USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 663 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: B 64 TYR OH : rot 169:sc= 0.285 USER MOD Set 1.2: B 76 SER OG : rot 72:sc= 1.31 USER MOD Set 2.1: B 71 THR OG1 : rot -10:sc= 1.48 USER MOD Set 2.2: B 74 ASN : amide:sc= 0.138 K(o=1.6,f=1.1) USER MOD Set 3.1: B 62 LYS NZ :NH3+ 157:sc= 0.725 (180deg=-0.0961) USER MOD Set 3.2: B 65 THR OG1 : rot -80:sc= -0.683 USER MOD Set 4.1: B 30 SER OG : rot 180:sc= -1.56! USER MOD Set 4.2: B 37 LYS NZ :NH3+ -134:sc= -1.33 (180deg=-3.77!) USER MOD Single : B 10 MET CE :methyl 169:sc= -0.448 (180deg=-0.77) USER MOD Single : B 11 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 12 SER OG : rot 165:sc= 0.337 USER MOD Single : B 14 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : B 15 SER OG : rot 76:sc= 0.00521 USER MOD Single : B 17 ASN : amide:sc= -2.24! C(o=-2.2!,f=-1.9!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.5!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -164:sc= -0.0504 (180deg=-0.269) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 156:sc= -0.191 (180deg=-0.804) USER MOD Single : B 32 ASN : amide:sc= -0.164 K(o=-0.16,f=-0.81) USER MOD Single : B 34 ASN : amide:sc= -0.878 K(o=-0.88,f=-2.9!) USER MOD Single : B 35 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.01) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -170:sc=-0.00345 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.097) USER MOD Single : B 59 ASN : amide:sc= -3.75! C(o=-3.8!,f=-6.2!) USER MOD Single : B 67 ASN : amide:sc= -0.691! C(o=-0.69!,f=-3.9!) USER MOD Single : B 69 LYS NZ :NH3+ -169:sc= -0.0123 (180deg=-0.172) USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc=-0.00605 K(o=-0.0061,f=-0.91) USER MOD Single : B 80 ASN : amide:sc= 1.42 K(o=1.4,f=0.054) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0367) USER MOD Single : B 87 MET CE :methyl -159:sc= -0.038 (180deg=-0.968) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -0.695 X(o=-0.7,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.547 -0.664 4.268 1.00 0.00 N ATOM 145 CA MET B 10 11.513 0.594 4.996 1.00 0.00 C ATOM 146 C MET B 10 10.541 0.527 6.168 1.00 0.00 C ATOM 147 O MET B 10 9.899 -0.500 6.398 1.00 0.00 O ATOM 148 CB MET B 10 11.105 1.736 4.065 1.00 0.00 C ATOM 149 CG MET B 10 12.007 1.896 2.853 1.00 0.00 C ATOM 150 SD MET B 10 11.447 3.206 1.749 1.00 0.00 S ATOM 151 CE MET B 10 11.568 4.634 2.824 1.00 0.00 C ATOM 0 HA MET B 10 12.515 0.779 5.383 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.083 1.567 3.725 1.00 0.00 H new ATOM 0 HB3 MET B 10 11.103 2.668 4.629 1.00 0.00 H new ATOM 0 HG2 MET B 10 13.022 2.113 3.185 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.046 0.954 2.305 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.445 5.544 2.236 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.788 4.585 3.584 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.545 4.644 3.307 1.00 0.00 H new ATOM 161 N ASN B 11 10.428 1.612 6.911 1.00 0.00 N ATOM 162 CA ASN B 11 9.481 1.687 8.003 1.00 0.00 C ATOM 163 C ASN B 11 8.049 1.592 7.478 1.00 0.00 C ATOM 164 O ASN B 11 7.170 1.010 8.122 1.00 0.00 O ATOM 165 CB ASN B 11 9.669 2.990 8.784 1.00 0.00 C ATOM 166 CG ASN B 11 11.028 3.085 9.452 1.00 0.00 C ATOM 167 OD1 ASN B 11 11.613 2.078 9.849 1.00 0.00 O ATOM 168 ND2 ASN B 11 11.543 4.296 9.578 1.00 0.00 N ATOM 0 H ASN B 11 10.984 2.456 6.776 1.00 0.00 H new ATOM 0 HA ASN B 11 9.663 0.847 8.673 1.00 0.00 H new ATOM 0 HB2 ASN B 11 9.542 3.835 8.107 1.00 0.00 H new ATOM 0 HB3 ASN B 11 8.890 3.069 9.542 1.00 0.00 H new ATOM 0 HD21 ASN B 11 12.456 4.419 10.017 1.00 0.00 H new ATOM 0 HD22 ASN B 11 11.028 5.107 9.236 1.00 0.00 H new ATOM 175 N SER B 12 7.847 2.109 6.272 1.00 0.00 N ATOM 176 CA SER B 12 6.522 2.259 5.699 1.00 0.00 C ATOM 177 C SER B 12 5.893 0.913 5.366 1.00 0.00 C ATOM 178 O SER B 12 4.675 0.814 5.259 1.00 0.00 O ATOM 179 CB SER B 12 6.610 3.120 4.441 1.00 0.00 C ATOM 180 OG SER B 12 7.337 4.308 4.700 1.00 0.00 O ATOM 0 H SER B 12 8.600 2.435 5.666 1.00 0.00 H new ATOM 0 HA SER B 12 5.885 2.743 6.439 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.094 2.558 3.642 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.607 3.369 4.093 1.00 0.00 H new ATOM 0 HG SER B 12 7.598 4.724 3.852 1.00 0.00 H new ATOM 186 N ILE B 13 6.724 -0.122 5.221 1.00 0.00 N ATOM 187 CA ILE B 13 6.242 -1.455 4.871 1.00 0.00 C ATOM 188 C ILE B 13 5.114 -1.880 5.801 1.00 0.00 C ATOM 189 O ILE B 13 4.022 -2.255 5.371 1.00 0.00 O ATOM 190 CB ILE B 13 7.364 -2.505 4.997 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.607 -2.072 4.225 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.886 -3.868 4.518 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.438 -2.066 2.720 1.00 0.00 C ATOM 0 H ILE B 13 7.735 -0.060 5.341 1.00 0.00 H new ATOM 0 HA ILE B 13 5.892 -1.403 3.840 1.00 0.00 H new ATOM 0 HB ILE B 13 7.629 -2.586 6.051 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.892 -1.071 4.550 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.431 -2.738 4.483 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.695 -4.592 4.616 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.036 -4.188 5.121 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.584 -3.801 3.473 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.368 -1.746 2.251 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.185 -3.070 2.378 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.638 -1.378 2.446 1.00 0.00 H new ATOM 205 N ASN B 14 5.399 -1.780 7.083 1.00 0.00 N ATOM 206 CA ASN B 14 4.495 -2.235 8.120 1.00 0.00 C ATOM 207 C ASN B 14 3.345 -1.257 8.290 1.00 0.00 C ATOM 208 O ASN B 14 2.215 -1.651 8.575 1.00 0.00 O ATOM 209 CB ASN B 14 5.266 -2.389 9.429 1.00 0.00 C ATOM 210 CG ASN B 14 6.477 -3.293 9.269 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.382 -4.506 9.432 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.626 -2.704 8.951 1.00 0.00 N ATOM 0 H ASN B 14 6.268 -1.379 7.437 1.00 0.00 H new ATOM 0 HA ASN B 14 4.076 -3.200 7.835 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.589 -1.408 9.778 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.606 -2.798 10.194 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.471 -3.264 8.834 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.663 -1.693 8.824 1.00 0.00 H new ATOM 219 N SER B 15 3.642 0.020 8.090 1.00 0.00 N ATOM 220 CA SER B 15 2.647 1.065 8.203 1.00 0.00 C ATOM 221 C SER B 15 1.569 0.908 7.133 1.00 0.00 C ATOM 222 O SER B 15 0.390 1.076 7.418 1.00 0.00 O ATOM 223 CB SER B 15 3.313 2.433 8.094 1.00 0.00 C ATOM 224 OG SER B 15 4.362 2.556 9.038 1.00 0.00 O ATOM 0 H SER B 15 4.575 0.354 7.847 1.00 0.00 H new ATOM 0 HA SER B 15 2.167 0.982 9.178 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.705 2.573 7.087 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.574 3.217 8.260 1.00 0.00 H new ATOM 0 HG SER B 15 5.138 2.041 8.734 1.00 0.00 H new ATOM 230 N VAL B 16 1.979 0.567 5.910 1.00 0.00 N ATOM 231 CA VAL B 16 1.031 0.350 4.818 1.00 0.00 C ATOM 232 C VAL B 16 0.091 -0.801 5.159 1.00 0.00 C ATOM 233 O VAL B 16 -1.125 -0.698 4.989 1.00 0.00 O ATOM 234 CB VAL B 16 1.739 0.042 3.479 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.728 -0.280 2.387 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.618 1.206 3.048 1.00 0.00 C ATOM 0 H VAL B 16 2.957 0.436 5.652 1.00 0.00 H new ATOM 0 HA VAL B 16 0.468 1.276 4.698 1.00 0.00 H new ATOM 0 HB VAL B 16 2.371 -0.832 3.635 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.253 -0.493 1.456 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.141 -1.151 2.680 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.064 0.573 2.243 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.105 0.964 2.103 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.004 2.098 2.922 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.376 1.391 3.809 1.00 0.00 H new ATOM 246 N ASN B 17 0.667 -1.883 5.667 1.00 0.00 N ATOM 247 CA ASN B 17 -0.099 -3.068 6.028 1.00 0.00 C ATOM 248 C ASN B 17 -1.097 -2.743 7.136 1.00 0.00 C ATOM 249 O ASN B 17 -2.243 -3.183 7.096 1.00 0.00 O ATOM 250 CB ASN B 17 0.843 -4.185 6.487 1.00 0.00 C ATOM 251 CG ASN B 17 0.216 -5.575 6.442 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.918 -6.568 6.267 1.00 0.00 O ATOM 253 ND2 ASN B 17 -1.099 -5.666 6.582 1.00 0.00 N ATOM 0 H ASN B 17 1.669 -1.964 5.839 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.649 -3.404 5.149 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.734 -4.178 5.859 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.170 -3.977 7.506 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.554 -6.578 6.546 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.656 -4.824 6.726 1.00 0.00 H new ATOM 260 N ASP B 18 -0.656 -1.968 8.120 1.00 0.00 N ATOM 261 CA ASP B 18 -1.506 -1.589 9.242 1.00 0.00 C ATOM 262 C ASP B 18 -2.569 -0.586 8.818 1.00 0.00 C ATOM 263 O ASP B 18 -3.684 -0.591 9.337 1.00 0.00 O ATOM 264 CB ASP B 18 -0.657 -0.998 10.367 1.00 0.00 C ATOM 265 CG ASP B 18 -0.711 -1.818 11.641 1.00 0.00 C ATOM 266 OD1 ASP B 18 0.015 -2.833 11.735 1.00 0.00 O ATOM 267 OD2 ASP B 18 -1.471 -1.444 12.564 1.00 0.00 O1- ATOM 0 H ASP B 18 0.290 -1.588 8.163 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.009 -2.488 9.599 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.378 -0.923 10.033 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.998 0.015 10.579 1.00 0.00 H new ATOM 272 N LYS B 19 -2.208 0.273 7.876 1.00 0.00 N ATOM 273 CA LYS B 19 -3.070 1.307 7.379 1.00 0.00 C ATOM 274 C LYS B 19 -4.245 0.739 6.588 1.00 0.00 C ATOM 275 O LYS B 19 -5.397 1.112 6.806 1.00 0.00 O ATOM 276 CB LYS B 19 -2.193 2.180 6.502 1.00 0.00 C ATOM 277 CG LYS B 19 -2.924 3.094 5.572 1.00 0.00 C ATOM 278 CD LYS B 19 -3.828 4.062 6.314 1.00 0.00 C ATOM 279 CE LYS B 19 -3.080 4.789 7.418 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.969 5.681 8.202 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.288 0.261 7.435 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.516 1.871 8.198 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.550 2.781 7.145 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.541 1.535 5.913 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.204 3.655 4.976 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.520 2.502 4.877 