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 76 SER OG : rot 120:sc= -0.0725 USER MOD Set 1.2: B 80 ASN : amide:sc= -1.08 K(o=-1.2,f=-0.36) USER MOD Set 2.1: B 42 ASN : amide:sc= 0.909 K(o=1.7,f=-0.77) USER MOD Set 2.2: B 74 ASN : amide:sc= 0.802 K(o=1.7,f=-2) USER MOD Set 3.1: B 32 ASN : amide:sc= -1.29! K(o=-2.1!,f=0.96) USER MOD Set 3.2: B 35 GLN : amide:sc= -0.797 K(o=-2.1,f=0.96) USER MOD Set 4.1: B 11 ASN : amide:sc= -0.0225 K(o=0.69,f=-0.1) USER MOD Set 4.2: B 14 ASN : amide:sc= 0.985 K(o=0.69,f=-3.1!) USER MOD Set 4.3: B 31 MET CE :methyl -165:sc= -0.27 (180deg=-0.712) USER MOD Single : B 10 MET CE :methyl -126:sc= -0.11 (180deg=-1.07) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot -101:sc= 1.29 USER MOD Single : B 17 ASN : amide:sc= -9.61! C(o=-9.6!,f=-2.7!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -1.99! C(o=-2!,f=-4.5!) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ -173:sc= -1.05 (180deg=-1.15) 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 30 SER OG : rot 180:sc= 0 USER MOD Single : B 34 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.09) USER MOD Single : B 37 LYS NZ :NH3+ 143:sc= -1.49 (180deg=-3.44!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 37:sc= 0.705 USER MOD Single : B 41 SER OG : rot -18:sc= 0.745 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= -0.0495 USER MOD Single : B 52 LYS NZ :NH3+ 177:sc= 0.99 (180deg=0.923) USER MOD Single : B 53 ASN : amide:sc= -0.653 K(o=-0.65,f=-4.2!) USER MOD Single : B 59 ASN : amide:sc= -3.61! K(o=-3.6!,f=-2.5) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot -70:sc= -1.13 USER MOD Single : B 65 THR OG1 : rot -171:sc= -1.29 USER MOD Single : B 67 ASN : amide:sc= 0.0274 K(o=0.027,f=-11!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.2 USER MOD Single : B 71 THR OG1 : rot 3:sc= 1.02 USER MOD Single : B 77 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.94) USER MOD Single : B 81 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.07) USER MOD Single : B 83 ASN : amide:sc= 0.0532 X(o=0.053,f=0) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl -155:sc= -0.0573 (180deg=-0.451) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 172:sc= 1.32 (180deg=1.1) USER MOD Single : B 93 GLN : amide:sc= -0.865 X(o=-0.87,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.931 -1.952 5.062 1.00 0.00 N ATOM 145 CA MET B 10 10.776 -1.235 4.518 1.00 0.00 C ATOM 146 C MET B 10 9.468 -1.652 5.227 1.00 0.00 C ATOM 147 O MET B 10 8.375 -1.219 4.873 1.00 0.00 O ATOM 148 CB MET B 10 10.736 -1.482 3.002 1.00 0.00 C ATOM 149 CG MET B 10 9.737 -0.641 2.217 1.00 0.00 C ATOM 150 SD MET B 10 8.271 -1.568 1.728 1.00 0.00 S ATOM 151 CE MET B 10 8.987 -2.774 0.612 1.00 0.00 C ATOM 0 HA MET B 10 10.873 -0.165 4.700 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.732 -1.300 2.597 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.509 -2.534 2.831 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.435 0.214 2.822 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.224 -0.245 1.326 1.00 0.00 H new ATOM 0 HE1 MET B 10 8.469 -2.736 -0.346 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.043 -2.549 0.462 1.00 0.00 H new ATOM 0 HE3 MET B 10 8.885 -3.771 1.040 1.00 0.00 H new ATOM 161 N ASN B 11 9.613 -2.458 6.276 1.00 0.00 N ATOM 162 CA ASN B 11 8.496 -3.023 7.011 1.00 0.00 C ATOM 163 C ASN B 11 7.613 -1.958 7.657 1.00 0.00 C ATOM 164 O ASN B 11 6.386 -2.031 7.580 1.00 0.00 O ATOM 165 CB ASN B 11 9.013 -3.992 8.081 1.00 0.00 C ATOM 166 CG ASN B 11 7.902 -4.589 8.927 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.303 -5.598 8.562 1.00 0.00 O ATOM 168 ND2 ASN B 11 7.638 -3.988 10.076 1.00 0.00 N ATOM 0 H ASN B 11 10.524 -2.738 6.640 1.00 0.00 H new ATOM 0 HA ASN B 11 7.876 -3.556 6.290 1.00 0.00 H new ATOM 0 HB2 ASN B 11 9.567 -4.797 7.597 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.715 -3.468 8.730 1.00 0.00 H new ATOM 0 HD21 ASN B 11 6.916 -4.361 10.692 1.00 0.00 H new ATOM 0 HD22 ASN B 11 8.157 -3.152 10.345 1.00 0.00 H new ATOM 175 N SER B 12 8.235 -0.954 8.263 1.00 0.00 N ATOM 176 CA SER B 12 7.502 0.034 9.039 1.00 0.00 C ATOM 177 C SER B 12 6.655 0.904 8.124 1.00 0.00 C ATOM 178 O SER B 12 5.743 1.600 8.570 1.00 0.00 O ATOM 179 CB SER B 12 8.476 0.898 9.840 1.00 0.00 C ATOM 180 OG SER B 12 9.415 0.090 10.532 1.00 0.00 O ATOM 0 H SER B 12 9.243 -0.804 8.231 1.00 0.00 H new ATOM 0 HA SER B 12 6.840 -0.485 9.732 1.00 0.00 H new ATOM 0 HB2 SER B 12 9.000 1.580 9.170 1.00 0.00 H new ATOM 0 HB3 SER B 12 7.924 1.512 10.551 1.00 0.00 H new ATOM 0 HG SER B 12 10.030 0.662 11.037 1.00 0.00 H new ATOM 186 N ILE B 13 6.955 0.849 6.839 1.00 0.00 N ATOM 187 CA ILE B 13 6.216 1.606 5.855 1.00 0.00 C ATOM 188 C ILE B 13 4.859 0.963 5.598 1.00 0.00 C ATOM 189 O ILE B 13 3.827 1.632 5.554 1.00 0.00 O ATOM 190 CB ILE B 13 6.986 1.694 4.540 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.432 2.091 4.841 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.307 2.693 3.609 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.067 2.923 3.762 1.00 0.00 C ATOM 0 H ILE B 13 7.711 0.283 6.454 1.00 0.00 H new ATOM 0 HA ILE B 13 6.074 2.612 6.250 1.00 0.00 H new ATOM 0 HB ILE B 13 6.991 0.728 4.035 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.459 2.646 5.779 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.025 1.188 4.987 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.861 2.752 2.672 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.287 2.367 3.408 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.288 3.675 4.081 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.091 3.166 4.045 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.072 2.363 2.827 1.00 0.00 H new ATOM 0 HD13 ILE B 13 8.499 3.844 3.631 1.00 0.00 H new ATOM 205 N ASN B 14 4.879 -0.357 5.480 1.00 0.00 N ATOM 206 CA ASN B 14 3.695 -1.138 5.129 1.00 0.00 C ATOM 207 C ASN B 14 2.696 -1.189 6.262 1.00 0.00 C ATOM 208 O ASN B 14 1.561 -1.595 6.061 1.00 0.00 O ATOM 209 CB ASN B 14 4.088 -2.561 4.797 1.00 0.00 C ATOM 210 CG ASN B 14 4.926 -2.665 3.543 1.00 0.00 C ATOM 211 OD1 ASN B 14 4.398 -2.832 2.447 1.00 0.00 O ATOM 212 ND2 ASN B 14 6.234 -2.569 3.692 1.00 0.00 N ATOM 0 H ASN B 14 5.717 -0.920 5.625 1.00 0.00 H new ATOM 0 HA ASN B 14 3.239 -0.647 4.269 1.00 0.00 H new ATOM 0 HB2 ASN B 14 4.643 -2.984 