USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 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 35 GLN : amide:sc= -0.489 K(o=-0.59,f=-2.1) USER MOD Set 1.2: B 83 ASN : amide:sc= -0.0967 K(o=-0.59,f=-3.7!) USER MOD Set 2.1: B 24 LYS NZ :NH3+ 153:sc= 1.29 (180deg=-0.887) USER MOD Set 2.2: B 45 TYR OH : rot -97:sc= 1.07 USER MOD Set 3.1: B 14 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.3!) USER MOD Set 3.2: B 31 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 159:sc= -0.16 (180deg=-0.674) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : B 12 SER OG : rot -167:sc= 0.0235 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -2.97! C(o=-3!,f=-7.8!) USER MOD Single : B 19 LYS NZ :NH3+ -136:sc= 0.332 (180deg=-3.22!) USER MOD Single : B 21 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.47) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.171) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.04) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 LYS NZ :NH3+ -169:sc= -0.0615 (180deg=-0.225) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.932 USER MOD Single : B 40 SER OG : rot 41:sc= 1.02 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.029) USER MOD Single : B 48 SER OG : rot 180:sc= -0.132 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= -0.224 X(o=-0.22,f=0.21) USER MOD Single : B 59 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.2!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 15:sc= -1.93 USER MOD Single : B 65 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= -4.35! C(o=-4.3!,f=-5.9!) USER MOD Single : B 69 LYS NZ :NH3+ 167:sc= -0.0196 (180deg=-0.213) USER MOD Single : B 70 SER OG : rot 11:sc= 0.248! USER MOD Single : B 71 THR OG1 : rot -2:sc= 1.31 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 80 ASN : amide:sc= -0.922 K(o=-0.92,f=0.23) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.109) USER MOD Single : B 87 MET CE :methyl 152:sc= -0.326 (180deg=-1.27) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ -175:sc= 1.03 (180deg=1.02) USER MOD Single : B 93 GLN : amide:sc= -1.29! C(o=-1.3!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.512 -0.095 3.292 1.00 0.00 N ATOM 145 CA MET B 10 11.224 0.873 4.342 1.00 0.00 C ATOM 146 C MET B 10 10.074 0.411 5.231 1.00 0.00 C ATOM 147 O MET B 10 9.398 -0.574 4.928 1.00 0.00 O ATOM 148 CB MET B 10 10.882 2.239 3.740 1.00 0.00 C ATOM 149 CG MET B 10 11.969 2.817 2.848 1.00 0.00 C ATOM 150 SD MET B 10 11.537 4.445 2.202 1.00 0.00 S ATOM 151 CE MET B 10 11.471 5.411 3.709 1.00 0.00 C ATOM 0 HA MET B 10 12.122 0.960 4.954 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.963 2.149 3.161 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.681 2.940 4.550 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.899 2.888 3.413 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.153 2.136 2.017 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.588 6.468 3.469 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.510 5.254 4.200 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.274 5.099 4.376 1.00 0.00 H new ATOM 161 N ASN B 11 9.849 1.130 6.320 1.00 0.00 N ATOM 162 CA ASN B 11 8.746 0.848 7.219 1.00 0.00 C ATOM 163 C ASN B 11 7.413 0.893 6.476 1.00 0.00 C ATOM 164 O ASN B 11 6.482 0.150 6.791 1.00 0.00 O ATOM 165 CB ASN B 11 8.731 1.851 8.375 1.00 0.00 C ATOM 166 CG ASN B 11 7.623 1.575 9.376 1.00 0.00 C ATOM 167 OD1 ASN B 11 6.509 2.082 9.246 1.00 0.00 O ATOM 168 ND2 ASN B 11 7.925 0.773 10.384 1.00 0.00 N ATOM 0 H ASN B 11 10.425 1.923 6.603 1.00 0.00 H new ATOM 0 HA ASN B 11 8.886 -0.156 7.620 1.00 0.00 H new ATOM 0 HB2 ASN B 11 9.693 1.823 8.887 1.00 0.00 H new ATOM 0 HB3 ASN B 11 8.611 2.858 7.975 1.00 0.00 H new ATOM 0 HD21 ASN B 11 7.222 0.554 11.090 1.00 0.00 H new ATOM 0 HD22 ASN B 11 8.861 0.373 10.455 1.00 0.00 H new ATOM 175 N SER B 12 7.356 1.729 5.446 1.00 0.00 N ATOM 176 CA SER B 12 6.136 1.973 4.709 1.00 0.00 C ATOM 177 C SER B 12 5.662 0.709 4.011 1.00 0.00 C ATOM 178 O SER B 12 4.463 0.497 3.850 1.00 0.00 O ATOM 179 CB SER B 12 6.379 3.086 3.699 1.00 0.00 C ATOM 180 OG SER B 12 7.721 3.050 3.240 1.00 0.00 O ATOM 0 H SER B 12 8.160 2.255 5.103 1.00 0.00 H new ATOM 0 HA SER B 12 5.353 2.278 5.403 1.00 0.00 H new ATOM 0 HB2 SER B 12 5.696 2.977 2.856 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.170 4.053 4.156 1.00 0.00 H new ATOM 0 HG SER B 12 7.926 3.881 2.763 1.00 0.00 H new ATOM 186 N ILE B 13 6.612 -0.135 3.627 1.00 0.00 N ATOM 187 CA ILE B 13 6.299 -1.408 2.996 1.00 0.00 C ATOM 188 C ILE B 13 5.330 -2.200 3.866 1.00 0.00 C ATOM 189 O ILE B 13 4.335 -2.750 3.395 1.00 0.00 O ATOM 190 CB ILE B 13 7.564 -2.270 2.795 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.661 -1.481 2.081 1.00 0.00 C ATOM 192 CG2 ILE B 13 7.228 -3.535 2.016 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.426 -1.299 0.596 1.00 0.00 C ATOM 0 H ILE B 13 7.610 0.042 3.743 1.00 0.00 H new ATOM 0 HA ILE B 13 5.856 -1.183 2.026 1.00 0.00 H new ATOM 0 HB ILE B 13 7.938 -2.553 3.779 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.749 -0.500 2.547 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.614 -1.990 2.227 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.131 -4.131 1.883 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.488 -4.115 2.567 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.825 -3.265 1.040 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.249 -0.729 0.165 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.369 -2.275 0.114 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.491 -0.761 0.439 1.00 0.00 H new ATOM 205 N ASN B 14 5.641 -2.223 5.149 1.00 0.00 N ATOM 206 CA ASN B 14 4.879 -2.973 6.129 1.00 0.00 C ATOM 207 C ASN B 14 3.667 -2.166 6.574 1.00 0.00 C ATOM 208 O ASN B 14 2.618 -2.717 6.908 1.00 0.00 O ATOM 209 CB ASN B 14 5.774 -3.282 7.335 1.00 0.00 C ATOM 210 CG ASN B 14 7.090 -3.926 6.931 1.00 0.00 C ATOM 211 OD1 ASN B 14 7.208 -5.148 6.884 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.092 -3.107 6.641 1.00 0.00 N ATOM 0 H ASN B 14 6.435 -1.718 5.543 1.00 0.00 H new ATOM 0 HA ASN B 14 4.533 -3.906 5.684 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.976 -2.360 7.879 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.243 -3.945 8.018 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.998 -3.487 6.368 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.956 -2.097 6.691 1.00 0.00 H new ATOM 219 N SER B 15 3.819 -0.851 6.544 1.00 0.00 N ATOM 220 CA SER B 15 2.804 0.055 7.027 1.00 0.00 C ATOM 221 C SER B 15 1.596 0.093 6.096 1.00 0.00 C ATOM 222 O SER B 15 0.493 0.377 6.545 1.00 0.00 O ATOM 223 CB SER B 15 3.394 1.455 7.207 1.00 0.00 C ATOM 224 OG SER B 15 2.481 2.328 7.852 1.00 0.00 O ATOM 0 H SER B 15 4.653 -0.387 6.183 1.00 0.00 H new ATOM 0 HA SER B 15 2.457 -0.310 7.994 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.312 1.391 7.792 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.664 1.865 6.234 1.00 0.00 H new ATOM 0 HG SER B 15 2.890 3.213 7.953 1.00 0.00 H new ATOM 230 N VAL B 16 1.797 -0.184 4.804 1.00 0.00 N ATOM 231 CA VAL B 16 0.677 -0.251 3.860 1.00 0.00 C ATOM 232 C VAL B 16 -0.321 -1.306 4.321 1.00 0.00 C ATOM 233 O VAL B 16 -1.537 -1.089 4.315 1.00 0.00 O ATOM 234 CB VAL B 16 1.136 -0.593 2.423 1.00 0.00 C ATOM 235 CG1 VAL B 16 -0.060 -0.719 1.489 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.104 0.448 1.891 1.00 0.00 C ATOM 0 H VAL B 16 2.712 -0.363 4.392 1.00 0.00 H new ATOM 0 HA VAL B 16 0.216 0.736 3.840 1.00 0.00 H new ATOM 0 HB VAL B 16 1.653 -1.552 2.464 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.287 -0.960 0.484 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.718 -1.512 1.845 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.606 0.224 1.468 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.408 0.179 0.879 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.618 1.423 1.877 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.983 0.490 2.535 1.00 0.00 H new ATOM 246 N ASN B 17 0.222 -2.433 4.753 1.00 0.00 N ATOM 247 CA ASN B 17 -0.570 -3.560 5.214 1.00 0.00 C ATOM 248 C ASN B 17 -1.365 -3.191 6.459 1.00 0.00 C ATOM 249 O ASN B 17 -2.558 -3.468 6.551 1.00 0.00 O ATOM 250 CB ASN B 17 0.350 -4.731 5.498 1.00 0.00 C ATOM 251 CG ASN B 17 -0.385 -6.050 5.530 1.00 0.00 C ATOM 252 OD1 ASN B 17 -1.440 -6.223 4.924 1.00 0.00 O ATOM 253 ND2 ASN B 17 0.191 -6.990 6.224 1.00 0.00 N ATOM 0 H ASN B 17 1.229 -2.592 4.794 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.282 -3.838 4.437 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.128 -4.771 4.736 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.849 -4.573 6.454 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.234 -7.916 6.280 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.067 -6.800 6.711 1.00 0.00 H new ATOM 260 N ASP B 18 -0.700 -2.535 7.400 1.00 0.00 N ATOM 261 CA ASP B 18 -1.321 -2.121 8.644 1.00 0.00 C ATOM 262 C ASP B 18 -2.281 -0.952 8.432 1.00 0.00 C ATOM 263 O ASP B 18 -3.247 -0.787 9.175 1.00 0.00 O ATOM 264 CB ASP B 18 -0.235 -1.735 9.640 1.00 0.00 C ATOM 265 CG ASP B 18 0.141 -2.873 10.567 1.00 0.00 C ATOM 266 OD1 ASP B 18 0.859 -3.794 10.124 1.00 0.00 O ATOM 267 OD2 ASP B 18 -0.266 -2.850 11.747 1.00 0.00 O1- ATOM 0 H ASP B 18 0.283 -2.277 7.320 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.904 -2.955 9.034 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.651 -1.407 9.096 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.577 -0.887 10.233 1.00 0.00 H new ATOM 272 N LYS B 19 -2.003 -0.141 7.418 1.00 0.00 N ATOM 273 CA LYS B 19 -2.828 0.994 7.074 1.00 0.00 C ATOM 274 C LYS B 19 -4.182 0.553 6.531 1.00 0.00 C ATOM 275 O LYS B 19 -5.229 1.010 6.985 1.00 0.00 O ATOM 276 CB LYS B 19 -2.071 1.794 6.025 1.00 0.00 C ATOM 277 CG LYS B 19 -2.937 2.496 5.018 1.00 0.00 C ATOM 278 CD LYS B 19 -3.620 3.722 5.590 1.00 0.00 C ATOM 279 CE LYS B 19 -4.774 4.146 4.704 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.921 3.205 4.809 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.191 -0.260 6.812 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.026 1.596 7.961 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.453 2.536 6.531 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.394 1.123 5.496 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.328 2.790 4.163 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.693 1.803 4.648 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -3.984 3.508 6.595 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -2.902 4.538 5.679 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -5.099 5.148 4.984 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.438 4.197 3.