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.239 4.788 5.612 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.671 3.519 6.741 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.620 4.059 8.085 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.272 5.376 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.417 6.157 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -4.388 6.394 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.726 5.119 8.641 1.00 0.00 H new ATOM 294 N LEU B 20 -3.935 -0.156 5.671 1.00 0.00 N ATOM 295 CA LEU B 20 -4.943 -0.735 4.788 1.00 0.00 C ATOM 296 C LEU B 20 -5.772 -1.810 5.480 1.00 0.00 C ATOM 297 O LEU B 20 -6.763 -2.286 4.926 1.00 0.00 O ATOM 298 CB LEU B 20 -4.283 -1.315 3.541 1.00 0.00 C ATOM 299 CG LEU B 20 -3.685 -0.284 2.585 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.090 -0.968 1.365 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.743 0.724 2.172 1.00 0.00 C ATOM 0 H LEU B 20 -2.989 -0.503 5.513 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.620 0.071 4.505 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.494 -2.000 3.852 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.022 -1.905 2.999 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.884 0.246 3.101 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.669 -0.217 0.696 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.304 -1.655 1.680 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.869 -1.523 0.843 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.305 1.453 1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.562 0.207 1.672 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.123 1.236 3.056 1.00 0.00 H new ATOM 313 N ASN B 21 -5.384 -2.188 6.688 1.00 0.00 N ATOM 314 CA ASN B 21 -6.071 -3.215 7.405 1.00 0.00 C ATOM 315 C ASN B 21 -6.997 -2.546 8.408 1.00 0.00 C ATOM 316 O ASN B 21 -7.289 -1.350 8.298 1.00 0.00 O ATOM 317 CB ASN B 21 -5.041 -4.125 8.094 1.00 0.00 C ATOM 318 CG ASN B 21 -5.604 -5.469 8.525 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.561 -5.973 7.943 1.00 0.00 O ATOM 320 ND2 ASN B 21 -5.003 -6.063 9.543 1.00 0.00 N ATOM 0 H ASN B 21 -4.588 -1.786 7.184 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.667 -3.839 6.739 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.205 -4.292 7.414 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.643 -3.611 8.969 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.332 -6.972 9.870 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.211 -5.612 10.001 1.00 0.00 H new ATOM 327 N LYS B 22 -7.420 -3.308 9.385 1.00 0.00 N ATOM 328 CA LYS B 22 -8.399 -2.859 10.377 1.00 0.00 C ATOM 329 C LYS B 22 -9.640 -2.289 9.693 1.00 0.00 C ATOM 330 O LYS B 22 -10.240 -1.321 10.167 1.00 0.00 O ATOM 331 CB LYS B 22 -7.778 -1.814 11.299 1.00 0.00 C ATOM 332 CG LYS B 22 -6.522 -2.301 11.998 1.00 0.00 C ATOM 333 CD LYS B 22 -5.898 -1.208 12.848 1.00 0.00 C ATOM 334 CE LYS B 22 -6.819 -0.793 13.983 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.258 0.336 14.769 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.100 -4.266 9.526 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.700 -3.720 10.974 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.540 -0.923 10.718 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.512 -1.519 12.049 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.763 -3.159 12.626 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.801 -2.643 11.256 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.950 -1.559 13.257 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -5.675 -0.343 12.224 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.789 -0.506 13.577 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -6.989 -1.644 14.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.917 0.588 15.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.345 0.054 15.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.119 1.157 14.146 1.00 0.00 H new ATOM 349 N GLY B 23 -10.024 -2.900 8.584 1.00 0.00 N ATOM 350 CA GLY B 23 -11.115 -2.385 7.789 1.00 0.00 C ATOM 351 C GLY B 23 -12.084 -3.462 7.370 1.00 0.00 C ATOM 352 O GLY B 23 -12.535 -3.478 6.224 1.00 0.00 O ATOM 0 H GLY B 23 -9.595 -3.750 8.219 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.648 -1.624 8.359 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.714 -1.896 6.901 1.00 0.00 H new ATOM 356 N LYS B 24 -12.385 -4.373 8.301 1.00 0.00 N ATOM 357 CA LYS B 24 -13.401 -5.412 8.104 1.00 0.00 C ATOM 358 C LYS B 24 -12.943 -6.471 7.111 1.00 0.00 C ATOM 359 O LYS B 24 -12.748 -7.632 7.475 1.00 0.00 O ATOM 360 CB LYS B 24 -14.715 -4.780 7.650 1.00 0.00 C ATOM 361 CG LYS B 24 -15.257 -3.802 8.667 1.00 0.00 C ATOM 362 CD LYS B 24 -16.556 -3.160 8.217 1.00 0.00 C ATOM 363 CE LYS B 24 -17.130 -2.252 9.293 1.00 0.00 C ATOM 364 NZ LYS B 24 -17.483 -3.006 10.526 1.00 0.00 N1+ ATOM 0 H LYS B 24 -11.931 -4.411 9.213 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.557 -5.912 9.060 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.561 -4.267 6.701 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -15.452 -5.564 7.473 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.419 -4.318 9.613 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.515 -3.025 8.851 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -16.383 -2.584 7.308 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -17.280 -3.936 7.970 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -16.405 -1.476 9.537 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.017 -1.750 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.108 -2.425 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -17.972 -3.886 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -16.616 -3.234 11.053 1.00 0.00 H new ATOM 378 N GLY B 25 -12.801 -6.071 5.859 1.00 0.00 N ATOM 379 CA GLY B 25 -12.265 -6.957 4.848 1.00 0.00 C ATOM 380 C GLY B 25 -10.909 -7.486 5.248 1.00 0.00 C ATOM 381 O GLY B 25 -9.991 -6.706 5.494 1.00 0.00 O ATOM 0 H GLY B 25 -13.049 -5.141 5.522 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.951 -7.789 4.690 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -12.185 -6.425 3.900 1.00 0.00 H new ATOM 385 N LYS B 26 -10.782 -8.803 5.331 1.00 0.00 N ATOM 386 CA LYS B 26 -9.514 -9.413 5.691 1.00 0.00 C ATOM 387 C LYS B 26 -8.488 -9.040 4.646 1.00 0.00 C ATOM 388 O LYS B 26 -8.786 -9.081 3.455 1.00 0.00 O ATOM 389 CB LYS B 26 -9.628 -10.933 5.750 1.00 0.00 C ATOM 390 CG LYS B 26 -10.857 -11.442 6.475 1.00 0.00 C ATOM 391 CD LYS B 26 -10.881 -12.959 6.481 1.00 0.00 C ATOM 392 CE LYS B 26 -12.255 -13.501 6.835 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.640 -13.181 8.235 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.538 -9.465 5.155 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.220 -9.052 6.677 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.633 -11.324 4.733 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.740 -11.333 6.240 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.863 -11.068 7.499 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.756 -11.060 5.991 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.585 -13.331 5.500 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.148 -13.331 7.197 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.995 -13.085 6.152 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.265 -14.582 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.584 -13.570 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.949 -13.600 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.657 -12.149 8.363 1.00 0.00 H new ATOM 407 N LEU B 27 -7.301 -8.660 5.072 1.00 0.00 N ATOM 408 CA LEU B 27 -6.295 -8.216 4.160 1.00 0.00 C ATOM 409 C LEU B 27 -4.912 -8.333 4.792 1.00 0.00 C ATOM 410 O LEU B 27 -4.579 -7.614 5.734 1.00 0.00 O ATOM 411 CB LEU B 27 -6.590 -6.779 3.765 1.00 0.00 C ATOM 412 CG LEU B 27 -5.444 -6.094 3.074 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.224 -6.678 1.684 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.667 -4.596 3.012 1.00 0.00 C ATOM 0 H LEU B 27 -7.019 -8.654 6.052 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.305 -8.844 3.269 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.460 -6.763 3.109 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.855 -6.213 4.658 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.540 -6.270 3.657 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.390 -6.167 1.203 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.999 -7.741 1.768 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.125 -6.544 1.086 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.824 -4.123 2.508 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.584 -4.387 2.460 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.754 -4.199 4.023 1.00 0.00 H new ATOM 426 N SER B 28 -4.117 -9.255 4.280 1.00 0.00 N ATOM 427 CA SER B 28 -2.777 -9.483 4.791 1.00 0.00 C ATOM 428 C SER B 28 -1.733 -9.169 3.728 1.00 0.00 C ATOM 429 O SER B 28 -1.667 -9.842 2.700 1.00 0.00 O ATOM 430 CB SER B 28 -2.645 -10.932 5.254 1.00 0.00 C ATOM 431 OG SER B 28 -3.576 -11.219 6.288 1.00 0.00 O ATOM 0 H SER B 28 -4.379 -9.863 3.504 1.00 0.00 H new ATOM 0 HA SER B 28 -2.606 -8.819 5.638 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.812 -11.604 4.412 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.631 -11.113 5.611 1.00 0.00 H new ATOM 0 HG SER B 28 -3.476 -12.153 6.569 1.00 0.00 H new ATOM 437 N LEU B 29 -0.930 -8.138 3.970 1.00 0.00 N ATOM 438 CA LEU B 29 0.090 -7.728 3.021 1.00 0.00 C ATOM 439 C LEU B 29 1.441 -8.330 3.355 1.00 0.00 C ATOM 440 O LEU B 29 1.679 -8.822 4.461 1.00 0.00 O ATOM 441 CB LEU B 29 0.251 -6.204 2.980 1.00 0.00 C ATOM 442 CG LEU B 29 -0.830 -5.421 2.235 1.00 0.00 C ATOM 443 CD1 LEU B 29 -2.158 -5.513 2.954 1.00 0.00 C ATOM 444 CD2 LEU B 29 -0.413 -3.968 2.074 1.00 0.00 C ATOM 0 H LEU B 29 -0.969 -7.572 4.818 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.247 -8.089 2.049 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.291 -5.838 4.006 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.214 -5.975 2.523 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.950 -5.863 1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.910 -4.947 2.403 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.465 -6.557 3.019 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.057 -5.101 