5.634 1.00 0.00 H new ATOM 0 HB3 ASN B 14 3.187 -3.162 4.676 1.00 0.00 H new ATOM 0 HD21 ASN B 14 6.846 -2.633 2.879 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.633 -2.430 4.621 1.00 0.00 H new ATOM 219 N SER B 15 3.136 -0.813 7.452 1.00 0.00 N ATOM 220 CA SER B 15 2.283 -0.820 8.629 1.00 0.00 C ATOM 221 C SER B 15 0.949 -0.143 8.337 1.00 0.00 C ATOM 222 O SER B 15 -0.101 -0.632 8.732 1.00 0.00 O ATOM 223 CB SER B 15 2.985 -0.116 9.794 1.00 0.00 C ATOM 224 OG SER B 15 3.305 1.228 9.467 1.00 0.00 O ATOM 0 H SER B 15 4.089 -0.496 7.629 1.00 0.00 H new ATOM 0 HA SER B 15 2.089 -1.857 8.904 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.342 -0.135 10.674 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.896 -0.656 10.053 1.00 0.00 H new ATOM 0 HG SER B 15 4.255 1.291 9.235 1.00 0.00 H new ATOM 230 N VAL B 16 1.006 0.955 7.593 1.00 0.00 N ATOM 231 CA VAL B 16 -0.191 1.715 7.249 1.00 0.00 C ATOM 232 C VAL B 16 -1.053 0.924 6.276 1.00 0.00 C ATOM 233 O VAL B 16 -2.276 0.893 6.384 1.00 0.00 O ATOM 234 CB VAL B 16 0.165 3.077 6.625 1.00 0.00 C ATOM 235 CG1 VAL B 16 -1.091 3.885 6.326 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.104 3.853 7.534 1.00 0.00 C ATOM 0 H VAL B 16 1.871 1.341 7.215 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.744 1.893 8.171 1.00 0.00 H new ATOM 0 HB VAL B 16 0.678 2.894 5.681 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -0.812 4.842 5.886 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -1.720 3.334 5.627 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -1.641 4.058 7.251 1.00 0.00 H new ATOM 0 HG21 VAL B 16 1.344 4.812 7.076 1.00 0.00 H new ATOM 0 HG22 VAL B 16 0.622 4.021 8.497 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.021 3.282 7.682 1.00 0.00 H new ATOM 246 N ASN B 17 -0.388 0.273 5.338 1.00 0.00 N ATOM 247 CA ASN B 17 -1.048 -0.591 4.369 1.00 0.00 C ATOM 248 C ASN B 17 -1.684 -1.789 5.074 1.00 0.00 C ATOM 249 O ASN B 17 -2.765 -2.243 4.712 1.00 0.00 O ATOM 250 CB ASN B 17 -0.025 -1.051 3.335 1.00 0.00 C ATOM 251 CG ASN B 17 -0.588 -2.041 2.340 1.00 0.00 C ATOM 252 OD1 ASN B 17 -1.148 -1.667 1.311 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.425 -3.316 2.638 1.00 0.00 N ATOM 0 H ASN B 17 0.624 0.327 5.225 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.842 -0.039 3.866 1.00 0.00 H new ATOM 0 HB2 ASN B 17 0.355 -0.182 2.798 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.823 -1.504 3.849 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.770 -4.036 2.003 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.046 -3.581 3.503 1.00 0.00 H new ATOM 260 N ASP B 18 -0.999 -2.286 6.093 1.00 0.00 N ATOM 261 CA ASP B 18 -1.513 -3.353 6.940 1.00 0.00 C ATOM 262 C ASP B 18 -2.710 -2.858 7.746 1.00 0.00 C ATOM 263 O ASP B 18 -3.600 -3.633 8.096 1.00 0.00 O ATOM 264 CB ASP B 18 -0.413 -3.830 7.885 1.00 0.00 C ATOM 265 CG ASP B 18 0.034 -5.249 7.605 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.750 -6.186 7.862 1.00 0.00 O ATOM 267 OD2 ASP B 18 1.181 -5.440 7.149 1.00 0.00 O1- ATOM 0 H ASP B 18 -0.069 -1.960 6.357 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.835 -4.182 6.310 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.444 -3.162 7.802 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.771 -3.764 8.913 1.00 0.00 H new ATOM 272 N LYS B 19 -2.725 -1.558 8.045 1.00 0.00 N ATOM 273 CA LYS B 19 -3.859 -0.950 8.752 1.00 0.00 C ATOM 274 C LYS B 19 -5.072 -0.819 7.845 1.00 0.00 C ATOM 275 O LYS B 19 -6.181 -0.534 8.300 1.00 0.00 O ATOM 276 CB LYS B 19 -3.501 0.423 9.326 1.00 0.00 C ATOM 277 CG LYS B 19 -2.321 0.401 10.275 1.00 0.00 C ATOM 278 CD LYS B 19 -2.339 -0.838 11.148 1.00 0.00 C ATOM 279 CE LYS B 19 -3.580 -0.896 12.022 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.562 -2.072 12.925 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.973 -0.909 7.812 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.104 -1.618 9.578 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -3.281 1.104 8.504 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -4.369 0.825 9.849 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.393 0.433 9.705 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.340 1.291 10.903 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -2.296 -1.727 10.518 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -1.450 -0.851 11.778 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.651 0.016 12.614 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.468 -0.936 11.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.425 -2.077 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.520 -2.944 12.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.728 -2.021 13.545 1.00 0.00 H new ATOM 294 N LEU B 20 -4.851 -1.031 6.566 1.00 0.00 N ATOM 295 CA LEU B 20 -5.931 -1.012 5.583 1.00 0.00 C ATOM 296 C LEU B 20 -6.662 -2.343 5.613 1.00 0.00 C ATOM 297 O LEU B 20 -7.792 -2.470 5.143 1.00 0.00 O ATOM 298 CB LEU B 20 -5.392 -0.774 4.178 1.00 0.00 C ATOM 299 CG LEU B 20 -4.455 0.416 4.028 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.887 0.459 2.618 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.174 1.714 4.361 1.00 0.00 C ATOM 0 H LEU B 20 -3.929 -1.220 6.173 1.00 0.00 H new ATOM 0 HA LEU B 20 -6.610 -0.198 5.838 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -4.866 -1.672 3.853 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -6.236 -0.637 3.502 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.630 0.301 4.731 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.218 1.314 2.521 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -3.334 -0.459 2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.702 0.553 1.900 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.485 2.551 4.247 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.019 1.845 3.686 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.533 1.677 5.389 1.00 0.00 H new ATOM 313 N ASN B 21 -5.993 -3.329 6.176 1.00 0.00 N ATOM 314 CA ASN B 21 -6.503 -4.685 6.233 1.00 0.00 C ATOM 315 C ASN B 21 -7.267 -4.901 7.538 1.00 0.00 C ATOM 316 O ASN B 21 -6.923 -5.759 8.351 1.00 0.00 O ATOM 317 CB ASN B 21 -5.328 -5.659 6.109 1.00 0.00 C ATOM 318 CG ASN B 21 -5.751 -7.104 5.964 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.819 -7.411 5.432 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.901 -8.004 6.428 1.00 0.00 N ATOM 0 H ASN B 21 -5.077 -3.212 6.609 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.196 -4.862 5.411 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.724 -5.378 5.247 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.692 -5.562 6.989 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.119 -8.998 6.353 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.027 -7.705 6.861 1.00 0.00 H new ATOM 327 N LYS B 22 -8.292 -4.082 7.745 1.00 0.00 N ATOM 328 CA LYS B 22 -9.137 -4.182 8.928 1.00 0.00 C ATOM 329 C LYS B 22 -10.598 -4.366 8.527 1.00 0.00 C ATOM 330 O LYS B 22 -11.053 -5.489 8.312 1.00 0.00 O ATOM 331 CB LYS B 22 -8.985 -2.940 9.806 1.00 0.00 C ATOM 332 CG LYS B 22 -7.622 -2.817 10.471 1.00 0.00 C ATOM 333 CD LYS B 22 -7.523 -1.551 11.310 1.00 0.00 C ATOM 334 CE LYS B 22 -8.655 -1.456 12.322 1.00 0.00 C ATOM 335 NZ LYS B 22 -8.598 -2.541 13.338 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.559 -3.336 7.103 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.819 -5.053 9.501 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -9.163 -2.053 9.198 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.755 -2.956 10.578 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -7.444 -3.688 11.102 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.843 -2.811 9.708 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.566 -1.534 11.832 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.545 -0.679 10.657 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.611 -0.489 12.824 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -9.611 -1.500 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -9.389 -2.434 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -8.667 -3.464 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -7.698 -2.484 13.856 1.00 0.00 H new ATOM 349 N GLY B 23 -11.319 -3.257 8.404 1.00 0.00 N ATOM 350 CA GLY B 23 -12.701 -3.308 7.970 1.00 0.00 C ATOM 351 C GLY B 23 -12.832 -2.985 6.503 1.00 0.00 C ATOM 352 O GLY B 23 -13.797 -2.348 6.081 1.00 0.00 O ATOM 0 H GLY B 23 -10.968 -2.319 8.599 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -13.108 -4.301 8.163 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -13.293 -2.603 8.553 1.00 0.00 H new ATOM 356 N LYS B 24 -11.837 -3.399 5.729 1.00 0.00 N ATOM 357 CA LYS B 24 -11.838 -3.192 4.297 1.00 0.00 C ATOM 358 C LYS B 24 -11.457 -4.484 3.601 1.00 0.00 C ATOM 359 O LYS B 24 -11.488 -5.556 4.204 1.00 0.00 O ATOM 360 CB LYS B 24 -10.852 -2.097 3.900 1.00 0.00 C ATOM 361 CG LYS B 24 -10.866 -0.907 4.840 1.00 0.00 C ATOM 362 CD LYS B 24 -9.610 -0.061 4.728 1.00 0.00 C ATOM 363 CE LYS B 24 -9.615 0.817 3.491 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.351 1.587 3.372 1.00 0.00 N1+ ATOM 0 H LYS B 24 -11.012 -3.885 6.080 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.839 -2.883 3.996 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.846 -2.516 3.871 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.085 -1.757 2.891 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -11.737 -0.288 4.624 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.972 -1.260 5.866 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -9.516 0.566 5.615 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -8.737 -0.713 4.705 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -9.752 0.199 2.604 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -10.460 1.505 3.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.430 2.264 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.174 2.103 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.563 0.934 3.189 1.00 0.00 H new ATOM 378 N GLY B 25 -11.110 -4.380 2.331 1.00 0.00 N ATOM 379 CA GLY B 25 -10.698 -5.551 1.588 1.00 0.00 C ATOM 380 C GLY B 25 -9.422 -6.135 2.159 1.00 0.00 C ATOM 381 O GLY B 25 -8.561 -5.396 2.634 1.00 0.00 O ATOM 0 H GLY B 25 -11.106 -3.509 1.801 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.489 -6.300 1.615 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.545 -5.287 0.542 1.00 0.00 H new ATOM 385 N LYS B 26 -9.301 -7.452 2.124 1.00 0.00 N ATOM 386 CA LYS B 26 -8.185 -8.132 2.731 1.00 0.00 C ATOM 387 C LYS B 26 -6.982 -8.070 1.810 1.00 0.00 C ATOM 388 O LYS B 26 -7.113 -8.257 0.601 1.00 0.00 O ATOM 389 CB LYS B 26 -8.582 -9.577 3.027 1.00 0.00 C ATOM 390 CG LYS B 26 -7.458 -10.567 2.846 1.00 0.00 C ATOM 391 CD LYS B 26 -7.917 -11.994 3.097 1.00 0.00 C ATOM 392 CE LYS B 26 -8.802 -12.506 1.972 1.00 0.00 C ATOM 393 NZ LYS B 26 -9.397 -13.829 2.289 1.00 0.00 N1+ ATOM 0 H LYS B 26 -9.975 -8.072 1.674 1.00 0.00 H new ATOM 0 HA LYS B 26 -7.914 -7.646 3.668 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -8.948 -9.641 4.052 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.409 -9.857 2.375 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -7.061 -10.485 1.834 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -6.644 -10.322 3.528 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -7.047 -12.643 3.200 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -8.463 -12.040 4.039 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.599 -11.787 1.782 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -8.216 -12.582 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.993 -14.141 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.638 -14.523 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.978 -13.752 3.148 1.00 0.00 H new ATOM 407 N LEU B 27 -5.827 -7.790 2.378 1.00 0.00 N ATOM 408 CA LEU B 27 -4.620 -7.661 1.619 1.00 0.00 C ATOM 409 C LEU B 27 -3.410 -7.979 2.506 1.00 0.00 C ATOM 410 O LEU B 27 -3.055 -7.204 3.393 1.00 0.00 O ATOM 411 CB LEU B 27 -4.552 -6.245 1.062 1.00 0.00 C ATOM 412 CG LEU B 27 -3.189 -5.840 0.569 1.00 0.00 C ATOM 413 CD1 LEU B 27 -2.809 -6.626 -0.677 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.127 -4.341 0.318 1.00 0.00 C ATOM 0 H LEU B 27 -5.708 -7.647 3.381 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.609 -8.367 0.789 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.264 -6.155 0.242 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -4.868 -5.546 1.837 1.00 0.00 H new ATOM 0 HG LEU B 27 -2.461 -6.076 1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -1.820 -6.316 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.796 -7.691 