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -6.294 3.005 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.603 2.318 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -6.669 3.633 5.391 1.00 0.00 H new ATOM 294 N LEU B 20 -4.153 -0.305 5.528 1.00 0.00 N ATOM 295 CA LEU B 20 -5.374 -0.749 4.887 1.00 0.00 C ATOM 296 C LEU B 20 -6.160 -1.717 5.777 1.00 0.00 C ATOM 297 O LEU B 20 -7.389 -1.791 5.694 1.00 0.00 O ATOM 298 CB LEU B 20 -5.063 -1.380 3.529 1.00 0.00 C ATOM 299 CG LEU B 20 -4.494 -0.414 2.484 1.00 0.00 C ATOM 300 CD1 LEU B 20 -4.150 -1.154 1.201 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.481 0.710 2.200 1.00 0.00 C ATOM 0 H LEU B 20 -3.299 -0.707 5.141 1.00 0.00 H new ATOM 0 HA LEU B 20 -6.005 0.125 4.727 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -4.352 -2.193 3.677 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.976 -1.824 3.133 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.580 0.023 2.886 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.748 -0.451 0.472 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -3.407 -1.923 1.412 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.049 -1.620 0.798 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.059 1.385 1.456 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.413 0.289 1.821 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.679 1.261 3.119 1.00 0.00 H new ATOM 313 N ASN B 21 -5.451 -2.435 6.639 1.00 0.00 N ATOM 314 CA ASN B 21 -6.076 -3.393 7.549 1.00 0.00 C ATOM 315 C ASN B 21 -6.447 -2.717 8.870 1.00 0.00 C ATOM 316 O ASN B 21 -5.768 -2.878 9.886 1.00 0.00 O ATOM 317 CB ASN B 21 -5.130 -4.573 7.799 1.00 0.00 C ATOM 318 CG ASN B 21 -5.707 -5.623 8.732 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.919 -5.825 8.795 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.835 -6.305 9.458 1.00 0.00 N ATOM 0 H ASN B 21 -4.437 -2.373 6.729 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.991 -3.766 7.088 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.885 -5.041 6.845 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.197 -4.198 8.219 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.160 -7.029 10.099 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.838 -6.107 9.376 1.00 0.00 H new ATOM 327 N LYS B 22 -7.521 -1.943 8.836 1.00 0.00 N ATOM 328 CA LYS B 22 -8.023 -1.248 10.021 1.00 0.00 C ATOM 329 C LYS B 22 -9.535 -1.377 10.113 1.00 0.00 C ATOM 330 O LYS B 22 -10.270 -0.388 10.047 1.00 0.00 O ATOM 331 CB LYS B 22 -7.630 0.223 9.996 1.00 0.00 C ATOM 332 CG LYS B 22 -6.137 0.442 10.114 1.00 0.00 C ATOM 333 CD LYS B 22 -5.772 1.913 10.001 1.00 0.00 C ATOM 334 CE LYS B 22 -6.345 2.716 11.156 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.108 4.172 10.990 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.070 -1.777 7.993 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.573 -1.713 10.898 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.985 0.672 9.068 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.133 0.741 10.813 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.787 0.053 11.070 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.624 -0.121 9.334 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.687 2.020 9.984 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.146 2.311 9.058 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.416 2.529 11.232 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -5.896 2.379 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.514 4.684 11.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.085 4.354 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -6.558 4.499 10.112 1.00 0.00 H new ATOM 349 N GLY B 23 -9.988 -2.605 10.259 1.00 0.00 N ATOM 350 CA GLY B 23 -11.411 -2.870 10.327 1.00 0.00 C ATOM 351 C GLY B 23 -12.027 -2.853 8.952 1.00 0.00 C ATOM 352 O GLY B 23 -12.974 -2.111 8.684 1.00 0.00 O ATOM 0 H GLY B 23 -9.395 -3.432 10.333 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.583 -3.839 10.795 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.895 -2.123 10.956 1.00 0.00 H new ATOM 356 N LYS B 24 -11.463 -3.660 8.073 1.00 0.00 N ATOM 357 CA LYS B 24 -11.846 -3.680 6.679 1.00 0.00 C ATOM 358 C LYS B 24 -11.948 -5.120 6.175 1.00 0.00 C ATOM 359 O LYS B 24 -12.218 -6.038 6.954 1.00 0.00 O ATOM 360 CB LYS B 24 -10.794 -2.926 5.871 1.00 0.00 C ATOM 361 CG LYS B 24 -10.569 -1.487 6.314 1.00 0.00 C ATOM 362 CD LYS B 24 -11.722 -0.582 5.913 1.00 0.00 C ATOM 363 CE LYS B 24 -11.410 0.877 6.207 1.00 0.00 C ATOM 364 NZ LYS B 24 -10.150 1.316 5.552 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.724 -4.322 8.310 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.820 -3.204 6.564 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.849 -3.465 5.937 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.090 -2.928 4.822 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.443 -1.456 7.396 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.644 -1.113 5.875 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.930 -0.704 4.850 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.623 -0.878 6.450 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.235 1.501 5.863 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -11.329 1.021 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -10.190 2.340 5.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -9.343 1.103 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -10.034 0.812 4.650 1.00 0.00 H new ATOM 378 N GLY B 25 -11.729 -5.305 4.875 1.00 0.00 N ATOM 379 CA GLY B 25 -11.728 -6.635 4.290 1.00 0.00 C ATOM 380 C GLY B 25 -10.422 -7.357 4.560 1.00 0.00 C ATOM 381 O GLY B 25 -9.546 -6.820 5.241 1.00 0.00 O ATOM 0 H GLY B 25 -11.551 -4.550 4.212 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.557 -7.214 4.698 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.889 -6.561 3.215 1.00 0.00 H new ATOM 385 N LYS B 26 -10.273 -8.565 4.029 1.00 0.00 N ATOM 386 CA LYS B 26 -9.034 -9.302 4.191 1.00 0.00 C ATOM 387 C LYS B 26 -8.054 -8.968 3.084 1.00 0.00 C ATOM 388 O LYS B 26 -8.390 -9.032 1.901 1.00 0.00 O ATOM 389 CB LYS B 26 -9.294 -10.804 4.229 1.00 0.00 C ATOM 390 CG LYS B 26 -9.519 -11.325 5.632 1.00 0.00 C ATOM 391 CD LYS B 26 -10.931 -11.839 5.842 1.00 0.00 C ATOM 392 CE LYS B 26 -11.210 -13.093 5.025 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.422 -13.809 5.505 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.990 -9.048 3.488 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.594 -9.003 5.142 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -10.167 -11.033 3.617 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.447 -11.326 3.784 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.810 -12.127 5.836 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.315 -10.529 6.349 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.085 -12.054 6.899 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.644 -11.062 5.568 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.339 -12.822 3.977 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.349 -13.760 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.775 -14.436 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.182 -14.374 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.158 -13.118 5.753 1.00 0.00 H new ATOM 407 N LEU B 27 -6.852 -8.603 3.487 1.00 0.00 N ATOM 408 CA LEU B 27 -5.794 -8.258 2.584 1.00 0.00 C ATOM 409 C LEU B 27 -4.462 -8.474 3.295 1.00 0.00 C ATOM 410 O LEU B 27 -4.130 -7.770 4.252 1.00 0.00 O ATOM 411 CB LEU B 27 -5.946 -6.810 2.128 1.00 0.00 C ATOM 412 CG LEU B 27 -4.681 -6.208 1.552 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.364 -6.809 0.191 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.789 -4.696 1.463 1.00 0.00 C ATOM 0 H LEU B 27 -6.588 -8.540 4.470 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.833 -8.889 1.696 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.735 -6.757 1.378 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.270 -6.206 2.975 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.859 -6.447 2.227 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.451 -6.360 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.225 -7.885 0.292 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.188 -6.613 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.868 -4.289 1.046 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.627 -4.428 0.820 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.950 -4.283 2.459 1.00 0.00 H new ATOM 426 N SER B 28 -3.729 -9.472 2.847 1.00 0.00 N ATOM 427 CA SER B 28 -2.474 -9.850 3.461 1.00 0.00 C ATOM 428 C SER B 28 -1.307 -9.475 2.563 1.00 0.00 C ATOM 429 O SER B 28 -1.115 -10.079 1.511 1.00 0.00 O ATOM 430 CB SER B 28 -2.464 -11.357 3.704 1.00 0.00 C ATOM 431 OG SER B 28 -3.605 -11.764 4.444 1.00 0.00 O ATOM 0 H SER B 28 -3.988 -10.045 2.044 1.00 0.00 H new ATOM 0 HA SER B 28 -2.372 -9.320 4.408 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.440 -11.882 2.749 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.559 -11.635 4.244 1.00 0.00 H new ATOM 0 HG SER B 28 -3.575 -12.733 4.584 1.00 0.00 H new ATOM 437 N LEU B 29 -0.544 -8.471 2.958 1.00 0.00 N ATOM 438 CA LEU B 29 0.641 -8.098 2.209 1.00 0.00 C ATOM 439 C LEU B 29 1.833 -8.924 2.645 1.00 0.00 C ATOM 440 O LEU B 29 1.864 -9.484 3.742 1.00 0.00 O ATOM 441 CB LEU B 29 0.986 -6.620 2.384 1.00 0.00 C ATOM 442 CG LEU B 29 0.181 -5.623 1.541 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.303 -5.717 1.842 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.672 -4.209 1.788 1.00 0.00 C ATOM 0 H LEU B 29 -0.722 -7.904 3.787 1.00 0.00 H new ATOM 0 HA LEU B 29 0.417 -8.286 1.159 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.855 -6.362 3.435 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.043 -6.487 2.152 1.00 0.00 H new ATOM 0 HG LEU B 29 0.330 -5.877 0.492 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.845 -4.998 1.228 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.656 -6.724 1.619 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.475 -5.497 2.896 