3.958 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.192 -3.423 1.542 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -0.264 -3.521 3.057 1.00 0.00 H new ATOM 0 HD23 LEU B 29 0.517 -3.917 1.508 1.00 0.00 H new ATOM 456 N SER B 30 2.302 -8.282 2.370 1.00 0.00 N ATOM 457 CA SER B 30 3.692 -8.619 2.501 1.00 0.00 C ATOM 458 C SER B 30 4.450 -7.941 1.374 1.00 0.00 C ATOM 459 O SER B 30 3.903 -7.751 0.289 1.00 0.00 O ATOM 460 CB SER B 30 3.885 -10.126 2.442 1.00 0.00 C ATOM 461 OG SER B 30 2.929 -10.736 1.586 1.00 0.00 O ATOM 0 H SER B 30 2.044 -7.998 1.425 1.00 0.00 H new ATOM 0 HA SER B 30 4.069 -8.277 3.465 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.891 -10.352 2.087 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.799 -10.545 3.444 1.00 0.00 H new ATOM 0 HG SER B 30 3.078 -11.704 1.566 1.00 0.00 H new ATOM 467 N MET B 31 5.680 -7.549 1.614 1.00 0.00 N ATOM 468 CA MET B 31 6.435 -6.847 0.591 1.00 0.00 C ATOM 469 C MET B 31 7.798 -7.471 0.402 1.00 0.00 C ATOM 470 O MET B 31 8.632 -7.481 1.307 1.00 0.00 O ATOM 471 CB MET B 31 6.577 -5.364 0.921 1.00 0.00 C ATOM 472 CG MET B 31 5.245 -4.660 1.132 1.00 0.00 C ATOM 473 SD MET B 31 5.405 -2.866 1.257 1.00 0.00 S ATOM 474 CE MET B 31 6.026 -2.458 -0.375 1.00 0.00 C ATOM 0 H MET B 31 6.177 -7.699 2.492 1.00 0.00 H new ATOM 0 HA MET B 31 5.878 -6.936 -0.342 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.183 -5.256 1.821 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.116 -4.870 0.113 1.00 0.00 H new ATOM 0 HG2 MET B 31 4.577 -4.903 0.305 1.00 0.00 H new ATOM 0 HG3 MET B 31 4.779 -5.042 2.040 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.781 -1.422 -0.609 1.00 0.00 H new ATOM 0 HE2 MET B 31 7.108 -2.588 -0.396 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.567 -3.115 -1.114 1.00 0.00 H new ATOM 484 N ASN B 32 8.013 -7.982 -0.791 1.00 0.00 N ATOM 485 CA ASN B 32 9.261 -8.641 -1.133 1.00 0.00 C ATOM 486 C ASN B 32 10.154 -7.667 -1.890 1.00 0.00 C ATOM 487 O ASN B 32 10.498 -7.886 -3.053 1.00 0.00 O ATOM 488 CB ASN B 32 8.987 -9.897 -1.973 1.00 0.00 C ATOM 489 CG ASN B 32 10.243 -10.690 -2.288 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.201 -10.701 -1.515 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.242 -11.364 -3.428 1.00 0.00 N ATOM 0 H ASN B 32 7.333 -7.954 -1.550 1.00 0.00 H new ATOM 0 HA ASN B 32 9.770 -8.952 -0.221 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.285 -10.537 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.506 -9.605 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.056 -11.919 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.427 -11.328 -4.041 1.00 0.00 H new ATOM 498 N GLY B 33 10.506 -6.577 -1.219 1.00 0.00 N ATOM 499 CA GLY B 33 11.320 -5.543 -1.829 1.00 0.00 C ATOM 500 C GLY B 33 10.602 -4.831 -2.957 1.00 0.00 C ATOM 501 O GLY B 33 9.922 -3.831 -2.738 1.00 0.00 O ATOM 0 H GLY B 33 10.239 -6.390 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY B 33 11.608 -4.816 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.240 -5.987 -2.210 1.00 0.00 H new ATOM 505 N ASN B 34 10.732 -5.369 -4.161 1.00 0.00 N ATOM 506 CA ASN B 34 10.145 -4.764 -5.348 1.00 0.00 C ATOM 507 C ASN B 34 8.773 -5.359 -5.643 1.00 0.00 C ATOM 508 O ASN B 34 8.254 -5.226 -6.750 1.00 0.00 O ATOM 509 CB ASN B 34 11.060 -4.966 -6.562 1.00 0.00 C ATOM 510 CG ASN B 34 12.379 -4.221 -6.455 1.00 0.00 C ATOM 511 OD1 ASN B 34 12.924 -4.034 -5.367 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.907 -3.792 -7.590 1.00 0.00 N ATOM 0 H ASN B 34 11.244 -6.232 -4.342 1.00 0.00 H new ATOM 0 HA ASN B 34 10.032 -3.697 -5.155 1.00 0.00 H new ATOM 0 HB2 ASN B 34 11.261 -6.030 -6.682 1.00 0.00 H new ATOM 0 HB3 ASN B 34 10.537 -4.637 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN B 34 13.794 -3.288 -7.582 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.427 -3.965 -8.473 1.00 0.00 H new ATOM 519 N GLN B 35 8.188 -6.032 -4.662 1.00 0.00 N ATOM 520 CA GLN B 35 6.882 -6.643 -4.850 1.00 0.00 C ATOM 521 C GLN B 35 5.949 -6.319 -3.706 1.00 0.00 C ATOM 522 O GLN B 35 6.377 -6.128 -2.566 1.00 0.00 O ATOM 523 CB GLN B 35 6.999 -8.156 -4.979 1.00 0.00 C ATOM 524 CG GLN B 35 8.000 -8.583 -6.030 1.00 0.00 C ATOM 525 CD GLN B 35 8.076 -10.089 -6.206 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.130 -10.637 -6.527 1.00 0.00 O ATOM 527 NE2 GLN B 35 6.963 -10.767 -6.011 1.00 0.00 N ATOM 0 H GLN B 35 8.594 -6.168 -3.736 1.00 0.00 H new ATOM 0 HA GLN B 35 6.471 -6.230 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.290 -8.576 -4.016 1.00 0.00 H new ATOM 0 HB3 GLN B 35 6.022 -8.571 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.734 -8.125 -6.983 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.986 -8.205 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN B 35 6.108 -10.278 -5.746 1.00 0.00 H new ATOM 0 HE22 GLN B 35 6.957 -11.781 -6.126 1.00 0.00 H new ATOM 536 N LEU B 36 4.673 -6.292 -4.022 1.00 0.00 N ATOM 537 CA LEU B 36 3.635 -6.069 -3.029 1.00 0.00 C ATOM 538 C LEU B 36 2.645 -7.218 -3.094 1.00 0.00 C ATOM 539 O LEU B 36 1.926 -7.386 -4.080 1.00 0.00 O ATOM 540 CB LEU B 36 2.918 -4.736 -3.263 1.00 0.00 C ATOM 541 CG LEU B 36 2.343 -4.055 -2.007 1.00 0.00 C ATOM 542 CD1 LEU B 36 1.748 -2.704 -2.369 1.00 0.00 C ATOM 543 CD2 LEU B 36 1.291 -4.925 -1.325 1.00 0.00 C ATOM 0 H LEU B 36 4.322 -6.423 -4.971 1.00 0.00 H new ATOM 0 HA LEU B 36 4.092 -6.024 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.617 -4.048 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.104 -4.902 -3.968 1.00 0.00 H new ATOM 0 HG LEU B 36 3.163 -3.912 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.345 -2.232 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.523 -2.068 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.949 -2.842 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.909 -4.410 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.471 -5.115 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.740 -5.872 -1.026 1.00 0.00 H new ATOM 555 N LYS B 37 2.621 -8.003 -2.046 1.00 0.00 N ATOM 556 CA LYS B 37 1.791 -9.186 -1.988 1.00 0.00 C ATOM 557 C LYS B 37 0.704 -8.972 -0.949 1.00 0.00 C ATOM 558 O LYS B 37 0.918 -8.258 0.030 1.00 0.00 O ATOM 559 CB LYS B 37 2.646 -10.393 -1.610 1.00 0.00 C ATOM 560 CG LYS B 37 4.013 -10.409 -2.288 1.00 0.00 C ATOM 561 CD LYS B 37 4.967 -11.428 -1.679 1.00 0.00 C ATOM 562 CE LYS B 37 4.562 -12.874 -1.959 1.00 0.00 C ATOM 563 NZ LYS B 37 3.331 -13.287 -1.227 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.177 -7.842 -1.206 1.00 0.00 H new ATOM 0 HA LYS B 37 1.335 -9.370 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.786 -10.405 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.109 -11.305 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.884 -10.628 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.458 -9.416 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.970 -11.256 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.014 -11.273 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.400 -12.999 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.382 -13.536 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 3.482 -14.219 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 3.117 -12.589 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 2.533 -13.341 -1.892 1.00 0.00 H new ATOM 577 N ALA B 38 -0.452 -9.576 -1.156 1.00 0.00 N ATOM 578 CA ALA B 38 -1.565 -9.409 -0.236 1.00 0.00 C ATOM 579 C ALA B 38 -2.671 -10.413 -0.503 1.00 0.00 C ATOM 580 O ALA B 38 -2.958 -10.747 -1.652 1.00 0.00 O ATOM 581 CB ALA B 38 -2.124 -7.998 -0.318 1.00 0.00 C ATOM 0 H ALA B 38 -0.646 -10.185 -1.951 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.180 -9.586 0.768 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.956 -7.895 0.379 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.344 -7.282 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.474 -7.804 -1.332 1.00 0.00 H new ATOM 587 N THR B 39 -3.274 -10.897 0.564 1.00 0.00 N ATOM 588 CA THR B 39 -4.437 -11.753 0.464 1.00 0.00 C ATOM 589 C THR B 39 -5.611 -11.093 1.171 1.00 0.00 C ATOM 590 O THR B 39 -5.431 -10.453 2.207 1.00 0.00 O ATOM 591 CB THR B 39 -4.160 -13.137 1.068 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.329 -13.007 2.232 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.485 -14.048 0.054 1.00 0.00 C ATOM 0 H THR B 39 -2.973 -10.709 1.520 1.00 0.00 H new ATOM 0 HA THR B 39 -4.678 -11.894 -0.590 1.00 0.00 H new ATOM 0 HB THR B 39 -5.114 -13.582 1.351 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.158 -13.894 2.613 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.300 -15.022 0.507 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.133 -14.169 -0.814 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.538 -13.607 -0.258 1.00 0.00 H new ATOM 601 N SER B 40 -6.803 -11.229 0.617 1.00 0.00 N ATOM 602 CA SER B 40 -7.948 -10.499 1.123 1.00 0.00 C ATOM 603 C SER B 40 -9.221 -11.339 1.118 1.00 0.00 C ATOM 604 O SER B 40 -9.342 -12.311 0.371 1.00 0.00 O ATOM 605 CB SER B 40 -8.141 -9.223 0.298 1.00 0.00 C ATOM 606 OG SER B 40 -7.923 -9.466 -1.084 1.00 0.00 O ATOM 0 H SER B 40 -7.001 -11.835 -0.179 1.00 0.00 H new ATOM 0 HA SER B 40 -7.749 -10.241 2.163 1.00 0.00 H new ATOM 0 HB2 SER B 40 -9.150 -8.840 0.448 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.453 -8.453 0.647 1.00 0.00 H new ATOM 0 HG SER B 40 -8.054 -8.635 -1.587 1.00 0.00 H new ATOM 612 N SER B 41 -10.160 -10.966 1.978 1.00 0.00 N ATOM 613 CA SER B 41 -11.461 -11.611 2.037 1.00 0.00 C ATOM 614 C SER B 41 -12.546 -10.575 2.286 1.00 0.00 C ATOM 615 O SER B 41 -12.279 -9.494 2.815 1.00 0.00 O ATOM 616 CB SER B 41 -11.476 -12.686 3.117 1.00 0.00 C ATOM 617 OG SER B 41 -10.382 -13.579 2.962 1.00 0.00 O ATOM 0 H SER B 41 -10.040 -10.210 2.652 1.00 0.00 H new ATOM 0 HA SER B 41 -11.659 -12.094 1.080 1.00 0.00 H new ATOM 0 HB2 SER B 41 -11.432 -12.219 4.101 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.413 -13.241 3.069 1.00 0.00 H new ATOM 0 HG SER B 41 -10.498 -14.345 3.562 1.00 0.00 H new ATOM 623 N ASN B 42 -13.771 -10.924 1.937 1.00 0.00 N ATOM 624 CA ASN B 42 -14.858 -9.963 1.874 1.00 0.00 C ATOM 625 C ASN B 42 -15.651 -9.964 3.164 1.00 0.00 C ATOM 626 O ASN B 42 -16.882 -9.981 3.163 1.00 0.00 O ATOM 627 CB ASN B 42 -15.769 -10.249 0.678 1.00 0.00 C ATOM 628 CG ASN B 42 -15.057 -10.056 -0.646 1.00 0.00 C ATOM 629 OD1 