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -3.538 -6.435 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.132 -4.072 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.867 -4.067 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.337 -3.808 1.245 1.00 0.00 H new ATOM 426 N SER B 28 -2.798 -9.131 2.268 1.00 0.00 N ATOM 427 CA SER B 28 -1.682 -9.602 3.078 1.00 0.00 C ATOM 428 C SER B 28 -0.373 -9.562 2.292 1.00 0.00 C ATOM 429 O SER B 28 -0.135 -10.404 1.425 1.00 0.00 O ATOM 430 CB SER B 28 -1.961 -11.027 3.546 1.00 0.00 C ATOM 431 OG SER B 28 -3.119 -11.079 4.365 1.00 0.00 O ATOM 0 H SER B 28 -3.059 -9.763 1.511 1.00 0.00 H new ATOM 0 HA SER B 28 -1.579 -8.942 3.940 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.094 -11.677 2.681 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.102 -11.405 4.101 1.00 0.00 H new ATOM 0 HG SER B 28 -3.277 -12.003 4.650 1.00 0.00 H new ATOM 437 N LEU B 29 0.462 -8.571 2.582 1.00 0.00 N ATOM 438 CA LEU B 29 1.722 -8.390 1.871 1.00 0.00 C ATOM 439 C LEU B 29 2.829 -9.288 2.408 1.00 0.00 C ATOM 440 O LEU B 29 2.791 -9.756 3.548 1.00 0.00 O ATOM 441 CB LEU B 29 2.227 -6.935 1.953 1.00 0.00 C ATOM 442 CG LEU B 29 1.208 -5.852 2.288 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.037 -6.003 1.435 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.893 -5.831 3.785 1.00 0.00 C ATOM 0 H LEU B 29 0.288 -7.877 3.309 1.00 0.00 H new ATOM 0 HA LEU B 29 1.502 -8.656 0.837 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.018 -6.896 2.702 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.682 -6.683 0.995 1.00 0.00 H new ATOM 0 HG LEU B 29 1.644 -4.882 2.049 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.751 -5.220 1.691 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.231 -5.920 0.382 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.488 -6.978 1.618 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.163 -5.048 3.992 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.485 -6.796 4.084 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.806 -5.634 4.346 1.00 0.00 H new ATOM 456 N SER B 30 3.801 -9.526 1.549 1.00 0.00 N ATOM 457 CA SER B 30 5.084 -10.061 1.915 1.00 0.00 C ATOM 458 C SER B 30 6.150 -9.164 1.293 1.00 0.00 C ATOM 459 O SER B 30 5.962 -8.650 0.187 1.00 0.00 O ATOM 460 CB SER B 30 5.222 -11.481 1.421 1.00 0.00 C ATOM 461 OG SER B 30 4.224 -12.322 1.977 1.00 0.00 O ATOM 0 H SER B 30 3.710 -9.345 0.549 1.00 0.00 H new ATOM 0 HA SER B 30 5.196 -10.082 2.999 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.150 -11.498 0.334 1.00 0.00 H new ATOM 0 HB3 SER B 30 6.209 -11.864 1.681 1.00 0.00 H new ATOM 0 HG SER B 30 4.338 -13.234 1.637 1.00 0.00 H new ATOM 467 N MET B 31 7.253 -8.962 1.982 1.00 0.00 N ATOM 468 CA MET B 31 8.190 -7.917 1.587 1.00 0.00 C ATOM 469 C MET B 31 9.490 -8.499 1.061 1.00 0.00 C ATOM 470 O MET B 31 10.126 -9.324 1.716 1.00 0.00 O ATOM 471 CB MET B 31 8.482 -7.000 2.772 1.00 0.00 C ATOM 472 CG MET B 31 7.229 -6.522 3.487 1.00 0.00 C ATOM 473 SD MET B 31 7.597 -5.576 4.974 1.00 0.00 S ATOM 474 CE MET B 31 5.957 -5.427 5.678 1.00 0.00 C ATOM 0 H MET B 31 7.526 -9.496 2.807 1.00 0.00 H new ATOM 0 HA MET B 31 7.726 -7.345 0.784 1.00 0.00 H new ATOM 0 HB2 MET B 31 9.118 -7.528 3.483 1.00 0.00 H new ATOM 0 HB3 MET B 31 9.045 -6.134 2.422 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.639 -5.907 2.807 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.615 -7.383 3.752 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.960 -4.655 6.448 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.248 -5.156 4.895 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.663 -6.379 6.120 1.00 0.00 H new ATOM 484 N ASN B 32 9.881 -8.060 -0.124 1.00 0.00 N ATOM 485 CA ASN B 32 11.153 -8.464 -0.698 1.00 0.00 C ATOM 486 C ASN B 32 11.841 -7.257 -1.326 1.00 0.00 C ATOM 487 O ASN B 32 12.127 -7.248 -2.522 1.00 0.00 O ATOM 488 CB ASN B 32 10.948 -9.567 -1.746 1.00 0.00 C ATOM 489 CG ASN B 32 12.258 -10.169 -2.230 1.00 0.00 C ATOM 490 OD1 ASN B 32 12.382 -10.567 -3.389 1.00 0.00 O ATOM 491 ND2 ASN B 32 13.243 -10.254 -1.347 1.00 0.00 N ATOM 0 H ASN B 32 9.336 -7.424 -0.707 1.00 0.00 H new ATOM 0 HA ASN B 32 11.786 -8.862 0.095 1.00 0.00 H new ATOM 0 HB2 ASN B 32 10.326 -10.355 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN B 32 10.405 -9.157 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN B 32 14.139 -10.659 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN B 32 13.105 -9.914 -0.395 1.00 0.00 H new ATOM 498 N GLY B 33 12.099 -6.250 -0.491 1.00 0.00 N ATOM 499 CA GLY B 33 12.785 -5.033 -0.912 1.00 0.00 C ATOM 500 C GLY B 33 12.237 -4.427 -2.187 1.00 0.00 C ATOM 501 O GLY B 33 11.277 -3.660 -2.157 1.00 0.00 O ATOM 0 H GLY B 33 11.838 -6.257 0.495 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.717 -4.295 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.843 -5.255 -1.053 1.00 0.00 H new ATOM 505 N ASN B 34 12.847 -4.794 -3.305 1.00 0.00 N ATOM 506 CA ASN B 34 12.491 -4.251 -4.606 1.00 0.00 C ATOM 507 C ASN B 34 11.244 -4.927 -5.166 1.00 0.00 C ATOM 508 O ASN B 34 10.861 -4.684 -6.309 1.00 0.00 O ATOM 509 CB ASN B 34 13.662 -4.409 -5.584 1.00 0.00 C ATOM 510 CG ASN B 34 13.974 -5.862 -5.905 1.00 0.00 C ATOM 511 OD1 ASN B 34 13.472 -6.416 -6.885 1.00 0.00 O ATOM 512 ND2 ASN B 34 14.810 -6.486 -5.089 1.00 0.00 N ATOM 0 H ASN B 34 13.603 -5.478 -3.334 1.00 0.00 H new ATOM 0 HA ASN B 34 12.271 -3.191 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.430 -3.880 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.549 -3.937 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN B 34 15.059 -7.460 -5.261 1.00 0.00 H new ATOM 0 HD22 ASN B 34 15.205 -5.993 -4.288 1.00 0.00 H new ATOM 519 N GLN B 35 10.632 -5.800 -4.374 1.00 0.00 N ATOM 520 CA GLN B 35 9.354 -6.383 -4.736 1.00 0.00 C ATOM 521 C GLN B 35 8.364 -6.262 -3.604 1.00 0.00 C ATOM 522 O GLN B 35 8.711 -6.385 -2.425 1.00 0.00 O ATOM 523 CB GLN B 35 9.478 -7.852 -5.102 1.00 0.00 C ATOM 524 CG GLN B 35 10.513 -8.111 -6.166 1.00 0.00 C ATOM 525 CD GLN B 35 10.601 -9.572 -6.560 1.00 0.00 C ATOM 526 OE1 GLN B 35 10.889 -9.900 -7.708 1.00 0.00 O ATOM 527 NE2 GLN B 35 10.376 -10.461 -5.605 1.00 0.00 N ATOM 0 H GLN B 35 11.003 -6.117 -3.478 1.00 0.00 H new ATOM 0 HA GLN B 35 9.003 -5.827 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN B 35 9.733 -8.422 -4.209 1.00 0.00 H new ATOM 0 HB3 GLN B 35 8.511 -8.217 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN B 35 10.277 -7.516 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN B 35 11.487 -7.777 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.139 -10.149 -4.663 1.00 0.00 H new ATOM 0 HE22 GLN B 35 10.439 -11.458 -5.811 1.00 0.00 H new ATOM 536 N LEU B 36 7.129 -6.056 -3.985 1.00 0.00 N ATOM 537 CA LEU B 36 6.032 -6.009 -3.040 1.00 0.00 C ATOM 538 C LEU B 36 5.069 -7.130 -3.377 1.00 0.00 C ATOM 539 O LEU B 36 4.330 -7.069 -4.360 1.00 0.00 O ATOM 540 CB LEU B 36 5.324 -4.656 -3.086 1.00 0.00 C ATOM 541 CG LEU B 36 4.577 -4.233 -1.809 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.378 -5.132 -1.540 1.00 0.00 C ATOM 543 CD2 LEU B 36 5.517 -4.232 -0.613 1.00 0.00 C ATOM 0 H LEU B 36 6.851 -5.916 -4.956 1.00 0.00 H new ATOM 0 HA LEU B 36 6.414 -6.136 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU B 36 6.064 -3.890 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.611 -4.671 -3.910 1.00 0.00 H new ATOM 0 HG LEU B 36 4.207 -3.220 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.874 -4.804 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.685 -5.075 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU B 36 3.715 -6.161 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.969 -3.930 0.280 1.00 0.00 H new ATOM 0 HD22 LEU B 36 5.923 -5.233 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU B 36 6.333 -3.532 -0.792 1.00 0.00 H new ATOM 555 N LYS B 37 5.107 -8.153 -2.565 1.00 0.00 N ATOM 556 CA LYS B 37 4.323 -9.348 -2.788 1.00 0.00 C ATOM 557 C LYS B 37 3.095 -9.271 -1.895 1.00 0.00 C ATOM 558 O LYS B 37 3.152 -8.626 -0.853 1.00 0.00 O ATOM 559 CB LYS B 37 5.170 -10.582 -2.450 1.00 0.00 C ATOM 560 CG LYS B 37 6.654 -10.427 -2.785 1.00 0.00 C ATOM 561 CD LYS B 37 6.930 -10.329 -4.282 1.00 0.00 C ATOM 562 CE LYS B 37 6.873 -11.685 -4.988 1.00 0.00 C ATOM 563 NZ LYS B 37 5.504 -12.262 -5.034 1.00 0.00 N1+ ATOM 0 H LYS B 37 5.684 -8.185 -1.725 1.00 0.00 H new ATOM 0 HA LYS B 37 4.013 -9.427 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS B 37 5.069 -10.800 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS B 37 4.774 -11.442 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS B 37 7.039 -9.534 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS B 37 7.202 -11.276 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS B 37 6.202 -9.657 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.914 -9.886 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS B 37 7.248 -11.574 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS B 37 7.537 -12.382 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.363 -12.750 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 5.387 -12.941 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 4.803 -11.500 -4.938 1.00 0.00 H new ATOM 577 N ALA B 38 1.992 -9.892 -2.284 1.00 0.00 N ATOM 578 CA ALA B 38 0.770 -9.801 -1.493 1.00 0.00 C ATOM 579 C ALA B 38 -0.329 -10.714 -2.013 1.00 0.00 C ATOM 580 O ALA B 38 -0.251 -11.232 -3.127 1.00 0.00 O ATOM 581 CB ALA B 38 0.268 -8.364 -1.476 1.00 0.00 C ATOM 0 H ALA B 38 1.915 -10.457 -3.130 1.00 0.00 H new ATOM 0 HA ALA B 38 1.018 -10.126 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -0.645 -8.304 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA B 38 1.028 -7.718 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA B 38 0.060 -8.039 -2.496 1.00 0.00 H new ATOM 587 N THR B 39 -1.331 -10.929 -1.174 1.00 0.00 N ATOM 588 CA THR B 39 -2.566 -11.570 -1.579 1.00 0.00 C ATOM 589 C THR B 39 -3.743 -10.705 -1.151 1.00 0.00 C ATOM 590 O THR B 39 -3.720 -10.122 -0.066 1.00 0.00 O ATOM 591 CB THR B 39 -2.702 -12.964 -0.951 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.233 -12.936 0.406 1.00 0.00 O ATOM 593 CG2 THR B 39 -1.930 -14.006 -1.743 1.00 0.00 C ATOM 0 H THR B 39 -1.307 -10.662 -0.190 1.00 0.00 H new ATOM 0 HA THR B 39 -2.555 -11.685 -2.663 1.00 0.00 H new ATOM 0 HB THR B 39 -3.756 -13.240 -0.968 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.324 -13.828 0.802 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.047 -14.982 -1.272 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.314 -14.047 -2.762 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.874 -13.738 -1.764 1.00 0.00 H new ATOM 601 N SER B 40 -4.765 -10.610 -1.984 1.00 0.00 N ATOM 602 CA SER B 40 -5.877 -9.721 -1.690 1.00 0.00 C ATOM 603 C SER B 40 -7.205 -10.326 -2.115 1.00 0.00 C ATOM 604 O SER B 40 -7.279 -11.078 -3.087 1.00 0.00 O ATOM 605 CB SER B 40 -5.670 -8.369 -2.373 1.00 0.00 C ATOM 606 OG SER B 40 -6.649 -7.428 -1.967 1.00 0.00 O ATOM 0 H SER B 40 -4.849 -11.129 -2.858 1.00 0.00 H new ATOM 0 HA SER B 40 -5.908 -9.575 -0.610 1.00 0.00 H new ATOM 0 HB2 SER B 40 -4.677 -7.988 -2.135 1.00 0.00 H new ATOM 0 HB3 SER B 40 -5.712 -8.496 -3.455 1.00 0.00 H new ATOM 0 HG SER B 40 -6.857 -7.561 -1.019 1.00 0.00 H new ATOM 612 N SER B 41 -8.247 -9.998 -1.360 1.00 0.00 N ATOM 613 CA SER B 41 -9.599 -10.471 -1.638 1.00 0.00 C ATOM 614 C SER B 41 -10.628 -9.572 -0.966 1.00 0.00 C ATOM 615 O SER B 41 -10.292 -8.734 -0.127 1.00 0.00 O ATOM 616 CB SER B 41 -9.783 -11.914 -1.169 1.00 0.00 C ATOM 617 OG SER B 41 -8.810 -12.774 -1.736 1.00 0.00 O ATOM 0 H SER B 41 -8.179 -9.397 -0.538 1.00 0.00 H new ATOM 0 HA SER B 41 -9.749 -10.437 -2.717 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.717 -11.955 -0.082 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.780 -12.262 -1.441 1.00 0.00 H new ATOM 0 HG SER B 41 -8.408 -12.342 -2.519 1.00 0.00 H new ATOM 623 N ASN B 42 -11.884 -9.775 -1.322 1.00 0.00 N ATOM 624 CA ASN B 42 -12.976 -8.957 -0.823 1.00 0.00 C ATOM 625 C ASN B 42 -13.562 -9.578 0.429 1.00 0.00 C ATOM 626 O ASN B 42 -14.776 -9.736 0.560 1.00 0.00 O ATOM 627 CB ASN B 42 -14.059 -8.780 -1.889 1.00 0.00 C ATOM 628 CG ASN B 42 -13.622 -7.858 -3.008 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.810 -6.643 -2.936 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.036 -8.426 -4.051 1.00 0.00 N ATOM 0 H ASN B 42 -12.176 -10.511 -1.965 1.00 0.00 H new ATOM 0 HA ASN B 42 -12.582 -7.971 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.319 -9.754 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -14.961 -8.381 -1.424 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.721 -7.853 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -12.899 -9.437 -4.071 1.00 0.00 H new ATOM 637 N ALA B 43 -12.671 -9.922 1.348 1.00 0.00 N ATOM 638 CA ALA B 43 -13.035 -10.536 2.631 1.00 0.00 C ATOM 639 C ALA B 43 -13.770 -9.576 3.566 1.00 0.00 C ATOM 640 O ALA B 43 -13.778 -9.773 4.780 1.00 0.00 O ATOM 641 CB ALA B 43 -11.791 -11.047 3.328 1.00 0.00 C ATOM 0 H ALA B 43 -11.667 -9.785 1.230 1.00 0.00 H new ATOM 0 HA ALA B 43 -13.716 -11.356 2.402 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -12.068 -11.501 4.279 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.301 -11.791 2.699 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -11.108 -10.217 3.508 1.00 0.00 H new ATOM 647 N GLY B 44 -14.373 -8.543 3.015 1.00 0.00 N ATOM 648 CA GLY B 44 -15.089 -7.592 3.829 1.00 0.00 C ATOM 649 C GLY B 44 -15.314 -6.288 3.108 1.00 0.00 C ATOM 650 O GLY B 44 -16.451 -5.921 2.844 1.00 0.00 O ATOM 0 H GLY B 44 -14.380 -8.344 2.015 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.050 -8.016 4.121 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -14.530 -7.407 4.747 1.00 0.00 H new ATOM 654 N TYR B 45 -14.211 -5.615 2.786 1.00 0.00 N ATOM 655 CA TYR B 45 -14.213 -4.321 2.092 1.00 0.00 C ATOM 656 C TYR B 45 -14.736 -3.191 2.991 1.00 0.00 C ATOM 657 O TYR B 45 -15.357 -3.445 4.017 1.00 0.00 O ATOM 658 CB TYR B 45 -14.923 -4.436 0.729 1.00 0.00 C ATOM 659 CG TYR B 45 -16.204 -3.624 0.517 1.00 0.00 C ATOM 660 CD1 TYR B 45 -17.250 -3.642 1.434 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.364 -2.850 -0.627 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.402 -2.916 1.225 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.517 -2.121 -0.844 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.531 -2.158 0.085 1.00 0.00 C ATOM 665 OH TYR B 45 -19.683 -1.437 -0.126 1.00 0.00 O ATOM 0 H TYR B 45 -13.274 -5.956 3.002 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.184 -4.038 1.869 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.211 -4.146 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -15.162 -5.487 0.564 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -17.157 -4.238 2.330 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.571 -2.818 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -19.200 -2.942 1.953 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -17.622 -1.525 -1.738 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.616 -0.954 -0.976 1.00 0.00 H new ATOM 675 N GLY B 46 -14.435 -1.946 2.608 1.00 0.00 N ATOM 676 CA GLY B 46 -14.618 -0.809 3.493 1.00 0.00 C ATOM 677 C GLY B 46 -16.061 -0.560 3.889 1.00 0.00 C ATOM 678 O GLY B 46 -16.886 -0.202 3.049 1.00 0.00 O ATOM 0 H GLY B 46 -14.064 -1.708 1.688 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.026 -0.965 4.395 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.227 0.084 3.006 1.00 0.00 H new ATOM 682 N ILE B 47 -16.362 -0.753 5.169 1.00 0.00 N ATOM 683 CA ILE B 47 -17.703 -0.503 5.691 1.00 0.00 C ATOM 684 C ILE B 47 -17.790 0.892 6.301 1.00 0.00 C ATOM 685 O ILE B 47 -18.484 1.774 5.787 1.00 0.00 O ATOM 686 CB ILE B 47 -18.099 -1.518 6.785 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.658 -2.932 6.411 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.602 -1.477 7.031 1.00 0.00 C ATOM 689 CD1 ILE B 47 -18.233 -3.439 5.108 1.00 0.00 C ATOM 0 H ILE B 47 -15.694 -1.082 5.866 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.384 -0.600 4.845 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.586 -1.238 7.705 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.570 -2.956 6.348 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.946 -3.614 7.211 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.864 -2.199 7.805 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.891 -0.477 7.355 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.128 -1.726 6.110 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -17.869 -4.449 4.918 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -19.321 -3.451 5.171 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -17.924 -2.783 4.294 1.00 0.00 H new ATOM 701 N SER B 48 -17.076 1.069 7.406 1.00 0.00 N ATOM 702 CA SER B 48 -17.095 2.308 8.174 1.00 0.00 C ATOM 703 C SER B 48 -16.470 3.468 7.406 1.00 0.00 C ATOM 704 O SER B 48 -17.063 4.543 7.275 1.00 0.00 O ATOM 705 CB SER B 48 -16.330 2.090 9.473 1.00 0.00 C ATOM 706 OG SER B 48 -16.932 1.070 10.251 1.00 0.00 O ATOM 0 H SER B 48 -16.464 0.353 7.797 1.00 0.00 H new ATOM 0 HA SER B 48 -18.134 2.569 8.373 1.00 0.00 H new ATOM 0 HB2 SER B 48 -15.297 1.821 9.251 1.00 0.00 H new ATOM 0 HB3 SER B 48 -16.302 3.019 10.043 1.00 0.00 H new ATOM 0 HG SER B 48 -16.423 0.947 11.079 1.00 0.00 H new ATOM 712 N TYR B 49 -15.261 3.218 6.940 1.00 0.00 N ATOM 713 CA TYR B 49 -14.449 4.179 6.193 1.00 0.00 C ATOM 714 C TYR B 49 -15.266 4.954 5.169 1.00 0.00 C ATOM 715 O TYR B 49 -15.942 4.374 4.315 1.00 0.00 O ATOM 716 CB TYR B 49 -13.310 3.435 5.493 1.00 0.00 C ATOM 717 CG TYR B 49 -12.597 2.456 6.398 1.00 0.00 C ATOM 718 CD1 TYR B 49 -13.135 1.200 6.644 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.403 2.792 7.022 1.00 0.00 C ATOM 720 CE1 TYR B 49 -12.508 0.308 7.481 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.765 1.898 7.860 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.322 0.656 8.087 1.00 0.00 C ATOM 723 OH TYR B 49 -10.695 -0.237 8.922 1.00 0.00 O ATOM 0 H TYR B 49 -14.798 2.319 7.070 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.051 4.905 6.903 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.709 2.900 4.631 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.590 4.160 5.113 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -14.063 0.919 6.169 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -10.967 3.765 6.850 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -12.945 -0.663 7.663 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -9.834 2.170 8.335 1.00 0.00 H new ATOM 0 HH TYR B 49 -9.869 0.162 9.267 1.00 0.00 H new ATOM 733 N GLU B 50 -15.205 6.271 5.285 1.00 0.00 N ATOM 734 CA GLU B 50 -15.872 7.165 4.354 1.00 0.00 C ATOM 735 C GLU B 50 -15.116 7.214 3.038 1.00 0.00 C ATOM 736 O GLU B 50 -14.154 6.475 2.828 1.00 0.00 O ATOM 737 CB GLU B 50 -15.939 8.575 4.939 1.00 0.00 C ATOM 738 CG GLU B 50 -16.613 8.656 6.292 1.00 0.00 C ATOM 739 