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.092 -3.512 1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.552 -3.961 2.843 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.725 -4.137 1.516 1.00 0.00 H new ATOM 456 N SER B 30 2.805 -8.984 1.770 1.00 0.00 N ATOM 457 CA SER B 30 4.068 -9.602 2.044 1.00 0.00 C ATOM 458 C SER B 30 5.176 -8.708 1.523 1.00 0.00 C ATOM 459 O SER B 30 5.056 -8.108 0.451 1.00 0.00 O ATOM 460 CB SER B 30 4.154 -10.962 1.399 1.00 0.00 C ATOM 461 OG SER B 30 3.068 -11.797 1.772 1.00 0.00 O ATOM 0 H SER B 30 2.734 -8.595 0.830 1.00 0.00 H new ATOM 0 HA SER B 30 4.173 -9.735 3.121 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.169 -10.849 0.315 1.00 0.00 H new ATOM 0 HB3 SER B 30 5.092 -11.439 1.682 1.00 0.00 H new ATOM 0 HG SER B 30 3.159 -12.668 1.332 1.00 0.00 H new ATOM 467 N MET B 31 6.241 -8.615 2.282 1.00 0.00 N ATOM 468 CA MET B 31 7.319 -7.699 1.977 1.00 0.00 C ATOM 469 C MET B 31 8.475 -8.428 1.318 1.00 0.00 C ATOM 470 O MET B 31 8.980 -9.421 1.848 1.00 0.00 O ATOM 471 CB MET B 31 7.788 -7.013 3.259 1.00 0.00 C ATOM 472 CG MET B 31 6.646 -6.503 4.124 1.00 0.00 C ATOM 473 SD MET B 31 5.893 -7.797 5.136 1.00 0.00 S ATOM 474 CE MET B 31 4.548 -6.894 5.899 1.00 0.00 C ATOM 0 H MET B 31 6.387 -9.169 3.126 1.00 0.00 H new ATOM 0 HA MET B 31 6.952 -6.946 1.279 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.388 -7.714 3.839 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.438 -6.177 2.998 1.00 0.00 H new ATOM 0 HG2 MET B 31 7.016 -5.710 4.774 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.883 -6.060 3.484 1.00 0.00 H new ATOM 0 HE1 MET B 31 3.787 -7.595 6.241 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.927 -6.326 6.749 1.00 0.00 H new ATOM 0 HE3 MET B 31 4.110 -6.210 5.172 1.00 0.00 H new ATOM 484 N ASN B 32 8.882 -7.945 0.156 1.00 0.00 N ATOM 485 CA ASN B 32 9.998 -8.538 -0.560 1.00 0.00 C ATOM 486 C ASN B 32 10.859 -7.432 -1.165 1.00 0.00 C ATOM 487 O ASN B 32 11.070 -7.389 -2.375 1.00 0.00 O ATOM 488 CB ASN B 32 9.464 -9.486 -1.650 1.00 0.00 C ATOM 489 CG ASN B 32 10.483 -10.509 -2.139 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.118 -11.641 -2.462 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.749 -10.135 -2.219 1.00 0.00 N ATOM 0 H ASN B 32 8.456 -7.144 -0.311 1.00 0.00 H new ATOM 0 HA ASN B 32 10.616 -9.118 0.125 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.593 -10.014 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.125 -8.892 -2.499 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.454 -10.791 -2.556 1.00 0.00 H new ATOM 0 HD22 ASN B 32 12.020 -9.191 -1.944 1.00 0.00 H new ATOM 498 N GLY B 33 11.362 -6.557 -0.291 1.00 0.00 N ATOM 499 CA GLY B 33 12.253 -5.472 -0.690 1.00 0.00 C ATOM 500 C GLY B 33 11.737 -4.645 -1.848 1.00 0.00 C ATOM 501 O GLY B 33 10.948 -3.722 -1.662 1.00 0.00 O ATOM 0 H GLY B 33 11.162 -6.583 0.709 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.417 -4.817 0.166 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.222 -5.892 -0.960 1.00 0.00 H new ATOM 505 N ASN B 34 12.185 -4.997 -3.044 1.00 0.00 N ATOM 506 CA ASN B 34 11.853 -4.259 -4.250 1.00 0.00 C ATOM 507 C ASN B 34 10.559 -4.771 -4.865 1.00 0.00 C ATOM 508 O ASN B 34 10.277 -4.510 -6.036 1.00 0.00 O ATOM 509 CB ASN B 34 12.995 -4.370 -5.264 1.00 0.00 C ATOM 510 CG ASN B 34 14.257 -3.672 -4.801 1.00 0.00 C ATOM 511 OD1 ASN B 34 15.054 -4.236 -4.047 1.00 0.00 O ATOM 512 ND2 ASN B 34 14.471 -2.457 -5.277 1.00 0.00 N ATOM 0 H ASN B 34 12.789 -5.803 -3.204 1.00 0.00 H new ATOM 0 HA ASN B 34 11.712 -3.212 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.213 -5.422 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN B 34 12.675 -3.941 -6.214 1.00 0.00 H new ATOM 0 HD21 ASN B 34 15.320 -1.952 -5.023 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.787 -2.025 -5.898 1.00 0.00 H new ATOM 519 N GLN B 35 9.792 -5.531 -4.088 1.00 0.00 N ATOM 520 CA GLN B 35 8.475 -5.969 -4.515 1.00 0.00 C ATOM 521 C GLN B 35 7.493 -5.911 -3.375 1.00 0.00 C ATOM 522 O GLN B 35 7.820 -6.217 -2.224 1.00 0.00 O ATOM 523 CB GLN B 35 8.490 -7.388 -5.069 1.00 0.00 C ATOM 524 CG GLN B 35 9.535 -7.578 -6.144 1.00 0.00 C ATOM 525 CD GLN B 35 9.439 -8.913 -6.853 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.755 -9.021 -8.038 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.026 -9.943 -6.133 1.00 0.00 N ATOM 0 H GLN B 35 10.064 -5.854 -3.160 1.00 0.00 H new ATOM 0 HA GLN B 35 8.170 -5.287 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN B 35 8.677 -8.090 -4.256 1.00 0.00 H new ATOM 0 HB3 GLN B 35 7.507 -7.626 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.439 -6.778 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN B 35 10.525 -7.483 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN B 35 8.773 -9.812 -5.154 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.960 -10.868 -6.557 1.00 0.00 H new ATOM 536 N LEU B 36 6.287 -5.537 -3.715 1.00 0.00 N ATOM 537 CA LEU B 36 5.197 -5.553 -2.766 1.00 0.00 C ATOM 538 C LEU B 36 4.191 -6.594 -3.197 1.00 0.00 C ATOM 539 O LEU B 36 3.650 -6.542 -4.302 1.00 0.00 O ATOM 540 CB LEU B 36 4.525 -4.190 -2.641 1.00 0.00 C ATOM 541 CG LEU B 36 3.434 -4.106 -1.568 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.967 -4.549 -0.212 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.881 -2.691 -1.485 1.00 0.00 C ATOM 0 H LEU B 36 6.031 -5.215 -4.648 1.00 0.00 H new ATOM 0 HA LEU B 36 5.600 -5.799 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.288 -3.443 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.088 -3.926 -3.604 1.00 0.00 H new ATOM 0 HG LEU B 36 2.627 -4.781 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU B 36 3.173 -4.480 0.531 1.00 0.00 H new ATOM 0 HD12 LEU B 36 4.314 -5.580 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.796 -3.905 0.081 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.107 -2.647 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.685 -2.001 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.454 -2.410 -2.448 1.00 0.00 H new ATOM 555 N LYS B 37 3.967 -7.542 -2.324 1.00 0.00 N ATOM 556 CA LYS B 37 3.126 -8.681 -2.618 1.00 0.00 C ATOM 557 C LYS B 37 1.901 -8.614 -1.720 1.00 0.00 C ATOM 558 O LYS B 37 1.986 -8.077 -0.618 1.00 0.00 O ATOM 559 CB LYS B 37 3.914 -9.968 -2.359 1.00 0.00 C ATOM 560 CG LYS B 37 5.395 -9.870 -2.726 1.00 0.00 C ATOM 561 CD LYS B 37 5.642 -9.974 -4.220 1.00 0.00 C ATOM 562 CE LYS B 37 5.152 -11.299 -4.790 1.00 0.00 C ATOM 563 NZ LYS B 37 5.690 -12.468 -4.043 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.363 -7.549 -1.384 1.00 0.00 H new ATOM 0 HA LYS B 37 2.811 -8.671 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS B 37 3.827 -10.230 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.462 -10.781 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.792 -8.922 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.944 -10.662 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.138 -9.152 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.708 -9.866 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.063 -11.323 -4.763 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.446 -11.373 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.486 -13.341 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.719 -12.364 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 5.242 -12.517 -3.106 1.00 0.00 H new ATOM 577 N ALA B 38 0.770 -9.135 -2.172 1.00 0.00 N ATOM 578 CA ALA B 38 -0.453 -9.046 -1.384 1.00 0.00 C ATOM 579 C ALA B 38 -1.521 -10.019 -1.856 1.00 0.00 C ATOM 580 O ALA B 38 -1.678 -10.258 -3.054 1.00 0.00 O ATOM 581 CB ALA B 38 -1.000 -7.628 -1.420 1.00 0.00 C ATOM 0 H ALA B 38 0.672 -9.617 -3.066 1.00 0.00 H new ATOM 0 HA ALA B 38 -0.192 -9.317 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.913 -7.575 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -0.260 -6.942 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -1.219 -7.349 -2.451 1.00 0.00 H new ATOM 587 N THR B 39 -2.261 -10.561 -0.900 1.00 0.00 N ATOM 588 CA THR B 39 -3.397 -11.414 -1.179 1.00 0.00 C ATOM 589 C THR B 39 -4.637 -10.789 -0.559 1.00 0.00 C ATOM 590 O THR B 39 -4.526 -10.061 0.419 1.00 0.00 O ATOM 591 CB THR B 39 -3.175 -12.827 -0.604 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.538 -12.737 0.680 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.325 -13.672 -1.539 1.00 0.00 C ATOM 0 H THR B 39 -2.086 -10.418 0.095 1.00 0.00 H new ATOM 0 HA THR B 39 -3.523 -11.507 -2.258 1.00 0.00 H new ATOM 0 HB THR B 39 -4.148 -13.307 -0.497 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.401 -13.638 1.041 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.185 -14.663 -1.108 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.825 -13.763 -2.503 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.354 -13.196 -1.678 1.00 0.00 H new ATOM 601 N SER B 40 -5.806 -11.033 -1.117 1.00 0.00 N ATOM 602 CA SER B 40 -7.013 -10.435 -0.575 1.00 0.00 C ATOM 603 C SER B 40 -8.184 -11.397 -0.656 1.00 0.00 C ATOM 604 O SER B 40 -8.245 -12.253 -1.538 1.00 0.00 O ATOM 605 CB SER B 40 -7.334 -9.128 -1.306 1.00 0.00 C ATOM 606 OG SER B 40 -8.455 -8.468 -0.736 1.00 0.00 O ATOM 0 H SER B 40 -5.947 -11.630 -1.932 1.00 0.00 H new ATOM 0 HA SER B 40 -6.838 -10.211 0.477 1.00 0.00 H new ATOM 0 HB2 SER B 40 -6.467 -8.469 -1.270 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.531 -9.338 -2.357 1.00 0.00 H new ATOM 0 HG SER B 40 -8.412 -8.534 0.241 1.00 0.00 H new ATOM 612 N SER B 41 -9.098 -11.259 0.288 1.00 0.00 N ATOM 613 CA SER B 41 -10.292 -12.077 0.318 1.00 0.00 C ATOM 614 C SER B 41 -11.530 -11.204 0.378 1.00 0.00 C ATOM 615 O SER B 41 -11.520 -10.112 0.968 1.00 0.00 O ATOM 616 CB SER B 41 -10.259 -13.031 1.502 1.00 0.00 C ATOM 617 OG SER B 41 -8.998 -13.670 1.613 1.00 0.00 O ATOM 0 H SER B 41 -9.033 -10.582 1.048 1.00 0.00 H new ATOM 0 HA SER B 41 -10.326 -12.667 -0.598 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.474 -12.483 2.420 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.041 -13.782 1.389 1.00 0.00 H new ATOM 0 HG SER B 41 -9.005 -14.276 2.383 1.00 0.00 H new ATOM 623 N ASN B 42 -12.604 -11.721 -0.196 1.00 0.00 N ATOM 624 CA ASN B 42 -13.819 -10.955 -0.422 1.00 0.00 C ATOM 625 C ASN B 42 -14.685 -10.916 0.824 1.00 0.00 C ATOM 626 O ASN B 42 -15.889 -11.152 0.768 1.00 0.00 O ATOM 627 CB ASN B 42 -14.618 -11.532 -1.598 1.00 0.00 C ATOM 628 CG ASN B 42 -13.931 -11.346 -2.941 1.00 0.00 