ASN B 42 -15.010 -8.949 -1.181 1.00 0.00 O ATOM 630 ND2 ASN B 42 -14.505 -11.131 -1.188 1.00 0.00 N ATOM 0 H ASN B 42 -14.040 -11.876 1.690 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.425 -8.971 1.741 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -16.140 -11.272 0.743 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -16.638 -9.592 0.720 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -14.018 -11.059 -2.082 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -14.566 -12.031 -0.712 1.00 0.00 H new ATOM 637 N ALA B 43 -14.920 -9.935 4.262 1.00 0.00 N ATOM 638 CA ALA B 43 -15.509 -9.896 5.604 1.00 0.00 C ATOM 639 C ALA B 43 -16.109 -8.523 5.944 1.00 0.00 C ATOM 640 O ALA B 43 -16.216 -8.162 7.112 1.00 0.00 O ATOM 641 CB ALA B 43 -14.468 -10.285 6.640 1.00 0.00 C ATOM 0 H ALA B 43 -13.900 -9.938 4.258 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.328 -10.615 5.618 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -14.914 -10.253 7.634 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -14.110 -11.294 6.435 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.632 -9.587 6.595 1.00 0.00 H new ATOM 647 N GLY B 44 -16.468 -7.757 4.924 1.00 0.00 N ATOM 648 CA GLY B 44 -17.037 -6.437 5.137 1.00 0.00 C ATOM 649 C GLY B 44 -16.388 -5.412 4.238 1.00 0.00 C ATOM 650 O GLY B 44 -17.059 -4.547 3.680 1.00 0.00 O ATOM 0 H GLY B 44 -16.375 -8.027 3.945 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.110 -6.465 4.946 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.906 -6.145 6.179 1.00 0.00 H new ATOM 654 N TYR B 45 -15.070 -5.547 4.118 1.00 0.00 N ATOM 655 CA TYR B 45 -14.226 -4.767 3.208 1.00 0.00 C ATOM 656 C TYR B 45 -14.423 -3.252 3.315 1.00 0.00 C ATOM 657 O TYR B 45 -14.965 -2.751 4.291 1.00 0.00 O ATOM 658 CB TYR B 45 -14.365 -5.277 1.762 1.00 0.00 C ATOM 659 CG TYR B 45 -15.712 -5.041 1.095 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.048 -3.797 0.579 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.640 -6.068 0.977 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.266 -3.577 -0.031 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.863 -5.858 0.367 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.170 -4.610 -0.134 1.00 0.00 C ATOM 665 OH TYR B 45 -19.389 -4.394 -0.740 1.00 0.00 O ATOM 0 H TYR B 45 -14.540 -6.223 4.668 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.197 -4.930 3.530 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.594 -4.802 1.155 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.162 -6.348 1.755 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.341 -2.984 0.657 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.402 -7.046 1.368 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.508 -2.601 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.574 -6.667 0.283 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.910 -5.224 -0.732 1.00 0.00 H new ATOM 675 N GLY B 46 -13.916 -2.537 2.319 1.00 0.00 N ATOM 676 CA GLY B 46 -13.932 -1.090 2.329 1.00 0.00 C ATOM 677 C GLY B 46 -15.294 -0.487 2.016 1.00 0.00 C ATOM 678 O GLY B 46 -15.763 -0.569 0.880 1.00 0.00 O ATOM 0 H GLY B 46 -13.486 -2.946 1.489 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.607 -0.739 3.308 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.207 -0.723 1.602 1.00 0.00 H new ATOM 682 N ILE B 47 -15.931 0.123 3.014 1.00 0.00 N ATOM 683 CA ILE B 47 -17.217 0.783 2.798 1.00 0.00 C ATOM 684 C ILE B 47 -17.143 2.260 3.147 1.00 0.00 C ATOM 685 O ILE B 47 -17.216 3.126 2.276 1.00 0.00 O ATOM 686 CB ILE B 47 -18.357 0.181 3.648 1.00 0.00 C ATOM 687 CG1 ILE B 47 -18.071 -1.264 4.030 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.677 0.276 2.900 1.00 0.00 C ATOM 689 CD1 ILE B 47 -17.388 -1.413 5.368 1.00 0.00 C ATOM 0 H ILE B 47 -15.582 0.174 3.971 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.434 0.634 1.740 1.00 0.00 H new ATOM 0 HB ILE B 47 -18.424 0.760 4.569 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -19.009 -1.819 4.047 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.446 -1.717 3.260 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.473 -0.152 3.510 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.902 1.322 2.691 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.604 -0.274 1.962 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.216 -2.470 5.573 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.433 -0.887 5.350 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -18.021 -0.990 6.148 1.00 0.00 H new ATOM 701 N SER B 48 -17.003 2.535 4.434 1.00 0.00 N ATOM 702 CA SER B 48 -17.125 3.898 4.941 1.00 0.00 C ATOM 703 C SER B 48 -15.853 4.390 5.629 1.00 0.00 C ATOM 704 O SER B 48 -15.108 5.197 5.071 1.00 0.00 O ATOM 705 CB SER B 48 -18.309 3.981 5.900 1.00 0.00 C ATOM 706 OG SER B 48 -19.515 3.665 5.227 1.00 0.00 O ATOM 0 H SER B 48 -16.805 1.835 5.149 1.00 0.00 H new ATOM 0 HA SER B 48 -17.289 4.551 4.084 1.00 0.00 H new ATOM 0 HB2 SER B 48 -18.159 3.294 6.733 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.373 4.984 6.322 1.00 0.00 H new ATOM 0 HG SER B 48 -20.265 3.721 5.856 1.00 0.00 H new ATOM 712 N TYR B 49 -15.619 3.905 6.838 1.00 0.00 N ATOM 713 CA TYR B 49 -14.475 4.333 7.650 1.00 0.00 C ATOM 714 C TYR B 49 -13.185 3.848 7.019 1.00 0.00 C ATOM 715 O TYR B 49 -12.106 4.381 7.271 1.00 0.00 O ATOM 716 CB TYR B 49 -14.598 3.775 9.071 1.00 0.00 C ATOM 717 CG TYR B 49 -16.005 3.358 9.436 1.00 0.00 C ATOM 718 CD1 TYR B 49 -16.448 2.070 9.169 1.00 0.00 C ATOM 719 CD2 TYR B 49 -16.888 4.246 10.035 1.00 0.00 C ATOM 720 CE1 TYR B 49 -17.730 1.675 9.488 1.00 0.00 C ATOM 721 CE2 TYR B 49 -18.175 3.858 10.358 1.00 0.00 C ATOM 722 CZ TYR B 49 -18.590 2.572 10.083 1.00 0.00 C ATOM 723 OH TYR B 49 -19.869 2.181 10.404 1.00 0.00 O ATOM 0 H TYR B 49 -16.210 3.206 7.289 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.465 5.422 7.697 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.935 2.916 9.174 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -14.256 4.529 9.780 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -15.776 1.364 8.703 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -16.565 5.254 10.252 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -18.058 0.669 9.273 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -18.852 4.559 10.824 1.00 0.00 H new ATOM 0 HH TYR B 49 -20.346 2.930 10.818 1.00 0.00 H new ATOM 733 N GLU B 50 -13.321 2.817 6.212 1.00 0.00 N ATOM 734 CA GLU B 50 -12.227 2.295 5.427 1.00 0.00 C ATOM 735 C GLU B 50 -11.937 3.247 4.296 1.00 0.00 C ATOM 736 O GLU B 50 -10.858 3.820 4.198 1.00 0.00 O ATOM 737 CB GLU B 50 -12.603 0.951 4.832 1.00 0.00 C ATOM 738 CG GLU B 50 -13.082 -0.068 5.839 1.00 0.00 C ATOM 739 CD GLU B 50 -14.425 0.268 6.458 1.00 0.00 C ATOM 740 OE1 GLU B 50 -15.267 0.886 5.766 1.00 0.00 O ATOM 741 OE2 GLU B 50 -14.637 -0.064 7.640 1.00 0.00 O1- ATOM 0 H GLU B 50 -14.200 2.316 6.083 1.00 0.00 H new ATOM 0 HA GLU B 50 -11.355 2.180 6.070 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -13.385 1.103 4.088 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -11.738 0.546 4.307 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -13.150 -1.041 5.353 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -12.339 -0.159 6.632 1.00 0.00 H new ATOM 748 N ASP B 51 -12.951 3.383 3.454 1.00 0.00 N ATOM 749 CA ASP B 51 -12.923 4.240 2.275 1.00 0.00 C ATOM 750 C ASP B 51 -12.330 5.605 2.564 1.00 0.00 C ATOM 751 O ASP B 51 -12.948 6.448 3.219 1.00 0.00 O ATOM 752 CB ASP B 51 -14.340 4.407 1.746 1.00 0.00 C ATOM 753 CG ASP B 51 -14.457 5.537 0.741 1.00 0.00 C ATOM 754 OD1 ASP B 51 -13.749 5.502 -0.288 1.00 0.00 O ATOM 755 OD2 ASP B 51 -15.262 6.464 0.975 1.00 0.00 O1- ATOM 0 H ASP B 51 -13.836 2.890 3.573 1.00 0.00 H new ATOM 0 HA ASP B 51 -12.286 3.759 1.533 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -14.662 3.476 1.280 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.016 4.596 2.580 1.00 0.00 H new ATOM 760 N LYS B 52 -11.134 5.805 2.050 1.00 0.00 N ATOM 761 CA LYS B 52 -10.429 7.064 2.158 1.00 0.00 C ATOM 762 C LYS B 52 -9.533 7.236 0.944 1.00 0.00 C ATOM 763 O LYS B 52 -9.245 6.267 0.251 1.00 0.00 O ATOM 764 CB LYS B 52 -9.592 7.078 3.429 1.00 0.00 C ATOM 765 CG LYS B 52 -10.421 7.019 4.704 1.00 0.00 C ATOM 766 CD LYS B 52 -9.553 6.969 5.942 1.00 0.00 C ATOM 767 CE LYS B 52 -10.395 7.040 7.204 1.00 0.00 C ATOM 768 NZ LYS B 52 -9.570 6.848 8.423 1.00 0.00 N1+ ATOM 0 H LYS B 52 -10.618 5.088 1.539 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.145 7.884 2.201 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -8.906 6.231 3.412 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -8.983 7.982 3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.073 7.891 4.753 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.065 6.140 4.677 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -8.968 6.049 5.943 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -8.845 7.797 5.927 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -10.898 8.006 7.253 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.173 6.277 7.