CD GLU B 50 -16.456 10.023 6.917 1.00 0.00 C ATOM 740 OE1 GLU B 50 -15.426 10.256 7.585 1.00 0.00 O1- ATOM 741 OE2 GLU B 50 -17.351 10.876 6.730 1.00 0.00 O ATOM 0 H GLU B 50 -14.692 6.749 6.026 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.881 6.790 4.181 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -14.926 8.968 5.026 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -16.472 9.220 4.241 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.673 8.425 6.184 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.188 7.902 6.955 1.00 0.00 H new ATOM 748 N ASP B 51 -15.537 8.105 2.162 1.00 0.00 N ATOM 749 CA ASP B 51 -14.850 8.299 0.902 1.00 0.00 C ATOM 750 C ASP B 51 -13.633 9.184 1.134 1.00 0.00 C ATOM 751 O ASP B 51 -13.758 10.379 1.387 1.00 0.00 O ATOM 752 CB ASP B 51 -15.801 8.935 -0.114 1.00 0.00 C ATOM 753 CG ASP B 51 -15.199 9.083 -1.495 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.364 9.987 -1.696 1.00 0.00 O ATOM 755 OD2 ASP B 51 -15.579 8.307 -2.398 1.00 0.00 O1- ATOM 0 H ASP B 51 -16.350 8.705 2.300 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.520 7.340 0.504 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.704 8.329 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.103 9.917 0.249 1.00 0.00 H new ATOM 760 N LYS B 52 -12.460 8.578 1.064 1.00 0.00 N ATOM 761 CA LYS B 52 -11.202 9.279 1.300 1.00 0.00 C ATOM 762 C LYS B 52 -10.160 8.802 0.297 1.00 0.00 C ATOM 763 O LYS B 52 -9.979 7.599 0.122 1.00 0.00 O ATOM 764 CB LYS B 52 -10.687 9.012 2.722 1.00 0.00 C ATOM 765 CG LYS B 52 -11.736 9.158 3.814 1.00 0.00 C ATOM 766 CD LYS B 52 -11.173 8.788 5.178 1.00 0.00 C ATOM 767 CE LYS B 52 -12.261 8.733 6.243 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.960 10.038 6.398 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.349 7.588 0.843 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.376 10.349 1.183 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.278 8.003 2.762 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.866 9.697 2.931 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -12.100 10.185 3.836 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.591 8.521 3.587 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.676 7.820 5.116 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.416 9.517 5.469 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.986 7.963 5.980 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.820 8.443 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.725 9.941 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -12.283 10.758 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.361 10.328 5.483 1.00 0.00 H new ATOM 782 N ASN B 53 -9.483 9.731 -0.360 1.00 0.00 N ATOM 783 CA ASN B 53 -8.500 9.376 -1.376 1.00 0.00 C ATOM 784 C ASN B 53 -7.079 9.648 -0.899 1.00 0.00 C ATOM 785 O ASN B 53 -6.797 10.692 -0.305 1.00 0.00 O ATOM 786 CB ASN B 53 -8.757 10.142 -2.679 1.00 0.00 C ATOM 787 CG ASN B 53 -8.857 11.645 -2.484 1.00 0.00 C ATOM 788 OD1 ASN B 53 -7.853 12.356 -2.477 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.075 12.145 -2.349 1.00 0.00 N ATOM 0 H ASN B 53 -9.594 10.734 -0.210 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.605 8.307 -1.562 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.953 9.927 -3.383 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.681 9.779 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -10.204 13.150 -2.234 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.885 11.525 -2.360 1.00 0.00 H new ATOM 796 N TRP B 54 -6.192 8.697 -1.149 1.00 0.00 N ATOM 797 CA TRP B 54 -4.786 8.854 -0.843 1.00 0.00 C ATOM 798 C TRP B 54 -3.950 7.959 -1.758 1.00 0.00 C ATOM 799 O TRP B 54 -4.497 7.109 -2.466 1.00 0.00 O ATOM 800 CB TRP B 54 -4.525 8.560 0.627 1.00 0.00 C ATOM 801 CG TRP B 54 -4.806 7.164 1.054 1.00 0.00 C ATOM 802 CD1 TRP B 54 -6.025 6.609 1.314 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.834 6.153 1.301 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.871 5.305 1.704 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.531 5.001 1.703 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.435 6.110 1.216 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.880 3.820 2.021 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.794 4.929 1.534 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.515 3.799 1.931 1.00 0.00 C ATOM 0 H TRP B 54 -6.430 7.798 -1.569 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.491 9.888 -1.025 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.482 8.787 0.846 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.132 9.236 1.229 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.971 7.122 1.225 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.626 4.666 1.954 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.873 6.979 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.432 2.945 2.330 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.717 4.877 1.475 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.983 2.890 2.172 1.00 0.00 H new ATOM 820 N GLY B 55 -2.635 8.150 -1.753 1.00 0.00 N ATOM 821 CA GLY B 55 -1.788 7.459 -2.708 1.00 0.00 C ATOM 822 C GLY B 55 -0.514 6.900 -2.101 1.00 0.00 C ATOM 823 O GLY B 55 -0.016 7.408 -1.092 1.00 0.00 O ATOM 0 H GLY B 55 -2.142 8.768 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.354 6.643 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.526 8.147 -3.512 1.00 0.00 H new ATOM 827 N ILE B 56 -0.002 5.835 -2.714 1.00 0.00 N ATOM 828 CA ILE B 56 1.287 5.266 -2.347 1.00 0.00 C ATOM 829 C ILE B 56 2.282 5.454 -3.489 1.00 0.00 C ATOM 830 O ILE B 56 1.915 5.354 -4.666 1.00 0.00 O ATOM 831 CB ILE B 56 1.149 3.771 -2.023 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.078 3.576 -0.955 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.479 3.194 -1.553 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.489 2.183 -0.925 1.00 0.00 C ATOM 0 H ILE B 56 -0.470 5.345 -3.477 1.00 0.00 H new ATOM 0 HA ILE B 56 1.651 5.783 -1.459 1.00 0.00 H new ATOM 0 HB ILE B 56 0.854 3.241 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.503 3.809 0.022 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.731 4.286 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.357 2.134 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.226 3.316 