13.13 H new ATOM 0 HE3 LYS A 20 7.002 13.545 1.143 1.00 13.13 H new ATOM 0 HZ1 LYS A 20 7.872 11.446 -0.156 1.00 24.44 H new ATOM 0 HZ2 LYS A 20 8.409 11.804 1.415 1.00 24.44 H new ATOM 0 HZ3 LYS A 20 7.211 10.624 1.176 1.00 24.44 H new ATOM 324 N ASN A 21 2.061 15.422 3.372 1.00 53.22 N ATOM 325 CA ASN A 21 1.458 15.480 4.731 1.00 65.21 C ATOM 326 C ASN A 21 -0.032 15.897 4.678 1.00 24.23 C ATOM 327 O ASN A 21 -0.858 15.342 5.411 1.00 1.34 O ATOM 328 CB ASN A 21 2.299 16.432 5.661 1.00 44.21 C ATOM 329 CG ASN A 21 3.221 15.674 6.635 1.00 42.11 C ATOM 330 OD1 ASN A 21 2.895 15.491 7.807 1.00 42.12 O ATOM 331 ND2 ASN A 21 4.344 15.174 6.154 1.00 32.54 N ATOM 0 H ASN A 21 2.810 16.100 3.235 1.00 53.22 H new ATOM 0 HA ASN A 21 1.486 14.478 5.159 1.00 65.21 H new ATOM 0 HB2 ASN A 21 2.903 17.094 5.040 1.00 44.21 H new ATOM 0 HB3 ASN A 21 1.619 17.064 6.233 1.00 44.21 H new ATOM 0 HD21 ASN A 21 4.958 14.626 6.757 1.00 32.54 H new ATOM 0 HD22 ASN A 21 4.598 15.336 5.180 1.00 32.54 H new ATOM 338 N LYS A 22 -0.366 16.860 3.796 1.00 52.13 N ATOM 339 CA LYS A 22 -1.772 17.264 3.551 1.00 20.20 C ATOM 340 C LYS A 22 -2.561 16.098 2.897 1.00 33.05 C ATOM 341 O LYS A 22 -3.710 15.852 3.253 1.00 64.40 O ATOM 342 CB LYS A 22 -1.827 18.551 2.670 1.00 42.30 C ATOM 343 CG LYS A 22 -1.054 18.427 1.347 1.00 34.22 C ATOM 344 CD LYS A 22 -1.011 19.710 0.492 1.00 72.33 C ATOM 345 CE LYS A 22 -2.354 20.066 -0.166 1.00 54.34 C ATOM 346 NZ LYS A 22 -2.227 21.234 -1.089 1.00 34.23 N ATOM 0 H LYS A 22 0.316 17.375 3.239 1.00 52.13 H new ATOM 0 HA LYS A 22 -2.243 17.495 4.506 1.00 20.20 H new ATOM 0 HB2 LYS A 22 -2.868 18.787 2.451 1.00 42.30 H new ATOM 0 HB3 LYS A 22 -1.423 19.388 3.239 1.00 42.30 H new ATOM 0 HG2 LYS A 22 -0.031 18.122 1.569 1.00 34.22 H new ATOM 0 HG3 LYS A 22 -1.503 17.629 0.755 1.00 34.22 H new ATOM 0 HD2 LYS A 22 -0.693 20.543 1.120 1.00 72.33 H new ATOM 0 HD3 LYS A 22 -0.257 19.591 -0.286 1.00 72.33 H new ATOM 0 HE2 LYS A 22 -2.727 19.204 -0.719 1.00 54.34 H new ATOM 0 HE3 LYS A 22 -3.089 20.292 0.607 1.00 54.34 H new ATOM 0 HZ1 LYS A 22 -3.169 21.635 -1.274 1.00 34.23 H new ATOM 0 HZ2 LYS A 22 -1.622 21.958 -0.651 1.00 34.23 H new ATOM 0 HZ3 LYS A 22 -1.801 20.923 -1.985 1.00 34.23 H new ATOM 360 N GLY A 23 -1.903 15.365 1.971 1.00 74.31 N ATOM 361 CA GLY A 23 -2.500 14.185 1.322 1.00 74.14 C ATOM 362 C GLY A 23 -2.841 13.062 2.301 1.00 53.14 C ATOM 363 O GLY A 23 -3.809 12.316 2.089 1.00 33.35 O ATOM 0 H GLY A 23 -0.955 15.574 1.658 1.00 74.31 H new ATOM 0 HA2 GLY A 23 -3.406 14.488 0.798 1.00 74.14 H new ATOM 0 HA3 GLY A 23 -1.809 13.804 0.570 1.00 74.14 H new ATOM 367 N ASN A 24 -2.033 12.960 3.378 1.00 2.01 N ATOM 368 CA ASN A 24 -2.213 11.956 4.448 1.00 34.11 C ATOM 369 C ASN A 24 -3.462 12.267 5.291 1.00 51.42 C ATOM 370 O ASN A 24 -4.243 11.357 5.612 1.00 32.14 O ATOM 371 CB ASN A 24 -0.962 11.894 5.367 1.00 1.22 C ATOM 372 CG ASN A 24 0.326 11.492 4.635 1.00 71.50 C ATOM 373 OD1 ASN A 24 0.311 10.729 3.666 1.00 50.54 O ATOM 374 ND2 ASN A 24 1.454 12.002 5.100 1.00 11.41 N ATOM 0 H ASN A 24 -1.234 13.575 3.530 1.00 2.01 H new ATOM 0 HA ASN A 24 -2.346 10.986 3.969 1.00 34.11 H new ATOM 0 HB2 ASN A 24 -0.815 12.869 5.832 1.00 1.22 H new ATOM 0 HB3 ASN A 24 -1.149 11.183 6.171 1.00 1.22 H new ATOM 0 HD21 ASN A 24 2.341 11.767 4.656 1.00 11.41 H new ATOM 0 HD22 ASN A 24 1.437 12.631 5.903 1.00 11.41 H new ATOM 381 N GLU A 25 -3.652 13.561 5.642 1.00 2.40 N ATOM 382 CA GLU A 25 -4.783 13.972 6.490 1.00 10.02 C ATOM 383 C GLU A 25 -6.104 13.913 5.699 1.00 33.52 C ATOM 384 O GLU A 25 -7.070 13.351 6.211 1.00 64.01 O ATOM 385 CB GLU A 25 -4.578 15.384 7.126 1.00 0.32 C ATOM 386 CG GLU A 25 -4.692 16.564 6.145 1.00 31.12 C ATOM 387 CD GLU A 25 -4.514 17.946 6.785 1.00 54.23 C ATOM 388 OE1 GLU A 25 -3.365 18.395 6.935 1.00 31.33 O ATOM 389 OE2 GLU A 25 -5.528 18.598 7.117 1.00 61.11 O ATOM 0 H GLU A 25 -3.042 14.326 5.353 1.00 2.40 H new ATOM 0 HA GLU A 25 -4.834 13.262 7.316 1.00 10.02 H new ATOM 0 HB2 GLU A 25 -5.314 15.519 7.919 1.00 0.32 H new ATOM 0 HB3 GLU A 25 -3.594 15.415 7.595 1.00 0.32 H new ATOM 0 HG2 GLU A 25 -3.944 16.442 5.362 1.00 31.12 H new ATOM 0 HG3 GLU A 25 -5.668 16.525 5.662 1.00 31.12 H new ATOM 396 N CYS A 26 -6.094 14.433 4.432 1.00 22.42 N ATOM 397 CA CYS A 26 -7.315 14.633 3.602 1.00 42.31 C ATOM 398 C CYS A 26 -8.228 13.393 3.588 1.00 60.31 C ATOM 399 O CYS A 26 -9.423 13.485 3.889 1.00 60.10 O ATOM 400 CB CYS A 26 -6.931 15.018 2.158 1.00 45.02 C ATOM 401 SG CYS A 26 -6.088 16.609 2.011 1.00 51.45 S ATOM 0 H CYS A 26 -5.236 14.723 3.963 1.00 22.42 H new ATOM 0 HA CYS A 26 -7.876 15.447 4.060 1.00 42.31 H new ATOM 0 HB2 CYS A 26 -6.288 14.240 1.746 1.00 45.02 H new ATOM 0 HB3 CYS A 26 -7.834 15.041 1.548 1.00 45.02 H new ATOM 0 HG CYS A 26 -4.904 16.523 2.540 1.00 51.45 H new ATOM 407 N PHE A 27 -7.601 12.242 3.306 1.00 13.13 N ATOM 408 CA PHE A 27 -8.240 10.916 3.267 1.00 22.53 C ATOM 409 C PHE A 27 -9.059 10.658 4.551 1.00 71.14 C ATOM 410 O PHE A 27 -10.274 10.410 4.510 1.00 1.20 O ATOM 411 CB PHE A 27 -7.108 9.862 3.105 1.00 43.34 C ATOM 412 CG PHE A 27 -7.573 8.473 2.721 1.00 50.41 C ATOM 413 CD1 PHE A 27 -7.896 8.172 1.399 1.00 11.54 C ATOM 414 CD2 PHE A 27 -7.674 7.464 3.670 1.00 53.45 C ATOM 415 CE1 PHE A 27 -8.308 6.911 1.045 1.00 45.11 C ATOM 416 CE2 PHE A 27 -8.083 6.199 3.313 1.00 51.12 C ATOM 417 CZ PHE A 27 -8.400 5.925 1.999 1.00 51.33 C ATOM 0 H PHE A 27 -6.604 12.206 3.092 1.00 13.13 H new ATOM 0 HA PHE A 27 -8.939 10.854 2.433 1.00 22.53 H new ATOM 0 HB2 PHE A 27 -6.409 10.216 2.348 1.00 43.34 H new ATOM 0 HB3 PHE A 27 -6.556 9.797 4.043 1.00 43.34 H new ATOM 0 HD1 PHE A 27 -7.821 8.940 0.644 1.00 11.54 H new ATOM 0 HD2 PHE A 27 -7.429 7.674 4.701 1.00 53.45 H new ATOM 0 HE1 PHE A 27 -8.560 6.694 0.018 1.00 45.11 H new ATOM 0 HE2 PHE A 27 -8.156 5.423 4.060 1.00 51.12 H new ATOM 0 HZ PHE A 27 -8.722 4.933 1.718 1.00 51.33 H new ATOM 427 N GLN A 28 -8.365 10.851 5.680 1.00 5.11 N ATOM 428 CA GLN A 28 -8.885 10.638 7.032 1.00 11.44 C ATOM 429 C GLN A 28 -9.980 11.672 7.398 1.00 24.00 C ATOM 430 O GLN A 28 -10.796 11.420 8.298 1.00 12.31 O ATOM 431 CB GLN A 28 -7.692 10.714 8.027 1.00 33.42 C ATOM 432 CG GLN A 28 -8.018 10.363 9.491 1.00 14.51 C ATOM 433 CD GLN A 28 -8.519 8.923 9.712 1.00 53.12 C ATOM 434 OE1 GLN A 28 -9.313 8.667 10.616 1.00 50.35 O ATOM 435 NE2 GLN A 28 -8.048 7.964 8.918 1.00 5.04 N ATOM 0 H GLN A 28 -7.396 11.170 5.675 1.00 5.11 H new ATOM 0 HA GLN A 28 -9.358 9.658 7.086 1.00 11.44 H new ATOM 0 HB2 GLN A 28 -6.908 10.042 7.678 1.00 33.42 H new ATOM 0 HB3 GLN A 28 -7.282 11.724 7.998 1.00 33.42 H new ATOM 0 HG2 GLN A 28 -7.124 10.519 10.095 1.00 14.51 H new ATOM 0 HG3 GLN A 28 -8.775 11.057 9.857 1.00 14.51 H new ATOM 0 HE21 GLN A 28 -7.390 8.195 8.174 1.00 5.04 H new ATOM 0 HE22 GLN A 28 -8.345 6.998 9.054 1.00 5.04 H new ATOM 444 N LYS A 29 -10.021 12.825 6.683 1.00 42.23 N ATOM 445 CA LYS A 29 -11.038 13.872 6.933 1.00 3.20 C ATOM 446 C LYS A 29 -12.356 13.524 6.206 1.00 75.55 C ATOM 447 O LYS A 29 -13.398 14.139 6.474 1.00 34.44 O ATOM 448 CB LYS A 29 -10.540 15.288 6.494 1.00 20.34 C ATOM 449 CG LYS A 29 -9.073 15.629 6.851 1.00 0.44 C ATOM 450 CD LYS A 29 -8.694 15.531 8.355 1.00 20.22 C ATOM 451 CE LYS A 29 -9.104 16.752 9.192 1.00 24.32 C ATOM 452 NZ LYS A 29 -10.574 16.874 9.368 1.00 73.53 N ATOM 0 H LYS A 29 -9.366 13.050 5.935 1.00 42.23 H new ATOM 0 HA LYS A 29 -11.216 13.903 8.008 1.00 3.20 H new ATOM 0 HB2 LYS A 29 -10.661 15.376 5.414 1.00 20.34 H new ATOM 0 HB3 LYS A 29 -11.188 16.037 6.949 1.00 20.34 H new ATOM 0 HG2 LYS A 29 -8.419 14.962 6.289 1.00 0.44 H new ATOM 0 HG3 LYS A 29 -8.864 16.643 6.510 1.00 0.44 H new ATOM 0 HD2 LYS A 29 -9.161 14.642 8.778 1.00 20.22 H new ATOM 0 HD3 LYS A 29 -7.616 15.394 8.438 1.00 20.22 H new ATOM 0 HE2 LYS A 29 -8.631 16.688 10.172 1.00 24.32 H new ATOM 0 HE3 LYS A 29 -8.726 17.656 8.714 1.00 24.32 H new ATOM 0 HZ1 LYS A 29 -10.778 17.336 10.277 1.00 73.53 H new ATOM 0 HZ2 LYS A 29 -10.970 17.444 8.593 1.00 73.53 H new ATOM 0 HZ3 LYS A 29 -11.005 15.927 9.357 1.00 73.53 H new ATOM 466 N GLY A 30 -12.298 12.527 5.293 1.00 21.34 N ATOM 467 CA GLY A 30 -13.457 12.106 4.498 1.00 73.53 C ATOM 468 C GLY A 30 -13.266 12.362 3.013 1.00 14.04 C ATOM 469 O GLY A 30 -14.137 12.019 2.207 1.00 22.34 O ATOM 0 H GLY A 30 -11.448 11.999 5.093 1.00 21.34 H new ATOM 0 HA2 GLY A 30 -13.638 11.043 4.660 1.00 73.53 H new ATOM 0 HA3 GLY A 30 -14.344 12.637 4.844 1.00 73.53 H new ATOM 473 N ASP A 31 -12.118 12.951 2.649 1.00 2.22 N ATOM 474 CA ASP A 31 -11.776 13.275 1.257 1.00 21.42 C ATOM 475 C ASP A 31 -10.959 12.109 0.659 1.00 44.21 C ATOM 476 O ASP A 31 -9.766 12.254 0.405 1.00 31.11 O ATOM 477 CB ASP A 31 -10.961 14.611 1.200 1.00 20.40 C ATOM 478 CG ASP A 31 -11.654 15.800 1.883 1.00 4.44 C ATOM 479 OD1 ASP A 31 -11.719 15.812 3.131 1.00 24.43 O ATOM 480 OD2 ASP A 31 -12.114 16.735 1.189 1.00 43.42 O ATOM 0 H ASP A 31 -11.395 13.218 3.318 1.00 2.22 H new ATOM 0 HA ASP A 31 -12.686 13.411 0.673 1.00 21.42 H new ATOM 0 HB2 ASP A 31 -9.990 14.452 1.670 1.00 20.40 H new ATOM 0 HB3 ASP A 31 -10.773 14.865 0.157 1.00 20.40 H new ATOM 485 N TYR A 32 -11.610 10.941 0.475 1.00 0.34 N ATOM 486 CA TYR A 32 -10.930 9.700 0.011 1.00 71.15 C ATOM 487 C TYR A 32 -10.344 9.827 -1.438 1.00 61.54 C ATOM 488 O TYR A 32 -9.153 9.526 -1.626 1.00 44.24 O ATOM 489 CB TYR A 32 -11.870 8.452 0.147 1.00 62.13 C ATOM 490 CG TYR A 32 -12.179 8.012 1.599 1.00 4.41 C ATOM 491 CD1 TYR A 32 -12.710 8.903 2.530 1.00 52.53 C ATOM 492 CD2 TYR A 32 -11.946 6.702 2.032 1.00 31.22 C ATOM 493 CE1 TYR A 32 -12.993 8.516 3.824 1.00 73.12 C ATOM 494 CE2 TYR A 32 -12.228 6.313 3.329 1.00 72.43 C ATOM 495 CZ TYR A 32 -12.751 7.223 4.218 1.00 20.31 C ATOM 496 OH TYR A 32 -13.035 6.839 5.514 1.00 75.03 O ATOM 0 H TYR A 32 -12.610 10.825 0.640 1.00 0.34 H new ATOM 0 HA TYR A 32 -10.075 9.551 0.670 1.00 71.15 H new ATOM 0 HB2 TYR A 32 -12.811 8.670 -0.357 1.00 62.13 H new ATOM 0 HB3 TYR A 32 -11.413 7.614 -0.380 1.00 62.13 H new ATOM 0 HD1 TYR A 32 -12.905 9.922 2.231 1.00 52.53 H new ATOM 0 HD2 TYR A 32 -11.538 5.980 1.340 1.00 31.22 H new ATOM 0 HE1 TYR A 32 -13.404 9.228 4.525 1.00 73.12 H new ATOM 0 HE2 TYR A 32 -12.038 5.297 3.643 1.00 72.43 H new ATOM 0 HH TYR A 32 -12.808 5.893 5.632 1.00 75.03 H new ATOM 506 N PRO A 33 -11.131 10.272 -2.491 1.00 53.14 N ATOM 507 CA PRO A 33 -10.573 10.482 -3.853 1.00 45.33 C ATOM 508 C PRO A 33 -9.640 11.708 -3.899 1.00 42.23 C ATOM 509 O PRO A 33 -8.526 11.629 -4.435 1.00 11.41 O ATOM 510 CB PRO A 33 -11.830 10.686 -4.755 1.00 11.15 C ATOM 511 CG PRO A 33 -13.009 10.325 -3.891 1.00 5.42 C ATOM 512 CD PRO A 33 -12.583 10.591 -2.469 1.00 51.40 C ATOM 0 HA PRO A 33 -9.959 9.644 -4.182 1.00 45.33 H new ATOM 0 HB2 PRO A 33 -11.900 11.716 -5.103 1.00 11.15 H new ATOM 0 HB3 PRO A 33 -11.784 10.053 -5.641 1.00 11.15 H new ATOM 0 HG2 PRO A 33 -13.882 10.922 -4.154 1.00 5.42 H new ATOM 0 HG3 PRO A 33 -13.285 9.279 -4.026 1.00 5.42 H new ATOM 0 HD2 PRO A 33 -12.765 11.626 -2.180 1.00 51.40 H new ATOM 0 HD3 PRO A 33 -13.124 9.963 -1.761 1.00 51.40 H new ATOM 520 N GLN A 34 -10.100 12.825 -3.290 1.00 34.43 N ATOM 521 CA GLN A 34 -9.375 14.114 -3.280 1.00 13.42 C ATOM 522 C GLN A 34 -7.981 13.969 -2.630 1.00 43.55 C ATOM 523 O GLN A 34 -7.041 14.658 -3.031 1.00 1.31 O ATOM 524 CB GLN A 34 -10.219 15.193 -2.545 1.00 1.14 C ATOM 525 CG GLN A 34 -9.649 16.641 -2.584 1.00 33.43 C ATOM 526 CD GLN A 34 -9.950 17.458 -3.860 1.00 62.20 C ATOM 527 OE1 GLN A 34 -10.160 16.815 -5.000 1.00 74.52 O flip ATOM 528 NE2 GLN A 34 -10.012 18.685 -3.809 1.00 24.31 N flip ATOM 0 H GLN A 34 -10.988 12.856 -2.790 1.00 34.43 H new ATOM 0 HA GLN A 34 -9.223 14.430 -4.312 1.00 13.42 H new ATOM 0 HB2 GLN A 34 -11.218 15.204 -2.980 1.00 1.14 H new ATOM 0 HB3 GLN A 34 -10.329 14.894 -1.503 1.00 1.14 H new ATOM 0 HG2 GLN A 34 -10.042 17.187 -1.727 1.00 33.43 H new ATOM 0 HG3 GLN A 34 -8.568 16.587 -2.459 1.00 33.43 H new ATOM 0 HE21 GLN A 34 -9.848 19.168 -2.925 1.00 24.31 H new ATOM 0 HE22 GLN A 34 -10.227 19.220 -4.650 1.00 24.31 H new ATOM 537 N ALA A 35 -7.853 13.040 -1.655 1.00 54.33 N ATOM 538 CA ALA A 35 -6.560 12.704 -1.022 1.00 21.44 C ATOM 539 C ALA A 35 -5.567 12.155 -2.043 1.00 4.32 C ATOM 540 O ALA A 35 -4.386 12.498 -2.003 1.00 63.14 O ATOM 541 CB ALA A 35 -6.746 11.676 0.090 1.00 31.23 C ATOM 0 H ALA A 35 -8.640 12.505 -1.287 1.00 54.33 H new ATOM 0 HA ALA A 35 -6.164 13.628 -0.600 1.00 21.44 H new ATOM 0 HB1 ALA A 35 -5.780 11.447 0.539 1.00 31.23 H new ATOM 0 HB2 ALA A 35 -7.413 12.080 0.851 1.00 31.23 H new ATOM 0 HB3 ALA A 35 -7.179 10.766 -0.325 1.00 31.23 H new ATOM 547 N MET A 36 -6.079 11.327 -2.975 1.00 