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -10.177 6.903 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -9.110 5.916 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -8.844 7.591 8.471 1.00 0.00 H new ATOM 782 N ASN B 53 -9.112 8.455 0.670 1.00 0.00 N ATOM 783 CA ASN B 53 -8.276 8.711 -0.488 1.00 0.00 C ATOM 784 C ASN B 53 -6.860 9.055 -0.078 1.00 0.00 C ATOM 785 O ASN B 53 -6.616 10.030 0.633 1.00 0.00 O ATOM 786 CB ASN B 53 -8.864 9.826 -1.355 1.00 0.00 C ATOM 787 CG ASN B 53 -9.190 11.091 -0.580 1.00 0.00 C ATOM 788 OD1 ASN B 53 -10.271 11.223 -0.008 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.276 12.047 -0.581 1.00 0.00 N ATOM 0 H ASN B 53 -9.333 9.279 1.229 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.247 7.795 -1.078 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.158 10.068 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.771 9.461 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.457 12.927 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.390 11.905 -1.065 1.00 0.00 H new ATOM 796 N TRP B 54 -5.927 8.242 -0.528 1.00 0.00 N ATOM 797 CA TRP B 54 -4.527 8.487 -0.282 1.00 0.00 C ATOM 798 C TRP B 54 -3.671 7.835 -1.358 1.00 0.00 C ATOM 799 O TRP B 54 -4.175 7.089 -2.203 1.00 0.00 O ATOM 800 CB TRP B 54 -4.134 7.994 1.109 1.00 0.00 C ATOM 801 CG TRP B 54 -4.119 6.510 1.272 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.178 5.657 1.172 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.982 5.708 1.599 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.769 4.369 1.411 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.421 4.374 1.676 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.628 5.990 1.828 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.557 3.325 1.981 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.777 4.945 2.128 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.244 3.629 2.201 1.00 0.00 C ATOM 0 H TRP B 54 -6.119 7.400 -1.070 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.351 9.562 -0.321 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.143 8.381 1.349 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.826 8.417 1.837 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.190 5.952 0.939 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.368 3.543 1.395 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.258 7.003 1.771 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -2.913 2.307 2.041 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.268 5.148 2.310 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.551 2.835 2.437 1.00 0.00 H new ATOM 820 N GLY B 55 -2.387 8.137 -1.331 1.00 0.00 N ATOM 821 CA GLY B 55 -1.481 7.616 -2.322 1.00 0.00 C ATOM 822 C GLY B 55 -0.255 7.007 -1.690 1.00 0.00 C ATOM 823 O GLY B 55 0.242 7.508 -0.682 1.00 0.00 O ATOM 0 H GLY B 55 -1.953 8.740 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.992 6.864 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.182 8.416 -2.999 1.00 0.00 H new ATOM 827 N ILE B 56 0.213 5.907 -2.250 1.00 0.00 N ATOM 828 CA ILE B 56 1.472 5.330 -1.834 1.00 0.00 C ATOM 829 C ILE B 56 2.532 5.628 -2.883 1.00 0.00 C ATOM 830 O ILE B 56 2.226 5.722 -4.077 1.00 0.00 O ATOM 831 CB ILE B 56 1.348 3.817 -1.635 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.080 3.511 -0.844 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.571 3.273 -0.905 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.304 2.057 -0.850 1.00 0.00 C ATOM 0 H ILE B 56 -0.262 5.397 -2.995 1.00 0.00 H new ATOM 0 HA ILE B 56 1.759 5.773 -0.880 1.00 0.00 H new ATOM 0 HB ILE B 56 1.290 3.333 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.219 3.836 0.187 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.743 4.096 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.466 2.196 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.467 3.481 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.656 3.753 0.070 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.215 1.919 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.476 1.730 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.500 1.466 -0.412 1.00 0.00 H new ATOM 846 N PHE B 57 3.766 5.789 -2.438 1.00 0.00 N ATOM 847 CA PHE B 57 4.838 6.246 -3.310 1.00 0.00 C ATOM 848 C PHE B 57 6.029 5.302 -3.256 1.00 0.00 C ATOM 849 O PHE B 57 6.320 4.743 -2.209 1.00 0.00 O ATOM 850 CB PHE B 57 5.212 7.674 -2.897 1.00 0.00 C ATOM 851 CG PHE B 57 3.996 8.556 -2.903 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.543 9.116 -4.083 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.268 8.764 -1.745 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.383 9.865 -4.109 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.116 9.522 -1.763 1.00 0.00 C ATOM 856 CZ PHE B 57 1.668 10.069 -2.946 1.00 0.00 C ATOM 0 H PHE B 57 4.053 5.610 -1.476 1.00 0.00 H new ATOM 0 HA PHE B 57 4.504 6.250 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.659 7.667 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.962 8.073 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.102 8.966 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.606 8.328 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.035 10.291 -5.039 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.564 9.687 -0.849 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.761 10.655 -2.963 1.00 0.00 H new ATOM 866 N VAL B 58 6.701 5.100 -4.394 1.00 0.00 N ATOM 867 CA VAL B 58 7.841 4.212 -4.447 1.00 0.00 C ATOM 868 C VAL B 58 9.005 4.922 -5.118 1.00 0.00 C ATOM 869 O VAL B 58 8.829 5.591 -6.133 1.00 0.00 O ATOM 870 CB VAL B 58 7.503 2.899 -5.191 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.266 3.137 -6.674 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.598 1.872 -4.981 1.00 0.00 C ATOM 0 H VAL B 58 6.467 5.543 -5.282 1.00 0.00 H new ATOM 0 HA VAL B 58 8.118 3.945 -3.427 1.00 0.00 H new ATOM 0 HB VAL B 58 6.575 2.511 -4.771 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.031 2.191 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.433 3.828 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.164 3.563 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.343 0.955 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.541 2.262 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.698 1.659 -3.917 1.00 0.00 H new ATOM 882 N ASN B 59 10.191 4.799 -4.525 1.00 0.00 N ATOM 883 CA ASN B 59 11.389 5.511 -4.979 1.00 0.00 C ATOM 884 C ASN B 59 11.182 7.014 -4.841 1.00 0.00 C ATOM 885 O ASN B 59 11.980 7.811 -5.328 1.00 0.00 O ATOM 886 CB ASN B 59 11.741 5.193 -6.438 1.00 0.00 C ATOM 887 CG ASN B 59 11.493 3.752 -6.825 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.311 2.871 -6.577 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.357 3.519 -7.464 1.00 0.00 N ATOM 0 H ASN B 59 10.351 4.202 -3.714 1.00 0.00 H new ATOM 0 HA ASN B 59 12.215 5.176 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.158 5.841 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.791 5.430 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.130 2.574 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.708 4.285 -7.647 1.00 0.00 H new ATOM 896 N GLY B 60 10.106 7.390 -4.167 1.00 0.00 N ATOM 897 CA GLY B 60 9.748 8.779 -4.065 1.00 0.00 C ATOM 898 C GLY B 60 8.733 9.186 -5.118 1.00 0.00 C ATOM 899 O GLY B 60 8.285 10.330 -5.157 1.00 0.00 O ATOM 0 H GLY B 60 9.474 6.749 -3.688 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.340 8.976 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.643 9.392 -4.169 1.00 0.00 H new ATOM 903 N GLU B 61 8.378 8.229 -5.961 1.00 0.00 N ATOM 904 CA GLU B 61 7.443 8.428 -7.053 1.00 0.00 C ATOM 905 C GLU B 61 6.104 7.844 -6.668 1.00 0.00 C ATOM 906 O GLU B 61 5.990 7.261 -5.617 1.00 0.00 O ATOM 907 CB GLU B 61 7.956 7.716 -8.300 1.00 0.00 C ATOM 908 CG GLU B 61 8.871 8.558 -9.172 1.00 0.00 C ATOM 909 CD GLU B 61 9.441 7.774 -10.336 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.734 7.609 -11.354 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.600 7.315 -10.238 1.00 0.00 O ATOM 0 H GLU B 61 8.739 7.277 -5.903 1.00 0.00 H new ATOM 0 HA GLU B 61 7.341 9.494 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.491 6.816 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU B 61 7.102 7.393 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.317 9.417 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.688 8.949 -8.566 1.00 0.00 H new ATOM 918 N LYS B 62 5.099 7.979 -7.505 1.00 0.00 N ATOM 919 CA LYS B 62 3.823 7.327 -7.246 1.00 0.00 C ATOM 920 C LYS B 62 3.996 5.808 -7.338 1.00 0.00 C ATOM 921 O LYS B 62 5.019 5.325 -7.826 1.00 0.00 O ATOM 922 CB LYS B 62 2.770 7.819 -8.250 1.00 0.00 C ATOM 923 CG LYS B 62 1.359 7.345 -7.954 1.00 0.00 C ATOM 924 CD LYS B 62 0.759 8.102 -6.786 1.00 0.00 C ATOM 925 CE LYS B 62 0.419 9.531 -7.173 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.767 9.600 -8.071 1.00 0.00 N1+ ATOM 0 H LYS B 62 5.134 8.528 -8.364 1.00 0.00 H new ATOM 0 HA LYS B 62 3.481 7.579 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.780 8.909 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.052 7.484 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.735 7.480 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.370 6.278 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.141 7.592 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.461 8.106 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.226 10.114 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.276 9.986 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.200 10.543 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.470 9.426 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.461 8.879 -7.786 1.00 0.00 H new ATOM 940 N VAL B 63 3.060 5.067 -6.768 1.00 0.00 N ATOM 941 CA VAL B 63 2.955 3.638 -7.035 1.00 0.00 C ATOM 942 C VAL B 63 1.520 3.164 -6.822 1.00 0.00 C ATOM 943 O VAL B 63 1.139 2.073 -7.247 1.00 0.00 O ATOM 944 CB VAL B 63 3.917 2.807 -6.150 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.475 2.795 -4.696 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.055 1.387 -6.682 1.00 0.00 C ATOM 0 H VAL B 63 2.362 5.429 -6.118 1.00 0.00 H new ATOM 0 HA VAL B 63 3.242 3.483 -8.075 1.00 0.00 H new ATOM 0 HB VAL B 63 4.894 3.288 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.175 2.202 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.453 3.816 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.479 2.359 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.736 0.824 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.078 0.904 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.450 1.416 -7.697 1.00 0.00 H new ATOM 956 N TYR B 64 0.711 4.007 -6.193 1.00 0.00 N ATOM 957 CA TYR B 64 -0.612 3.591 -5.768 1.00 0.00 C ATOM 958 C TYR B 64 -1.495 4.813 -5.515 1.00 0.00 C ATOM 959 O TYR B 64 -1.035 5.821 -4.979 1.00 0.00 O ATOM 960 CB TYR B 64 -0.464 2.779 -4.485 1.00 0.00 C ATOM 961 CG TYR B 64 -1.259 1.493 -4.407 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.495 1.361 -5.016 1.00 0.00 C ATOM 963 CD2 TYR B 64 -0.777 0.418 -3.667 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.229 0.198 -4.885 1.00 0.00 C ATOM 965 CE2 TYR B 64 -1.501 -0.750 -3.544 1.00 0.00 C ATOM 966 CZ TYR B 64 -2.728 -0.852 -4.152 1.00 0.00 C ATOM 967 OH TYR B 64 -3.462 -2.007 -4.028 1.00 0.00 O ATOM 0 H TYR B 64 0.948 4.973 -5.969 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.082 2.988 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.591 2.537 -4.353 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.753 3.411 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.891 2.178 -5.601 1.00 0.00 H new ATOM 0 HD2 TYR