C ATOM 629 OD1 ASN B 42 -14.065 -12.177 -3.837 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.202 -10.250 -3.098 1.00 0.00 N ATOM 0 H ASN B 42 -12.658 -12.687 -0.519 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.522 -9.935 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.785 -12.596 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.598 -11.056 -1.630 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.730 -10.074 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.113 -9.582 -2.332 1.00 0.00 H new ATOM 637 N ALA B 43 -14.059 -10.610 1.948 1.00 0.00 N ATOM 638 CA ALA B 43 -14.784 -10.421 3.200 1.00 0.00 C ATOM 639 C ALA B 43 -15.544 -9.099 3.191 1.00 0.00 C ATOM 640 O ALA B 43 -16.276 -8.774 4.123 1.00 0.00 O ATOM 641 CB ALA B 43 -13.832 -10.475 4.380 1.00 0.00 C ATOM 0 H ALA B 43 -13.049 -10.486 2.022 1.00 0.00 H new ATOM 0 HA ALA B 43 -15.507 -11.231 3.299 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -14.391 -10.332 5.305 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -13.335 -11.445 4.402 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.085 -9.687 4.282 1.00 0.00 H new ATOM 647 N GLY B 44 -15.355 -8.345 2.118 1.00 0.00 N ATOM 648 CA GLY B 44 -16.051 -7.089 1.949 1.00 0.00 C ATOM 649 C GLY B 44 -15.395 -5.956 2.650 1.00 0.00 C ATOM 650 O GLY B 44 -15.891 -5.431 3.646 1.00 0.00 O ATOM 0 H GLY B 44 -14.724 -8.586 1.354 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.119 -6.859 0.886 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -17.071 -7.194 2.318 1.00 0.00 H new ATOM 654 N TYR B 45 -14.261 -5.583 2.114 1.00 0.00 N ATOM 655 CA TYR B 45 -13.693 -4.306 2.402 1.00 0.00 C ATOM 656 C TYR B 45 -14.647 -3.258 1.822 1.00 0.00 C ATOM 657 O TYR B 45 -15.301 -3.508 0.813 1.00 0.00 O ATOM 658 CB TYR B 45 -12.297 -4.221 1.771 1.00 0.00 C ATOM 659 CG TYR B 45 -11.565 -2.944 2.062 1.00 0.00 C ATOM 660 CD1 TYR B 45 -12.127 -1.740 1.732 1.00 0.00 C ATOM 661 CD2 TYR B 45 -10.336 -2.945 2.689 1.00 0.00 C ATOM 662 CE1 TYR B 45 -11.517 -0.562 2.016 1.00 0.00 C ATOM 663 CE2 TYR B 45 -9.693 -1.759 2.977 1.00 0.00 C ATOM 664 CZ TYR B 45 -10.292 -0.564 2.640 1.00 0.00 C ATOM 665 OH TYR B 45 -9.673 0.626 2.938 1.00 0.00 O ATOM 0 H TYR B 45 -13.715 -6.156 1.471 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.573 -4.139 3.472 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -11.698 -5.059 2.128 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -12.392 -4.334 0.691 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -13.084 -1.728 1.231 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -9.873 -3.883 2.957 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -11.991 0.372 1.753 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -8.728 -1.767 3.462 1.00 0.00 H new ATOM 0 HH TYR B 45 -9.022 0.840 2.238 1.00 0.00 H new ATOM 675 N GLY B 46 -14.718 -2.100 2.446 1.00 0.00 N ATOM 676 CA GLY B 46 -15.654 -1.089 2.016 1.00 0.00 C ATOM 677 C GLY B 46 -16.770 -0.933 3.015 1.00 0.00 C ATOM 678 O GLY B 46 -17.942 -1.100 2.692 1.00 0.00 O ATOM 0 H GLY B 46 -14.142 -1.839 3.247 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -15.137 -0.138 1.891 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -16.066 -1.358 1.043 1.00 0.00 H new ATOM 682 N ILE B 47 -16.387 -0.600 4.239 1.00 0.00 N ATOM 683 CA ILE B 47 -17.319 -0.559 5.351 1.00 0.00 C ATOM 684 C ILE B 47 -18.004 0.795 5.395 1.00 0.00 C ATOM 685 O ILE B 47 -19.193 0.923 5.112 1.00 0.00 O ATOM 686 CB ILE B 47 -16.593 -0.772 6.697 1.00 0.00 C ATOM 687 CG1 ILE B 47 -15.413 -1.741 6.541 1.00 0.00 C ATOM 688 CG2 ILE B 47 -17.569 -1.275 7.753 1.00 0.00 C ATOM 689 CD1 ILE B 47 -15.808 -3.164 6.212 1.00 0.00 C ATOM 0 H ILE B 47 -15.429 -0.353 4.486 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.046 -1.357 5.203 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.194 0.188 7.024 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.755 -1.369 5.755 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.836 -1.742 7.466 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -17.042 -1.420 8.696 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -18.365 -0.543 7.891 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -18.000 -2.222 7.429 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -14.912 -3.778 6.120 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.439 -3.560 7.008 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.358 -3.181 5.271 1.00 0.00 H new ATOM 701 N SER B 48 -17.223 1.802 5.745 1.00 0.00 N ATOM 702 CA SER B 48 -17.708 3.166 5.835 1.00 0.00 C ATOM 703 C SER B 48 -16.551 4.125 5.560 1.00 0.00 C ATOM 704 O SER B 48 -15.822 3.947 4.580 1.00 0.00 O ATOM 705 CB SER B 48 -18.303 3.414 7.226 1.00 0.00 C ATOM 706 OG SER B 48 -19.252 2.413 7.564 1.00 0.00 O ATOM 0 H SER B 48 -16.235 1.696 5.975 1.00 0.00 H new ATOM 0 HA SER B 48 -18.491 3.334 5.095 1.00 0.00 H new ATOM 0 HB2 SER B 48 -17.505 3.428 7.969 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.779 4.394 7.251 1.00 0.00 H new ATOM 0 HG SER B 48 -19.615 2.594 8.456 1.00 0.00 H new ATOM 712 N TYR B 49 -16.375 5.113 6.440 1.00 0.00 N ATOM 713 CA TYR B 49 -15.277 6.080 6.346 1.00 0.00 C ATOM 714 C TYR B 49 -15.390 6.932 5.090 1.00 0.00 C ATOM 715 O TYR B 49 -14.388 7.440 4.581 1.00 0.00 O ATOM 716 CB TYR B 49 -13.932 5.367 6.357 1.00 0.00 C ATOM 717 CG TYR B 49 -13.694 4.496 7.572 1.00 0.00 C ATOM 718 CD1 TYR B 49 -13.168 5.024 8.745 1.00 0.00 C ATOM 719 CD2 TYR B 49 -13.988 3.140 7.540 1.00 0.00 C ATOM 720 CE1 TYR B 49 -12.943 4.223 9.849 1.00 0.00 C ATOM 721 CE2 TYR B 49 -13.770 2.334 8.638 1.00 0.00 C ATOM 722 CZ TYR B 49 -13.247 2.879 9.789 1.00 0.00 C ATOM 723 OH TYR B 49 -13.017 2.072 10.883 1.00 0.00 O ATOM 0 H TYR B 49 -16.990 5.266 7.239 1.00 0.00 H new ATOM 0 HA TYR B 49 -15.347 6.735 7.215 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.855 4.750 5.462 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -13.139 6.113 6.299 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.931 6.077 8.795 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -14.395 2.708 6.638 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -12.532 4.647 10.753 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -14.008 1.281 8.595 1.00 0.00 H new ATOM 0 HH TYR B 49 -13.287 1.153 10.674 1.00 0.00 H new ATOM 733 N GLU B 50 -16.620 7.101 4.633 1.00 0.00 N ATOM 734 CA GLU B 50 -16.929 7.786 3.384 1.00 0.00 C ATOM 735 C GLU B 50 -15.987 7.364 2.266 1.00 0.00 C ATOM 736 O GLU B 50 -16.070 6.252 1.747 1.00 0.00 O ATOM 737 CB GLU B 50 -16.863 9.296 3.573 1.00 0.00 C ATOM 738 CG GLU B 50 -17.941 9.855 4.471 1.00 0.00 C ATOM 739 CD GLU B 50 -17.954 11.368 4.482 1.00 0.00 C ATOM 740 OE1 GLU B 50 -17.154 11.972 5.227 1.00 0.00 O ATOM 741 OE2 GLU B 50 -18.769 11.961 3.745 1.00 0.00 O1- ATOM 0 H GLU B 50 -17.446 6.762 5.126 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.942 7.503 3.099 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -15.889 9.557 3.987 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.933 9.777 2.597 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.913 9.488 4.140 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.791 9.488 5.486 1.00 0.00 H new ATOM 748 N ASP B 51 -15.078 8.261 1.922 1.00 0.00 N ATOM 749 CA ASP B 51 -14.079 8.000 0.902 1.00 0.00 C ATOM 750 C ASP B 51 -12.780 8.680 1.294 1.00 0.00 C ATOM 751 O ASP B 51 -12.733 9.900 1.442 1.00 0.00 O ATOM 752 CB ASP B 51 -14.516 8.530 -0.471 1.00 0.00 C ATOM 753 CG ASP B 51 -15.835 7.962 -0.967 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.903 8.510 -0.602 1.00 0.00 O ATOM 755 OD2 ASP B 51 -15.811 6.990 -1.748 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.013 9.188 2.342 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.949 6.920 0.828 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -14.597 9.616 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -13.738 8.303 -1.200 1.00 0.00 H new ATOM 760 N LYS B 52 -11.731 7.905 1.468 1.00 0.00 N ATOM 761 CA LYS B 52 -10.428 8.467 1.779 1.00 0.00 C ATOM 762 C LYS B 52 -9.460 8.084 0.676 1.00 0.00 C ATOM 763 O LYS B 52 -9.284 6.902 0.385 1.00 0.00 O ATOM 764 CB LYS B 52 -9.893 7.958 3.118 1.00 0.00 C ATOM 765 CG LYS B 52 -10.915 7.908 4.249 1.00 0.00 C ATOM 766 CD LYS B 52 -11.307 9.293 4.739 1.00 0.00 C ATOM 767 CE LYS B 52 -12.209 9.205 5.963 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.536 10.543 6.524 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.751 6.887 1.400 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.530 9.550 1.852 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.487 6.957 2.972 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.065 8.596 3.426 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.806 7.381 3.907 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -10.505 7.334 5.080 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.411 9.863 4.984 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -11.820 9.832 3.943 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -13.132 8.691 5.694 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.720 8.603 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.151 10.430 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.659 11.025 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.027 11.111 5.804 1.00 0.00 H new ATOM 782 N ASN B 53 -8.856 9.072 0.053 1.00 0.00 N ATOM 783 CA ASN B 53 -7.948 8.821 -1.053 1.00 0.00 C ATOM 784 C ASN B 53 -6.508 9.064 -0.642 1.00 0.00 C ATOM 785 O ASN B 53 -6.168 10.119 -0.107 1.00 0.00 O ATOM 786 CB ASN B 53 -8.310 9.674 -2.281 1.00 0.00 C ATOM 787 CG ASN B 53 -8.615 11.134 -1.967 1.00 0.00 C ATOM 788 OD1 ASN B 53 -8.109 11.707 -1.005 1.00 0.00 O ATOM 789 ND2 ASN B 53 -9.456 11.746 -2.784 1.00 0.00 N ATOM 0 H ASN B 53 -8.975 10.057 0.290 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.053 7.772 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.485 9.633 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.177 9.232 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -9.702 12.723 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -9.858 11.241 -3.574 1.00 0.00 H new ATOM 796 N TRP B 54 -5.664 8.080 -0.877 1.00 0.00 N ATOM 797 CA TRP B 54 -4.265 8.212 -0.574 1.00 0.00 C ATOM 798 C TRP B 54 -3.437 7.523 -1.645 1.00 0.00 C ATOM 799 O TRP B 54 -3.950 6.702 -2.408 1.00 0.00 O ATOM 800 CB TRP B 54 -3.958 7.654 0.818 1.00 0.00 C ATOM 801 CG TRP B 54 -4.078 6.169 0.946 