64.41 N ATOM 548 CA MET A 36 -5.265 10.704 -4.030 1.00 64.01 C ATOM 549 C MET A 36 -4.793 11.781 -5.021 1.00 31.10 C ATOM 550 O MET A 36 -3.715 11.679 -5.593 1.00 2.33 O ATOM 551 CB MET A 36 -6.072 9.589 -4.746 1.00 35.11 C ATOM 552 CG MET A 36 -5.323 8.865 -5.875 1.00 21.54 C ATOM 553 SD MET A 36 -6.302 7.562 -6.640 1.00 12.31 S ATOM 554 CE MET A 36 -7.742 8.455 -7.234 1.00 73.52 C ATOM 0 H MET A 36 -7.066 11.074 -3.015 1.00 64.41 H new ATOM 0 HA MET A 36 -4.386 10.239 -3.584 1.00 64.01 H new ATOM 0 HB2 MET A 36 -6.380 8.852 -4.005 1.00 35.11 H new ATOM 0 HB3 MET A 36 -6.981 10.027 -5.157 1.00 35.11 H new ATOM 0 HG2 MET A 36 -5.034 9.590 -6.636 1.00 21.54 H new ATOM 0 HG3 MET A 36 -4.403 8.436 -5.478 1.00 21.54 H new ATOM 0 HE1 MET A 36 -8.277 7.841 -7.959 1.00 73.52 H new ATOM 0 HE2 MET A 36 -8.400 8.683 -6.395 1.00 73.52 H new ATOM 0 HE3 MET A 36 -7.424 9.383 -7.709 1.00 73.52 H new ATOM 564 N LYS A 37 -5.610 12.839 -5.168 1.00 74.35 N ATOM 565 CA LYS A 37 -5.285 14.011 -6.000 1.00 73.01 C ATOM 566 C LYS A 37 -4.246 14.905 -5.291 1.00 54.24 C ATOM 567 O LYS A 37 -3.398 15.526 -5.941 1.00 1.22 O ATOM 568 CB LYS A 37 -6.574 14.807 -6.314 1.00 62.13 C ATOM 569 CG LYS A 37 -7.661 13.957 -7.007 1.00 35.41 C ATOM 570 CD LYS A 37 -8.941 14.758 -7.331 1.00 30.40 C ATOM 571 CE LYS A 37 -9.969 13.944 -8.134 1.00 20.40 C ATOM 572 NZ LYS A 37 -9.464 13.552 -9.478 1.00 35.44 N ATOM 0 H LYS A 37 -6.519 12.905 -4.710 1.00 74.35 H new ATOM 0 HA LYS A 37 -4.850 13.670 -6.939 1.00 73.01 H new ATOM 0 HB2 LYS A 37 -6.977 15.214 -5.387 1.00 62.13 H new ATOM 0 HB3 LYS A 37 -6.323 15.655 -6.952 1.00 62.13 H new ATOM 0 HG2 LYS A 37 -7.256 13.542 -7.930 1.00 35.41 H new ATOM 0 HG3 LYS A 37 -7.919 13.115 -6.365 1.00 35.41 H new ATOM 0 HD2 LYS A 37 -9.398 15.094 -6.401 1.00 30.40 H new ATOM 0 HD3 LYS A 37 -8.672 15.651 -7.895 1.00 30.40 H new ATOM 0 HE2 LYS A 37 -10.235 13.047 -7.574 1.00 20.40 H new ATOM 0 HE3 LYS A 37 -10.881 14.530 -8.249 1.00 20.40 H new ATOM 0 HZ1 LYS A 37 -10.244 13.157 -10.040 1.00 35.44 H new ATOM 0 HZ2 LYS A 37 -9.078 14.388 -9.961 1.00 35.44 H new ATOM 0 HZ3 LYS A 37 -8.716 12.837 -9.373 1.00 35.44 H new ATOM 586 N HIS A 38 -4.324 14.952 -3.949 1.00 4.14 N ATOM 587 CA HIS A 38 -3.316 15.635 -3.100 1.00 75.13 C ATOM 588 C HIS A 38 -2.006 14.824 -3.052 1.00 33.40 C ATOM 589 O HIS A 38 -0.944 15.367 -2.725 1.00 30.33 O ATOM 590 CB HIS A 38 -3.860 15.927 -1.673 1.00 14.12 C ATOM 591 CG HIS A 38 -4.957 16.965 -1.651 1.00 70.31 C ATOM 592 ND1 HIS A 38 -4.809 18.212 -2.207 1.00 61.33 N ATOM 593 CD2 HIS A 38 -6.224 16.923 -1.180 1.00 71.12 C ATOM 594 CE1 HIS A 38 -5.928 18.888 -2.082 1.00 73.13 C ATOM 595 NE2 HIS A 38 -6.805 18.131 -1.460 1.00 45.31 N ATOM 0 H HIS A 38 -5.082 14.521 -3.419 1.00 4.14 H new ATOM 0 HA HIS A 38 -3.099 16.601 -3.556 1.00 75.13 H new ATOM 0 HB2 HIS A 38 -4.237 15.001 -1.239 1.00 14.12 H new ATOM 0 HB3 HIS A 38 -3.038 16.264 -1.041 1.00 14.12 H new ATOM 0 HD1 HIS A 38 -3.959 18.560 -2.650 1.00 61.33 H new ATOM 0 HD2 HIS A 38 -6.692 16.090 -0.676 1.00 71.12 H new ATOM 0 HE1 HIS A 38 -6.099 19.896 -2.431 1.00 73.13 H new ATOM 604 N TYR A 39 -2.092 13.519 -3.361 1.00 24.50 N ATOM 605 CA TYR A 39 -0.907 12.705 -3.651 1.00 64.24 C ATOM 606 C TYR A 39 -0.393 13.018 -5.067 1.00 2.11 C ATOM 607 O TYR A 39 0.795 13.151 -5.248 1.00 4.22 O ATOM 608 CB TYR A 39 -1.184 11.186 -3.476 1.00 3.15 C ATOM 609 CG TYR A 39 -1.332 10.743 -2.009 1.00 32.34 C ATOM 610 CD1 TYR A 39 -0.317 11.000 -1.078 1.00 32.54 C ATOM 611 CD2 TYR A 39 -2.473 10.072 -1.552 1.00 71.43 C ATOM 612 CE1 TYR A 39 -0.440 10.606 0.239 1.00 23.01 C ATOM 613 CE2 TYR A 39 -2.596 9.678 -0.234 1.00 33.35 C ATOM 614 CZ TYR A 39 -1.582 9.947 0.653 1.00 24.44 C ATOM 615 OH TYR A 39 -1.701 9.552 1.964 1.00 74.45 O ATOM 0 H TYR A 39 -2.973 13.008 -3.416 1.00 24.50 H new ATOM 0 HA TYR A 39 -0.134 12.965 -2.928 1.00 64.24 H new ATOM 0 HB2 TYR A 39 -2.095 10.928 -4.017 1.00 3.15 H new ATOM 0 HB3 TYR A 39 -0.371 10.623 -3.935 1.00 3.15 H new ATOM 0 HD1 TYR A 39 0.577 11.515 -1.396 1.00 32.54 H new ATOM 0 HD2 TYR A 39 -3.274 9.858 -2.245 1.00 71.43 H new ATOM 0 HE1 TYR A 39 0.353 10.812 0.943 1.00 23.01 H new ATOM 0 HE2 TYR A 39 -3.485 9.161 0.098 1.00 33.35 H new ATOM 0 HH TYR A 39 -0.986 9.961 2.495 1.00 74.45 H new ATOM 625 N THR A 40 -1.302 13.185 -6.052 1.00 73.31 N ATOM 626 CA THR A 40 -0.928 13.437 -7.474 1.00 31.31 C ATOM 627 C THR A 40 -0.057 14.715 -7.627 1.00 61.44 C ATOM 628 O THR A 40 0.877 14.755 -8.445 1.00 22.13 O ATOM 629 CB THR A 40 -2.210 13.541 -8.366 1.00 1.13 C ATOM 630 OG1 THR A 40 -2.986 12.342 -8.228 1.00 30.50 O ATOM 631 CG2 THR A 40 -1.905 13.772 -9.860 1.00 11.40 C ATOM 0 H THR A 40 -2.309 13.151 -5.893 1.00 73.31 H new ATOM 0 HA THR A 40 -0.329 12.590 -7.809 1.00 31.31 H new ATOM 0 HB THR A 40 -2.762 14.413 -8.015 1.00 1.13 H new ATOM 0 HG1 THR A 40 -3.271 12.242 -7.296 1.00 30.50 H new ATOM 0 HG21 THR A 40 -2.840 13.834 -10.417 1.00 11.40 H new ATOM 0 HG22 THR A 40 -1.350 14.703 -9.978 1.00 11.40 H new ATOM 0 HG23 THR A 40 -1.309 12.943 -10.242 1.00 11.40 H new ATOM 639 N GLU A 41 -0.358 15.745 -6.810 1.00 13.45 N ATOM 640 CA GLU A 41 0.443 16.983 -6.761 1.00 34.15 C ATOM 641 C GLU A 41 1.763 16.743 -5.989 1.00 23.25 C ATOM 642 O GLU A 41 2.773 17.399 -6.257 1.00 10.24 O ATOM 643 CB GLU A 41 -0.369 18.149 -6.135 1.00 35.54 C ATOM 644 CG GLU A 41 -0.716 17.978 -4.646 1.00 34.40 C ATOM 645 CD GLU A 41 -1.567 19.129 -4.083 1.00 4.44 C ATOM 646 OE1 GLU A 41 -2.807 19.064 -4.198 1.00 44.21 O ATOM 647 OE2 GLU A 41 -1.007 20.105 -3.547 1.00 73.23 O ATOM 0 H GLU A 41 -1.154 15.742 -6.173 1.00 13.45 H new ATOM 0 HA GLU A 41 0.694 17.269 -7.783 1.00 34.15 H new ATOM 0 HB2 GLU A 41 0.198 19.072 -6.256 1.00 35.54 H new ATOM 0 HB3 GLU A 41 -1.296 18.268 -6.697 1.00 35.54 H new ATOM 0 HG2 GLU A 41 -1.253 17.039 -4.511 1.00 34.40 H new ATOM 0 HG3 GLU A 41 0.207 17.903 -4.071 1.00 34.40 H new ATOM 654 N ALA A 42 1.745 15.789 -5.035 1.00 60.33 N ATOM 655 CA ALA A 42 2.954 15.365 -4.302 1.00 42.12 C ATOM 656 C ALA A 42 3.931 14.631 -5.247 1.00 71.23 C ATOM 657 O ALA A 42 5.131 14.855 -5.154 1.00 13.40 O ATOM 658 CB ALA A 42 2.588 14.507 -3.074 1.00 23.44 C ATOM 0 H ALA A 42 0.898 15.295 -4.753 1.00 60.33 H new ATOM 0 HA ALA A 42 3.461 16.255 -3.929 1.00 42.12 H new ATOM 0 HB1 ALA A 42 3.498 14.209 -2.554 1.00 23.44 H new ATOM 0 HB2 ALA A 42 1.958 15.087 -2.400 1.00 23.44 H new ATOM 0 HB3 ALA A 42 2.049 13.617 -3.399 1.00 23.44 H new ATOM 664 N ILE A 43 3.386 13.807 -6.189 1.00 23.12 N ATOM 665 CA ILE A 43 4.169 13.075 -7.228 1.00 64.12 C ATOM 666 C ILE A 43 5.051 14.065 -8.049 1.00 32.00 C ATOM 667 O ILE A 43 6.174 13.733 -8.453 1.00 70.22 O ATOM 668 CB ILE A 43 3.207 12.229 -8.204 1.00 5.45 C ATOM 669 CG1 ILE A 43 2.857 10.807 -7.648 1.00 63.15 C ATOM 670 CG2 ILE A 43 3.794 12.061 -9.631 1.00 23.32 C ATOM 671 CD1 ILE A 43 2.122 10.742 -6.328 1.00 71.10 C ATOM 0 H ILE A 43 2.383 13.631 -6.248 1.00 23.12 H new ATOM 0 HA ILE A 43 4.823 12.370 -6.715 1.00 64.12 H new ATOM 0 HB ILE A 43 2.295 12.824 -8.254 1.00 5.45 H new ATOM 0 HG12 ILE A 43 2.255 10.291 -8.396 1.00 63.15 H new ATOM 0 HG13 ILE A 43 3.786 10.247 -7.545 1.00 63.15 H new ATOM 0 HG21 ILE A 43 3.102 11.483 -10.243 1.00 23.32 H new ATOM 0 HG22 ILE A 43 3.943 13.043 -10.081 1.00 23.32 H new ATOM 0 HG23 ILE A 43 4.749 11.539 -9.572 1.00 23.32 H new ATOM 0 HD11 ILE A 43 1.944 9.700 -6.062 1.00 71.10 H new ATOM 0 HD12 ILE A 43 2.723 11.217 -5.553 1.00 71.10 H new ATOM 0 HD13 ILE A 43 1.168 11.262 -6.417 1.00 71.10 H new ATOM 683 N LYS A 44 4.517 15.290 -8.270 1.00 74.33 N ATOM 684 CA LYS A 44 5.230 16.374 -8.989 1.00 20.12 C ATOM 685 C LYS A 44 6.527 16.768 -8.251 1.00 62.50 C ATOM 686 O LYS A 44 7.546 17.073 -8.875 1.00 13.44 O ATOM 687 CB LYS A 44 4.319 17.624 -9.131 1.00 1.15 C ATOM 688 CG LYS A 44 2.973 17.366 -9.838 1.00 22.04 C ATOM 689 CD LYS A 44 3.134 16.874 -11.293 1.00 73.04 C ATOM 690 CE LYS A 44 1.788 16.522 -11.932 1.00 45.51 C ATOM 691 NZ LYS A 44 1.112 15.387 -11.239 1.00 24.10 N ATOM 0 H LYS A 44 3.583 15.554 -7.956 1.00 74.33 H new ATOM 0 HA LYS A 44 5.488 16.000 -9.980 1.00 20.12 H new ATOM 0 HB2 LYS A 44 4.120 18.026 -8.138 1.00 1.15 H new ATOM 0 HB3 LYS A 44 4.862 18.391 -9.683 1.00 1.15 H new ATOM 0 HG2 LYS A 44 2.409 16.625 -9.271 1.00 22.04 H new ATOM 0 HG3 LYS A 44 2.386 18.285 -9.835 1.00 22.04 H new ATOM 0 HD2 LYS A 44 3.625 17.647 -11.885 1.00 73.04 H new ATOM 0 HD3 LYS A 44 3.783 15.999 -11.310 1.00 73.04 H new ATOM 0 HE2 LYS A 44 1.138 17.397 -11.910 1.00 45.51 H new ATOM 0 HE3 LYS A 44 1.942 16.265 -12.980 1.00 45.51 H new ATOM 0 HZ1 LYS A 44 0.239 15.141 -11.747 1.00 24.10 H new ATOM 0 HZ2 LYS A 44 1.747 14.563 -11.222 1.00 24.10 H new ATOM 0 HZ3 LYS A 44 0.879 15.665 -10.264 1.00 24.10 H new ATOM 705 N ARG A 45 6.451 16.762 -6.915 1.00 53.33 N ATOM 706 CA ARG A 45 7.562 17.130 -6.026 1.00 70.12 C ATOM 707 C ARG A 45 8.559 15.961 -5.863 1.00 75.21 C ATOM 708 O ARG A 45 9.775 16.165 -5.922 1.00 65.53 O ATOM 709 CB ARG A 45 6.991 17.572 -4.654 1.00 50.33 C ATOM 710 CG ARG A 45 6.199 18.899 -4.670 1.00 62.13 C ATOM 711 CD ARG A 45 7.106 20.122 -4.877 1.00 23.31 C ATOM 712 NE ARG A 45 6.338 21.381 -4.911 1.00 64.12 N ATOM 713 CZ ARG A 45 6.825 22.601 -4.614 1.00 51.44 C ATOM 714 NH1 ARG A 45 8.100 22.766 -4.257 1.00 70.21 N ATOM 715 NH2 ARG A 45 6.019 23.652 -4.686 1.00 65.22 N ATOM 0 H ARG A 45 5.604 16.498 -6.412 1.00 53.33 H new ATOM 0 HA ARG A 45 8.113 17.960 -6.469 1.00 70.12 H new ATOM 0 HB2 ARG A 45 6.340 16.783 -4.278 1.00 50.33 H new ATOM 0 HB3 ARG A 45 7.816 17.668 -3.948 1.00 50.33 H new ATOM 0 HG2 ARG A 45 5.454 18.864 -5.465 1.00 62.13 H new ATOM 0 HG3 ARG A 45 5.658 19.007 -3.730 1.00 62.13 H new ATOM 0 HD2 ARG A 45 7.842 20.168 -4.074 1.00 23.31 H new ATOM 0 HD3 ARG A 45 7.659 20.009 -5.810 1.00 23.31 H new ATOM 0 HE ARG A 45 5.356 21.323 -5.182 1.00 64.12 H new ATOM 0 HH11 ARG A 45 8.724 21.960 -4.205 1.00 70.21 H new ATOM 0 HH12 ARG A 45 8.451 23.698 -4.036 1.00 70.21 H new ATOM 0 HH21 ARG A 45 5.045 23.530 -4.963 1.00 65.22 H new ATOM 0 HH22 ARG A 45 6.373 24.582 -4.464 1.00 65.22 H new ATOM 729 N ASN A 46 8.039 14.734 -5.656 1.00 14.24 N ATOM 730 CA ASN A 46 8.873 13.508 -5.547 1.00 13.34 C ATOM 731 C ASN A 46 8.625 12.570 -6.747 1.00 24.20 C ATOM 732 O ASN A 46 7.631 11.872 -6.771 1.00 33.44 O ATOM 733 CB ASN A 46 8.682 12.756 -4.165 1.00 15.24 C ATOM 734 CG ASN A 46 7.269 12.749 -3.536 1.00 44.22 C ATOM 735 OD1 ASN A 46 7.132 12.835 -2.310 1.00 22.45 O ATOM 736 ND2 ASN A 46 6.226 12.568 -4.320 1.00 63.33 N ATOM 0 H ASN A 46 7.039 14.560 -5.560 1.00 14.24 H new ATOM 0 HA ASN A 46 9.915 13.827 -5.573 1.00 13.34 H new ATOM 0 HB2 ASN A 46 8.993 11.720 -4.302 1.00 15.24 H new ATOM 0 HB3 ASN A 46 9.367 13.202 -3.444 1.00 15.24 H new ATOM 0 HD21 ASN A 46 5.292 12.497 -3.917 1.00 63.33 H new ATOM 0 HD22 ASN A 46 6.353 12.499 -5.330 1.00 63.33 H new ATOM 743 N PRO A 47 9.504 12.589 -7.808 1.00 73.15 N ATOM 744 CA PRO A 47 9.492 11.557 -8.888 1.00 32.01 C ATOM 745 C PRO A 47 10.017 10.162 -8.437 1.00 72.22 C ATOM 746 O PRO A 47 9.932 9.202 -9.203 1.00 60.01 O ATOM 747 CB PRO A 47 10.416 12.174 -9.976 1.00 62.31 C ATOM 748 CG PRO A 47 11.343 13.068 -9.210 1.00 33.35 C ATOM 749 CD PRO A 47 10.496 13.669 -8.108 1.00 25.33 C ATOM 0 HA PRO A 47 8.477 11.350 -9.226 1.00 32.01 H new ATOM 0 HB2 PRO A 47 10.964 11.402 -10.517 1.00 62.31 H new ATOM 0 HB3 PRO A 47 9.842 12.734 -10.714 1.00 62.31 H new ATOM 0 HG2 PRO A 47 12.182 12.506 -8.800 1.00 33.35 H new ATOM 0 HG3 PRO A 47 11.762 13.843 -9.852 1.00 33.35 H new ATOM 0 HD2 PRO A 47 11.094 13.920 -7.232 1.00 25.33 H new ATOM 0 HD3 PRO A 47 10.006 14.587 -8.433 1.00 25.33 H new ATOM 757 N LYS A 48 10.587 10.054 -7.216 1.00 15.41 N ATOM 758 CA LYS A 48 11.072 8.754 -6.665 1.00 63.42 C ATOM 759 C LYS A 48 10.154 8.256 -5.530 1.00 5.51 C ATOM 760 O LYS A 48 10.574 7.489 -4.658 1.00 54.42 O ATOM 761 CB LYS A 48 12.580 8.870 -6.229 1.00 33.20 C ATOM 762 CG LYS A 48 12.990 10.038 -5.275 1.00 45.33 C ATOM 763 CD LYS A 48 12.474 9.908 -3.817 1.00 0.51 C ATOM 764 CE LYS A 48 13.267 10.761 -2.808 1.00 42.12 C ATOM 765 NZ LYS A 48 13.300 12.205 -3.158 1.00 52.32 N ATOM 0 H LYS A 48 10.725 10.846 -6.589 1.00 15.41 H new ATOM 0 HA LYS A 48 11.026 7.998 -7.448 1.00 63.42 H new ATOM 0 HB2 LYS A 48 12.859 7.933 -5.746 1.00 33.20 H new ATOM 0 HB3 LYS A 48 13.182 8.954 -7.134 1.00 33.20 H new ATOM 0 HG2 LYS A 48 14.078 10.105 -5.255 1.00 45.33 H new ATOM 0 HG3 LYS A 48 12.621 10.975 -5.693 1.00 45.33 H new ATOM 0 HD2 LYS A 48 11.425 10.201 -3.783 1.00 0.51 H new ATOM 0 HD3 LYS A 48 12.523 8.862 -3.514 1.00 0.51 H new ATOM 0 HE2 LYS A 48 12.826 10.644 -1.818 1.00 42.12 H new ATOM 0 HE3 LYS A 48 