B 64 0.183 0.499 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.196 0.114 -5.358 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.106 -1.578 -2.974 1.00 0.00 H new ATOM 0 HH TYR B 64 -2.904 -2.709 -3.633 1.00 0.00 H new ATOM 977 N THR B 65 -2.750 4.715 -5.916 1.00 0.00 N ATOM 978 CA THR B 65 -3.734 5.787 -5.735 1.00 0.00 C ATOM 979 C THR B 65 -5.142 5.191 -5.768 1.00 0.00 C ATOM 980 O THR B 65 -5.521 4.565 -6.760 1.00 0.00 O ATOM 981 CB THR B 65 -3.602 6.868 -6.836 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.295 7.455 -6.789 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.652 7.956 -6.670 1.00 0.00 C ATOM 0 H THR B 65 -3.125 3.888 -6.380 1.00 0.00 H new ATOM 0 HA THR B 65 -3.549 6.263 -4.772 1.00 0.00 H new ATOM 0 HB THR B 65 -3.756 6.385 -7.801 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.263 8.125 -6.074 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.533 8.700 -7.458 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.647 7.515 -6.735 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.530 8.434 -5.698 1.00 0.00 H new ATOM 991 N PHE B 66 -5.911 5.375 -4.691 1.00 0.00 N ATOM 992 CA PHE B 66 -7.157 4.655 -4.521 1.00 0.00 C ATOM 993 C PHE B 66 -7.912 5.117 -3.292 1.00 0.00 C ATOM 994 O PHE B 66 -7.368 5.768 -2.400 1.00 0.00 O ATOM 995 CB PHE B 66 -6.878 3.159 -4.392 1.00 0.00 C ATOM 996 CG PHE B 66 -5.919 2.790 -3.298 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.561 3.007 -3.427 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.387 2.175 -2.160 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.686 2.622 -2.435 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.520 1.789 -1.157 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.164 2.014 -1.296 1.00 0.00 C ATOM 0 H PHE B 66 -5.686 6.017 -3.931 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.771 4.855 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.821 2.641 -4.219 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.483 2.794 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.180 3.485 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.446 1.992 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.627 2.797 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.901 1.312 -0.266 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.482 1.714 -0.514 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.179 4.791 -3.313 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.055 4.865 -2.156 1.00 0.00 C ATOM 1013 C ASN B 67 -10.376 3.448 -1.712 1.00 0.00 C ATOM 1014 O ASN B 67 -10.609 2.583 -2.554 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.352 5.597 -2.518 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.320 7.066 -2.159 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -10.797 7.891 -2.910 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.924 7.409 -1.031 1.00 0.00 N ATOM 0 H ASN B 67 -9.649 4.457 -4.154 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.562 5.414 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.535 5.494 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.187 5.121 -2.004 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.969 8.390 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -12.344 6.692 -0.439 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.377 3.193 -0.403 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.648 1.843 0.102 1.00 0.00 C ATOM 1027 C GLU B 68 -12.050 1.345 -0.270 1.00 0.00 C ATOM 1028 O GLU B 68 -12.338 0.160 -0.124 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.456 1.757 1.616 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.003 1.673 2.062 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.232 2.944 1.790 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.808 4.036 1.974 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.053 2.858 1.395 1.00 0.00 O ATOM 0 H GLU B 68 -10.196 3.891 0.319 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.921 1.193 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -10.915 2.631 2.078 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -10.989 0.882 1.988 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -8.967 1.453 3.129 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -8.518 0.842 1.549 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.916 2.241 -0.744 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.223 1.839 -1.270 1.00 0.00 C ATOM 1042 C LYS B 69 -14.043 1.077 -2.576 1.00 0.00 C ATOM 1043 O LYS B 69 -14.837 0.203 -2.923 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.110 3.059 -1.506 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.537 2.716 -1.901 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.400 3.964 -1.970 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.829 3.638 -2.362 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.914 3.062 -3.728 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.739 3.245 -0.775 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.706 1.195 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.130 3.663 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -14.665 3.674 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.539 2.215 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.960 2.017 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.394 4.465 -1.002 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -16.975 4.661 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.250 2.933 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.434 4.543 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.909 3.027 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -18.373 3.655 -4.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.520 2.100 -3.724 1.00 0.00 H new ATOM 1062 N SER B 70 -12.979 1.422 -3.289 1.00 0.00 N ATOM 1063 CA SER B 70 -12.585 0.708 -4.492 1.00 0.00 C ATOM 1064 C SER B 70 -12.050 -0.672 -4.095 1.00 0.00 C ATOM 1065 O SER B 70 -11.962 -1.588 -4.914 1.00 0.00 O ATOM 1066 CB SER B 70 -11.516 1.520 -5.240 1.00 0.00 C ATOM 1067 OG SER B 70 -11.032 0.834 -6.381 1.00 0.00 O ATOM 0 H SER B 70 -12.368 2.202 -3.049 1.00 0.00 H new ATOM 0 HA SER B 70 -13.440 0.576 -5.155 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.936 2.479 -5.544 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.686 1.734 -4.567 1.00 0.00 H new ATOM 0 HG SER B 70 -10.356 1.383 -6.830 1.00 0.00 H new ATOM 1073 N THR B 71 -11.736 -0.786 -2.800 1.00 0.00 N ATOM 1074 CA THR B 71 -11.245 -1.993 -2.161 1.00 0.00 C ATOM 1075 C THR B 71 -9.909 -2.453 -2.749 1.00 0.00 C ATOM 1076 O THR B 71 -9.805 -2.832 -3.919 1.00 0.00 O ATOM 1077 CB THR B 71 -12.293 -3.123 -2.174 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.388 -3.726 -3.472 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.661 -2.598 -1.765 1.00 0.00 C ATOM 0 H THR B 71 -11.823 -0.004 -2.150 1.00 0.00 H new ATOM 0 HA THR B 71 -11.063 -1.740 -1.117 1.00 0.00 H new ATOM 0 HB THR B 71 -11.966 -3.875 -1.456 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.881 -3.192 -4.119 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.384 -3.414 -1.782 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.605 -2.183 -0.759 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.975 -1.820 -2.461 1.00 0.00 H new ATOM 1087 N VAL B 72 -8.885 -2.431 -1.902 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.506 -2.614 -2.340 1.00 0.00 C ATOM 1089 C VAL B 72 -7.280 -3.963 -3.024 1.00 0.00 C ATOM 1090 O VAL B 72 -6.381 -4.086 -3.843 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.514 -2.454 -1.167 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.875 -1.245 -0.322 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.461 -3.710 -0.315 1.00 0.00 C ATOM 0 H VAL B 72 -8.987 -2.287 -0.897 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.319 -1.831 -3.075 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.521 -2.296 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.164 -1.150 0.499 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.840 -0.347 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.880 -1.370 0.081 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.754 -3.566 0.502 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.451 -3.915 0.093 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.140 -4.552 -0.928 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.111 -4.955 -2.707 1.00 0.00 N ATOM 1104 CA GLY B 73 -7.950 -6.282 -3.287 1.00 0.00 C ATOM 1105 C GLY B 73 -7.908 -6.258 -4.806 1.00 0.00 C ATOM 1106 O GLY B 73 -7.037 -6.875 -5.424 1.00 0.00 O ATOM 0 H GLY B 73 -8.893 -4.865 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.031 -6.730 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -8.772 -6.919 -2.961 1.00 0.00 H new ATOM 1110 N ASN B 74 -8.835 -5.519 -5.404 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.911 -5.411 -6.857 1.00 0.00 C ATOM 1112 C ASN B 74 -7.771 -4.556 -7.386 1.00 0.00 C ATOM 1113 O ASN B 74 -7.227 -4.809 -8.461 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.252 -4.804 -7.285 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.419 -5.720 -7.045 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.772 -6.543 -7.890 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.044 -5.564 -5.897 1.00 0.00 N ATOM 0 H ASN B 74 -9.546 -4.985 -4.905 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.829 -6.414 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.412 -3.872 -6.742 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.208 -4.552 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -12.858 -6.139 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -11.715 -4.869 -5.227 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.396 -3.556 -6.605 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.374 -2.608 -7.024 1.00 0.00 C ATOM 1126 C ILE B 75 -4.998 -3.250 -7.008 1.00 0.00 C ATOM 1127 O ILE B 75 -4.214 -3.092 -7.938 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.310 -1.376 -6.115 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -7.663 -1.058 -5.494 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.812 -0.188 -6.919 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -7.580 0.048 -4.490 1.00 0.00 C ATOM 0 H ILE B 75 -7.783 -3.379 -5.678 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.652 -2.302 -8.033 1.00 0.00 H new ATOM 0 HB ILE B 75 -5.621 -1.590 