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.223 5.442 1.096 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.998 5.233 0.963 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.919 4.106 1.199 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.557 3.953 1.118 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.610 5.356 0.857 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.772 2.802 1.171 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.836 4.216 0.908 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.417 2.954 1.063 1.00 0.00 C ATOM 0 H TRP B 54 -5.929 7.180 -1.278 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.001 9.269 -0.566 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.945 7.946 1.094 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.632 8.121 1.536 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.220 5.855 1.129 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.595 3.351 1.316 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.152 6.327 0.737 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.218 1.826 1.293 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.238 4.300 0.827 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.783 2.081 1.098 1.00 0.00 H new ATOM 820 N GLY B 55 -2.170 7.876 -1.713 1.00 0.00 N ATOM 821 CA GLY B 55 -1.313 7.339 -2.737 1.00 0.00 C ATOM 822 C GLY B 55 -0.110 6.647 -2.156 1.00 0.00 C ATOM 823 O GLY B 55 0.327 6.974 -1.051 1.00 0.00 O ATOM 0 H GLY B 55 -1.717 8.529 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.876 6.635 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -0.986 8.144 -3.396 1.00 0.00 H new ATOM 827 N ILE B 56 0.411 5.672 -2.876 1.00 0.00 N ATOM 828 CA ILE B 56 1.663 5.054 -2.501 1.00 0.00 C ATOM 829 C ILE B 56 2.765 5.595 -3.398 1.00 0.00 C ATOM 830 O ILE B 56 2.540 5.822 -4.590 1.00 0.00 O ATOM 831 CB ILE B 56 1.606 3.524 -2.629 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.283 2.987 -2.093 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.768 2.904 -1.868 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.021 1.584 -2.564 1.00 0.00 C ATOM 0 H ILE B 56 -0.014 5.293 -3.722 1.00 0.00 H new ATOM 0 HA ILE B 56 1.863 5.292 -1.456 1.00 0.00 H new ATOM 0 HB ILE B 56 1.681 3.258 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.307 3.001 -1.003 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.524 3.651 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.726 1.819 -1.960 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.709 3.267 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.703 3.182 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.975 1.259 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.076 1.569 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.768 0.910 -2.231 1.00 0.00 H new ATOM 846 N PHE B 57 3.938 5.831 -2.832 1.00 0.00 N ATOM 847 CA PHE B 57 5.014 6.464 -3.582 1.00 0.00 C ATOM 848 C PHE B 57 6.270 5.600 -3.636 1.00 0.00 C ATOM 849 O PHE B 57 6.619 4.948 -2.656 1.00 0.00 O ATOM 850 CB PHE B 57 5.287 7.834 -2.960 1.00 0.00 C ATOM 851 CG PHE B 57 4.015 8.627 -2.874 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.554 9.316 -3.978 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.237 8.608 -1.732 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.347 9.983 -3.946 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.024 9.261 -1.698 1.00 0.00 C ATOM 856 CZ PHE B 57 1.577 9.948 -2.805 1.00 0.00 C ATOM 0 H PHE B 57 4.169 5.597 -1.866 1.00 0.00 H new ATOM 0 HA PHE B 57 4.706 6.587 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.715 7.711 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.021 8.374 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.147 9.333 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.583 8.076 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.007 10.531 -4.813 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.423 9.234 -0.801 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.625 10.458 -2.778 1.00 0.00 H new ATOM 866 N VAL B 58 6.939 5.590 -4.799 1.00 0.00 N ATOM 867 CA VAL B 58 8.170 4.845 -4.968 1.00 0.00 C ATOM 868 C VAL B 58 9.195 5.760 -5.617 1.00 0.00 C ATOM 869 O VAL B 58 8.837 6.585 -6.455 1.00 0.00 O ATOM 870 CB VAL B 58 7.960 3.568 -5.811 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.645 3.900 -7.263 1.00 0.00 C ATOM 872 CG2 VAL B 58 9.173 2.656 -5.712 1.00 0.00 C ATOM 0 H VAL B 58 6.637 6.095 -5.632 1.00 0.00 H new ATOM 0 HA VAL B 58 8.525 4.515 -3.992 1.00 0.00 H new ATOM 0 HB VAL B 58 7.098 3.040 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.504 2.977 -7.825 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.734 4.497 -7.310 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.471 4.465 -7.695 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.006 1.762 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL B 58 10.054 3.181 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.330 2.370 -4.672 1.00 0.00 H new ATOM 882 N ASN B 59 10.459 5.640 -5.201 1.00 0.00 N ATOM 883 CA ASN B 59 11.512 6.605 -5.559 1.00 0.00 C ATOM 884 C ASN B 59 11.231 7.928 -4.865 1.00 0.00 C ATOM 885 O ASN B 59 12.004 8.880 -4.966 1.00 0.00 O ATOM 886 CB ASN B 59 11.592 6.867 -7.070 1.00 0.00 C ATOM 887 CG ASN B 59 11.658 5.614 -7.910 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.734 5.105 -8.215 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.495 5.134 -8.305 1.00 0.00 N ATOM 0 H ASN B 59 10.784 4.876 -4.609 1.00 0.00 H new ATOM 0 HA ASN B 59 12.461 6.173 -5.241 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.722 7.450 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.472 7.477 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.460 4.301 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.630 5.596 -8.023 1.00 0.00 H new ATOM 896 N GLY B 60 10.114 7.976 -4.154 1.00 0.00 N ATOM 897 CA GLY B 60 9.633 9.219 -3.624 1.00 0.00 C ATOM 898 C GLY B 60 8.580 9.831 -4.529 1.00 0.00 C ATOM 899 O GLY B 60 8.014 10.883 -4.234 1.00 0.00 O ATOM 0 H GLY B 60 9.534 7.165 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.213 9.056 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.465 9.914 -3.508 1.00 0.00 H new ATOM 903 N GLU B 61 8.328 9.144 -5.635 1.00 0.00 N ATOM 904 CA GLU B 61 7.338 9.540 -6.623 1.00 0.00 C ATOM 905 C GLU B 61 6.092 8.728 -6.412 1.00 0.00 C ATOM 906 O GLU B 61 6.127 7.795 -5.660 1.00 0.00 O ATOM 907 CB GLU B 61 7.858 9.239 -8.014 1.00 0.00 C ATOM 908 CG GLU B 61 8.611 10.382 -8.661 1.00 0.00 C ATOM 909 CD GLU B 61 9.068 10.043 -10.061 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.165 9.465 -10.209 1.00 0.00 O ATOM 911 OE2 GLU B 61 8.331 10.350 -11.022 1.00 0.00 O1- ATOM 0 H GLU B 61 8.816 8.280 -5.873 1.00 0.00 H new ATOM 0 HA GLU B 61 7.133 10.606 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.514 8.370 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU B 61 7.017 8.967 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.972 11.264 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.477 10.637 -8.050 1.00 0.00 H new ATOM 918 N LYS B 62 5.013 9.031 -7.092 1.00 0.00 N ATOM 919 CA LYS B 62 3.828 8.196 -6.988 1.00 0.00 C ATOM 920 C LYS B 62 4.100 6.830 -7.601 1.00 0.00 C ATOM 921 O LYS B 62 5.161 6.590 -8.184 1.00 0.00 O ATOM 922 CB LYS B 62 2.635 8.886 -7.650 1.00 0.00 C ATOM 923 CG LYS B 62 1.341 8.714 -6.864 1.00 0.00 C ATOM 924 CD LYS B 62 0.269 9.712 -7.282 1.00 0.00 C ATOM 925 CE LYS B 62 0.662 11.159 -6.998 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.307 12.122 -7.585 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.924 9.834 -7.715 1.00 0.00 H new ATOM 0 HA LYS B 62 3.580 8.048 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.850 9.949 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.501 8.484 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.965 7.701 -7.006 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.547 8.831 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.069 9.598 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.658 9.483 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.721 11.314 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.656 11.351 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.004 13.094 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.345 11.991 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.250 11.956 -7.180 1.00 0.00 H new ATOM 940 N VAL B 63 3.196 5.911 -7.358 1.00 0.00 N ATOM 941 CA VAL B 63 3.217 4.627 -8.027 1.00 0.00 C ATOM 942 C VAL B 63 1.796 4.116 -8.195 1.00 0.00 C ATOM 943 O VAL B 63 1.525 3.277 -9.054 1.00 0.00 O ATOM 944 CB VAL B 63 4.070 3.579 -7.262 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.406 3.157 -5.960 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.355 2.368 -8.140 1.00 0.00 C ATOM 0 H VAL B 63 2.429 6.028 -6.696 1.00 0.00 H new ATOM 0 HA VAL B 63 3.680 4.771 -9.003 1.00 0.00 H new ATOM 0 HB VAL B 63 5.019 4.052 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.033 2.423 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.277 4.029 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.432 2.716 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.954 1.648 -7.583 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.414 1.905 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.901 2.684 -9.029 1.00 0.00 H new ATOM 956 N TYR B 64 0.878 4.646 -7.388 1.00 0.00 N ATOM 957 CA TYR B 64 -0.490 4.151 -7.405 1.00 0.00 C ATOM 958 C TYR B 64 -1.436 5.055 -6.614 1.00 0.00 C ATOM 959 O TYR B 64 -1.050 5.649 -5.606 1.00 0.00 O ATOM 960 CB TYR B 64 -0.508 2.731 -6.837 1.00 0.00 C ATOM 961 CG TYR B 64 -1.790 1.973 -7.072 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.544 2.160 -8.228 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.241 1.060 -6.137 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.713 1.460 -8.435 1.00 0.00 C ATOM 965 CE2 TYR B 64 -3.405 0.359 -6.338 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.142 0.561 -7.487 1.00 0.00 C ATOM 967 OH TYR B 64 -5.312 -0.135 -7.686 1.00 0.00 O ATOM 0 H TYR B 64 1.055 5.403 -6.728 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.845 4.148 -8.436 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.316 2.169 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.324 2.781 -5.764 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.207 2.865 -8.974 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.670 