14.288 10.385 -2.748 1.00 42.12 H new ATOM 0 HZ1 LYS A 48 13.848 12.723 -2.442 1.00 52.32 H new ATOM 0 HZ2 LYS A 48 13.746 12.326 -4.090 1.00 52.32 H new ATOM 0 HZ3 LYS A 48 12.329 12.577 -3.188 1.00 52.32 H new ATOM 779 N ASP A 49 8.884 8.648 -5.619 1.00 25.13 N ATOM 780 CA ASP A 49 7.870 8.482 -4.559 1.00 61.32 C ATOM 781 C ASP A 49 7.238 7.060 -4.507 1.00 21.11 C ATOM 782 O ASP A 49 6.038 6.903 -4.268 1.00 14.12 O ATOM 783 CB ASP A 49 6.788 9.547 -4.816 1.00 70.02 C ATOM 784 CG ASP A 49 5.911 9.255 -6.048 1.00 43.33 C ATOM 785 OD1 ASP A 49 6.411 9.366 -7.197 1.00 30.42 O ATOM 786 OD2 ASP A 49 4.743 8.882 -5.864 1.00 12.04 O ATOM 0 H ASP A 49 8.513 9.104 -6.452 1.00 25.13 H new ATOM 0 HA ASP A 49 8.351 8.606 -3.589 1.00 61.32 H new ATOM 0 HB2 ASP A 49 6.149 9.623 -3.936 1.00 70.02 H new ATOM 0 HB3 ASP A 49 7.269 10.517 -4.945 1.00 70.02 H new ATOM 791 N ALA A 50 8.063 6.030 -4.652 1.00 73.22 N ATOM 792 CA ALA A 50 7.605 4.630 -4.730 1.00 20.25 C ATOM 793 C ALA A 50 6.746 4.179 -3.522 1.00 23.54 C ATOM 794 O ALA A 50 5.838 3.351 -3.676 1.00 64.22 O ATOM 795 CB ALA A 50 8.818 3.740 -4.888 1.00 43.54 C ATOM 0 H ALA A 50 9.076 6.133 -4.720 1.00 73.22 H new ATOM 0 HA ALA A 50 6.944 4.547 -5.593 1.00 20.25 H new ATOM 0 HB1 ALA A 50 8.500 2.699 -4.948 1.00 43.54 H new ATOM 0 HB2 ALA A 50 9.351 4.010 -5.800 1.00 43.54 H new ATOM 0 HB3 ALA A 50 9.478 3.869 -4.030 1.00 43.54 H new ATOM 801 N LYS A 51 7.043 4.722 -2.326 1.00 74.51 N ATOM 802 CA LYS A 51 6.278 4.415 -1.101 1.00 11.43 C ATOM 803 C LYS A 51 4.958 5.233 -1.030 1.00 41.22 C ATOM 804 O LYS A 51 4.042 4.869 -0.298 1.00 31.41 O ATOM 805 CB LYS A 51 7.176 4.601 0.163 1.00 21.04 C ATOM 806 CG LYS A 51 7.543 6.058 0.574 1.00 32.03 C ATOM 807 CD LYS A 51 6.445 6.780 1.408 1.00 1.41 C ATOM 808 CE LYS A 51 6.038 6.017 2.686 1.00 73.34 C ATOM 809 NZ LYS A 51 7.148 5.939 3.665 1.00 33.35 N ATOM 0 H LYS A 51 7.810 5.378 -2.181 1.00 74.51 H new ATOM 0 HA LYS A 51 5.978 3.367 -1.132 1.00 11.43 H new ATOM 0 HB2 LYS A 51 6.672 4.130 1.007 1.00 21.04 H new ATOM 0 HB3 LYS A 51 8.104 4.053 0.000 1.00 21.04 H new ATOM 0 HG2 LYS A 51 8.468 6.039 1.150 1.00 32.03 H new ATOM 0 HG3 LYS A 51 7.740 6.639 -0.327 1.00 32.03 H new ATOM 0 HD2 LYS A 51 6.804 7.771 1.685 1.00 1.41 H new ATOM 0 HD3 LYS A 51 5.563 6.924 0.784 1.00 1.41 H new ATOM 0 HE2 LYS A 51 5.183 6.512 3.147 1.00 73.34 H new ATOM 0 HE3 LYS A 51 5.718 5.010 2.420 1.00 73.34 H new ATOM 0 HZ1 LYS A 51 6.831 5.419 4.508 1.00 33.35 H new ATOM 0 HZ2 LYS A 51 7.956 5.444 3.236 1.00 33.35 H new ATOM 0 HZ3 LYS A 51 7.437 6.900 3.939 1.00 33.35 H new ATOM 823 N LEU A 52 4.892 6.376 -1.752 1.00 41.32 N ATOM 824 CA LEU A 52 3.640 7.185 -1.880 1.00 32.10 C ATOM 825 C LEU A 52 2.598 6.410 -2.696 1.00 31.42 C ATOM 826 O LEU A 52 1.387 6.605 -2.532 1.00 10.11 O ATOM 827 CB LEU A 52 3.901 8.574 -2.558 1.00 34.34 C ATOM 828 CG LEU A 52 4.525 9.708 -1.677 1.00 75.41 C ATOM 829 CD1 LEU A 52 3.599 10.077 -0.505 1.00 71.41 C ATOM 830 CD2 LEU A 52 5.951 9.357 -1.191 1.00 11.44 C ATOM 0 H LEU A 52 5.687 6.765 -2.258 1.00 41.32 H new ATOM 0 HA LEU A 52 3.268 7.368 -0.872 1.00 32.10 H new ATOM 0 HB2 LEU A 52 4.559 8.412 -3.412 1.00 34.34 H new ATOM 0 HB3 LEU A 52 2.952 8.939 -2.952 1.00 34.34 H new ATOM 0 HG LEU A 52 4.622 10.588 -2.312 1.00 75.41 H new ATOM 0 HD11 LEU A 52 4.060 10.867 0.088 1.00 71.41 H new ATOM 0 HD12 LEU A 52 2.642 10.426 -0.893 1.00 71.41 H new ATOM 0 HD13 LEU A 52 3.438 9.200 0.122 1.00 71.41 H new ATOM 0 HD21 LEU A 52 6.340 10.175 -0.584 1.00 11.44 H new ATOM 0 HD22 LEU A 52 5.918 8.446 -0.594 1.00 11.44 H new ATOM 0 HD23 LEU A 52 6.601 9.203 -2.052 1.00 11.44 H new ATOM 842 N TYR A 53 3.097 5.547 -3.592 1.00 34.51 N ATOM 843 CA TYR A 53 2.269 4.616 -4.360 1.00 30.32 C ATOM 844 C TYR A 53 1.673 3.518 -3.444 1.00 73.13 C ATOM 845 O TYR A 53 0.595 3.008 -3.723 1.00 31.23 O ATOM 846 CB TYR A 53 3.087 4.026 -5.535 1.00 62.10 C ATOM 847 CG TYR A 53 3.554 5.080 -6.562 1.00 72.22 C ATOM 848 CD1 TYR A 53 2.676 6.071 -7.016 1.00 54.24 C ATOM 849 CD2 TYR A 53 4.854 5.084 -7.084 1.00 11.13 C ATOM 850 CE1 TYR A 53 3.067 7.015 -7.939 1.00 23.42 C ATOM 851 CE2 TYR A 53 5.252 6.036 -8.009 1.00 65.23 C ATOM 852 CZ TYR A 53 4.349 6.999 -8.429 1.00 42.53 C ATOM 853 OH TYR A 53 4.738 7.958 -9.344 1.00 33.03 O ATOM 0 H TYR A 53 4.093 5.477 -3.803 1.00 34.51 H new ATOM 0 HA TYR A 53 1.424 5.157 -4.786 1.00 30.32 H new ATOM 0 HB2 TYR A 53 3.960 3.511 -5.135 1.00 62.10 H new ATOM 0 HB3 TYR A 53 2.482 3.277 -6.047 1.00 62.10 H new ATOM 0 HD1 TYR A 53 1.667 6.096 -6.633 1.00 54.24 H new ATOM 0 HD2 TYR A 53 5.558 4.332 -6.760 1.00 11.13 H new ATOM 0 HE1 TYR A 53 2.367 7.765 -8.276 1.00 23.42 H new ATOM 0 HE2 TYR A 53 6.259 6.027 -8.400 1.00 65.23 H new ATOM 0 HH TYR A 53 5.331 8.605 -8.908 1.00 33.03 H new ATOM 863 N SER A 54 2.355 3.205 -2.323 1.00 53.24 N ATOM 864 CA SER A 54 1.799 2.316 -1.277 1.00 20.51 C ATOM 865 C SER A 54 0.544 2.961 -0.634 1.00 14.50 C ATOM 866 O SER A 54 -0.413 2.264 -0.282 1.00 43.41 O ATOM 867 CB SER A 54 2.861 2.019 -0.195 1.00 70.34 C ATOM 868 OG SER A 54 4.049 1.486 -0.759 1.00 64.41 O ATOM 0 H SER A 54 3.291 3.554 -2.117 1.00 53.24 H new ATOM 0 HA SER A 54 1.509 1.375 -1.744 1.00 20.51 H new ATOM 0 HB2 SER A 54 3.095 2.935 0.347 1.00 70.34 H new ATOM 0 HB3 SER A 54 2.454 1.314 0.530 1.00 70.34 H new ATOM 0 HG SER A 54 4.699 1.311 -0.047 1.00 64.41 H new ATOM 874 N ASN A 55 0.580 4.308 -0.505 1.00 21.13 N ATOM 875 CA ASN A 55 -0.547 5.121 0.011 1.00 3.02 C ATOM 876 C ASN A 55 -1.680 5.206 -1.032 1.00 71.40 C ATOM 877 O ASN A 55 -2.859 5.260 -0.678 1.00 51.21 O ATOM 878 CB ASN A 55 -0.079 6.559 0.381 1.00 22.34 C ATOM 879 CG ASN A 55 0.984 6.625 1.481 1.00 3.24 C ATOM 880 OD1 ASN A 55 1.806 5.719 1.642 1.00 11.52 O ATOM 881 ND2 ASN A 55 0.984 7.715 2.239 1.00 5.01 N ATOM 0 H ASN A 55 1.397 4.865 -0.757 1.00 21.13 H new ATOM 0 HA ASN A 55 -0.920 4.629 0.910 1.00 3.02 H new ATOM 0 HB2 ASN A 55 0.315 7.040 -0.515 1.00 22.34 H new ATOM 0 HB3 ASN A 55 -0.946 7.138 0.698 1.00 22.34 H new ATOM 0 HD21 ASN A 55 1.677 7.821 2.980 1.00 5.01 H new ATOM 0 HD22 ASN A 55 0.291 8.446 2.081 1.00 5.01 H new ATOM 888 N ARG A 56 -1.291 5.228 -2.319 1.00 55.35 N ATOM 889 CA ARG A 56 -2.223 5.303 -3.456 1.00 60.13 C ATOM 890 C ARG A 56 -3.035 3.989 -3.562 1.00 11.30 C ATOM 891 O ARG A 56 -4.255 4.016 -3.745 1.00 20.50 O ATOM 892 CB ARG A 56 -1.407 5.586 -4.745 1.00 12.32 C ATOM 893 CG ARG A 56 -2.234 5.853 -6.018 1.00 55.30 C ATOM 894 CD ARG A 56 -1.348 6.006 -7.274 1.00 53.05 C ATOM 895 NE ARG A 56 -0.470 4.839 -7.478 1.00 43.20 N ATOM 896 CZ ARG A 56 0.204 4.538 -8.606 1.00 1.21 C ATOM 897 NH1 ARG A 56 0.125 5.298 -9.703 1.00 4.23 N ATOM 898 NH2 ARG A 56 1.007 3.487 -8.600 1.00 20.15 N ATOM 0 H ARG A 56 -0.311 5.194 -2.601 1.00 55.35 H new ATOM 0 HA ARG A 56 -2.939 6.112 -3.313 1.00 60.13 H new ATOM 0 HB2 ARG A 56 -0.765 6.448 -4.564 1.00 12.32 H new ATOM 0 HB3 ARG A 56 -0.752 4.735 -4.932 1.00 12.32 H new ATOM 0 HG2 ARG A 56 -2.937 5.034 -6.170 1.00 55.30 H new ATOM 0 HG3 ARG A 56 -2.825 6.759 -5.881 1.00 55.30 H new ATOM 0 HD2 ARG A 56 -1.982 6.140 -8.150 1.00 53.05 H new ATOM 0 HD3 ARG A 56 -0.739 6.905 -7.181 1.00 53.05 H new ATOM 0 HE ARG A 56 -0.362 4.199 -6.691 1.00 43.20 H new ATOM 0 HH11 ARG A 56 -0.459 6.135 -9.703 1.00 4.23 H new ATOM 0 HH12 ARG A 56 0.648 5.041 -10.540 1.00 4.23 H new ATOM 0 HH21 ARG A 56 1.105 2.925 -7.754 1.00 20.15 H new ATOM 0 HH22 ARG A 56 1.528 3.238 -9.441 1.00 20.15 H new ATOM 912 N ALA A 57 -2.334 2.848 -3.402 1.00 30.11 N ATOM 913 CA ALA A 57 -2.950 1.509 -3.294 1.00 33.33 C ATOM 914 C ALA A 57 -3.833 1.409 -2.038 1.00 71.14 C ATOM 915 O ALA A 57 -4.906 0.791 -2.061 1.00 74.01 O ATOM 916 CB ALA A 57 -1.861 0.424 -3.274 1.00 42.13 C ATOM 0 H ALA A 57 -1.316 2.830 -3.344 1.00 30.11 H new ATOM 0 HA ALA A 57 -3.585 1.353 -4.166 1.00 33.33 H new ATOM 0 HB1 ALA A 57 -2.327 -0.558 -3.194 1.00 42.13 H new ATOM 0 HB2 ALA A 57 -1.279 0.476 -4.194 1.00 42.13 H new ATOM 0 HB3 ALA A 57 -1.204 0.584 -2.419 1.00 42.13 H new ATOM 922 N ALA A 58 -3.366 2.053 -0.948 1.00 31.02 N ATOM 923 CA ALA A 58 -4.096 2.142 0.329 1.00 53.03 C ATOM 924 C ALA A 58 -5.363 3.007 0.203 1.00 52.04 C ATOM 925 O ALA A 58 -6.250 2.930 1.055 1.00 72.03 O ATOM 926 CB ALA A 58 -3.177 2.684 1.428 1.00 34.22 C ATOM 0 H ALA A 58 -2.464 2.529 -0.932 1.00 31.02 H new ATOM 0 HA ALA A 58 -4.416 1.136 0.601 1.00 53.03 H new ATOM 0 HB1 ALA A 58 -3.728 2.745 2.366 1.00 34.22 H new ATOM 0 HB2 ALA A 58 -2.324 2.017 1.551 1.00 34.22 H new ATOM 0 HB3 ALA A 58 -2.824 3.677 1.150 1.00 34.22 H new ATOM 932 N CYS A 59 -5.423 3.847 -0.846 1.00 42.22 N ATOM 933 CA CYS A 59 -6.652 4.559 -1.225 1.00 72.30 C ATOM 934 C CYS A 59 -7.574 3.610 -2.024 1.00 50.04 C ATOM 935 O CYS A 59 -8.736 3.404 -1.644 1.00 33.04 O ATOM 936 CB CYS A 59 -6.319 5.832 -2.045 1.00 0.33 C ATOM 937 SG CYS A 59 -5.287 7.024 -1.164 1.00 52.43 S ATOM 0 H CYS A 59 -4.626 4.049 -1.450 1.00 42.22 H new ATOM 0 HA CYS A 59 -7.173 4.877 -0.322 1.00 72.30 H new ATOM 0 HB2 CYS A 59 -5.812 5.538 -2.964 1.00 0.33 H new ATOM 0 HB3 CYS A 59 -7.250 6.318 -2.336 1.00 0.33 H new ATOM 0 HG CYS A 59 -4.222 6.428 -0.715 1.00 52.43 H new ATOM 943 N TYR A 60 -6.999 2.981 -3.087 1.00 51.34 N ATOM 944 CA TYR A 60 -7.731 2.095 -4.038 1.00 22.01 C ATOM 945 C TYR A 60 -8.487 0.951 -3.351 1.00 35.10 C ATOM 946 O TYR A 60 -9.484 0.468 -3.882 1.00 13.23 O ATOM 947 CB TYR A 60 -6.767 1.505 -5.104 1.00 60.43 C ATOM 948 CG TYR A 60 -6.194 2.537 -6.079 1.00 12.31 C ATOM 949 CD1 TYR A 60 -6.981 3.590 -6.554 1.00 52.44 C ATOM 950 CD2 TYR A 60 -4.878 2.452 -6.537 1.00 22.51 C ATOM 951 CE1 TYR A 60 -6.472 4.517 -7.434 1.00 14.44 C ATOM 952 CE2 TYR A 60 -4.369 3.379 -7.420 1.00 54.21 C ATOM 953 CZ TYR A 60 -5.168 4.410 -7.863 1.00 65.33 C ATOM 954 OH TYR A 60 -4.652 5.351 -8.734 1.00 0.45 O ATOM 0 H TYR A 60 -6.008 3.075 -3.310 1.00 51.34 H new ATOM 0 HA TYR A 60 -8.473 2.733 -4.517 1.00 22.01 H new ATOM 0 HB2 TYR A 60 -5.942 1.007 -4.594 1.00 60.43 H new ATOM 0 HB3 TYR A 60 -7.297 0.741 -5.673 1.00 60.43 H new ATOM 0 HD1 TYR A 60 -8.006 3.677 -6.225 1.00 52.44 H new ATOM 0 HD2 TYR A 60 -4.248 1.645 -6.193 1.00 22.51 H new ATOM 0 HE1 TYR A 60 -7.094 5.326 -7.787 1.00 14.44 H new ATOM 0 HE2 TYR A 60 -3.348 3.298 -7.763 1.00 54.21 H new ATOM 0 HH TYR A 60 -4.931 6.247 -8.451 1.00 0.45 H new ATOM 964 N THR A 61 -7.997 0.516 -2.184 1.00 21.05 N ATOM 965 CA THR A 61 -8.685 -0.488 -1.362 1.00 2.32 C ATOM 966 C THR A 61 -10.087 0.024 -0.935 1.00 51.14 C ATOM 967 O THR A 61 -11.096 -0.650 -1.174 1.00 73.14 O ATOM 968 CB THR A 61 -7.815 -0.881 -0.120 1.00 1.22 C ATOM 969 OG1 THR A 61 -7.409 0.298 0.588 1.00 12.25 O ATOM 970 CG2 THR A 61 -6.560 -1.683 -0.516 1.00 61.13 C ATOM 0 H THR A 61 -7.119 0.847 -1.785 1.00 21.05 H new ATOM 0 HA THR A 61 -8.827 -1.387 -1.961 1.00 2.32 H new ATOM 0 HB THR A 61 -8.435 -1.513 0.516 1.00 1.22 H new ATOM 0 HG1 THR A 61 -6.867 0.043 1.364 1.00 12.25 H new ATOM 0 HG21 THR A 61 -5.990 -1.932 0.379 1.00 61.13 H new ATOM 0 HG22 THR A 61 -6.859 -2.601 -1.022 1.00 61.13 H new ATOM 0 HG23 THR A 61 -5.942 -1.084 -1.185 1.00 61.13 H new ATOM 978 N LYS A 62 -10.140 1.273 -0.409 1.00 2.44 N ATOM 979 CA LYS A 62 -11.407 1.899 0.070 1.00 74.13 C ATOM 980 C LYS A 62 -12.316 2.239 -1.118 1.00 50.44 C ATOM 981 O LYS A 62 -13.541 2.293 -0.993 1.00 41.21 O ATOM 982 CB LYS A 62 -11.147 3.195 0.904 1.00 61.14 C ATOM 983 CG LYS A 62 -10.587 2.978 2.331 1.00 13.45 C ATOM 984 CD LYS A 62 -9.164 2.391 2.331 1.00 60.04 C ATOM 985 CE LYS A 62 -8.524 2.347 3.720 1.00 63.44 C ATOM 986 NZ LYS A 62 -7.167 1.748 3.666 1.00 52.45 N ATOM 0 H LYS A 62 -9.320 1.871 -0.304 1.00 2.44 H new ATOM 0 HA LYS A 62 -11.895 1.171 0.718 1.00 74.13 H new ATOM 0 HB2 LYS A 62 -10.449 3.825 0.352 1.00 61.14 H new ATOM 0 HB3 LYS A 62 -12.083 3.748 0.982 1.00 61.14 H new ATOM 0 HG2 LYS A 62 -10.583 3.929 2.863 1.00 13.45 H new ATOM 0 HG3 LYS A 62 -11.251 2.309 2.879 1.00 13.45 H new ATOM 0 HD2 LYS A 62 -9.196 1.381 1.922 1.00 60.04 H new ATOM 0 HD3 LYS A 62 -8.534 2.984 1.668 1.00 60.04 H new ATOM 0 HE2 LYS A 62 -8.463 3.356 4.128 1.00 63.44 H new ATOM 0 HE3 LYS A 62 -9.154 1.768 4.395 1.00 63.44 H new ATOM 0 HZ1 LYS A 62 -6.619 2.055 4.495 1.00 52.45 H new ATOM 0 HZ2 LYS A 62 -7.245 0.711 3.667 1.00 52.45 H new ATOM 0 HZ3 LYS A 62 -6.685 2.058 2.798 1.00 52.45 H new ATOM 1000 N LEU A 63 -11.684 2.475 -2.269 1.00 63.35 N ATOM 1001 CA LEU A 63 -12.367 2.803 -3.524 1.00 42.00 C ATOM 1002 C LEU A 63 -12.764 1.517 -4.285 1.00 5.24 C ATOM 1003 O LEU A 63 -13.349 1.606 -5.371 1.00 74.35 O ATOM 1004 CB LEU A 63 -11.428 3.716 -4.368 1.00 13.33 C ATOM 1005 CG LEU A 63 -10.887 4.988 -3.627 1.00 13.23 C ATOM 1006 CD1 LEU A 63 -9.880 