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.365 -0.780 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.059 -1.953 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.765 0.692 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.818 -0.405 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.495 0.003 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -8.570 0.238 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -6.900 -0.239 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.210 0.952 -4.974 1.00 0.00 H new ATOM 1143 N SER B 76 -4.713 -3.962 -5.924 1.00 0.00 N ATOM 1144 CA SER B 76 -3.424 -4.633 -5.737 1.00 0.00 C ATOM 1145 C SER B 76 -3.119 -5.542 -6.919 1.00 0.00 C ATOM 1146 O SER B 76 -1.963 -5.712 -7.304 1.00 0.00 O ATOM 1147 CB SER B 76 -3.424 -5.446 -4.438 1.00 0.00 C ATOM 1148 OG SER B 76 -3.697 -4.624 -3.315 1.00 0.00 O ATOM 0 H SER B 76 -5.364 -4.093 -5.150 1.00 0.00 H new ATOM 0 HA SER B 76 -2.649 -3.869 -5.672 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.171 -6.237 -4.502 1.00 0.00 H new ATOM 0 HB3 SER B 76 -2.456 -5.931 -4.310 1.00 0.00 H new ATOM 0 HG SER B 76 -4.640 -4.359 -3.325 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.174 -6.109 -7.485 1.00 0.00 N ATOM 1155 CA ASN B 77 -4.079 -6.914 -8.694 1.00 0.00 C ATOM 1156 C ASN B 77 -3.361 -6.136 -9.783 1.00 0.00 C ATOM 1157 O ASN B 77 -2.372 -6.592 -10.358 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.483 -7.250 -9.175 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.509 -8.335 -10.234 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.662 -9.228 -10.250 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.490 -8.274 -11.121 1.00 0.00 N ATOM 0 H ASN B 77 -5.122 -6.024 -7.118 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.523 -7.826 -8.475 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -6.085 -7.568 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.948 -6.349 -9.576 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.563 -8.983 -11.851 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.173 -7.518 -11.075 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.874 -4.946 -10.038 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.322 -4.062 -11.063 1.00 0.00 C ATOM 1170 C ASP B 78 -1.954 -3.516 -10.662 1.00 0.00 C ATOM 1171 O ASP B 78 -1.030 -3.490 -11.470 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.277 -2.900 -11.341 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.507 -3.329 -12.112 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.430 -3.427 -13.356 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.560 -3.557 -11.486 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.681 -4.561 -9.546 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.199 -4.656 -11.969 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.583 -2.452 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.751 -2.129 -11.903 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.833 -3.086 -9.411 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.593 -2.509 -8.893 1.00 0.00 C ATOM 1182 C ILE B 79 0.586 -3.475 -9.020 1.00 0.00 C ATOM 1183 O ILE B 79 1.726 -3.068 -9.232 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.779 -2.086 -7.442 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.900 -1.067 -7.403 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.504 -1.506 -6.856 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.642 0.183 -8.219 1.00 0.00 C ATOM 0 H ILE B 79 -2.589 -3.126 -8.727 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.360 -1.632 -9.497 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.030 -2.955 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.815 -1.538 -7.763 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.076 -0.779 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.332 -1.216 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.294 -2.256 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.804 -0.631 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.495 0.856 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.747 0.682 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.497 -0.089 -9.265 1.00 0.00 H new ATOM 1199 N ASN B 80 0.292 -4.762 -8.912 1.00 0.00 N ATOM 1200 CA ASN B 80 1.313 -5.807 -9.039 1.00 0.00 C ATOM 1201 C ASN B 80 1.912 -5.856 -10.444 1.00 0.00 C ATOM 1202 O ASN B 80 2.987 -6.418 -10.651 1.00 0.00 O ATOM 1203 CB ASN B 80 0.727 -7.176 -8.685 1.00 0.00 C ATOM 1204 CG ASN B 80 1.012 -7.573 -7.252 1.00 0.00 C ATOM 1205 OD1 ASN B 80 2.014 -8.226 -6.968 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.138 -7.188 -6.340 1.00 0.00 N ATOM 0 H ASN B 80 -0.648 -5.115 -8.736 1.00 0.00 H new ATOM 0 HA ASN B 80 2.112 -5.558 -8.340 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.351 -7.160 -8.847 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.139 -7.929 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.283 -7.432 -5.360 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -0.682 -6.647 -6.615 1.00 0.00 H new ATOM 1213 N LYS B 81 1.226 -5.249 -11.400 1.00 0.00 N ATOM 1214 CA LYS B 81 1.633 -5.272 -12.777 1.00 0.00 C ATOM 1215 C LYS B 81 2.523 -4.054 -13.081 1.00 0.00 C ATOM 1216 O LYS B 81 3.120 -3.939 -14.150 1.00 0.00 O ATOM 1217 CB LYS B 81 0.349 -5.291 -13.616 1.00 0.00 C ATOM 1218 CG LYS B 81 0.517 -4.805 -15.021 1.00 0.00 C ATOM 1219 CD LYS B 81 1.368 -5.745 -15.866 1.00 0.00 C ATOM 1220 CE LYS B 81 0.736 -7.125 -15.984 1.00 0.00 C ATOM 1221 NZ LYS B 81 1.546 -8.034 -16.835 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.367 -4.726 -11.230 1.00 0.00 H new ATOM 0 HA LYS B 81 2.232 -6.151 -13.014 1.00 0.00 H new ATOM 0 HB2 LYS B 81 -0.038 -6.310 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.403 -4.677 -13.120 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.464 -4.694 -15.483 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.977 -3.817 -15.008 1.00 0.00 H new ATOM 0 HD2 LYS B 81 1.501 -5.320 -16.861 1.00 0.00 H new ATOM 0 HD3 LYS B 81 2.360 -5.836 -15.423 1.00 0.00 H new ATOM 0 HE2 LYS B 81 0.626 -7.560 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -0.265 -7.031 -16.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 1.082 -8.963 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 1.630 -7.632 -17.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 2.494 -8.144 -16.421 1.00 0.00 H new ATOM 1235 N LEU B 82 2.656 -3.178 -12.092 1.00 0.00 N ATOM 1236 CA LEU B 82 3.401 -1.927 -12.245 1.00 0.00 C ATOM 1237 C LEU B 82 4.897 -2.178 -12.302 1.00 0.00 C ATOM 1238 O LEU B 82 5.669 -1.291 -12.673 1.00 0.00 O ATOM 1239 CB LEU B 82 3.113 -0.996 -11.064 1.00 0.00 C ATOM 1240 CG LEU B 82 1.944 -0.024 -11.227 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.334 1.121 -12.147 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.707 -0.729 -11.764 1.00 0.00 C ATOM 0 H LEU B 82 2.254 -3.311 -11.164 1.00 0.00 H new ATOM 0 HA LEU B 82 3.079 -1.468 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.925 -1.611 -10.184 1.00 0.00 H new ATOM 0 HB3 LEU B 82 4.013 -0.415 -10.861 1.00 0.00 H new ATOM 0 HG LEU B 82 1.703 0.376 -10.242 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.492 1.805 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.184 1.655 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.606 0.725 -13.125 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.105 -0.010 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.931 -1.167 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.408 -1.516 -11.072 1.00 0.00 H new ATOM 1254 N ASN B 83 5.283 -3.399 -11.949 1.00 0.00 N ATOM 1255 CA ASN B 83 6.675 -3.743 -11.718 1.00 0.00 C ATOM 1256 C ASN B 83 7.248 -2.806 -10.661 1.00 0.00 C ATOM 1257 O ASN B 83 8.032 -1.901 -10.954 1.00 0.00 O ATOM 1258 CB ASN B 83 7.479 -3.688 -13.017 1.00 0.00 C ATOM 1259 CG ASN B 83 8.916 -4.152 -12.849 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.820 -3.353 -12.604 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.136 -5.451 -12.980 1.00 0.00 N ATOM 0 H ASN B 83 4.637 -4.177 -11.816 1.00 0.00 H new ATOM 0 HA ASN B 83 6.740 -4.768 -11.354 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.989 -4.308 -13.767 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.475 -2.666 -13.396 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.081 -5.821 -12.878 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.361 -6.082 -13.183 1.00 0.00 H new ATOM 1268 N ILE B 84 6.799 -3.016 -9.434 1.00 0.00 N ATOM 1269 CA ILE B 84 7.152 -2.166 -8.311 1.00 0.00 C ATOM 1270 C ILE B 84 8.650 -2.238 -8.004 1.00 0.00 C ATOM 1271 O ILE B 84 9.336 -3.182 -8.393 1.00 0.00 O ATOM 1272 CB ILE B 84 6.333 -2.592 -7.076 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.856 -2.509 -7.415 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.639 -1.719 -5.863 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.974 -3.248 -6.441 1.00 0.00 C ATOM 0 H ILE B 84 6.176 -3.786 -9.189 1.00 0.00 H new ATOM 0 HA ILE B 84 6.920 -1.133 -8.570 1.00 0.00 H new ATOM 0 HB ILE B 84 6.606 -3.615 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.556 -1.462 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.697 -2.912 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.041 -2.052 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.697 -1.799 -5.615 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.397 -0.681 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.932 -3.146 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.248 -4.303 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.104 -2.830 -5.443 1.00 0.00 H new ATOM 1287 N LYS B 85 9.151 -1.209 -7.342 1.00 0.00 N ATOM 1288 CA LYS B 85 10.536 -1.166 -6.894 1.00 0.00 C ATOM 1289 C LYS B 85 10.594 -1.003 -5.381 1.00 0.00 C ATOM 1290 O LYS B 85 9.565 -1.008 -4.712 1.00 0.00 O ATOM 1291 CB LYS B 85 11.260 0.003 -7.556 1.00 0.00 C ATOM 1292 CG LYS B 85 11.123 0.020 -9.064 1.00 0.00 C ATOM 1293 CD LYS B 85 11.926 1.153 -9.698 1.00 0.00 C ATOM 1294 CE LYS B 85 13.415 1.056 -9.383 1.00 0.00 C ATOM 1295 NZ LYS B 85 14.029 -0.179 -9.936 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.610 -0.379 -7.099 1.00 0.00 H new ATOM 0 HA LYS B 85 11.022 -2.101 -7.173 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.870 0.937 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.317 -0.040 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.460 -0.934 