0.896 -5.235 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.288 1.616 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.743 -0.350 -5.597 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.582 -0.060 -8.625 1.00 0.00 H new ATOM 977 N THR B 65 -2.674 5.144 -7.094 1.00 0.00 N ATOM 978 CA THR B 65 -3.723 5.932 -6.455 1.00 0.00 C ATOM 979 C THR B 65 -4.996 5.089 -6.291 1.00 0.00 C ATOM 980 O THR B 65 -5.402 4.394 -7.225 1.00 0.00 O ATOM 981 CB THR B 65 -4.035 7.184 -7.304 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.896 8.059 -7.327 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.249 7.929 -6.772 1.00 0.00 C ATOM 0 H THR B 65 -2.979 4.668 -7.943 1.00 0.00 H new ATOM 0 HA THR B 65 -3.374 6.243 -5.470 1.00 0.00 H new ATOM 0 HB THR B 65 -4.260 6.853 -8.318 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.102 8.849 -7.869 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.440 8.804 -7.393 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.118 7.272 -6.795 1.00 0.00 H new ATOM 0 HG23 THR B 65 -5.061 8.246 -5.746 1.00 0.00 H new ATOM 991 N PHE B 66 -5.611 5.138 -5.103 1.00 0.00 N ATOM 992 CA PHE B 66 -6.817 4.392 -4.821 1.00 0.00 C ATOM 993 C PHE B 66 -7.463 4.914 -3.554 1.00 0.00 C ATOM 994 O PHE B 66 -6.809 5.493 -2.686 1.00 0.00 O ATOM 995 CB PHE B 66 -6.521 2.904 -4.704 1.00 0.00 C ATOM 996 CG PHE B 66 -5.510 2.514 -3.670 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.168 2.802 -3.826 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.915 1.805 -2.560 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.249 2.395 -2.883 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.005 1.382 -1.614 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.666 1.680 -1.776 1.00 0.00 C ATOM 0 H PHE B 66 -5.277 5.699 -4.319 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.512 4.527 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.454 2.385 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.176 2.545 -5.674 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.836 3.351 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.962 1.577 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.203 2.635 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.337 0.822 -0.753 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.946 1.355 -1.039 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.757 4.737 -3.497 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.559 5.173 -2.365 1.00 0.00 C ATOM 1013 C ASN B 67 -9.834 3.995 -1.441 1.00 0.00 C ATOM 1014 O ASN B 67 -9.738 2.844 -1.866 1.00 0.00 O ATOM 1015 CB ASN B 67 -10.884 5.774 -2.858 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.703 6.408 -1.750 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.465 5.736 -1.054 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.572 7.712 -1.592 1.00 0.00 N ATOM 0 H ASN B 67 -9.295 4.284 -4.236 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.009 5.936 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.674 6.524 -3.620 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.475 4.992 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.112 8.196 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.931 8.236 -2.187 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.179 4.270 -0.192 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.494 3.214 0.755 1.00 0.00 C ATOM 1027 C GLU B 68 -11.690 2.409 0.258 1.00 0.00 C ATOM 1028 O GLU B 68 -11.573 1.230 -0.074 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.811 3.813 2.126 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.651 4.564 2.759 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.610 3.653 3.372 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.757 3.303 4.561 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.627 3.301 2.691 1.00 0.00 O ATOM 0 H GLU B 68 -10.248 5.214 0.188 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.630 2.556 0.846 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.658 4.492 2.027 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.121 3.012 2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.176 5.189 2.003 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.037 5.232 3.529 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.827 3.084 0.151 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.092 2.453 -0.204 1.00 0.00 C ATOM 1042 C LYS B 69 -14.087 1.916 -1.631 1.00 0.00 C ATOM 1043 O LYS B 69 -15.039 1.271 -2.070 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.213 3.456 -0.065 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.570 2.795 0.102 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.650 3.783 0.517 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.886 4.850 -0.542 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.318 4.265 -1.840 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.898 4.089 0.309 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.238 1.612 0.474 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.017 4.098 0.794 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.232 4.099 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.857 2.320 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.497 2.006 0.850 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.580 3.246 0.704 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.364 4.260 1.454 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.645 5.548 -0.189 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -16.970 5.422 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.677 5.020 -2.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -17.509 3.798 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.071 3.567 -1.673 1.00 0.00 H new ATOM 1062 N SER B 70 -13.013 2.190 -2.345 1.00 0.00 N ATOM 1063 CA SER B 70 -12.794 1.625 -3.662 1.00 0.00 C ATOM 1064 C SER B 70 -12.543 0.117 -3.544 1.00 0.00 C ATOM 1065 O SER B 70 -12.376 -0.585 -4.540 1.00 0.00 O ATOM 1066 CB SER B 70 -11.617 2.359 -4.305 1.00 0.00 C ATOM 1067 OG SER B 70 -10.894 1.547 -5.217 1.00 0.00 O ATOM 0 H SER B 70 -12.268 2.810 -2.029 1.00 0.00 H new ATOM 0 HA SER B 70 -13.672 1.753 -4.296 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.987 3.242 -4.826 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.942 2.709 -3.524 1.00 0.00 H new ATOM 0 HG SER B 70 -11.397 0.724 -5.392 1.00 0.00 H new ATOM 1073 N THR B 71 -12.511 -0.340 -2.289 1.00 0.00 N ATOM 1074 CA THR B 71 -12.409 -1.737 -1.907 1.00 0.00 C ATOM 1075 C THR B 71 -11.105 -2.358 -2.397 1.00 0.00 C ATOM 1076 O THR B 71 -10.952 -2.706 -3.567 1.00 0.00 O ATOM 1077 CB THR B 71 -13.640 -2.555 -2.358 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.691 -2.706 -3.783 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.925 -1.897 -1.881 1.00 0.00 C ATOM 0 H THR B 71 -12.558 0.285 -1.484 1.00 0.00 H new ATOM 0 HA THR B 71 -12.394 -1.769 -0.818 1.00 0.00 H new ATOM 0 HB THR B 71 -13.543 -3.544 -1.910 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.944 -2.220 -4.190 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.780 -2.488 -2.209 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.921 -1.837 -0.793 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.997 -0.893 -2.299 1.00 0.00 H new ATOM 1087 N VAL B 72 -10.164 -2.514 -1.469 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.787 -2.850 -1.814 1.00 0.00 C ATOM 1089 C VAL B 72 -8.642 -4.247 -2.413 1.00 0.00 C ATOM 1090 O VAL B 72 -7.552 -4.630 -2.821 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.839 -2.734 -0.605 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -8.024 -1.403 0.102 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -8.045 -3.908 0.340 1.00 0.00 C ATOM 0 H VAL B 72 -10.332 -2.412 -0.468 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.506 -2.117 -2.570 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.810 -2.769 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -7.344 -1.345 0.952 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.809 -0.590 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -9.052 -1.318 0.454 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -7.369 -3.814 1.190 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -9.076 -3.913 0.695 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.838 -4.840 -0.187 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.727 -5.006 -2.465 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.662 -6.327 -3.056 1.00 0.00 C ATOM 1105 C GLY B 73 -9.318 -6.258 -4.531 1.00 0.00 C ATOM 1106 O GLY B 73 -8.419 -6.954 -5.010 1.00 0.00 O ATOM 0 H GLY B 73 -10.644 -4.734 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.914 -6.924 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.619 -6.832 -2.928 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.019 -5.390 -5.248 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.773 -5.190 -6.672 1.00 0.00 C ATOM 1112 C ASN B 74 -8.549 -4.306 -6.864 1.00 0.00 C ATOM 1113 O ASN B 74 -7.872 -4.360 -7.889 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.992 -4.546 -7.339 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.221 -5.409 -7.269 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.156 -6.636 -7.330 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.355 -4.763 -7.108 1.00 0.00 N ATOM 0 H ASN B 74 -10.766 -4.810 -4.866 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.593 -6.159 -7.137 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.199 -3.589 -6.860 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.760 -4.337 -8.383 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.230 -5.281 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.360 -3.744 -7.063 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.281 -3.486 -5.862 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.105 -2.628 -5.854 1.00 0.00 C ATOM 1126 C ILE B 75 -5.841 -3.467 -5.774 1.00 0.00 C ATOM 1127 O ILE B 75 -4.868 -3.236 -6.488 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.134 -1.693 -4.640 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.470 -0.956 -4.566 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.977 -0.726 -4.687 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.540 0.059 -3.450 1.00 0.00 C ATOM 0 H ILE B 75 -8.869 -3.395 -5.033 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.111 -2.045 -6.775 1.00 0.00 H new ATOM 0 HB ILE B 75 -7.030 -2.292 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.651 -0.452 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.270 -1.684 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.015 -0.071 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.039 -1.281 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.040 -0.127 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.517 0.543 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.391 -0.441 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.762 0.809 -3.591 1.00 0.00 H new ATOM 1143 N SER B 76 -5.888 -4.444 -4.884 1.00 0.00 N ATOM 1144 CA SER B 76 -4.779 -5.367 -4.656 1.00 0.00 C ATOM 1145 C SER B 76 -4.350 -6.013 -5.966 1.00 0.00 C ATOM 1146 O SER B 76 -3.165 -6.245 -6.197 1.00 0.00 O ATOM 1147 CB SER B 76 -5.186 -6.442 -3.641 1.00 0.00 C ATOM 1148 OG SER B 76 -4.094 -7.286 -3.308 1.00 0.00 O ATOM 0 H SER B 76 -6.700 -4.624 -4.293 1.00 0.00 H new ATOM 0 HA SER B 76 -3.935 -4.807 -4.253 1.00 0.00 H new ATOM 0 HB2 SER B 76 -5.567 -5.965 -2.738 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.998 -7.042 -4.051 1.00 0.00 H new ATOM 0 HG SER B 76 -4.387 -7.959 -2.658 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.331 -6.289 -6.817 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.080 -6.795 -8.167 1.00 0.00 C ATOM 1156 C ASN B 77 -4.050 -5.932 -8.877 1.00 0.00 C ATOM 1157 O ASN B 77 -3.028 -6.414 -9.371 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.367 -6.754 -8.973 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.244 -7.441 -10.323 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -5.475 -8.388 -10.488 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.003 -6.969 -11.300 1.00 0.00 N ATOM 0 H ASN B 77 -6.319 -6.170 -6.595 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.710 -7.817 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.163 -7.230 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -6.661 -5.716 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.962 -7.392 -12.227 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.628 -6.182 -11.125 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.349 -4.645 -8.915 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.474 -3.663 -9.550 1.00 0.00 C ATOM 1170 C ASP B 78 -2.139 -3.579 -8.828 1.00 0.00 C ATOM 1171 O ASP B 78 -1.085 -3.611 -9.453 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.121 -2.279 -9.569 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.270 -2.173 -10.547 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.022 -2.207 -11.767 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.428 -2.046 -10.100 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.198 -4.249 -8.511 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.309 -3.993 -10.576 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.481 -2.039 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.366 -1.535 -9.823 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.194 -3.471 -7.511 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.995 -3.405 -6.688 1.00 0.00 C ATOM 1182 C ILE B 79 -0.071 -4.590 -6.951 1.00 0.00 C ATOM 1183 O ILE B 79 1.151 -4.449 -6.980 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.394 -3.342 -5.207 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.218 -2.093 -5.004 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.180 -3.366 -4.288 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.613 -1.824 -3.577 1.00 0.00 C ATOM 0 H ILE B 79 -3.066 -3.427 -6.983 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.443 -2.503 -6.950 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.980 -4.224 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.655 -1.238 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -3.122 -2.168 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.509 -3.320 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.381 -4.286 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.458 -2.509 -4.505 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.202 -0.908 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -3.207 -2.657 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.717 -1.712 -2.966 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.664 -5.749 -7.173 1.00 0.00 N ATOM 1200 CA ASN B 80 0.104 -6.941 -7.515 1.00 0.00 C ATOM 1201 C ASN B 80 0.819 -6.769 -8.851 1.00 0.00 C ATOM 1202 O ASN B 80 1.992 -7.115 -8.980 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.792 -8.182 -7.566 1.00 0.00 C ATOM 1204 CG ASN B 80 -1.034 -8.806 -6.203 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -1.211 -10.016 -6.090 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.056 -7.995 -5.156 1.00 0.00 N ATOM 0 H ASN B 80 -1.672 -5.894 -7.124 1.00 0.00 H new ATOM 0 HA ASN B 80 0.850 -7.080 -6.732 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.750 -7.911 -8.009 1.00 0.00 H new ATOM 0 HB3 ASN B 80 -0.336 -8.924 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.224 -8.371 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -0.905 -6.994 -5.283 1.00 0.00 H new ATOM 1213 N LYS B 81 0.125 -6.214 -9.840 1.00 0.00 N ATOM 1214 CA LYS B 81 0.699 -6.088 -11.175 1.00 0.00 C ATOM 1215 C LYS B 81 1.717 -4.948 -11.230 1.00 0.00 C ATOM 1216 O LYS B 81 2.699 -5.027 -11.961 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.392 -5.897 -12.240 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.972 -4.499 -12.311 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.980 -4.376 -13.439 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.548 -2.970 -13.531 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.546 -2.846 -14.626 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.823 -5.849 -9.745 1.00 0.00 H new ATOM 0 HA LYS B 81 1.220 -7.020 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.023 -6.153 -13.215 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -1.200 -6.601 -12.042 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.452 -4.254 -11.364 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.169 -3.777 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.504 -4.639 -14.383 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.791 -5.087 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.015 -2.704 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.737 -2.261 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.910 -1.872 -14.656 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.095 -3.075 -15.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.333 -3.504 -14.455 1.00 0.00 H new ATOM 1235 N LEU B 82 1.505 -3.909 -10.424 1.00 0.00 N ATOM 1236 CA LEU B 82 2.410 -2.768 -10.379 1.00 0.00 C ATOM 1237 C LEU B 82 3.784 -3.213 -9.935 1.00 0.00 C ATOM 1238 O LEU B 82 4.791 -2.607 -10.302 1.00 0.00 O ATOM 1239 CB LEU B 82 1.895 -1.731 -9.385 1.00 0.00 C ATOM 1240 CG LEU B 82 1.182 -0.523 -9.980 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.119 0.266 -10.882 1.00 0.00 C ATOM 1242 CD2 LEU B 82 -0.070 -0.936 -10.738 1.00 0.00 C ATOM 0 H LEU B 82 0.709 -3.837 -9.791 1.00 0.00 H new ATOM 0 HA LEU B 82 2.464 -2.333 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU B 82 1.211 -2.227 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU B 82 2.739 -1.374 -8.795 1.00 0.00 H new ATOM 0 HG LEU B 82 0.875 0.120 -9.155 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.589 1.124 -11.296 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.975 0.613 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.466 -0.373 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.555 -0.051 -11.150 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.202 -1.611 -11.549 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.756 -1.443 -10.059 1.00 0.00 H new ATOM 1254 N ASN B 83 3.795 -4.302 -9.185 1.00 0.00 N ATOM 1255 CA ASN B 83 4.988 -4.803 -8.524 1.00 0.00 C ATOM 1256 C ASN B 83 5.813 -3.651 -7.942 1.00 0.00 C ATOM 1257 O ASN B 83 6.861 -3.287 -8.483 1.00 0.00 O ATOM 1258 CB ASN B 83 5.830 -5.626 -9.498 1.00 0.00 C ATOM 1259 CG ASN B 83 6.880 -6.464 -8.795 1.00 0.00 C ATOM 1260 OD1 ASN B 83 6.661 -6.944 -7.681 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.023 -6.648 -9.437 1.00 0.00 N ATOM 0 H ASN B 83 2.965 -4.870 -9.016 1.00 0.00 H new ATOM 0 HA ASN B 83 4.678 -5.448 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN B 83 5.176 -6.279 -10.076 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.319 -4.957 -10.206 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.763 -7.205 -9.011 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.163 -6.233 -10.358 1.00 0.00 H new ATOM 1268 N ILE B 84 5.301 -3.055 -6.865 1.00 0.00 N ATOM 1269 CA ILE B 84 5.934 -1.916 -6.225 1.00 0.00 C ATOM 1270 C ILE B 84 7.354 -2.251 -5.804 1.00 0.00 C ATOM 1271 O ILE B 84 7.611 -3.328 -5.279 1.00 0.00 O ATOM 1272 CB ILE B 84 5.135 -1.468 -4.984 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.741 -1.007 -5.389 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.855 -0.348 -4.240 1.00 0.00 C ATOM 1275 CD1 ILE B 84 2.802 -2.114 -5.809 1.00 0.00 C ATOM 0 H ILE B 84 4.435 -3.353 -6.416 1.00 0.00 H new ATOM 0 HA ILE B 84 5.955 -1.105 -6.953 1.00 0.00 H new ATOM 0 HB ILE B 84 5.049 -2.325 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.295 -0.469 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.833 -0.297 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.268 -0.053 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.835 -0.698 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.978 0.509 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE B 84 1.835 -1.688 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.220 -2.639 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE B 84 2.673 -2.814 -4.984 1.00 0.00 H new ATOM 1287 N LYS B 85 8.262 -1.323 -6.042 1.00 0.00 N ATOM 1288 CA LYS B 85 9.673 -1.533 -5.744 1.00 0.00 C ATOM 1289 C LYS B 85 10.017 -1.074 -4.337 1.00 0.00 C ATOM 1290 O LYS B 85 9.140 -0.750 -3.540 1.00 0.00 O ATOM 1291 CB LYS B 85 10.528 -0.774 -6.746 1.00 0.00 C ATOM 1292 CG LYS B 85 10.106 -0.997 -8.181 1.00 0.00 C ATOM 1293 CD LYS B 85 10.227 -2.456 -8.590 1.00 0.00 C ATOM 1294 CE LYS B 85 9.618 -2.706 -9.962 1.00 0.00 C ATOM 1295 NZ LYS B 85 10.236 -1.859 -11.013 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.049 -0.410 -6.443 1.00 0.00 H new ATOM 0 HA LYS B 85 9.876 -2.602 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.479 0.292 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.568 -1.077 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS B 85 9.075 -0.668 -8.311 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.721 -0.384 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.278 -2.746 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS B 85 9.730 -3.084 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS B 85 9.740 -3.756 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS B 85 8.547 -2.510 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 9.863 -2.134 -11.