5.777 -4.491 1.00 52.44 C ATOM 1007 CD2 LEU A 63 -12.042 5.889 -3.139 1.00 22.02 C ATOM 0 H LEU A 63 -10.668 2.443 -2.358 1.00 63.35 H new ATOM 0 HA LEU A 63 -13.294 3.339 -3.321 1.00 42.00 H new ATOM 0 HB2 LEU A 63 -10.578 3.123 -4.704 1.00 13.33 H new ATOM 0 HB3 LEU A 63 -11.966 4.037 -5.260 1.00 13.33 H new ATOM 0 HG LEU A 63 -10.346 4.640 -2.747 1.00 13.23 H new ATOM 0 HD11 LEU A 63 -9.532 6.649 -3.938 1.00 52.44 H new ATOM 0 HD12 LEU A 63 -9.031 5.139 -4.734 1.00 52.44 H new ATOM 0 HD13 LEU A 63 -10.366 6.101 -5.411 1.00 52.44 H new ATOM 0 HD21 LEU A 63 -11.633 6.761 -2.630 1.00 22.02 H new ATOM 0 HD22 LEU A 63 -12.636 6.213 -3.993 1.00 22.02 H new ATOM 0 HD23 LEU A 63 -12.673 5.329 -2.449 1.00 22.02 H new ATOM 1019 N LEU A 64 -12.429 0.324 -3.696 1.00 12.24 N ATOM 1020 CA LEU A 64 -12.737 -1.025 -4.256 1.00 52.25 C ATOM 1021 C LEU A 64 -11.964 -1.327 -5.559 1.00 24.24 C ATOM 1022 O LEU A 64 -12.172 -2.373 -6.179 1.00 33.42 O ATOM 1023 CB LEU A 64 -14.277 -1.263 -4.440 1.00 4.04 C ATOM 1024 CG LEU A 64 -15.111 -1.580 -3.148 1.00 50.45 C ATOM 1025 CD1 LEU A 64 -14.581 -2.841 -2.430 1.00 62.30 C ATOM 1026 CD2 LEU A 64 -15.172 -0.372 -2.187 1.00 11.31 C ATOM 0 H LEU A 64 -11.931 0.278 -2.807 1.00 12.24 H new ATOM 0 HA LEU A 64 -12.386 -1.736 -3.508 1.00 52.25 H new ATOM 0 HB2 LEU A 64 -14.703 -0.376 -4.908 1.00 4.04 H new ATOM 0 HB3 LEU A 64 -14.411 -2.088 -5.140 1.00 4.04 H new ATOM 0 HG LEU A 64 -16.132 -1.785 -3.471 1.00 50.45 H new ATOM 0 HD11 LEU A 64 -15.181 -3.032 -1.540 1.00 62.30 H new ATOM 0 HD12 LEU A 64 -14.646 -3.697 -3.102 1.00 62.30 H new ATOM 0 HD13 LEU A 64 -13.542 -2.685 -2.141 1.00 62.30 H new ATOM 0 HD21 LEU A 64 -15.759 -0.636 -1.307 1.00 11.31 H new ATOM 0 HD22 LEU A 64 -14.162 -0.099 -1.881 1.00 11.31 H new ATOM 0 HD23 LEU A 64 -15.638 0.473 -2.694 1.00 11.31 H new ATOM 1038 N GLU A 65 -11.032 -0.438 -5.928 1.00 12.04 N ATOM 1039 CA GLU A 65 -10.215 -0.548 -7.145 1.00 71.54 C ATOM 1040 C GLU A 65 -8.937 -1.365 -6.858 1.00 22.45 C ATOM 1041 O GLU A 65 -7.824 -0.957 -7.219 1.00 53.41 O ATOM 1042 CB GLU A 65 -9.871 0.884 -7.649 1.00 62.41 C ATOM 1043 CG GLU A 65 -11.100 1.773 -7.902 1.00 34.23 C ATOM 1044 CD GLU A 65 -10.745 3.169 -8.434 1.00 31.31 C ATOM 1045 OE1 GLU A 65 -10.414 4.062 -7.625 1.00 54.40 O ATOM 1046 OE2 GLU A 65 -10.790 3.379 -9.669 1.00 24.45 O ATOM 0 H GLU A 65 -10.820 0.395 -5.378 1.00 12.04 H new ATOM 0 HA GLU A 65 -10.770 -1.073 -7.922 1.00 71.54 H new ATOM 0 HB2 GLU A 65 -9.229 1.371 -6.915 1.00 62.41 H new ATOM 0 HB3 GLU A 65 -9.297 0.804 -8.572 1.00 62.41 H new ATOM 0 HG2 GLU A 65 -11.757 1.277 -8.616 1.00 34.23 H new ATOM 0 HG3 GLU A 65 -11.660 1.878 -6.973 1.00 34.23 H new ATOM 1053 N PHE A 66 -9.118 -2.551 -6.238 1.00 13.14 N ATOM 1054 CA PHE A 66 -8.016 -3.477 -5.900 1.00 51.53 C ATOM 1055 C PHE A 66 -7.224 -3.897 -7.154 1.00 20.40 C ATOM 1056 O PHE A 66 -6.052 -4.219 -7.048 1.00 54.02 O ATOM 1057 CB PHE A 66 -8.554 -4.736 -5.177 1.00 2.23 C ATOM 1058 CG PHE A 66 -9.112 -4.488 -3.772 1.00 72.33 C ATOM 1059 CD1 PHE A 66 -10.429 -4.072 -3.578 1.00 64.23 C ATOM 1060 CD2 PHE A 66 -8.317 -4.695 -2.640 1.00 53.22 C ATOM 1061 CE1 PHE A 66 -10.929 -3.871 -2.304 1.00 42.33 C ATOM 1062 CE2 PHE A 66 -8.821 -4.498 -1.369 1.00 43.40 C ATOM 1063 CZ PHE A 66 -10.125 -4.084 -1.200 1.00 64.34 C ATOM 0 H PHE A 66 -10.036 -2.894 -5.957 1.00 13.14 H new ATOM 0 HA PHE A 66 -7.342 -2.942 -5.231 1.00 51.53 H new ATOM 0 HB2 PHE A 66 -9.338 -5.181 -5.790 1.00 2.23 H new ATOM 0 HB3 PHE A 66 -7.750 -5.468 -5.108 1.00 2.23 H new ATOM 0 HD1 PHE A 66 -11.067 -3.905 -4.433 1.00 64.23 H new ATOM 0 HD2 PHE A 66 -7.292 -5.014 -2.762 1.00 53.22 H new ATOM 0 HE1 PHE A 66 -11.951 -3.547 -2.172 1.00 42.33 H new ATOM 0 HE2 PHE A 66 -8.193 -4.668 -0.507 1.00 43.40 H new ATOM 0 HZ PHE A 66 -10.518 -3.926 -0.206 1.00 64.34 H new ATOM 1073 N GLN A 67 -7.891 -3.857 -8.331 1.00 11.40 N ATOM 1074 CA GLN A 67 -7.252 -4.098 -9.640 1.00 22.51 C ATOM 1075 C GLN A 67 -6.099 -3.111 -9.867 1.00 43.13 C ATOM 1076 O GLN A 67 -5.019 -3.490 -10.335 1.00 3.10 O ATOM 1077 CB GLN A 67 -8.283 -3.945 -10.789 1.00 73.41 C ATOM 1078 CG GLN A 67 -9.527 -4.836 -10.666 1.00 13.24 C ATOM 1079 CD GLN A 67 -9.208 -6.337 -10.654 1.00 42.12 C ATOM 1080 OE1 GLN A 67 -9.180 -6.991 -11.695 1.00 74.44 O ATOM 1081 NE2 GLN A 67 -8.958 -6.891 -9.478 1.00 61.44 N ATOM 0 H GLN A 67 -8.889 -3.656 -8.397 1.00 11.40 H new ATOM 0 HA GLN A 67 -6.863 -5.116 -9.638 1.00 22.51 H new ATOM 0 HB2 GLN A 67 -8.603 -2.904 -10.834 1.00 73.41 H new ATOM 0 HB3 GLN A 67 -7.787 -4.167 -11.734 1.00 73.41 H new ATOM 0 HG2 GLN A 67 -10.059 -4.579 -9.750 1.00 13.24 H new ATOM 0 HG3 GLN A 67 -10.200 -4.623 -11.496 1.00 13.24 H new ATOM 0 HE21 GLN A 67 -8.988 -6.324 -8.630 1.00 61.44 H new ATOM 0 HE22 GLN A 67 -8.735 -7.885 -9.419 1.00 61.44 H new ATOM 1090 N LEU A 68 -6.354 -1.838 -9.499 1.00 21.43 N ATOM 1091 CA LEU A 68 -5.366 -0.770 -9.620 1.00 13.23 C ATOM 1092 C LEU A 68 -4.285 -0.952 -8.549 1.00 11.44 C ATOM 1093 O LEU A 68 -3.126 -0.741 -8.831 1.00 53.20 O ATOM 1094 CB LEU A 68 -6.029 0.627 -9.497 1.00 14.31 C ATOM 1095 CG LEU A 68 -7.191 0.946 -10.493 1.00 13.24 C ATOM 1096 CD1 LEU A 68 -7.593 2.431 -10.409 1.00 34.55 C ATOM 1097 CD2 LEU A 68 -6.845 0.535 -11.937 1.00 2.11 C ATOM 0 H LEU A 68 -7.248 -1.533 -9.113 1.00 21.43 H new ATOM 0 HA LEU A 68 -4.909 -0.828 -10.608 1.00 13.23 H new ATOM 0 HB2 LEU A 68 -6.413 0.733 -8.482 1.00 14.31 H new ATOM 0 HB3 LEU A 68 -5.254 1.383 -9.625 1.00 14.31 H new ATOM 0 HG LEU A 68 -8.051 0.346 -10.194 1.00 13.24 H new ATOM 0 HD11 LEU A 68 -8.403 2.629 -11.111 1.00 34.55 H new ATOM 0 HD12 LEU A 68 -7.926 2.661 -9.397 1.00 34.55 H new ATOM 0 HD13 LEU A 68 -6.735 3.055 -10.660 1.00 34.55 H new ATOM 0 HD21 LEU A 68 -7.681 0.775 -12.594 1.00 2.11 H new ATOM 0 HD22 LEU A 68 -5.958 1.075 -12.266 1.00 2.11 H new ATOM 0 HD23 LEU A 68 -6.651 -0.537 -11.974 1.00 2.11 H new ATOM 1109 N ALA A 69 -4.706 -1.403 -7.342 1.00 44.45 N ATOM 1110 CA ALA A 69 -3.806 -1.649 -6.189 1.00 2.21 C ATOM 1111 C ALA A 69 -2.809 -2.809 -6.450 1.00 3.14 C ATOM 1112 O ALA A 69 -1.695 -2.795 -5.917 1.00 52.03 O ATOM 1113 CB ALA A 69 -4.630 -1.913 -4.916 1.00 23.05 C ATOM 0 H ALA A 69 -5.685 -1.607 -7.140 1.00 44.45 H new ATOM 0 HA ALA A 69 -3.209 -0.748 -6.047 1.00 2.21 H new ATOM 0 HB1 ALA A 69 -3.957 -2.092 -4.078 1.00 23.05 H new ATOM 0 HB2 ALA A 69 -5.255 -1.046 -4.701 1.00 23.05 H new ATOM 0 HB3 ALA A 69 -5.262 -2.788 -5.067 1.00 23.05 H new ATOM 1119 N LEU A 70 -3.223 -3.805 -7.267 1.00 4.41 N ATOM 1120 CA LEU A 70 -2.347 -4.928 -7.686 1.00 1.54 C ATOM 1121 C LEU A 70 -1.181 -4.398 -8.554 1.00 10.13 C ATOM 1122 O LEU A 70 0.002 -4.497 -8.183 1.00 1.12 O ATOM 1123 CB LEU A 70 -3.170 -6.006 -8.472 1.00 63.15 C ATOM 1124 CG LEU A 70 -4.310 -6.746 -7.686 1.00 2.55 C ATOM 1125 CD1 LEU A 70 -5.169 -7.628 -8.621 1.00 42.53 C ATOM 1126 CD2 LEU A 70 -3.749 -7.579 -6.517 1.00 44.15 C ATOM 0 H LEU A 70 -4.166 -3.855 -7.653 1.00 4.41 H new ATOM 0 HA LEU A 70 -1.934 -5.398 -6.794 1.00 1.54 H new ATOM 0 HB2 LEU A 70 -3.616 -5.524 -9.342 1.00 63.15 H new ATOM 0 HB3 LEU A 70 -2.474 -6.757 -8.846 1.00 63.15 H new ATOM 0 HG LEU A 70 -4.955 -5.974 -7.267 1.00 2.55 H new ATOM 0 HD11 LEU A 70 -5.947 -8.124 -8.040 1.00 42.53 H new ATOM 0 HD12 LEU A 70 -5.630 -7.005 -9.387 1.00 42.53 H new ATOM 0 HD13 LEU A 70 -4.537 -8.378 -9.096 1.00 42.53 H new ATOM 0 HD21 LEU A 70 -4.569 -8.076 -5.998 1.00 44.15 H new ATOM 0 HD22 LEU A 70 -3.057 -8.328 -6.903 1.00 44.15 H new ATOM 0 HD23 LEU A 70 -3.224 -6.924 -5.822 1.00 44.15 H new ATOM 1138 N LYS A 71 -1.546 -3.778 -9.695 1.00 14.03 N ATOM 1139 CA LYS A 71 -0.572 -3.237 -10.670 1.00 72.24 C ATOM 1140 C LYS A 71 0.167 -2.003 -10.122 1.00 64.44 C ATOM 1141 O LYS A 71 1.240 -1.654 -10.618 1.00 20.41 O ATOM 1142 CB LYS A 71 -1.274 -2.919 -12.011 1.00 40.13 C ATOM 1143 CG LYS A 71 -2.440 -1.906 -11.913 1.00 40.30 C ATOM 1144 CD LYS A 71 -3.118 -1.628 -13.273 1.00 65.23 C ATOM 1145 CE LYS A 71 -3.638 -2.902 -13.965 1.00 61.34 C ATOM 1146 NZ LYS A 71 -4.635 -3.638 -13.138 1.00 31.03 N ATOM 0 H LYS A 71 -2.519 -3.638 -9.967 1.00 14.03 H new ATOM 0 HA LYS A 71 0.182 -4.004 -10.846 1.00 72.24 H new ATOM 0 HB2 LYS A 71 -0.533 -2.531 -12.709 1.00 40.13 H new ATOM 0 HB3 LYS A 71 -1.654 -3.849 -12.434 1.00 40.13 H new ATOM 0 HG2 LYS A 71 -3.185 -2.285 -11.213 1.00 40.30 H new ATOM 0 HG3 LYS A 71 -2.065 -0.968 -11.502 1.00 40.30 H new ATOM 0 HD2 LYS A 71 -3.949 -0.939 -13.123 1.00 65.23 H new ATOM 0 HD3 LYS A 71 -2.406 -1.130 -13.931 1.00 65.23 H new ATOM 0 HE2 LYS A 71 -4.091 -2.633 -14.919 1.00 61.34 H new ATOM 0 HE3 LYS A 71 -2.797 -3.560 -14.185 1.00 61.34 H new ATOM 0 HZ1 LYS A 71 -4.299 -4.608 -12.970 1.00 31.03 H new ATOM 0 HZ2 LYS A 71 -4.757 -3.151 -12.227 1.00 31.03 H new ATOM 0 HZ3 LYS A 71 -5.546 -3.669 -13.639 1.00 31.03 H new ATOM 1160 N ASP A 72 -0.425 -1.372 -9.088 1.00 13.33 N ATOM 1161 CA ASP A 72 0.213 -0.292 -8.306 1.00 41.32 C ATOM 1162 C ASP A 72 1.484 -0.848 -7.656 1.00 43.03 C ATOM 1163 O ASP A 72 2.561 -0.254 -7.757 1.00 72.42 O ATOM 1164 CB ASP A 72 -0.768 0.220 -7.210 1.00 44.33 C ATOM 1165 CG ASP A 72 -0.371 1.522 -6.504 1.00 4.35 C ATOM 1166 OD1 ASP A 72 0.825 1.746 -6.254 1.00 44.41 O ATOM 1167 OD2 ASP A 72 -1.262 2.346 -6.205 1.00 60.13 O ATOM 0 H ASP A 72 -1.367 -1.599 -8.769 1.00 13.33 H new ATOM 0 HA ASP A 72 0.466 0.543 -8.960 1.00 41.32 H new ATOM 0 HB2 ASP A 72 -1.748 0.362 -7.666 1.00 44.33 H new ATOM 0 HB3 ASP A 72 -0.877 -0.560 -6.456 1.00 44.33 H new ATOM 1172 N CYS A 73 1.331 -2.011 -7.009 1.00 61.44 N ATOM 1173 CA CYS A 73 2.435 -2.721 -6.380 1.00 20.43 C ATOM 1174 C CYS A 73 3.445 -3.198 -7.438 1.00 2.51 C ATOM 1175 O CYS A 73 4.661 -3.104 -7.230 1.00 13.24 O ATOM 1176 CB CYS A 73 1.892 -3.906 -5.558 1.00 21.24 C ATOM 1177 SG CYS A 73 0.715 -3.414 -4.277 1.00 52.31 S ATOM 0 H CYS A 73 0.431 -2.482 -6.911 1.00 61.44 H new ATOM 0 HA CYS A 73 2.957 -2.042 -5.706 1.00 20.43 H new ATOM 0 HB2 CYS A 73 1.409 -4.614 -6.231 1.00 21.24 H new ATOM 0 HB3 CYS A 73 2.728 -4.428 -5.092 1.00 21.24 H new ATOM 0 HG CYS A 73 -0.305 -2.825 -4.828 1.00 52.31 H new ATOM 1183 N GLU A 74 2.926 -3.701 -8.579 1.00 63.14 N ATOM 1184 CA GLU A 74 3.776 -4.240 -9.664 1.00 23.34 C ATOM 1185 C GLU A 74 4.656 -3.156 -10.341 1.00 34.12 C ATOM 1186 O GLU A 74 5.735 -3.476 -10.857 1.00 72.13 O ATOM 1187 CB GLU A 74 2.925 -4.990 -10.723 1.00 1.14 C ATOM 1188 CG GLU A 74 1.997 -6.085 -10.147 1.00 74.41 C ATOM 1189 CD GLU A 74 2.696 -7.038 -9.154 1.00 22.15 C ATOM 1190 OE1 GLU A 74 3.377 -7.988 -9.603 1.00 40.24 O ATOM 1191 OE2 GLU A 74 2.564 -6.841 -7.923 1.00 2.14 O ATOM 0 H GLU A 74 1.926 -3.745 -8.773 1.00 63.14 H new ATOM 0 HA GLU A 74 4.456 -4.949 -9.192 1.00 23.34 H new ATOM 0 HB2 GLU A 74 2.317 -4.263 -11.262 1.00 1.14 H new ATOM 0 HB3 GLU A 74 3.595 -5.447 -11.451 1.00 1.14 H new ATOM 0 HG2 GLU A 74 1.155 -5.607 -9.646 1.00 74.41 H new ATOM 0 HG3 GLU A 74 1.587 -6.670 -10.970 1.00 74.41 H new ATOM 1198 N GLU A 75 4.208 -1.884 -10.351 1.00 20.24 N ATOM 1199 CA GLU A 75 5.001 -0.777 -10.940 1.00 41.22 C ATOM 1200 C GLU A 75 5.990 -0.185 -9.905 1.00 30.45 C ATOM 1201 O GLU A 75 7.181 -0.030 -10.199 1.00 73.13 O ATOM 1202 CB GLU A 75 4.084 0.331 -11.541 1.00 41.12 C ATOM 1203 CG GLU A 75 3.127 0.995 -10.541 1.00 24.23 C ATOM 1204 CD GLU A 75 2.269 2.108 -11.144 1.00 61.44 C ATOM 1205 OE1 GLU A 75 1.176 1.820 -11.676 1.00 74.21 O ATOM 1206 OE2 GLU A 75 2.679 3.289 -11.076 1.00 55.21 O ATOM 0 H GLU A 75 3.310 -1.596 -9.963 1.00 20.24 H new ATOM 0 HA GLU A 75 5.585 -1.195 -11.760 1.00 41.22 H new ATOM 0 HB2 GLU A 75 4.714 1.102 -11.984 1.00 41.12 H new ATOM 0 HB3 GLU A 75 3.496 -0.104 -12.349 1.00 41.12 H new ATOM 0 HG2 GLU A 75 2.471 0.233 -10.121 1.00 24.23 H new ATOM 0 HG3 GLU A 75 3.708 1.406 -9.716 1.00 24.23 H new ATOM 1213 N CYS A 76 5.503 0.102 -8.678 1.00 13.50 N ATOM 1214 CA CYS A 76 6.304 0.796 -7.641 1.00 23.34 C ATOM 1215 C CYS A 76 7.454 -0.075 -7.111 1.00 44.02 C ATOM 1216 O CYS A 76 8.427 0.463 -6.577 1.00 64.04 O ATOM 1217 CB CYS A 76 5.416 1.303 -6.493 1.00 23.35 C ATOM 1218 SG CYS A 76 4.447 0.039 -5.663 1.00 32.32 S ATOM 0 H CYS A 76 4.557 -0.136 -8.379 1.00 13.50 H new ATOM 0 HA CYS A 76 6.758 1.662 -8.123 1.00 23.34 H new ATOM 0 HB2 CYS A 76 6.049 1.796 -5.755 1.00 23.35 H new ATOM 0 HB3 CYS A 76 4.737 2.059 -6.887 1.00 23.35 H new ATOM 0 HG CYS A 76 5.117 -0.427 -4.651 1.00 32.32 H new ATOM 1224 N ILE A 77 7.329 -1.419 -7.263 1.00 31.53 N ATOM 1225 CA ILE A 77 8.414 -2.374 -6.935 1.00 31.52 C ATOM 1226 C ILE A 77 9.684 -2.055 -7.771 1.00 72.11 C ATOM 1227 O ILE A 77 10.802 -2.224 -7.289 1.00 40.25 O ATOM 1228 CB ILE A 77 7.927 -3.887 -7.117 1.00 51.32 C ATOM 1229 CG1 ILE A 77 8.754 -4.924 -6.259 1.00 31.23 C ATOM 1230 CG2 ILE A 77 7.885 -4.314 -8.601 1.00 3.42 C ATOM 1231 CD1 ILE A 77 10.135 -5.319 -6.779 1.00 51.40 C ATOM 0 H ILE A 77 6.481 -1.865 -7.613 1.00 31.53 H new ATOM 0 HA ILE A 77 8.678 -2.258 -5.884 1.00 31.52 H new ATOM 0 HB ILE A 77 6.908 -3.903 -6.730 1.00 51.32 H new ATOM 0 HG12 ILE A 77 8.876 -4.512 -5.257 1.00 31.23 H new ATOM 0 HG13 ILE A 77 8.158 -5.831 -6.160 1.00 31.23 H new ATOM 0 HG21 ILE A 77 7.549 -5.348 -8.673 1.00 3.42 H new ATOM 0 HG22 ILE A 77 7.195 -3.669 -9.146 1.00 3.42 H new ATOM 0 HG23 ILE A 77 8.882 -4.226 -9.033 1.00 3.42 H new ATOM 0 HD11 ILE A 77 10.590 -6.035 -6.095 1.00 51.40 H new ATOM 0 HD12 ILE A 77 10.036 -5.772 -7.765 1.00 51.40 H new ATOM 0 HD13 ILE A 77 10.765 -4.432 -6.848 1.00 51.40 H new ATOM 1243 N GLN A 78 9.493 -1.520 -9.005 1.00 5.11 N ATOM 1244 CA GLN A 78 10.606 -1.176 -9.920 1.00 24.35 C ATOM 1245 C GLN A 78 11.441 0.001 -9.370 1.00 34.04 C ATOM 1246 O GLN A 78 12.650 0.074 -9.598 1.00 1.05 O ATOM 1247 CB GLN A 78 10.048 -0.830 -11.329 1.00 21.42 C ATOM 1248 CG GLN A 78 9.289 -1.979 -12.031 1.00 12.21 C ATOM 1249 CD GLN A 78 10.183 -3.175 -12.355 1.00 63.31 C ATOM 1250 OE1 GLN A 78 10.256 -4.139 -11.452 1.00 40.14 O flip ATOM 1251 NE2 GLN A 78 10.806 -3.230 -13.414 1.00 3.20 N flip ATOM 0 H GLN A 78 8.570 -1.317 -9.389 1.00 5.11 H new ATOM 0 HA GLN A 78 11.262 -2.043 -9.998 1.00 24.35 H new ATOM 0 HB2 GLN A 78 9.379 0.025 -11.238 1.00 21.42 H new ATOM 0 HB3 GLN A 78 10.877 -0.520 -11.965 1.00 21.42 H new ATOM 0 HG2 GLN A 78 8.469 -2.308 -11.393 1.00 12.21 H new ATOM 0 HG3 GLN A 78 8.845 -1.604 -12.953 1.00 12.21 H new ATOM 0 HE21 GLN A 78 10.729 -2.471 -14.091 1.00 3.20 H new ATOM 0 HE22 GLN A 78 11.399 -4.035 -13.615 1.00 3.20 H new ATOM 1260 N LEU A 79 10.769 0.912 -8.644 1.00 13.55 N ATOM 1261 CA LEU A 79 11.399 2.102 -8.041 1.00 72.24 C ATOM 1262 C LEU A 79 11.891 1.811 -6.608 1.00 43.35 C ATOM 1263 O LEU A 79 12.855 2.425 -6.149 1.00 25.20 O ATOM 1264 CB LEU A 79 10.386 3.273 -8.021 1.00 5.15 C ATOM 1265 CG LEU A 79 9.868 3.772 -9.398 1.00 21.45 C ATOM 1266 CD1 LEU A 79 8.792 4.864 -9.214 1.00 51.24 C ATOM 1267 CD2 LEU A 79 11.032 4.268 -10.285 1.00 43.43 C ATOM 0 H LEU A 79 9.768 0.844 -8.458 1.00 13.55 H new ATOM 0 HA LEU A 79 12.264 2.373 -8.646 1.00 72.24 H new ATOM 0 HB2 LEU A 79 9.526 2.969 -7.424 1.00 5.15 H new ATOM 0 HB3 LEU A 79 10.849 4.115 -7.507 1.00 5.15 H new ATOM 0 HG LEU A 79 9.404 2.930 -9.912 1.00 21.45 H new ATOM 0 HD11 LEU A 79 8.443 5.199 -10.191 1.00 51.24 H new ATOM 0 HD12 LEU A 79 7.953 4.457 -8.649 1.00 51.24 H new ATOM 0 HD13 LEU A 79 9.219 5.708 -8.672 1.00 51.24 H new ATOM 0 HD21 LEU A 79 10.639 4.611 -11.242 1.00 43.43 H new ATOM 0 HD22 LEU A 79 11.544 5.091 -9.787 1.00 43.43 H new ATOM 0 HD23 LEU A 79 11.735 3.452 -10.453 1.00 43.43 H new ATOM 1279 N GLU A 80 11.197 0.900 -5.909 1.00 21.22 N ATOM 1280 CA GLU A 80 11.518 0.506 -4.520 1.00 54.53 C ATOM 1281 C GLU A 80 11.076 -0.946 -4.284 1.00 45.02 C ATOM 1282 O GLU A 80 9.879 -1.201 -4.203 1.00 41.52 O ATOM 1283 CB GLU A 80 10.819 1.436 -3.483 1.00 75.32 C ATOM 1284 CG GLU A 80 11.090 1.099 -1.999 1.00 10.03 C ATOM 1285 CD GLU A 80 12.569 1.232 -1.619 1.00 35.10 C ATOM 1286 OE1 GLU A 80 13.007 2.347 -1.261 1.00 3.02 O ATOM 1287 OE2 GLU A 80 13.313 0.232 -1.704 1.00 31.10 O ATOM 0 H GLU A 80 10.389 0.409 -6.292 1.00 21.22 H new ATOM 0 HA GLU A 80 12.596 0.599 -4.384 1.00 54.53 H new ATOM 0 HB2 GLU A 80 11.137 2.462 -3.669 1.00 75.32 H new ATOM 0 HB3 GLU A 80 9.743 1.400 -3.655 1.00 75.32 H new ATOM 0 HG2 GLU A 80 10.497 1.760 -1.367 1.00 10.03 H new ATOM 0 HG3 GLU A 80 10.758 0.081 -1.796 1.00 10.03 H new ATOM 1294 N PRO A 81 12.019 -1.925 -4.209 1.00 44.31 N ATOM 1295 CA PRO A 81 11.663 -3.343 -3.954 1.00 3.04 C ATOM 1296 C PRO A 81 11.153 -3.616 -2.516 1.00 63.30 C ATOM 1297 O PRO A 81 10.504 -4.640 -2.277 1.00 12.33 O ATOM 1298 CB PRO A 81 12.990 -4.087 -4.232 1.00 55.42 C ATOM 1299 CG PRO A 81 14.060 -3.075 -3.940 1.00 4.41 C ATOM 1300 CD PRO A 81 13.492 -1.744 -4.386 1.00 65.24 C ATOM 0 HA PRO A 81 10.830 -3.666 -4.578 1.00 3.04 H new ATOM 0 HB2 PRO A 81 13.092 -4.966 -3.596 1.00 55.42 H new ATOM 0 HB3 PRO A 81 13.042 -4.432 -5.265 1.00 55.42 H new ATOM 0 HG2 PRO A 81 14.307 -3.060 -2.878 1.00 4.41 H new ATOM 0 HG3 PRO A 81 14.979 -3.309 -4.478 1.00 4.41 H new ATOM 0 HD2 PRO A 81 13.872 -0.921 -3.781 1.00 65.24 H new ATOM 0 HD3 PRO A 81 13.749 -1.523 -5.422 1.00 65.24 H new ATOM 1308 N THR A 82 11.446 -2.702 -1.571 1.00 3.45 N ATOM 1309 CA THR A 82 11.157 -2.912 -0.134 1.00 3.23 C ATOM 1310 C THR A 82 9.989 -2.038 0.373 1.00 22.40 C ATOM 1311 O THR A 82 9.854 -1.862 1.589 1.00 14.44 O ATOM 1312 CB THR A 82 12.443 -2.693 0.744 1.00 45.43 C ATOM 1313 OG1 THR A 82 12.934 -1.357 0.601 1.00 33.34 O ATOM 1314 CG2 THR A 82 13.564 -3.687 0.377 1.00 41.34 C ATOM 0 H THR A 82 11.885 -1.805 -1.776 1.00 3.45 H new ATOM 0 HA THR A 82 10.842 -3.950 -0.031 1.00 3.23 H new ATOM 0 HB THR A 82 12.152 -2.867 1.780 1.00 45.43 H new ATOM 0 HG1 THR A 82 13.029 -1.143 -0.351 1.00 33.34 H new ATOM 0 HG21 THR A 82 14.435 -3.502 1.006 1.00 41.34 H new ATOM 0 HG22 THR A 82 13.212 -4.707 0.535 1.00 41.34 H new ATOM 0 HG23 THR A 82 13.838 -3.556 -0.670 1.00 41.34 H new ATOM 1322 N PHE A 83 9.133 -1.517 -0.547 1.00 40.31 N ATOM 1323 CA PHE A 83 7.946 -0.713 -0.159 1.00 52.14 C ATOM 1324 C PHE A 83 6.966 -1.597 0.677 1.00 64.25 C ATOM 1325 O PHE A 83 6.335 -2.523 0.171 1.00 13.40 O ATOM 1326 CB PHE A 83 7.256 -0.068 -1.408 1.00 15.42 C ATOM 1327 CG PHE A 83 6.521 -1.044 -2.335 1.00 71.02 C ATOM 1328 CD1 PHE A 83 7.214 -1.968 -3.104 1.00 60.34 C ATOM 1329 CD2 PHE A 83 5.135 -1.055 -2.414 1.00 73.41 C ATOM 1330 CE1 PHE A 83 6.553 -2.858 -3.918 1.00 1.14 C ATOM 1331 CE2 PHE A 83 4.474 -1.950 -3.231 1.00 24.11 C ATOM 1332 CZ PHE A 83 5.185 -2.853 -3.980 1.00 34.43 C ATOM 0 H PHE A 83 9.243 -1.639 -1.554 1.00 40.31 H new ATOM 0 HA PHE A 83 8.268 0.119 0.468 1.00 52.14 H new ATOM 0 HB2 PHE A 83 6.545 0.682 -1.061 1.00 15.42 H new ATOM 0 HB3 PHE A 83 8.014 0.457 -1.989 1.00 15.42 H new ATOM 0 HD1 PHE A 83 8.293 -1.989 -3.063 1.00 60.34 H new ATOM 0 HD2 PHE A 83 4.564 -0.351 -1.826 1.00 73.41 H new ATOM 0 HE1 PHE A 83 7.115 -3.564 -4.511 1.00 1.14 H new ATOM 0 HE2 PHE A 83 3.395 -1.939 -3.281 1.00 24.11 H new ATOM 0 HZ PHE A 83 4.668 -3.557 -4.616 1.00 34.43 H new ATOM 1342 N ILE A 84 6.883 -1.308 1.977 1.00 72.35 N ATOM 1343 CA ILE A 84 6.269 -2.209 2.972 1.00 24.35 C ATOM 1344 C ILE A 84 4.733 -2.199 2.910 1.00 73.34 C ATOM 1345 O ILE A 84 4.105 -3.262 2.842 1.00 34.34 O ATOM 1346 CB ILE A 84 6.779 -1.844 4.419 1.00 54.35 C ATOM 1347 CG1 ILE A 84 8.278 -2.263 4.581 1.00 41.51 C ATOM 1348 CG2 ILE A 84 5.892 -2.447 5.530 1.00 55.54 C ATOM 1349 CD1 ILE A 84 8.861 -2.061 5.966 1.00 25.44 C ATOM 0 H ILE A 84 7.239 -0.440 2.378 1.00 72.35 H new ATOM 0 HA ILE A 84 6.580 -3.225 2.729 1.00 24.35 H new ATOM 0 HB ILE A 84 6.706 -0.763 4.534 1.00 54.35 H new ATOM 0 HG12 ILE A 84 8.375 -3.315 4.314 1.00 41.51 H new ATOM 0 HG13 ILE A 84 8.876 -1.697 3.867 1.00 41.51 H new ATOM 0 HG21 ILE A 84 6.288 -2.165 6.505 1.00 55.54 H new ATOM 0 HG22 ILE A 84 4.875 -2.069 5.429 1.00 55.54 H new ATOM 0 HG23 ILE A 84 5.886 -3.533 5.441 1.00 55.54 H new ATOM 0 HD11 ILE A 84 9.903 -2.382 5.973 1.00 25.44 H new ATOM 0 HD12 ILE A 84 8.804 -1.006 6.234 1.00 25.44 H new ATOM 0 HD13 ILE A 84 8.296 -2.650 6.688 1.00 25.44 H new ATOM 1361 N LYS A 85 4.137 -0.995 2.941 1.00 30.41 N ATOM 1362 CA LYS A 85 2.673 -0.839 3.061 1.00 44.11 C ATOM 1363 C LYS A 85 1.957 -1.321 1.793 1.00 72.33 C ATOM 1364 O LYS A 85 0.829 -1.808 1.865 1.00 10.11 O ATOM 1365 CB LYS A 85 2.300 0.628 3.394 1.00 14.30 C ATOM 1366 CG LYS A 85 2.995 1.180 4.661 1.00 33.34 C ATOM 1367 CD LYS A 85 2.741 0.310 5.916 1.00 3.14 C ATOM 1368 CE LYS A 85 3.461 0.838 7.166 1.00 61.53 C ATOM 1369 NZ LYS A 85 3.202 -0.018 8.352 1.00 63.04 N ATOM 0 H LYS A 85 4.646 -0.113 2.885 1.00 30.41 H new ATOM 0 HA LYS A 85 2.335 -1.466 3.886 1.00 44.11 H new ATOM 0 HB2 LYS A 85 2.559 1.260 2.545 1.00 14.30 H new ATOM 0 HB3 LYS A 85 1.220 0.697 3.525 1.00 14.30 H new ATOM 0 HG2 LYS A 85 4.068 1.245 4.481 1.00 33.34 H new ATOM 0 HG3 LYS A 85 2.642 2.194 4.850 1.00 33.34 H new ATOM 0 HD2 LYS A 85 1.669 0.267 6.111 1.00 3.14 H new ATOM 0 HD3 LYS A 85 3.070 -0.710 5.717 1.00 3.14 H new ATOM 0 HE2 LYS A 85 4.533 0.883 6.977 1.00 61.53 H new ATOM 0 HE3 LYS A 85 3.131 1.856 7.373 1.00 61.53 H new ATOM 0 HZ1 LYS A 85 3.169 0.574 9.207 1.00 63.04 H new ATOM 0 HZ2 LYS A 85 2.292 -0.508 8.235 1.00 63.04 H new ATOM 0 HZ3 LYS A 85 3.963 -0.720 8.446 1.00 63.04 H new ATOM 1383 N GLY A 86 2.643 -1.202 0.643 1.00 13.43 N ATOM 1384 CA GLY A 86 2.131 -1.703 -0.625 1.00 3.12 C ATOM 1385 C GLY A 86 2.160 -3.224 -0.704 1.00 11.24 C ATOM 1386 O GLY A 86 1.290 -3.815 -1.326 1.00 42.21 O ATOM 0 H GLY A 86 3.559 -0.758 0.576 1.00 13.43 H new ATOM 0 HA2 GLY A 86 1.108 -1.354 -0.763 1.00 3.12 H new ATOM 0 HA3 GLY A 86 2.722 -1.288 -1.441 1.00 3.12 H new ATOM 1390 N TYR A 87 3.176 -3.853 -0.066 1.00 11.21 N ATOM 1391 CA TYR A 87 3.219 -5.321 0.122 1.00 1.42 C ATOM 1392 C TYR A 87 2.018 -5.795 0.964 1.00 40.44 C ATOM 1393 O TYR A 87 1.349 -6.764 0.608 1.00 21.42 O ATOM 1394 CB TYR A 87 4.556 -5.771 0.798 1.00 13.51 C ATOM 1395 CG TYR A 87 5.695 -6.144 -0.160 1.00 4.42 C ATOM 1396 CD1 TYR A 87 6.183 -5.237 -1.093 1.00 15.31 C ATOM 1397 CD2 TYR A 87 6.299 -7.407 -0.107 1.00 53.11 C ATOM 1398 CE1 TYR A 87 7.223 -5.564 -1.934 1.00 15.44 C ATOM 1399 CE2 TYR A 87 7.337 -7.738 -0.953 1.00 65.30 C ATOM 1400 CZ TYR A 87 7.795 -6.808 -1.863 1.00 53.25 C ATOM 1401 OH TYR A 87 8.837 -7.118 -2.708 1.00 51.44 O ATOM 0 H TYR A 87 3.979 -3.363 0.328 1.00 11.21 H new ATOM 0 HA TYR A 87 3.165 -5.780 -0.865 1.00 1.42 H new ATOM 0 HB2 TYR A 87 4.901 -4.967 1.448 1.00 13.51 H new ATOM 0 HB3 TYR A 87 4.348 -6.629 1.437 1.00 13.51 H new ATOM 0 HD1 TYR A 87 5.737 -4.256 -1.160 1.00 15.31 H new ATOM 0 HD2 TYR A 87 5.946 -8.134 0.609 1.00 53.11 H new ATOM 0 HE1 TYR A 87 7.588 -4.841 -2.649 1.00 15.44 H new ATOM 0 HE2 TYR A 87 7.788 -8.718 -0.903 1.00 65.30 H new ATOM 0 HH TYR A 87 9.489 -6.387 -2.705 1.00 51.44 H new ATOM 1411 N THR A 88 1.751 -5.094 2.082 1.00 42.23 N ATOM 1412 CA THR A 88 0.662 -5.456 3.000 1.00 15.44 C ATOM 1413 C THR A 88 -0.720 -5.206 2.331 1.00 14.14 C ATOM 1414 O THR A 88 -1.678 -5.939 2.586 1.00 3.13 O ATOM 1415 CB THR A 88 0.786 -4.671 4.355 1.00 51.33 C ATOM 1416 OG1 THR A 88 2.170 -4.574 4.745 1.00 11.23 O ATOM 1417 CG2 THR A 88 0.004 -5.364 5.490 1.00 1.12 C ATOM 0 H THR A 88 2.279 -4.270 2.370 1.00 42.23 H new ATOM 0 HA THR A 88 0.742 -6.519 3.225 1.00 15.44 H new ATOM 0 HB THR A 88 0.365 -3.679 4.193 1.00 51.33 H new ATOM 0 HG1 THR A 88 2.238 -4.082 5.590 1.00 11.23 H new ATOM 0 HG21 THR A 88 0.114 -4.791 6.411 1.00 1.12 H new ATOM 0 HG22 THR A 88 -1.051 -5.421 5.223 1.00 1.12 H new ATOM 0 HG23 THR A 88 0.395 -6.370 5.640 1.00 1.12 H new ATOM 1425 N ARG A 89 -0.784 -4.187 1.439 1.00 53.03 N ATOM 1426 CA ARG A 89 -1.986 -3.870 0.618 1.00 50.32 C ATOM 1427 C ARG A 89 -2.167 -4.892 -0.522 1.00 2.31 C ATOM 1428 O ARG A 89 -3.300 -5.177 -0.922 1.00 32.15 O ATOM 1429 CB ARG A 89 -1.907 -2.410 0.035 1.00 73.13 C ATOM 1430 CG ARG A 89 -2.712 -1.316 0.792 1.00 31.20 C ATOM 1431 CD ARG A 89 -2.244 -1.045 2.236 1.00 71.41 C ATOM 1432 NE ARG A 89 -2.640 -2.110 3.178 1.00 61.42 N ATOM 1433 CZ ARG A 89 -2.093 -2.317 4.388 1.00 73.24 C ATOM 1434 NH1 ARG A 89 -1.115 -1.542 4.843 1.00 12.22 N ATOM 1435 NH2 ARG A 89 -2.552 -3.297 5.152 1.00 51.24 N ATOM 0 H ARG A 89 -0.001 -3.557 1.266 1.00 53.03 H new ATOM 0 HA ARG A 89 -2.854 -3.931 1.274 1.00 50.32 H new ATOM 0 HB2 ARG A 89 -0.860 -2.108 0.012 1.00 73.13 H new ATOM 0 HB3 ARG A 89 -2.254 -2.436 -0.998 1.00 73.13 H new ATOM 0 HG2 ARG A 89 -2.653 -0.386 0.226 1.00 31.20 H new ATOM 0 HG3 ARG A 89 -3.762 -1.609 0.815 1.00 31.20 H new ATOM 0 HD2 ARG A 89 -1.159 -0.942 2.247 1.00 71.41 H new ATOM 0 HD3 ARG A 89 -2.658 -0.095 2.574 1.00 71.41 H new ATOM 0 HE ARG A 89 -3.389 -2.739 2.887 1.00 61.42 H new ATOM 0 HH11 ARG A 89 -0.766 -0.773 4.271 1.00 12.22 H new ATOM 0 HH12 ARG A 89 -0.713 -1.716 5.764 1.00 12.22 H new ATOM 0 HH21 ARG A 89 -3.315 -3.888 4.821 1.00 51.24 H new ATOM 0 HH22 ARG A 89 -2.143 -3.461 6.072 1.00 51.24 H new ATOM 1449 N LYS A 90 -1.041 -5.420 -1.036 1.00 24.43 N ATOM 1450 CA LYS A 90 -1.027 -6.432 -2.106 1.00 41.42 C ATOM 1451 C LYS A 90 -1.570 -7.760 -1.565 1.00 74.53 C ATOM 1452 O LYS A 90 -2.386 -8.417 -2.209 1.00 31.02 O ATOM 1453 CB LYS A 90 0.423 -6.625 -2.638 1.00 41.12 C ATOM 1454 CG LYS A 90 0.553 -7.669 -3.765 1.00 1.41 C ATOM 1455 CD LYS A 90 -0.190 -7.252 -5.056 1.00 43.32 C ATOM 1456 CE LYS A 90 -0.216 -8.378 -6.099 1.00 53.02 C ATOM 1457 NZ LYS A 90 1.137 -8.876 -6.435 1.00 30.12 N ATOM 0 H LYS A 90 -0.109 -5.154 -0.718 1.00 24.43 H new ATOM 0 HA LYS A 90 -1.659 -6.095 -2.927 1.00 41.42 H new ATOM 0 HB2 LYS A 90 0.794 -5.667 -3.002 1.00 41.12 H new ATOM 0 HB3 LYS A 90 1.065 -6.921 -1.809 1.00 41.12 H new ATOM 0 HG2 LYS A 90 1.608 -7.823 -3.992 1.00 1.41 H new ATOM 0 HG3 LYS A 90 0.159 -8.624 -3.417 1.00 1.41 H new ATOM 0 HD2 LYS A 90 -1.212 -6.965 -4.808 1.00 43.32 H new ATOM 0 HD3 LYS A 90 0.293 -6.374 -5.484 1.00 43.32 H new ATOM 0 HE2 LYS A 90 -0.819 -9.204 -5.722 1.00 53.02 H new ATOM 0 HE3 LYS A 90 -0.701 -8.017 -7.006 1.00 53.02 H new ATOM 0 HZ1 LYS A 90 1.062 -9.634 -7.143 1.00 30.12 H new ATOM 0 HZ2 LYS A 90 1.708 -8.097 -6.821 1.00 30.12 H new ATOM 0 HZ3 LYS A 90 1.593 -9.247 -5.577 1.00 30.12 H new ATOM 1471 N ALA A 91 -1.097 -8.116 -0.367 1.00 24.14 N ATOM 1472 CA ALA A 91 -1.504 -9.320 0.345 1.00 54.42 C ATOM 1473 C ALA A 91 -2.953 -9.190 0.856 1.00 63.45 C ATOM 1474 O ALA A 91 -3.678 -10.181 0.925 1.00 75.05 O ATOM 1475 CB ALA A 91 -0.516 -9.573 1.482 1.00 44.30 C ATOM 0 H ALA A 91 -0.408 -7.561 0.140 1.00 24.14 H new ATOM 0 HA ALA A 91 -1.489 -10.176 -0.329 1.00 54.42 H new ATOM 0 HB1 ALA A 91 -0.808 -10.472 2.025 1.00 44.30 H new ATOM 0 HB2 ALA A 91 0.485 -9.706 1.071 1.00 44.30 H new ATOM 0 HB3 ALA A 91 -0.519 -8.722 2.163 1.00 44.30 H new ATOM 1481 N ALA A 92 -3.361 -7.942 1.184 1.00 40.32 N ATOM 1482 CA ALA A 92 -4.751 -7.607 1.558 1.00 41.13 C ATOM 1483 C ALA A 92 -5.700 -7.780 0.366 1.00 31.45 C ATOM 1484 O ALA A 92 -6.840 -8.241 0.519 1.00 63.04 O ATOM 1485 CB ALA A 92 -4.834 -6.166 2.073 1.00 71.44 C ATOM 0 H ALA A 92 -2.733 -7.139 1.196 1.00 40.32 H new ATOM 0 HA ALA A 92 -5.056 -8.292 2.349 1.00 41.13 H new ATOM 0 HB1 ALA A 92 -5.864 -5.935 2.344 1.00 71.44 H new ATOM 0 HB2 ALA A 92 -4.195 -6.055 2.949 1.00 71.44 H new ATOM 0 HB3 ALA A 92 -4.502 -5.481 1.293 1.00 71.44 H new ATOM 1491 N ALA A 93 -5.203 -7.378 -0.818 1.00 54.44 N ATOM 1492 CA ALA A 93 -5.926 -7.517 -2.079 1.00 40.44 C ATOM 1493 C ALA A 93 -6.114 -8.998 -2.411 1.00 42.31 C ATOM 1494 O ALA A 93 -7.239 -9.444 -2.614 1.00 45.14 O ATOM 1495 CB ALA A 93 -5.187 -6.779 -3.203 1.00 25.13 C ATOM 0 H ALA A 93 -4.284 -6.947 -0.919 1.00 54.44 H new ATOM 0 HA ALA A 93 -6.912 -7.064 -1.980 1.00 40.44 H new ATOM 0 HB1 ALA A 93 -5.738 -6.892 -4.136 1.00 25.13 H new ATOM 0 HB2 ALA A 93 -5.109 -5.721 -2.954 1.00 25.13 H new ATOM 0 HB3 ALA A 93 -4.188 -7.199 -3.319 1.00 25.13 H new ATOM 1501 N LEU A 94 -4.997 -9.756 -2.386 1.00 41.23 N ATOM 1502 CA LEU A 94 -4.988 -11.208 -2.653 1.00 31.11 C ATOM 1503 C LEU A 94 -5.909 -11.965 -1.689 1.00 31.23 C ATOM 1504 O LEU A 94 -6.633 -12.856 -2.108 1.00 12.22 O ATOM 1505 CB LEU A 94 -3.548 -11.780 -2.572 1.00 12.04 C ATOM 1506 CG LEU A 94 -2.580 -11.339 -3.706 1.00 74.12 C ATOM 1507 CD1 LEU A 94 -1.167 -11.912 -3.491 1.00 64.50 C ATOM 1508 CD2 LEU A 94 -3.133 -11.706 -5.098 1.00 4.31 C ATOM 0 H LEU A 94 -4.073 -9.375 -2.179 1.00 41.23 H new ATOM 0 HA LEU A 94 -5.365 -11.350 -3.666 1.00 31.11 H new ATOM 0 HB2 LEU A 94 -3.114 -11.487 -1.616 1.00 12.04 H new ATOM 0 HB3 LEU A 94 -3.609 -12.868 -2.575 1.00 12.04 H new ATOM 0 HG LEU A 94 -2.503 -10.253 -3.665 1.00 74.12 H new ATOM 0 HD11 LEU A 94 -0.515 -11.585 -4.301 1.00 64.50 H new ATOM 0 HD12 LEU A 94 -0.771 -11.556 -2.540 1.00 64.50 H new ATOM 0 HD13 LEU A 94 -1.214 -13.001 -3.480 1.00 64.50 H new ATOM 0 HD21 LEU A 94 -2.430 -11.383 -5.866 1.00 4.31 H new ATOM 0 HD22 LEU A 94 -3.269 -12.786 -5.162 1.00 4.31 H new ATOM 0 HD23 LEU A 94 -4.091 -11.210 -5.251 1.00 4.31 H new ATOM 1520 N GLU A 95 -5.904 -11.558 -0.412 1.00 41.32 N ATOM 1521 CA GLU A 95 -6.828 -12.090 0.612 1.00 64.44 C ATOM 1522 C GLU A 95 -8.305 -11.914 0.167 1.00 61.44 C ATOM 1523 O GLU A 95 -9.133 -12.815 0.350 1.00 42.04 O ATOM 1524 CB GLU A 95 -6.574 -11.383 1.968 1.00 53.30 C ATOM 1525 CG GLU A 95 -7.426 -11.898 3.139 1.00 51.13 C ATOM 1526 CD GLU A 95 -7.283 -11.060 4.417 1.00 61.41 C ATOM 1527 OE1 GLU A 95 -6.230 -11.125 5.079 1.00 41.53 O ATOM 1528 OE2 GLU A 95 -8.232 -10.326 4.773 1.00 32.04 O ATOM 0 H GLU A 95 -5.261 -10.851 -0.055 1.00 41.32 H new ATOM 0 HA GLU A 95 -6.641 -13.157 0.732 1.00 64.44 H new ATOM 0 HB2 GLU A 95 -5.521 -11.495 2.227 1.00 53.30 H new ATOM 0 HB3 GLU A 95 -6.760 -10.316 1.845 1.00 53.30 H new ATOM 0 HG2 GLU A 95 -8.473 -11.910 2.838 1.00 51.13 H new ATOM 0 HG3 GLU A 95 -7.145 -12.928 3.357 1.00 51.13 H new ATOM 1535 N ALA A 96 -8.598 -10.771 -0.494 1.00 41.20 N ATOM 1536 CA ALA A 96 -9.936 -10.477 -1.034 1.00 3.31 C ATOM 1537 C ALA A 96 -10.164 -11.244 -2.359 1.00 43.41 C ATOM 1538 O ALA A 96 -11.310 -11.466 -2.758 1.00 1.04 O ATOM 1539 CB ALA A 96 -10.110 -8.960 -1.231 1.00 72.32 C ATOM 0 H ALA A 96 -7.915 -10.033 -0.665 1.00 41.20 H new ATOM 0 HA ALA A 96 -10.687 -10.813 -0.319 1.00 3.31 H new ATOM 0 HB1 ALA A 96 -11.103 -8.757 -1.631 1.00 72.32 H new ATOM 0 HB2 ALA A 96 -9.993 -8.453 -0.273 1.00 72.32 H new ATOM 0 HB3 ALA A 96 -9.356 -8.595 -1.929 1.00 72.32 H new ATOM 1545 N MET A 97 -9.054 -11.675 -3.016 1.00 23.44 N ATOM 1546 CA MET A 97 -9.094 -12.452 -4.282 1.00 52.53 C ATOM 1547 C MET A 97 -9.038 -13.974 -3.985 1.00 23.53 C ATOM 1548 O MET A 97 -8.866 -14.777 -4.913 1.00 23.24 O ATOM 1549 CB MET A 97 -7.898 -12.054 -5.207 1.00 20.25 C ATOM 1550 CG MET A 97 -7.804 -10.560 -5.546 1.00 53.11 C ATOM 1551 SD MET A 97 -9.313 -9.895 -6.276 1.00 43.35 S ATOM 1552 CE MET A 97 -8.911 -8.150 -6.379 1.00 51.25 C ATOM 0 H MET A 97 -8.108 -11.493 -2.682 1.00 23.44 H new ATOM 0 HA MET A 97 -10.029 -12.222 -4.792 1.00 52.53 H new ATOM 0 HB2 MET A 97 -6.969 -12.360 -4.725 1.00 20.25 H new ATOM 0 HB3 MET A 97 -7.976 -12.617 -6.137 1.00 20.25 H new ATOM 0 HG2 MET A 97 -7.572 -10.003 -4.638 1.00 53.11 H new ATOM 0 HG3 MET A 97 -6.975 -10.403 -6.237 1.00 53.11 H new ATOM 0 HE1 MET A 97 -9.765 -7.603 -6.779 1.00 51.25 H new ATOM 0 HE2 MET A 97 -8.672 -7.772 -5.385 1.00 51.25 H new ATOM 0 HE3 MET A 97 -8.052 -8.013 -7.036 1.00 51.25 H new ATOM 1562 N LYS A 98 -9.151 -14.338 -2.671 1.00 1.43 N ATOM 1563 CA LYS A 98 -9.146 -15.741 -2.167 1.00 41.32 C ATOM 1564 C LYS A 98 -7.771 -16.433 -2.327 1.00 65.20 C ATOM 1565 O LYS A 98 -7.653 -17.645 -2.118 1.00 2.12 O ATOM 1566 CB LYS A 98 -10.284 -16.572 -2.842 1.00 34.31 C ATOM 1567 CG LYS A 98 -11.720 -16.031 -2.600 1.00 31.54 C ATOM 1568 CD LYS A 98 -12.181 -16.148 -1.130 1.00 45.31 C ATOM 1569 CE LYS A 98 -12.177 -17.599 -0.616 1.00 32.42 C ATOM 1570 NZ LYS A 98 -12.975 -18.503 -1.487 1.00 4.25 N ATOM 0 H LYS A 98 -9.249 -13.651 -1.924 1.00 1.43 H new ATOM 0 HA LYS A 98 -9.338 -15.695 -1.095 1.00 41.32 H new ATOM 0 HB2 LYS A 98 -10.101 -16.607 -3.916 1.00 34.31 H new ATOM 0 HB3 LYS A 98 -10.231 -17.597 -2.476 1.00 34.31 H new ATOM 0 HG2 LYS A 98 -11.762 -14.985 -2.904 1.00 31.54 H new ATOM 0 HG3 LYS A 98 -12.417 -16.576 -3.236 1.00 31.54 H new ATOM 0 HD2 LYS A 98 -11.529 -15.543 -0.500 1.00 45.31 H new ATOM 0 HD3 LYS A 98 -13.186 -15.737 -1.036 1.00 45.31 H new ATOM 0 HE2 LYS A 98 -11.150 -17.961 -0.562 1.00 32.42 H new ATOM 0 HE3 LYS A 98 -12.578 -17.625 0.397 1.00 32.42 H new ATOM 0 HZ1 LYS A 98 -13.044 -19.441 -1.043 1.00 4.25 H new ATOM 0 HZ2 LYS A 98 -13.929 -18.109 -1.615 1.00 4.25 H new ATOM 0 HZ3 LYS A 98 -12.510 -18.592 -2.413 1.00 4.25 H new ATOM 1584 N ASP A 99 -6.734 -15.635 -2.632 1.00 11.13 N ATOM 1585 CA ASP A 99 -5.370 -16.113 -2.922 1.00 55.01 C ATOM 1586 C ASP A 99 -4.514 -16.181 -1.637 1.00 72.21 C ATOM 1587 O ASP A 99 -3.336 -15.808 -1.658 1.00 10.13 O ATOM 1588 CB ASP A 99 -4.685 -15.161 -3.963 1.00 12.44 C ATOM 1589 CG ASP A 99 -3.578 -15.828 -4.802 1.00 64.25 C ATOM 1590 OD1 ASP A 99 -3.317 -17.041 -4.641 1.00 55.12 O ATOM 1591 OD2 ASP A 99 -2.964 -15.134 -5.639 1.00 43.23 O ATOM 0 H ASP A 99 -6.821 -14.620 -2.685 1.00 11.13 H new ATOM 0 HA ASP A 99 -5.444 -17.119 -3.335 1.00 55.01 H new ATOM 0 HB2 ASP A 99 -5.448 -14.769 -4.636 1.00 12.44 H new ATOM 0 HB3 ASP A 99 -4.259 -14.309 -3.433 1.00 12.44 H new ATOM 1596 N TYR A 100 -5.108 -16.683 -0.533 1.00 14.32 N ATOM 1597 CA TYR A 100 -4.448 -16.788 0.799 1.00 51.44 C ATOM 1598 C TYR A 100 -3.047 -17.428 0.727 1.00 42.11 C ATOM 1599 O TYR A 100 -2.158 -17.055 1.494 1.00 32.41 O ATOM 1600 CB TYR A 100 -5.342 -17.598 1.766 1.00 22.22 C ATOM 1601 CG TYR A 100 -6.785 -17.095 1.815 1.00 61.12 C ATOM 1602 CD1 TYR A 100 -7.061 -15.760 2.096 1.00 15.24 C ATOM 1603 CD2 TYR A 100 -7.866 -17.941 1.549 1.00 71.30 C ATOM 1604 CE1 TYR A 100 -8.349 -15.292 2.107 1.00 14.21 C ATOM 1605 CE2 TYR A 100 -9.163 -17.468 1.569 1.00 10.12 C ATOM 1606 CZ TYR A 100 -9.397 -16.141 1.847 1.00 44.23 C ATOM 1607 OH TYR A 100 -10.686 -15.654 1.857 1.00 72.10 O ATOM 0 H TYR A 100 -6.067 -17.031 -0.535 1.00 14.32 H new ATOM 0 HA TYR A 100 -4.316 -15.771 1.168 1.00 51.44 H new ATOM 0 HB2 TYR A 100 -5.339 -18.645 1.463 1.00 22.22 H new ATOM 0 HB3 TYR A 100 -4.915 -17.555 2.768 1.00 22.22 H new ATOM 0 HD1 TYR A 100 -6.247 -15.082 2.309 1.00 15.24 H new ATOM 0 HD2 TYR A 100 -7.683 -18.981 1.324 1.00 71.30 H new ATOM 0 HE1 TYR A 100 -8.541 -14.251 2.321 1.00 14.21 H new ATOM 0 HE2 TYR A 100 -9.988 -18.135 1.368 1.00 10.12 H new ATOM 0 HH TYR A 100 -11.312 -16.380 1.653 1.00 72.10 H new ATOM 1617 N THR A 101 -2.878 -18.358 -0.231 1.00 41.21 N ATOM 1618 CA THR A 101 -1.616 -19.060 -0.486 1.00 32.03 C ATOM 1619 C THR A 101 -0.480 -18.081 -0.844 1.00 64.45 C ATOM 1620 O THR A 101 0.635 -18.208 -0.330 1.00 14.22 O ATOM 1621 CB THR A 101 -1.794 -20.098 -1.640 1.00 13.32 C ATOM 1622 OG1 THR A 101 -2.324 -19.449 -2.810 1.00 55.15 O ATOM 1623 CG2 THR A 101 -2.724 -21.251 -1.231 1.00 5.12 C ATOM 0 H THR A 101 -3.630 -18.644 -0.858 1.00 41.21 H new ATOM 0 HA THR A 101 -1.342 -19.578 0.433 1.00 32.03 H new ATOM 0 HB THR A 101 -0.811 -20.515 -1.859 1.00 13.32 H new ATOM 0 HG1 THR A 101 -2.431 -20.107 -3.529 1.00 55.15 H new ATOM 0 HG21 THR A 101 -2.822 -21.951 -2.061 1.00 5.12 H new ATOM 0 HG22 THR A 101 -2.305 -21.768 -0.368 1.00 5.12 H new ATOM 0 HG23 THR A 101 -3.706 -20.853 -0.974 1.00 5.12 H new ATOM 1631 N LYS A 102 -0.767 -17.115 -1.749 1.00 43.01 N ATOM 1632 CA LYS A 102 0.240 -16.126 -2.198 1.00 61.44 C ATOM 1633 C LYS A 102 0.251 -14.912 -1.272 1.00 50.42 C ATOM 1634 O LYS A 102 1.292 -14.280 -1.092 1.00 24.12 O ATOM 1635 CB LYS A 102 0.013 -15.685 -3.671 1.00 2.04 C ATOM 1636 CG LYS A 102 0.108 -16.811 -4.735 1.00 50.32 C ATOM 1637 CD LYS A 102 1.393 -17.707 -4.622 1.00 24.24 C ATOM 1638 CE LYS A 102 1.148 -19.054 -3.899 1.00 10.25 C ATOM 1639 NZ LYS A 102 2.410 -19.703 -3.447 1.00 1.12 N ATOM 0 H LYS A 102 -1.684 -17.000 -2.181 1.00 43.01 H new ATOM 0 HA LYS A 102 1.213 -16.615 -2.153 1.00 61.44 H new ATOM 0 HB2 LYS A 102 -0.972 -15.223 -3.745 1.00 2.04 H new ATOM 0 HB3 LYS A 102 0.745 -14.916 -3.917 1.00 2.04 H new ATOM 0 HG2 LYS A 102 -0.772 -17.448 -4.651 1.00 50.32 H new ATOM 0 HG3 LYS A 102 0.081 -16.360 -5.727 1.00 50.32 H new ATOM 0 HD2 LYS A 102 1.776 -17.906 -5.623 1.00 24.24 H new ATOM 0 HD3 LYS A 102 2.166 -17.153 -4.089 1.00 24.24 H new ATOM 0 HE2 LYS A 102 0.502 -18.887 -3.037 1.00 10.25 H new ATOM 0 HE3 LYS A 102 0.617 -19.730 -4.569 1.00 10.25 H new ATOM 0 HZ1 LYS A 102 2.193 -20.631 -3.031 1.00 1.12 H new ATOM 0 HZ2 LYS A 102 3.046 -19.828 -4.260 1.00 1.12 H new ATOM 0 HZ3 LYS A 102 2.873 -19.103 -2.734 1.00 1.12 H new ATOM 1653 N ALA A 103 -0.920 -14.602 -0.681 1.00 12.22 N ATOM 1654 CA ALA A 103 -1.081 -13.478 0.253 1.00 42.44 C ATOM 1655 C ALA A 103 -0.158 -13.658 1.458 1.00 50.13 C ATOM 1656 O ALA A 103 0.627 -12.763 1.776 1.00 22.33 O ATOM 1657 CB ALA A 103 -2.546 -13.337 0.697 1.00 3.14 C ATOM 0 H ALA A 103 -1.780 -15.127 -0.840 1.00 12.22 H new ATOM 0 HA ALA A 103 -0.802 -12.558 -0.261 1.00 42.44 H new ATOM 0 HB1 ALA A 103 -2.638 -12.499 1.387 1.00 3.14 H new ATOM 0 HB2 ALA A 103 -3.175 -13.159 -0.175 1.00 3.14 H new ATOM 0 HB3 ALA A 103 -2.865 -14.253 1.194 1.00 3.14 H new ATOM 1663 N MET A 104 -0.211 -14.867 2.060 1.00 71.40 N ATOM 1664 CA MET A 104 0.589 -15.222 3.249 1.00 64.33 C ATOM 1665 C MET A 104 2.101 -15.115 2.971 1.00 73.15 C ATOM 1666 O MET A 104 2.882 -14.816 3.883 1.00 52.52 O ATOM 1667 CB MET A 104 0.233 -16.645 3.754 1.00 15.04 C ATOM 1668 CG MET A 104 0.711 -17.811 2.875 1.00 54.13 C ATOM 1669 SD MET A 104 0.330 -19.423 3.593 1.00 14.01 S ATOM 1670 CE MET A 104 -1.453 -19.348 3.761 1.00 63.52 C ATOM 0 H MET A 104 -0.811 -15.624 1.733 1.00 71.40 H new ATOM 0 HA MET A 104 0.341 -14.503 4.030 1.00 64.33 H new ATOM 0 HB2 MET A 104 0.655 -16.771 4.751 1.00 15.04 H new ATOM 0 HB3 MET A 104 -0.850 -16.713 3.855 1.00 15.04 H new ATOM 0 HG2 MET A 104 0.245 -17.736 1.893 1.00 54.13 H new ATOM 0 HG3 MET A 104 1.787 -17.730 2.724 1.00 54.13 H new ATOM 0 HE1 MET A 104 -1.743 -19.740 4.736 1.00 63.52 H new ATOM 0 HE2 MET A 104 -1.784 -18.313 3.673 1.00 63.52 H new ATOM 0 HE3 MET A 104 -1.918 -19.945 2.977 1.00 63.52 H new ATOM 1680 N ASP A 105 2.491 -15.354 1.695 1.00 63.10 N ATOM 1681 CA ASP A 105 3.877 -15.183 1.236 1.00 51.53 C ATOM 1682 C ASP A 105 4.272 -13.706 1.269 1.00 23.12 C ATOM 1683 O ASP A 105 5.372 -13.377 1.691 1.00 1.14 O ATOM 1684 CB ASP A 105 4.089 -15.722 -0.205 1.00 53.02 C ATOM 1685 CG ASP A 105 3.907 -17.239 -0.373 1.00 73.22 C ATOM 1686 OD1 ASP A 105 4.313 -18.008 0.533 1.00 74.02 O ATOM 1687 OD2 ASP A 105 3.411 -17.676 -1.443 1.00 42.44 O ATOM 0 H ASP A 105 1.852 -15.669 0.965 1.00 63.10 H new ATOM 0 HA ASP A 105 4.505 -15.758 1.916 1.00 51.53 H new ATOM 0 HB2 ASP A 105 3.393 -15.213 -0.871 1.00 53.02 H new ATOM 0 HB3 ASP A 105 5.094 -15.455 -0.531 1.00 53.02 H new ATOM 1692 N VAL A 106 3.345 -12.820 0.847 1.00 5.21 N ATOM 1693 CA VAL A 106 3.632 -11.380 0.705 1.00 1.42 C ATOM 1694 C VAL A 106 3.618 -10.701 2.094 1.00 15.02 C ATOM 1695 O VAL A 106 4.374 -9.756 2.326 1.00 31.42 O ATOM 1696 CB VAL A 106 2.627 -10.679 -0.292 1.00 22.43 C ATOM 1697 CG1 VAL A 106 2.990 -9.193 -0.521 1.00 41.11 C ATOM 1698 CG2 VAL A 106 2.570 -11.429 -1.643 1.00 63.00 C ATOM 0 H VAL A 106 2.390 -13.079 0.599 1.00 5.21 H new ATOM 0 HA VAL A 106 4.627 -11.270 0.274 1.00 1.42 H new ATOM 0 HB VAL A 106 1.640 -10.717 0.170 1.00 22.43 H new ATOM 0 HG11 VAL A 106 2.275 -8.746 -1.212 1.00 41.11 H new ATOM 0 HG12 VAL A 106 2.957 -8.660 0.429 1.00 41.11 H new ATOM 0 HG13 VAL A 106 3.993 -9.124 -0.941 1.00 41.11 H new ATOM 0 HG21 VAL A 106 1.871 -10.925 -2.310 1.00 63.00 H new ATOM 0 HG22 VAL A 106 3.561 -11.438 -2.096 1.00 63.00 H new ATOM 0 HG23 VAL A 106 2.238 -12.454 -1.477 1.00 63.00 H new ATOM 1708 N TYR A 107 2.779 -11.232 3.025 1.00 22.33 N ATOM 1709 CA TYR A 107 2.785 -10.820 4.451 1.00 34.55 C ATOM 1710 C TYR A 107 4.154 -11.145 5.086 1.00 14.50 C ATOM 1711 O TYR A 107 4.763 -10.291 5.742 1.00 44.22 O ATOM 1712 CB TYR A 107 1.653 -11.517 5.270 1.00 52.54 C ATOM 1713 CG TYR A 107 0.224 -11.004 4.996 1.00 63.03 C ATOM 1714 CD1 TYR A 107 -0.147 -9.695 5.319 1.00 11.11 C ATOM 1715 CD2 TYR A 107 -0.754 -11.825 4.454 1.00 44.31 C ATOM 1716 CE1 TYR A 107 -1.432 -9.230 5.109 1.00 5.45 C ATOM 1717 CE2 TYR A 107 -2.037 -11.363 4.233 1.00 44.34 C ATOM 1718 CZ TYR A 107 -2.376 -10.068 4.564 1.00 74.41 C ATOM 1719 OH TYR A 107 -3.660 -9.609 4.341 1.00 21.41 O ATOM 0 H TYR A 107 2.088 -11.950 2.809 1.00 22.33 H new ATOM 0 HA TYR A 107 2.604 -9.746 4.480 1.00 34.55 H new ATOM 0 HB2 TYR A 107 1.683 -12.586 5.061 1.00 52.54 H new ATOM 0 HB3 TYR A 107 1.868 -11.393 6.332 1.00 52.54 H new ATOM 0 HD1 TYR A 107 0.590 -9.029 5.744 1.00 11.11 H new ATOM 0 HD2 TYR A 107 -0.508 -12.845 4.200 1.00 44.31 H new ATOM 0 HE1 TYR A 107 -1.693 -8.215 5.371 1.00 5.45 H new ATOM 0 HE2 TYR A 107 -2.777 -12.019 3.799 1.00 44.34 H new ATOM 0 HH TYR A 107 -4.305 -10.258 4.692 1.00 21.41 H new ATOM 1729 N GLN A 108 4.618 -12.390 4.841 1.00 4.04 N ATOM 1730 CA GLN A 108 5.897 -12.917 5.360 1.00 53.32 C ATOM 1731 C GLN A 108 7.068 -12.076 4.817 1.00 22.21 C ATOM 1732 O GLN A 108 7.916 -11.617 5.584 1.00 42.42 O ATOM 1733 CB GLN A 108 6.035 -14.423 4.952 1.00 43.21 C ATOM 1734 CG GLN A 108 7.094 -15.263 5.716 1.00 61.24 C ATOM 1735 CD GLN A 108 8.544 -15.023 5.269 1.00 31.34 C ATOM 1736 OE1 GLN A 108 9.051 -15.684 4.366 1.00 63.34 O ATOM 1737 NE2 GLN A 108 9.213 -14.071 5.888 1.00 62.43 N ATOM 0 H GLN A 108 4.108 -13.064 4.270 1.00 4.04 H new ATOM 0 HA GLN A 108 5.917 -12.851 6.448 1.00 53.32 H new ATOM 0 HB2 GLN A 108 5.064 -14.900 5.083 1.00 43.21 H new ATOM 0 HB3 GLN A 108 6.270 -14.466 3.889 1.00 43.21 H new ATOM 0 HG2 GLN A 108 7.015 -15.042 6.780 1.00 61.24 H new ATOM 0 HG3 GLN A 108 6.859 -16.320 5.591 1.00 61.24 H new ATOM 0 HE21 GLN A 108 8.768 -13.537 6.635 1.00 62.43 H new ATOM 0 HE22 GLN A 108 10.176 -13.868 5.620 1.00 62.43 H new ATOM 1746 N LYS A 109 7.083 -11.872 3.486 1.00 70.15 N ATOM 1747 CA LYS A 109 8.144 -11.122 2.797 1.00 35.12 C ATOM 1748 C LYS A 109 8.158 -9.650 3.207 1.00 0.34 C ATOM 1749 O LYS A 109 9.225 -9.041 3.265 1.00 35.01 O ATOM 1750 CB LYS A 109 8.016 -11.263 1.255 1.00 64.20 C ATOM 1751 CG LYS A 109 8.301 -12.687 0.725 1.00 70.10 C ATOM 1752 CD LYS A 109 9.685 -13.234 1.157 1.00 2.34 C ATOM 1753 CE LYS A 109 10.858 -12.392 0.625 1.00 24.31 C ATOM 1754 NZ LYS A 109 12.170 -12.845 1.167 1.00 35.31 N ATOM 0 H LYS A 109 6.358 -12.224 2.860 1.00 70.15 H new ATOM 0 HA LYS A 109 9.096 -11.556 3.103 1.00 35.12 H new ATOM 0 HB2 LYS A 109 7.009 -10.971 0.957 1.00 64.20 H new ATOM 0 HB3 LYS A 109 8.705 -10.565 0.779 1.00 64.20 H new ATOM 0 HG2 LYS A 109 7.523 -13.363 1.081 1.00 70.10 H new ATOM 0 HG3 LYS A 109 8.244 -12.681 -0.363 1.00 70.10 H new ATOM 0 HD2 LYS A 109 9.733 -13.267 2.245 1.00 2.34 H new ATOM 0 HD3 LYS A 109 9.791 -14.259 0.802 1.00 2.34 H new ATOM 0 HE2 LYS A 109 10.878 -12.448 -0.463 1.00 24.31 H new ATOM 0 HE3 LYS A 109 10.700 -11.346 0.888 1.00 24.31 H new ATOM 0 HZ1 LYS A 109 12.884 -12.825 0.411 1.00 35.31 H new ATOM 0 HZ2 LYS A 109 12.465 -12.212 1.938 1.00 35.31 H new ATOM 0 HZ3 LYS A 109 12.079 -13.815 1.532 1.00 35.31 H new ATOM 1768 N ALA A 110 6.972 -9.098 3.500 1.00 43.25 N ATOM 1769 CA ALA A 110 6.835 -7.729 4.013 1.00 22.24 C ATOM 1770 C ALA A 110 7.438 -7.612 5.431 1.00 0.13 C ATOM 1771 O ALA A 110 8.121 -6.627 5.740 1.00 54.03 O ATOM 1772 CB ALA A 110 5.364 -7.300 3.974 1.00 14.24 C ATOM 0 H ALA A 110 6.084 -9.587 3.388 1.00 43.25 H new ATOM 0 HA ALA A 110 7.397 -7.049 3.373 1.00 22.24 H new ATOM 0 HB1 ALA A 110 5.271 -6.283 4.356 1.00 14.24 H new ATOM 0 HB2 ALA A 110 5.002 -7.336 2.947 1.00 14.24 H new ATOM 0 HB3 ALA A 110 4.772 -7.975 4.591 1.00 14.24 H new ATOM 1778 N LEU A 111 7.192 -8.637 6.281 1.00 74.12 N ATOM 1779 CA LEU A 111 7.834 -8.751 7.618 1.00 1.14 C ATOM 1780 C LEU A 111 9.368 -8.880 7.480 1.00 71.05 C ATOM 1781 O LEU A 111 10.128 -8.336 8.290 1.00 64.33 O ATOM 1782 CB LEU A 111 7.272 -9.978 8.395 1.00 11.40 C ATOM 1783 CG LEU A 111 5.768 -9.902 8.816 1.00 61.02 C ATOM 1784 CD1 LEU A 111 5.294 -11.226 9.447 1.00 31.13 C ATOM 1785 CD2 LEU A 111 5.519 -8.719 9.770 1.00 11.31 C ATOM 0 H LEU A 111 6.551 -9.401 6.066 1.00 74.12 H new ATOM 0 HA LEU A 111 7.606 -7.843 8.177 1.00 1.14 H new ATOM 0 HB2 LEU A 111 7.410 -10.866 7.778 1.00 11.40 H new ATOM 0 HB3 LEU A 111 7.872 -10.118 9.294 1.00 11.40 H new ATOM 0 HG LEU A 111 5.182 -9.736 7.912 1.00 61.02 H new ATOM 0 HD11 LEU A 111 4.245 -11.140 9.729 1.00 31.13 H new ATOM 0 HD12 LEU A 111 5.411 -12.035 8.726 1.00 31.13 H new ATOM 0 HD13 LEU A 111 5.891 -11.441 10.333 1.00 31.13 H new ATOM 0 HD21 LEU A 111 4.465 -8.690 10.047 1.00 11.31 H new ATOM 0 HD22 LEU A 111 6.126 -8.841 10.667 1.00 11.31 H new ATOM 0 HD23 LEU A 111 5.789 -7.787 9.273 1.00 11.31 H new ATOM 1797 N ASP A 112 9.783 -9.597 6.418 1.00 5.13 N ATOM 1798 CA ASP A 112 11.197 -9.854 6.077 1.00 31.13 C ATOM 1799 C ASP A 112 11.908 -8.568 5.589 1.00 44.40 C ATOM 1800 O ASP A 112 13.141 -8.483 5.629 1.00 50.23 O ATOM 1801 CB ASP A 112 11.260 -10.992 5.013 1.00 11.12 C ATOM 1802 CG ASP A 112 12.688 -11.371 4.571 1.00 41.34 C ATOM 1803 OD1 ASP A 112 13.439 -11.932 5.396 1.00 21.34 O ATOM 1804 OD2 ASP A 112 13.060 -11.122 3.397 1.00 11.23 O ATOM 0 H ASP A 112 9.131 -10.023 5.759 1.00 5.13 H new ATOM 0 HA ASP A 112 11.731 -10.174 6.972 1.00 31.13 H new ATOM 0 HB2 ASP A 112 10.770 -11.878 5.417 1.00 11.12 H new ATOM 0 HB3 ASP A 112 10.690 -10.685 4.136 1.00 11.12 H new ATOM 1809 N LEU A 113 11.120 -7.564 5.143 1.00 15.51 N ATOM 1810 CA LEU A 113 11.650 -6.231 4.775 1.00 53.31 C ATOM 1811 C LEU A 113 12.102 -5.478 6.050 1.00 64.40 C ATOM 1812 O LEU A 113 13.297 -5.197 6.220 1.00 11.34 O ATOM 1813 CB LEU A 113 10.582 -5.402 3.986 1.00 4.14 C ATOM 1814 CG LEU A 113 10.026 -6.053 2.678 1.00 34.01 C ATOM 1815 CD1 LEU A 113 8.932 -5.180 2.025 1.00 2.54 C ATOM 1816 CD2 LEU A 113 11.155 -6.386 1.678 1.00 34.40 C ATOM 0 H LEU A 113 10.110 -7.652 5.029 1.00 15.51 H new ATOM 0 HA LEU A 113 12.512 -6.364 4.121 1.00 53.31 H new ATOM 0 HB2 LEU A 113 9.743 -5.203 4.653 1.00 4.14 H new ATOM 0 HB3 LEU A 113 11.020 -4.438 3.729 1.00 4.14 H new ATOM 0 HG LEU A 113 9.560 -6.996 2.965 1.00 34.01 H new ATOM 0 HD11 LEU A 113 8.571 -5.666 1.119 1.00 2.54 H new ATOM 0 HD12 LEU A 113 8.104 -5.052 2.722 1.00 2.54 H new ATOM 0 HD13 LEU A 113 9.348 -4.205 1.772 1.00 2.54 H new ATOM 0 HD21 LEU A 113 10.727 -6.837 0.783 1.00 34.40 H new ATOM 0 HD22 LEU A 113 11.683 -5.471 1.407 1.00 34.40 H new ATOM 0 HD23 LEU A 113 11.854 -7.085 2.138 1.00 34.40 H new ATOM 1828 N ASP A 114 11.134 -5.182 6.946 1.00 35.00 N ATOM 1829 CA ASP A 114 11.394 -4.487 8.232 1.00 31.12 C ATOM 1830 C ASP A 114 10.166 -4.599 9.161 1.00 0.25 C ATOM 1831 O ASP A 114 9.029 -4.768 8.691 1.00 62.11 O ATOM 1832 CB ASP A 114 11.796 -2.995 7.984 1.00 60.22 C ATOM 1833 CG ASP A 114 11.948 -2.151 9.267 1.00 14.12 C ATOM 1834 OD1 ASP A 114 12.797 -2.480 10.120 1.00 51.32 O ATOM 1835 OD2 ASP A 114 11.205 -1.168 9.440 1.00 21.44 O ATOM 0 H ASP A 114 10.152 -5.416 6.801 1.00 35.00 H new ATOM 0 HA ASP A 114 12.234 -4.973 8.729 1.00 31.12 H new ATOM 0 HB2 ASP A 114 12.738 -2.972 7.436 1.00 60.22 H new ATOM 0 HB3 ASP A 114 11.044 -2.531 7.346 1.00 60.22 H new ATOM 1840 N SER A 115 10.414 -4.462 10.483 1.00 23.22 N ATOM 1841 CA SER A 115 9.393 -4.579 11.546 1.00 21.24 C ATOM 1842 C SER A 115 8.303 -3.484 11.469 1.00 10.30 C ATOM 1843 O SER A 115 7.275 -3.596 12.141 1.00 72.20 O ATOM 1844 CB SER A 115 10.087 -4.564 12.929 1.00 70.22 C ATOM 1845 OG SER A 115 10.978 -3.463 13.050 1.00 15.44 O ATOM 0 H SER A 115 11.346 -4.264 10.846 1.00 23.22 H new ATOM 0 HA SER A 115 8.876 -5.527 11.397 1.00 21.24 H new ATOM 0 HB2 SER A 115 9.334 -4.513 13.715 1.00 70.22 H new ATOM 0 HB3 SER A 115 10.635 -5.495 13.073 1.00 70.22 H new ATOM 0 HG SER A 115 11.400 -3.479 13.934 1.00 15.44 H new ATOM 1851 N SER A 116 8.492 -2.443 10.626 1.00 70.43 N ATOM 1852 CA SER A 116 7.412 -1.479 10.301 1.00 34.12 C ATOM 1853 C SER A 116 6.213 -2.170 9.610 1.00 34.22 C ATOM 1854 O SER A 116 5.182 -1.542 9.375 1.00 1.23 O ATOM 1855 CB SER A 116 7.950 -0.324 9.420 1.00 11.45 C ATOM 1856 OG SER A 116 8.853 0.489 10.148 1.00 0.43 O ATOM 0 H SER A 116 9.378 -2.248 10.160 1.00 70.43 H new ATOM 0 HA SER A 116 7.057 -1.064 11.244 1.00 34.12 H new ATOM 0 HB2 SER A 116 8.450 -0.733 8.542 1.00 11.45 H new ATOM 0 HB3 SER A 116 7.118 0.282 9.060 1.00 11.45 H new ATOM 0 HG SER A 116 9.762 0.134 10.054 1.00 0.43 H new ATOM 1862 N CYS A 117 6.383 -3.454 9.258 1.00 15.15 N ATOM 1863 CA CYS A 117 5.326 -4.299 8.700 1.00 25.41 C ATOM 1864 C CYS A 117 4.606 -5.173 9.753 1.00 52.25 C ATOM 1865 O CYS A 117 3.875 -6.071 9.359 1.00 31.10 O ATOM 1866 CB CYS A 117 5.939 -5.207 7.632 1.00 41.02 C ATOM 1867 SG CYS A 117 4.719 -6.136 6.707 1.00 54.31 S ATOM 0 H CYS A 117 7.275 -3.938 9.356 1.00 15.15 H new ATOM 0 HA CYS A 117 4.572 -3.632 8.282 1.00 25.41 H new ATOM 0 HB2 CYS A 117 6.524 -4.600 6.941 1.00 41.02 H new ATOM 0 HB3 CYS A 117 6.630 -5.902 8.109 1.00 41.02 H new ATOM 0 HG CYS A 117 3.935 -5.314 6.075 1.00 54.31 H new ATOM 1873 N LYS A 118 4.815 -4.949 11.083 1.00 72.55 N ATOM 1874 CA LYS A 118 4.190 -5.807 12.159 1.00 31.13 C ATOM 1875 C LYS A 118 2.676 -6.118 11.938 1.00 63.51 C ATOM 1876 O LYS A 118 2.205 -7.204 12.307 1.00 52.43 O ATOM 1877 CB LYS A 118 4.406 -5.188 13.578 1.00 73.44 C ATOM 1878 CG LYS A 118 5.813 -5.417 14.181 1.00 53.30 C ATOM 1879 CD LYS A 118 6.163 -6.915 14.381 1.00 72.34 C ATOM 1880 CE LYS A 118 5.300 -7.593 15.462 1.00 52.01 C ATOM 1881 NZ LYS A 118 5.692 -9.015 15.673 1.00 71.23 N ATOM 0 H LYS A 118 5.401 -4.195 11.442 1.00 72.55 H new ATOM 0 HA LYS A 118 4.712 -6.762 12.091 1.00 31.13 H new ATOM 0 HB2 LYS A 118 4.220 -4.115 13.523 1.00 73.44 H new ATOM 0 HB3 LYS A 118 3.663 -5.605 14.258 1.00 73.44 H new ATOM 0 HG2 LYS A 118 6.558 -4.962 13.528 1.00 53.30 H new ATOM 0 HG3 LYS A 118 5.876 -4.906 15.142 1.00 53.30 H new ATOM 0 HD2 LYS A 118 6.033 -7.443 13.436 1.00 72.34 H new ATOM 0 HD3 LYS A 118 7.214 -7.004 14.654 1.00 72.34 H new ATOM 0 HE2 LYS A 118 5.397 -7.046 16.400 1.00 52.01 H new ATOM 0 HE3 LYS A 118 4.250 -7.545 15.172 1.00 52.01 H new ATOM 0 HZ1 LYS A 118 5.088 -9.436 16.408 1.00 71.23 H new ATOM 0 HZ2 LYS A 118 5.575 -9.543 14.784 1.00 71.23 H new ATOM 0 HZ3 LYS A 118 6.686 -9.060 15.974 1.00 71.23 H new ATOM 1895 N GLU A 119 1.945 -5.175 11.311 1.00 50.34 N ATOM 1896 CA GLU A 119 0.511 -5.328 10.959 1.00 70.01 C ATOM 1897 C GLU A 119 0.227 -6.600 10.103 1.00 22.11 C ATOM 1898 O GLU A 119 -0.827 -7.239 10.236 1.00 41.12 O ATOM 1899 CB GLU A 119 0.029 -4.058 