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.072 0.127 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.784 1.135 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.543 2.110 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.928 1.928 -9.790 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.558 1.078 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 15.058 -0.153 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.630 -1.010 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.829 -0.240 -10.955 1.00 0.00 H new ATOM 1309 N GLY B 86 11.797 -0.857 -4.850 1.00 0.00 N ATOM 1310 CA GLY B 86 11.955 -0.593 -3.433 1.00 0.00 C ATOM 1311 C GLY B 86 13.113 0.344 -3.165 1.00 0.00 C ATOM 1312 O GLY B 86 14.269 -0.008 -3.405 1.00 0.00 O ATOM 0 H GLY B 86 12.670 -0.916 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.036 -0.158 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.116 -1.532 -2.903 1.00 0.00 H new ATOM 1316 N MET B 87 12.809 1.544 -2.680 1.00 0.00 N ATOM 1317 CA MET B 87 13.820 2.537 -2.411 1.00 0.00 C ATOM 1318 C MET B 87 13.323 3.564 -1.392 1.00 0.00 C ATOM 1319 O MET B 87 13.882 3.687 -0.303 1.00 0.00 O ATOM 1320 CB MET B 87 14.197 3.221 -3.721 1.00 0.00 C ATOM 1321 CG MET B 87 14.722 4.623 -3.541 1.00 0.00 C ATOM 1322 SD MET B 87 16.526 4.724 -3.535 1.00 0.00 S ATOM 1323 CE MET B 87 16.928 3.789 -2.060 1.00 0.00 C ATOM 0 H MET B 87 11.858 1.845 -2.467 1.00 0.00 H new ATOM 0 HA MET B 87 14.697 2.051 -1.984 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.952 2.622 -4.230 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.322 3.250 -4.371 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.334 5.253 -4.341 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.341 5.027 -2.603 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.925 4.063 -1.716 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.201 4.011 -1.279 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.903 2.723 -2.287 1.00 0.00 H new ATOM 1333 N TYR B 88 12.282 4.315 -1.753 1.00 0.00 N ATOM 1334 CA TYR B 88 11.731 5.322 -0.864 1.00 0.00 C ATOM 1335 C TYR B 88 10.213 5.337 -0.976 1.00 0.00 C ATOM 1336 O TYR B 88 9.645 6.008 -1.834 1.00 0.00 O ATOM 1337 CB TYR B 88 12.304 6.701 -1.196 1.00 0.00 C ATOM 1338 CG TYR B 88 12.116 7.718 -0.092 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.954 8.472 -0.003 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.101 7.919 0.868 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.780 9.398 1.007 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.933 8.843 1.883 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.770 9.580 1.946 1.00 0.00 C ATOM 1344 OH TYR B 88 11.588 10.496 2.961 1.00 0.00 O ATOM 0 H TYR B 88 11.809 4.241 -2.654 1.00 0.00 H new ATOM 0 HA TYR B 88 12.007 5.075 0.161 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.368 6.601 -1.409 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.831 7.072 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.173 8.332 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.014 7.343 0.820 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.870 9.977 1.060 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.708 8.986 2.621 1.00 0.00 H new ATOM 0 HH TYR B 88 12.378 10.504 3.540 1.00 0.00 H new ATOM 1354 N ILE B 89 9.575 4.552 -0.137 1.00 0.00 N ATOM 1355 CA ILE B 89 8.127 4.484 -0.088 1.00 0.00 C ATOM 1356 C ILE B 89 7.579 5.494 0.913 1.00 0.00 C ATOM 1357 O ILE B 89 8.082 5.601 2.030 1.00 0.00 O ATOM 1358 CB ILE B 89 7.644 3.053 0.273 1.00 0.00 C ATOM 1359 CG1 ILE B 89 7.849 2.096 -0.911 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.179 3.055 0.695 1.00 0.00 C ATOM 1361 CD1 ILE B 89 9.295 1.787 -1.235 1.00 0.00 C ATOM 0 H ILE B 89 10.043 3.941 0.532 1.00 0.00 H new ATOM 0 HA ILE B 89 7.747 4.730 -1.080 1.00 0.00 H new ATOM 0 HB ILE B 89 8.243 2.705 1.115 1.00 0.00 H new ATOM 0 HG12 ILE B 89 7.331 1.161 -0.698 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.378 2.527 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.870 2.039 0.941 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.053 3.695 1.568 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.565 3.433 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.340 1.104 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE B 89 9.817 2.711 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE B 89 9.770 1.323 -0.371 1.00 0.00 H new ATOM 1373 N GLU B 90 6.570 6.254 0.505 1.00 0.00 N ATOM 1374 CA GLU B 90 5.942 7.215 1.402 1.00 0.00 C ATOM 1375 C GLU B 90 4.477 6.870 1.610 1.00 0.00 C ATOM 1376 O GLU B 90 3.938 5.968 0.967 1.00 0.00 O ATOM 1377 CB GLU B 90 6.042 8.644 0.868 1.00 0.00 C ATOM 1378 CG GLU B 90 7.415 9.023 0.346 1.00 0.00 C ATOM 1379 CD GLU B 90 7.509 10.489 -0.025 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.805 11.314 0.866 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.284 10.828 -1.205 1.00 0.00 O ATOM 0 H GLU B 90 6.172 6.224 -0.434 1.00 0.00 H new ATOM 0 HA GLU B 90 6.477 7.160 2.350 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.314 8.771 0.067 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.765 9.336 1.663 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.164 8.794 1.104 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.649 8.414 -0.528 1.00 0.00 H new ATOM 1388 N ILE B 91 3.842 7.626 2.490 1.00 0.00 N ATOM 1389 CA ILE B 91 2.453 7.400 2.872 1.00 0.00 C ATOM 1390 C ILE B 91 1.788 8.731 3.198 1.00 0.00 C ATOM 1391 O ILE B 91 2.287 9.480 4.041 1.00 0.00 O ATOM 1392 CB ILE B 91 2.348 6.494 4.124 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.830 5.073 3.820 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.927 6.476 4.677 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.855 4.173 5.034 1.00 0.00 C ATOM 0 H ILE B 91 4.276 8.419 2.963 1.00 0.00 H new ATOM 0 HA ILE B 91 1.959 6.910 2.033 1.00 0.00 H new ATOM 0 HB ILE B 91 3.000 6.916 4.889 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.181 4.632 3.063 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.831 5.121 3.392 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.886 5.831 5.555 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.632 7.488 4.956 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.245 6.096 3.916 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.206 3.182 4.745 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.526 4.592 5.784 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.850 4.095 5.450 1.00 0.00 H new ATOM 1407 N LYS B 92 0.677 9.024 2.531 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.064 10.263 2.767 1.00 0.00 C ATOM 1409 C LYS B 92 -1.324 10.321 1.917 1.00 0.00 C ATOM 1410 O LYS B 92 -1.444 9.610 0.918 1.00 0.00 O ATOM 1411 CB LYS B 92 0.815 11.474 2.459 1.00 0.00 C ATOM 1412 CG LYS B 92 1.486 11.405 1.102 1.00 0.00 C ATOM 1413 CD LYS B 92 2.597 12.431 1.007 1.00 0.00 C ATOM 1414 CE LYS B 92 3.214 12.487 -0.378 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.206 13.590 -0.490 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.267 8.419 1.819 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.353 10.281 3.818 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.206 12.377 2.509 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.581 11.563 3.230 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.891 10.406 0.940 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.751 11.582 0.317 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.204 13.414 1.267 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.371 12.194 1.737 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.699 11.536 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.429 12.626 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.608 13.599 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 3.737 14.499 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 4.967 13.444 0.203 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.263 11.170 2.321 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.484 11.361 1.573 1.00 0.00 C ATOM 1431 C GLN B 93 -3.263 12.306 0.404 1.00 0.00 C ATOM 1432 O GLN B 93 -2.255 13.012 0.327 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.633 11.835 2.481 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.303 12.969 3.451 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.005 14.294 2.774 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -4.917 15.056 2.455 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.730 14.597 2.594 1.00 0.00 N ATOM 0 H GLN B 93 -2.194 11.736 3.167 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.780 10.395 1.163 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.460 12.156 1.848 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.987 10.982 3.059 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.141 13.103 4.136 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -3.442 12.679 4.053 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.005 13.936 2.873 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.472 15.491 2.177 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.205 12.296 -0.505 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.090 13.024 -1.748 1.00 0.00 C ATOM 1448 C ILE B 94 -5.128 14.138 -1.834 1.00 0.00 C ATOM 1449 O ILE B 94 -6.297 13.850 -2.155 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.236 12.049 -2.929 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.322 11.020 -2.612 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.912 11.352 -3.181 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.559 10.014 -3.717 1.00 0.00 C ATOM 1454 OXT ILE B 94 -4.765 15.305 -1.568 1.00 0.00 O ATOM 0 H ILE B 94 -5.079 11.780 -0.405 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.107 13.492 -1.790 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.521 12.601 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -5.048 10.487 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.255 11.544 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -3.018 10.662 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.149 12.094 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.617 10.799 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -6.343 9.320 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.865 10.535 -4.624 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.639 9.461 -3.909 1.00 0.00 H new