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 10.011 -0.860 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 11.268 -1.989 -11.001 1.00 0.00 H new ATOM 1309 N GLY B 86 11.309 -1.022 -4.054 1.00 0.00 N ATOM 1310 CA GLY B 86 11.761 -0.677 -2.724 1.00 0.00 C ATOM 1311 C GLY B 86 12.924 0.291 -2.747 1.00 0.00 C ATOM 1312 O GLY B 86 14.015 -0.047 -3.208 1.00 0.00 O ATOM 0 H GLY B 86 12.054 -1.213 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.935 -0.237 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.056 -1.584 -2.196 1.00 0.00 H new ATOM 1316 N MET B 87 12.682 1.502 -2.251 1.00 0.00 N ATOM 1317 CA MET B 87 13.708 2.541 -2.171 1.00 0.00 C ATOM 1318 C MET B 87 13.236 3.696 -1.289 1.00 0.00 C ATOM 1319 O MET B 87 13.658 3.802 -0.140 1.00 0.00 O ATOM 1320 CB MET B 87 14.134 3.027 -3.567 1.00 0.00 C ATOM 1321 CG MET B 87 13.056 2.916 -4.636 1.00 0.00 C ATOM 1322 SD MET B 87 13.713 3.112 -6.299 1.00 0.00 S ATOM 1323 CE MET B 87 14.845 1.726 -6.388 1.00 0.00 C ATOM 0 H MET B 87 11.771 1.791 -1.894 1.00 0.00 H new ATOM 0 HA MET B 87 14.593 2.105 -1.707 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.448 4.068 -3.494 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.004 2.453 -3.887 1.00 0.00 H new ATOM 0 HG2 MET B 87 12.566 1.946 -4.554 1.00 0.00 H new ATOM 0 HG3 MET B 87 12.293 3.674 -4.458 1.00 0.00 H new ATOM 0 HE1 MET B 87 14.946 1.405 -7.425 1.00 0.00 H new ATOM 0 HE2 MET B 87 15.820 2.027 -6.005 1.00 0.00 H new ATOM 0 HE3 MET B 87 14.459 0.902 -5.789 1.00 0.00 H new ATOM 1333 N TYR B 88 12.370 4.562 -1.805 1.00 0.00 N ATOM 1334 CA TYR B 88 11.737 5.561 -0.970 1.00 0.00 C ATOM 1335 C TYR B 88 10.229 5.439 -1.110 1.00 0.00 C ATOM 1336 O TYR B 88 9.617 6.058 -1.980 1.00 0.00 O ATOM 1337 CB TYR B 88 12.198 6.972 -1.335 1.00 0.00 C ATOM 1338 CG TYR B 88 11.916 7.983 -0.244 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.680 8.608 -0.148 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.883 8.298 0.702 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.416 9.517 0.857 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.627 9.209 1.709 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.391 9.815 1.783 1.00 0.00 C ATOM 1344 OH TYR B 88 11.129 10.718 2.787 1.00 0.00 O ATOM 0 H TYR B 88 12.096 4.588 -2.787 1.00 0.00 H new ATOM 0 HA TYR B 88 12.027 5.387 0.066 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.268 6.957 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.700 7.286 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.912 8.379 -0.872 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.851 7.823 0.650 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.448 9.993 0.917 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.391 9.445 2.434 1.00 0.00 H new ATOM 0 HH TYR B 88 11.921 10.814 3.356 1.00 0.00 H new ATOM 1354 N ILE B 89 9.651 4.594 -0.276 1.00 0.00 N ATOM 1355 CA ILE B 89 8.219 4.354 -0.289 1.00 0.00 C ATOM 1356 C ILE B 89 7.523 5.260 0.716 1.00 0.00 C ATOM 1357 O ILE B 89 7.970 5.388 1.859 1.00 0.00 O ATOM 1358 CB ILE B 89 7.895 2.882 0.049 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.728 1.933 -0.811 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.407 2.599 -0.134 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.513 2.113 -2.291 1.00 0.00 C ATOM 0 H ILE B 89 10.158 4.056 0.427 1.00 0.00 H new ATOM 0 HA ILE B 89 7.858 4.572 -1.294 1.00 0.00 H new ATOM 0 HB ILE B 89 8.151 2.712 1.095 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.784 2.084 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.487 0.905 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.202 1.556 0.110 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.830 3.246 0.526 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.125 2.792 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.137 1.406 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.465 1.933 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.781 3.130 -2.577 1.00 0.00 H new ATOM 1373 N GLU B 90 6.442 5.891 0.294 1.00 0.00 N ATOM 1374 CA GLU B 90 5.668 6.746 1.182 1.00 0.00 C ATOM 1375 C GLU B 90 4.209 6.338 1.219 1.00 0.00 C ATOM 1376 O GLU B 90 3.693 5.732 0.279 1.00 0.00 O ATOM 1377 CB GLU B 90 5.757 8.208 0.767 1.00 0.00 C ATOM 1378 CG GLU B 90 6.983 8.931 1.295 1.00 0.00 C ATOM 1379 CD GLU B 90 6.922 10.423 1.054 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.246 11.129 1.833 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.537 10.901 0.082 1.00 0.00 O ATOM 0 H GLU B 90 6.079 5.829 -0.657 1.00 0.00 H new ATOM 0 HA GLU B 90 6.099 6.626 2.176 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.756 8.266 -0.321 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.864 8.728 1.115 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.080 8.742 2.364 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.875 8.525 0.817 1.00 0.00 H new ATOM 1388 N ILE B 91 3.560 6.690 2.319 1.00 0.00 N ATOM 1389 CA ILE B 91 2.140 6.461 2.500 1.00 0.00 C ATOM 1390 C ILE B 91 1.478 7.742 2.986 1.00 0.00 C ATOM 1391 O ILE B 91 1.811 8.237 4.066 1.00 0.00 O ATOM 1392 CB ILE B 91 1.881 5.374 3.557 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.526 4.054 3.150 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.388 5.190 3.803 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.458 3.009 4.233 1.00 0.00 C ATOM 0 H ILE B 91 4.009 7.145 3.114 1.00 0.00 H new ATOM 0 HA ILE B 91 1.731 6.142 1.541 1.00 0.00 H new ATOM 0 HB ILE B 91 2.338 5.703 4.490 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.032 3.675 2.255 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.569 4.231 2.888 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.236 4.415 4.555 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.041 6.128 4.156 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.100 4.895 2.874 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.933 2.092 3.884 1.00 0.00 H new ATOM 0 HD12 ILE B 91 2.976 3.371 5.121 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.415 2.807 4.478 1.00 0.00 H new ATOM 1407 N LYS B 92 0.552 8.279 2.211 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.105 9.528 2.581 1.00 0.00 C ATOM 1409 C LYS B 92 -1.266 9.852 1.658 1.00 0.00 C ATOM 1410 O LYS B 92 -1.304 9.417 0.505 1.00 0.00 O ATOM 1411 CB LYS B 92 0.905 10.675 2.559 1.00 0.00 C ATOM 1412 CG LYS B 92 1.662 10.777 1.253 1.00 0.00 C ATOM 1413 CD LYS B 92 2.865 11.690 1.393 1.00 0.00 C ATOM 1414 CE LYS B 92 3.565 11.913 0.062 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.718 12.839 0.201 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.237 7.877 1.328 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.503 9.404 3.588 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.383 11.614 2.743 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.616 10.540 3.374 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.988 9.785 0.939 1.00 0.00 H new ATOM 0 HG3 LYS B 92 1.001 11.157 0.474 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.547 12.649 1.801 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.568 11.258 2.105 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.910 10.958 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.856 12.319 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.120 13.036 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.398 13.729 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.444 12.402 0.804 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.211 10.613 2.192 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.349 11.094 1.438 1.00 0.00 C ATOM 1431 C GLN B 93 -2.891 12.040 0.339 1.00 0.00 C ATOM 1432 O GLN B 93 -1.881 12.736 0.474 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.364 11.789 2.360 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.837 13.038 3.062 1.00 0.00 C ATOM 1435 CD GLN B 93 -2.777 12.745 4.098 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.776 11.691 4.738 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -1.854 13.670 4.252 1.00 0.00 N ATOM 0 H GLN B 93 -2.205 10.913 3.167 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.842 10.237 0.978 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.241 12.062 1.773 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.695 11.077 3.116 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.426 13.718 2.316 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.669 13.554 3.541 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -1.894 14.527 3.701 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.098 13.530 4.922 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.638 12.051 -0.740 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.270 12.780 -1.936 1.00 0.00 C ATOM 1448 C ILE B 94 -4.191 13.972 -2.163 1.00 0.00 C ATOM 1449 O ILE B 94 -3.728 15.119 -2.000 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.307 11.838 -3.150 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.505 10.893 -3.026 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.011 11.051 -3.232 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.661 9.937 -4.184 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.382 13.761 -2.473 1.00 0.00 O ATOM 0 H ILE B 94 -4.524 11.552 -0.815 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.258 13.163 -1.806 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.413 12.423 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.406 10.318 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.414 11.487 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.044 10.385 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.173 11.740 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.885 10.462 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.532 9.303 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.794 10.502 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.770 9.315 -4.264 1.00 0.00 H new