10.207 1.00 54.13 C ATOM 1900 CG GLU A 119 0.825 -3.722 8.920 1.00 11.33 C ATOM 1901 CD GLU A 119 0.222 -2.547 8.132 1.00 61.15 C ATOM 1902 OE1 GLU A 119 -0.835 -2.728 7.506 1.00 72.21 O ATOM 1903 OE2 GLU A 119 0.776 -1.438 8.156 1.00 55.05 O ATOM 0 H GLU A 119 2.334 -4.275 11.030 1.00 50.34 H new ATOM 0 HA GLU A 119 -0.043 -5.451 11.890 1.00 70.01 H new ATOM 0 HB2 GLU A 119 -1.021 -4.185 9.945 1.00 54.13 H new ATOM 0 HB3 GLU A 119 0.087 -3.207 10.886 1.00 54.13 H new ATOM 0 HG2 GLU A 119 1.854 -3.483 9.188 1.00 11.33 H new ATOM 0 HG3 GLU A 119 0.859 -4.603 8.279 1.00 11.33 H new ATOM 1910 N ALA A 120 1.198 -6.943 9.241 1.00 11.25 N ATOM 1911 CA ALA A 120 1.150 -8.110 8.350 1.00 1.42 C ATOM 1912 C ALA A 120 1.231 -9.446 9.105 1.00 43.44 C ATOM 1913 O ALA A 120 0.832 -10.477 8.557 1.00 31.31 O ATOM 1914 CB ALA A 120 2.286 -8.021 7.328 1.00 50.31 C ATOM 0 H ALA A 120 2.058 -6.403 9.143 1.00 11.25 H new ATOM 0 HA ALA A 120 0.183 -8.090 7.847 1.00 1.42 H new ATOM 0 HB1 ALA A 120 2.250 -8.887 6.667 1.00 50.31 H new ATOM 0 HB2 ALA A 120 2.175 -7.111 6.739 1.00 50.31 H new ATOM 0 HB3 ALA A 120 3.243 -8.002 7.849 1.00 50.31 H new ATOM 1920 N ALA A 121 1.755 -9.427 10.353 1.00 33.13 N ATOM 1921 CA ALA A 121 1.811 -10.637 11.201 1.00 24.23 C ATOM 1922 C ALA A 121 0.385 -11.087 11.561 1.00 44.30 C ATOM 1923 O ALA A 121 0.033 -12.257 11.407 1.00 34.10 O ATOM 1924 CB ALA A 121 2.650 -10.379 12.463 1.00 13.43 C ATOM 0 H ALA A 121 2.142 -8.591 10.791 1.00 33.13 H new ATOM 0 HA ALA A 121 2.296 -11.439 10.644 1.00 24.23 H new ATOM 0 HB1 ALA A 121 2.678 -11.282 13.072 1.00 13.43 H new ATOM 0 HB2 ALA A 121 3.665 -10.104 12.175 1.00 13.43 H new ATOM 0 HB3 ALA A 121 2.203 -9.568 13.037 1.00 13.43 H new ATOM 1930 N ASP A 122 -0.441 -10.111 11.975 1.00 32.24 N ATOM 1931 CA ASP A 122 -1.855 -10.339 12.340 1.00 40.33 C ATOM 1932 C ASP A 122 -2.685 -10.734 11.092 1.00 73.03 C ATOM 1933 O ASP A 122 -3.605 -11.562 11.179 1.00 43.03 O ATOM 1934 CB ASP A 122 -2.435 -9.064 13.012 1.00 1.22 C ATOM 1935 CG ASP A 122 -3.848 -9.269 13.600 1.00 63.41 C ATOM 1936 OD1 ASP A 122 -3.962 -9.913 14.662 1.00 64.25 O ATOM 1937 OD2 ASP A 122 -4.842 -8.781 13.018 1.00 61.05 O ATOM 0 H ASP A 122 -0.149 -9.138 12.067 1.00 32.24 H new ATOM 0 HA ASP A 122 -1.910 -11.164 13.050 1.00 40.33 H new ATOM 0 HB2 ASP A 122 -1.762 -8.743 13.807 1.00 1.22 H new ATOM 0 HB3 ASP A 122 -2.468 -8.259 12.278 1.00 1.22 H new ATOM 1942 N GLY A 123 -2.323 -10.131 9.935 1.00 3.05 N ATOM 1943 CA GLY A 123 -2.960 -10.437 8.646 1.00 3.11 C ATOM 1944 C GLY A 123 -2.607 -11.820 8.116 1.00 10.32 C ATOM 1945 O GLY A 123 -3.417 -12.451 7.424 1.00 4.35 O ATOM 0 H GLY A 123 -1.588 -9.426 9.875 1.00 3.05 H new ATOM 0 HA2 GLY A 123 -4.042 -10.362 8.756 1.00 3.11 H new ATOM 0 HA3 GLY A 123 -2.662 -9.687 7.913 1.00 3.11 H new ATOM 1949 N TYR A 124 -1.381 -12.283 8.443 1.00 54.01 N ATOM 1950 CA TYR A 124 -0.897 -13.630 8.098 1.00 74.35 C ATOM 1951 C TYR A 124 -1.791 -14.700 8.751 1.00 64.13 C ATOM 1952 O TYR A 124 -2.399 -15.511 8.031 1.00 2.44 O ATOM 1953 CB TYR A 124 0.592 -13.784 8.529 1.00 23.31 C ATOM 1954 CG TYR A 124 1.200 -15.189 8.357 1.00 1.13 C ATOM 1955 CD1 TYR A 124 0.976 -15.948 7.206 1.00 43.34 C ATOM 1956 CD2 TYR A 124 2.002 -15.759 9.352 1.00 12.43 C ATOM 1957 CE1 TYR A 124 1.520 -17.213 7.061 1.00 21.23 C ATOM 1958 CE2 TYR A 124 2.547 -17.021 9.204 1.00 61.02 C ATOM 1959 CZ TYR A 124 2.302 -17.743 8.059 1.00 2.33 C ATOM 1960 OH TYR A 124 2.842 -19.009 7.914 1.00 13.31 O ATOM 0 H TYR A 124 -0.698 -11.726 8.957 1.00 54.01 H new ATOM 0 HA TYR A 124 -0.951 -13.770 7.018 1.00 74.35 H new ATOM 0 HB2 TYR A 124 1.191 -13.077 7.955 1.00 23.31 H new ATOM 0 HB3 TYR A 124 0.678 -13.498 9.577 1.00 23.31 H new ATOM 0 HD1 TYR A 124 0.366 -15.540 6.413 1.00 43.34 H new ATOM 0 HD2 TYR A 124 2.200 -15.201 10.255 1.00 12.43 H new ATOM 0 HE1 TYR A 124 1.330 -17.783 6.164 1.00 21.23 H new ATOM 0 HE2 TYR A 124 3.164 -17.439 9.986 1.00 61.02 H new ATOM 0 HH TYR A 124 3.370 -19.233 8.709 1.00 13.31 H new ATOM 1970 N GLN A 125 -1.895 -14.661 10.106 1.00 51.22 N ATOM 1971 CA GLN A 125 -2.763 -15.579 10.882 1.00 12.25 C ATOM 1972 C GLN A 125 -4.211 -15.603 10.346 1.00 65.44 C ATOM 1973 O GLN A 125 -4.851 -16.654 10.351 1.00 41.05 O ATOM 1974 CB GLN A 125 -2.757 -15.216 12.397 1.00 60.40 C ATOM 1975 CG GLN A 125 -1.603 -15.822 13.227 1.00 42.24 C ATOM 1976 CD GLN A 125 -0.212 -15.457 12.719 1.00 4.44 C ATOM 1977 OE1 GLN A 125 0.265 -14.302 13.107 1.00 72.12 O flip ATOM 1978 NE2 GLN A 125 0.402 -16.187 11.945 1.00 63.11 N flip ATOM 0 H GLN A 125 -1.382 -13.996 10.685 1.00 51.22 H new ATOM 0 HA GLN A 125 -2.347 -16.579 10.760 1.00 12.25 H new ATOM 0 HB2 GLN A 125 -2.717 -14.131 12.492 1.00 60.40 H new ATOM 0 HB3 GLN A 125 -3.702 -15.539 12.833 1.00 60.40 H new ATOM 0 HG2 GLN A 125 -1.699 -15.489 14.261 1.00 42.24 H new ATOM 0 HG3 GLN A 125 -1.703 -16.907 13.231 1.00 42.24 H new ATOM 0 HE21 GLN A 125 0.002 -17.082 11.662 1.00 63.11 H new ATOM 0 HE22 GLN A 125 1.312 -15.899 11.585 1.00 63.11 H new ATOM 1987 N ARG A 126 -4.697 -14.445 9.860 1.00 41.25 N ATOM 1988 CA ARG A 126 -6.057 -14.324 9.313 1.00 44.45 C ATOM 1989 C ARG A 126 -6.182 -15.037 7.946 1.00 11.51 C ATOM 1990 O ARG A 126 -7.220 -15.636 7.660 1.00 2.30 O ATOM 1991 CB ARG A 126 -6.472 -12.838 9.195 1.00 73.52 C ATOM 1992 CG ARG A 126 -7.955 -12.618 8.815 1.00 24.03 C ATOM 1993 CD ARG A 126 -8.335 -11.132 8.745 1.00 1.33 C ATOM 1994 NE ARG A 126 -7.557 -10.419 7.720 1.00 5.20 N ATOM 1995 CZ ARG A 126 -6.829 -9.306 7.911 1.00 14.33 C ATOM 1996 NH1 ARG A 126 -6.736 -8.729 9.105 1.00 23.40 N ATOM 1997 NH2 ARG A 126 -6.178 -8.795 6.874 1.00 75.42 N ATOM 0 H ARG A 126 -4.162 -13.577 9.836 1.00 41.25 H new ATOM 0 HA ARG A 126 -6.737 -14.817 10.008 1.00 44.45 H new ATOM 0 HB2 ARG A 126 -6.275 -12.342 10.145 1.00 73.52 H new ATOM 0 HB3 ARG A 126 -5.842 -12.356 8.447 1.00 73.52 H new ATOM 0 HG2 ARG A 126 -8.152 -13.085 7.850 1.00 24.03 H new ATOM 0 HG3 ARG A 126 -8.591 -13.117 9.546 1.00 24.03 H new ATOM 0 HD2 ARG A 126 -9.398 -11.038 8.525 1.00 1.33 H new ATOM 0 HD3 ARG A 126 -8.168 -10.668 9.717 1.00 1.33 H new ATOM 0 HE ARG A 126 -7.572 -10.806 6.776 1.00 5.20 H new ATOM 0 HH11 ARG A 126 -7.225 -9.131 9.905 1.00 23.40 H new ATOM 0 HH12 ARG A 126 -6.176 -7.884 9.221 1.00 23.40 H new ATOM 0 HH21 ARG A 126 -6.238 -9.246 5.961 1.00 75.42 H new ATOM 0 HH22 ARG A 126 -5.617 -7.951 6.989 1.00 75.42 H new ATOM 2011 N CYS A 127 -5.106 -15.015 7.127 1.00 14.04 N ATOM 2012 CA CYS A 127 -5.130 -15.607 5.766 1.00 32.34 C ATOM 2013 C CYS A 127 -5.002 -17.128 5.827 1.00 72.40 C ATOM 2014 O CYS A 127 -5.771 -17.842 5.166 1.00 42.33 O ATOM 2015 CB CYS A 127 -4.031 -15.011 4.867 1.00 11.33 C ATOM 2016 SG CYS A 127 -4.391 -13.339 4.340 1.00 70.31 S ATOM 0 H CYS A 127 -4.212 -14.596 7.382 1.00 14.04 H new ATOM 0 HA CYS A 127 -6.095 -15.358 5.324 1.00 32.34 H new ATOM 0 HB2 CYS A 127 -3.083 -15.020 5.406 1.00 11.33 H new ATOM 0 HB3 CYS A 127 -3.905 -15.644 3.989 1.00 11.33 H new ATOM 0 HG CYS A 127 -3.552 -12.518 4.898 1.00 70.31 H new ATOM 2022 N MET A 128 -4.025 -17.617 6.622 1.00 52.44 N ATOM 2023 CA MET A 128 -3.846 -19.064 6.833 1.00 72.42 C ATOM 2024 C MET A 128 -5.114 -19.693 7.454 1.00 41.41 C ATOM 2025 O MET A 128 -5.509 -20.779 7.057 1.00 52.41 O ATOM 2026 CB MET A 128 -2.598 -19.385 7.703 1.00 71.54 C ATOM 2027 CG MET A 128 -2.600 -18.770 9.109 1.00 24.02 C ATOM 2028 SD MET A 128 -1.456 -19.583 10.242 1.00 35.31 S ATOM 2029 CE MET A 128 -2.227 -21.196 10.421 1.00 34.25 C ATOM 0 H MET A 128 -3.355 -17.033 7.123 1.00 52.44 H new ATOM 0 HA MET A 128 -3.679 -19.507 5.851 1.00 72.42 H new ATOM 0 HB2 MET A 128 -2.511 -20.467 7.798 1.00 71.54 H new ATOM 0 HB3 MET A 128 -1.709 -19.039 7.175 1.00 71.54 H new ATOM 0 HG2 MET A 128 -2.341 -17.714 9.037 1.00 24.02 H new ATOM 0 HG3 MET A 128 -3.608 -18.823 9.520 1.00 24.02 H new ATOM 0 HE1 MET A 128 -1.917 -21.645 11.365 1.00 34.25 H new ATOM 0 HE2 MET A 128 -3.311 -21.084 10.411 1.00 34.25 H new ATOM 0 HE3 MET A 128 -1.921 -21.839 9.596 1.00 34.25 H new ATOM 2039 N MET A 129 -5.772 -18.983 8.401 1.00 53.44 N ATOM 2040 CA MET A 129 -6.996 -19.502 9.052 1.00 24.10 C ATOM 2041 C MET A 129 -8.215 -19.399 8.115 1.00 63.14 C ATOM 2042 O MET A 129 -9.123 -20.209 8.218 1.00 74.41 O ATOM 2043 CB MET A 129 -7.291 -18.789 10.411 1.00 42.14 C ATOM 2044 CG MET A 129 -8.057 -17.458 10.320 1.00 10.43 C ATOM 2045 SD MET A 129 -8.379 -16.714 11.932 1.00 12.11 S ATOM 2046 CE MET A 129 -9.522 -15.407 11.480 1.00 35.03 C ATOM 0 H MET A 129 -5.480 -18.062 8.727 1.00 53.44 H new ATOM 0 HA MET A 129 -6.812 -20.555 9.267 1.00 24.10 H new ATOM 0 HB2 MET A 129 -7.861 -19.472 11.041 1.00 42.14 H new ATOM 0 HB3 MET A 129 -6.343 -18.606 10.916 1.00 42.14 H new ATOM 0 HG2 MET A 129 -7.485 -16.758 9.711 1.00 10.43 H new ATOM 0 HG3 MET A 129 -9.005 -17.625 9.808 1.00 10.43 H new ATOM 0 HE1 MET A 129 -9.339 -14.532 12.103 1.00 35.03 H new ATOM 0 HE2 MET A 129 -9.377 -15.143 10.432 1.00 35.03 H new ATOM 0 HE3 MET A 129 -10.545 -15.751 11.629 1.00 35.03 H new ATOM 2056 N ALA A 130 -8.218 -18.401 7.199 1.00 73.23 N ATOM 2057 CA ALA A 130 -9.364 -18.136 6.286 1.00 42.51 C ATOM 2058 C ALA A 130 -9.658 -19.338 5.373 1.00 62.12 C ATOM 2059 O ALA A 130 -10.817 -19.736 5.194 1.00 14.33 O ATOM 2060 CB ALA A 130 -9.088 -16.888 5.441 1.00 71.32 C ATOM 0 H ALA A 130 -7.435 -17.760 7.070 1.00 73.23 H new ATOM 0 HA ALA A 130 -10.246 -17.967 6.904 1.00 42.51 H new ATOM 0 HB1 ALA A 130 -9.933 -16.704 4.777 1.00 71.32 H new ATOM 0 HB2 ALA A 130 -8.948 -16.029 6.096 1.00 71.32 H new ATOM 0 HB3 ALA A 130 -8.187 -17.043 4.847 1.00 71.32 H new ATOM 2066 N GLN A 131 -8.580 -19.907 4.815 1.00 5.25 N ATOM 2067 CA GLN A 131 -8.641 -21.133 3.998 1.00 43.32 C ATOM 2068 C GLN A 131 -8.945 -22.378 4.866 1.00 44.24 C ATOM 2069 O GLN A 131 -9.312 -23.427 4.340 1.00 51.11 O ATOM 2070 CB GLN A 131 -7.316 -21.309 3.189 1.00 63.44 C ATOM 2071 CG GLN A 131 -6.039 -21.181 4.031 1.00 4.43 C ATOM 2072 CD GLN A 131 -4.729 -21.292 3.244 1.00 62.32 C ATOM 2073 OE1 GLN A 131 -4.650 -20.935 2.070 1.00 63.14 O ATOM 2074 NE2 GLN A 131 -3.688 -21.779 3.896 1.00 11.45 N ATOM 0 H GLN A 131 -7.637 -19.531 4.916 1.00 5.25 H new ATOM 0 HA GLN A 131 -9.463 -21.032 3.290 1.00 43.32 H new ATOM 0 HB2 GLN A 131 -7.324 -22.288 2.710 1.00 63.44 H new ATOM 0 HB3 GLN A 131 -7.288 -20.565 2.393 1.00 63.44 H new ATOM 0 HG2 GLN A 131 -6.056 -20.220 4.545 1.00 4.43 H new ATOM 0 HG3 GLN A 131 -6.050 -21.954 4.800 1.00 4.43 H new ATOM 0 HE21 GLN A 131 -3.785 -22.067 4.870 1.00 11.45 H new ATOM 0 HE22 GLN A 131 -2.787 -21.867 3.426 1.00 11.45 H new ATOM 2083 N TYR A 132 -8.783 -22.257 6.205 1.00 1.33 N ATOM 2084 CA TYR A 132 -9.110 -23.345 7.163 1.00 15.24 C ATOM 2085 C TYR A 132 -10.398 -22.988 7.950 1.00 44.34 C ATOM 2086 O TYR A 132 -10.534 -23.315 9.136 1.00 5.11 O ATOM 2087 CB TYR A 132 -7.910 -23.578 8.145 1.00 60.22 C ATOM 2088 CG TYR A 132 -6.530 -23.806 7.490 1.00 34.52 C ATOM 2089 CD1 TYR A 132 -6.396 -24.256 6.170 1.00 2.51 C ATOM 2090 CD2 TYR A 132 -5.352 -23.543 8.198 1.00 11.51 C ATOM 2091 CE1 TYR A 132 -5.160 -24.421 5.588 1.00 2.53 C ATOM 2092 CE2 TYR A 132 -4.110 -23.712 7.615 1.00 44.03 C ATOM 2093 CZ TYR A 132 -4.019 -24.149 6.311 1.00 31.01 C ATOM 2094 OH TYR A 132 -2.782 -24.303 5.724 1.00 35.04 O ATOM 0 H TYR A 132 -8.426 -21.412 6.650 1.00 1.33 H new ATOM 0 HA TYR A 132 -9.286 -24.267 6.609 1.00 15.24 H new ATOM 0 HB2 TYR A 132 -7.837 -22.716 8.808 1.00 60.22 H new ATOM 0 HB3 TYR A 132 -8.140 -24.441 8.769 1.00 60.22 H new ATOM 0 HD1 TYR A 132 -7.283 -24.479 5.596 1.00 2.51 H new ATOM 0 HD2 TYR A 132 -5.414 -23.201 9.221 1.00 11.51 H new ATOM 0 HE1 TYR A 132 -5.084 -24.763 4.566 1.00 2.53 H new ATOM 0 HE2 TYR A 132 -3.214 -23.502 8.180 1.00 44.03 H new ATOM 0 HH TYR A 132 -2.082 -24.069 6.369 1.00 35.04 H new ATOM 2104 N ASN A 133 -11.351 -22.333 7.260 1.00 0.20 N ATOM 2105 CA ASN A 133 -12.702 -22.035 7.784 1.00 45.53 C ATOM 2106 C ASN A 133 -13.736 -22.412 6.702 1.00 44.33 C ATOM 2107 O ASN A 133 -13.910 -21.634 5.744 1.00 63.13 O ATOM 2108 CB ASN A 133 -12.860 -20.532 8.219 1.00 25.45 C ATOM 2109 CG ASN A 133 -12.383 -20.245 9.646 1.00 70.14 C ATOM 2110 OD1 ASN A 133 -13.089 -20.533 10.614 1.00 41.13 O ATOM 2111 ND2 ASN A 133 -11.243 -19.598 9.793 1.00 2.12 N ATOM 2112 OXT ASN A 133 -14.338 -23.506 6.794 1.00 37.50 O ATOM 0 H ASN A 133 -11.204 -21.991 6.310 1.00 0.20 H new ATOM 0 HA ASN A 133 -12.867 -22.625 8.685 1.00 45.53 H new ATOM 0 HB2 ASN A 133 -12.301 -19.903 7.526 1.00 25.45 H new ATOM 0 HB3 ASN A 133 -13.909 -20.247 8.133 1.00 25.45 H new ATOM 0 HD21 ASN A 133 -10.928 -19.325 10.724 1.00 2.12 H new ATOM 0 HD22 ASN A 133 -10.676 -19.371 8.976 1.00 2.12 H new