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.807 3.719 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.245 2.115 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.943 1.954 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.309 1.469 -0.722 1.00 0.00 H new ATOM 846 N PHE B 57 3.532 5.726 -3.141 1.00 0.00 N ATOM 847 CA PHE B 57 4.543 6.109 -4.120 1.00 0.00 C ATOM 848 C PHE B 57 5.794 5.240 -3.999 1.00 0.00 C ATOM 849 O PHE B 57 6.206 4.905 -2.890 1.00 0.00 O ATOM 850 CB PHE B 57 4.858 7.593 -3.912 1.00 0.00 C ATOM 851 CG PHE B 57 3.601 8.417 -3.920 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.034 8.803 -5.117 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.953 8.742 -2.740 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.846 9.504 -5.146 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.758 9.433 -2.760 1.00 0.00 C ATOM 856 CZ PHE B 57 1.204 9.815 -3.965 1.00 0.00 C ATOM 0 H PHE B 57 3.873 5.688 -2.181 1.00 0.00 H new ATOM 0 HA PHE B 57 4.165 5.952 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.380 7.728 -2.965 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.529 7.940 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.527 8.553 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.387 8.452 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.420 9.808 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.257 9.674 -1.834 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.270 10.356 -3.983 1.00 0.00 H new ATOM 866 N VAL B 58 6.398 4.865 -5.140 1.00 0.00 N ATOM 867 CA VAL B 58 7.575 4.020 -5.116 1.00 0.00 C ATOM 868 C VAL B 58 8.718 4.699 -5.851 1.00 0.00 C ATOM 869 O VAL B 58 8.528 5.256 -6.930 1.00 0.00 O ATOM 870 CB VAL B 58 7.305 2.631 -5.732 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.038 2.732 -7.225 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.468 1.697 -5.457 1.00 0.00 C ATOM 0 H VAL B 58 6.086 5.136 -6.072 1.00 0.00 H new ATOM 0 HA VAL B 58 7.848 3.869 -4.071 1.00 0.00 H new ATOM 0 HB VAL B 58 6.410 2.221 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.852 1.737 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.166 3.363 -7.397 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.905 3.169 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.263 0.721 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.377 2.109 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.601 1.588 -4.381 1.00 0.00 H new ATOM 882 N ASN B 59 9.900 4.671 -5.242 1.00 0.00 N ATOM 883 CA ASN B 59 11.094 5.336 -5.773 1.00 0.00 C ATOM 884 C ASN B 59 10.880 6.844 -5.823 1.00 0.00 C ATOM 885 O ASN B 59 11.736 7.591 -6.296 1.00 0.00 O ATOM 886 CB ASN B 59 11.452 4.835 -7.179 1.00 0.00 C ATOM 887 CG ASN B 59 11.249 3.347 -7.364 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.089 2.530 -6.983 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.136 2.995 -7.987 1.00 0.00 N ATOM 0 H ASN B 59 10.061 4.184 -4.360 1.00 0.00 H new ATOM 0 HA ASN B 59 11.919 5.096 -5.102 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.846 5.369 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.493 5.080 -7.388 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.944 2.010 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.470 3.708 -8.284 1.00 0.00 H new ATOM 896 N GLY B 60 9.738 7.281 -5.308 1.00 0.00 N ATOM 897 CA GLY B 60 9.362 8.667 -5.390 1.00 0.00 C ATOM 898 C GLY B 60 8.251 8.899 -6.401 1.00 0.00 C ATOM 899 O GLY B 60 7.694 9.993 -6.492 1.00 0.00 O ATOM 0 H GLY B 60 9.061 6.686 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.037 9.013 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.232 9.263 -5.665 1.00 0.00 H new ATOM 903 N GLU B 61 7.924 7.847 -7.142 1.00 0.00 N ATOM 904 CA GLU B 61 6.904 7.880 -8.171 1.00 0.00 C ATOM 905 C GLU B 61 5.631 7.316 -7.594 1.00 0.00 C ATOM 906 O GLU B 61 5.651 6.855 -6.490 1.00 0.00 O ATOM 907 CB GLU B 61 7.343 7.020 -9.347 1.00 0.00 C ATOM 908 CG GLU B 61 8.302 7.712 -10.299 1.00 0.00 C ATOM 909 CD GLU B 61 8.732 6.822 -11.447 1.00 0.00 C ATOM 910 OE1 GLU B 61 9.621 5.965 -11.242 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 8.187 6.975 -12.561 1.00 0.00 O ATOM 0 H GLU B 61 8.370 6.935 -7.040 1.00 0.00 H new ATOM 0 HA GLU B 61 6.747 8.904 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.817 6.116 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.460 6.706 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.827 8.608 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.184 8.037 -9.747 1.00 0.00 H new ATOM 918 N LYS B 62 4.541 7.320 -8.321 1.00 0.00 N ATOM 919 CA LYS B 62 3.318 6.707 -7.813 1.00 0.00 C ATOM 920 C LYS B 62 3.380 5.194 -7.996 1.00 0.00 C ATOM 921 O LYS B 62 4.355 4.674 -8.540 1.00 0.00 O ATOM 922 CB LYS B 62 2.098 7.309 -8.510 1.00 0.00 C ATOM 923 CG LYS B 62 0.892 7.437 -7.592 1.00 0.00 C ATOM 924 CD LYS B 62 -0.215 8.279 -8.209 1.00 0.00 C ATOM 925 CE LYS B 62 0.177 9.740 -8.374 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.729 10.451 -9.317 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.465 7.731 -9.252 1.00 0.00 H new ATOM 0 HA LYS B 62 3.225 6.912 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.358 8.294 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.832 6.688 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.505 6.444 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.203 7.884 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.479 7.866 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.105 8.215 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.153 10.235 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.203 9.803 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.430 11.443 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.687 9.994 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.704 10.413 -8.957 1.00 0.00 H new ATOM 940 N VAL B 63 2.428 4.494 -7.390 1.00 0.00 N ATOM 941 CA VAL B 63 2.159 3.090 -7.712 1.00 0.00 C ATOM 942 C VAL B 63 0.724 2.725 -7.396 1.00 0.00 C ATOM 943 O VAL B 63 0.238 1.676 -7.819 1.00 0.00 O ATOM 944 CB VAL B 63 3.054 2.083 -6.961 1.00 0.00 C ATOM 945 CG1 VAL B 63 4.099 1.501 -7.895 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.695 2.707 -5.730 1.00 0.00 C ATOM 0 H VAL B 63 1.822 4.877 -6.665 1.00 0.00 H new ATOM 0 HA VAL B 63 2.373 3.015 -8.778 1.00 0.00 H new ATOM 0 HB VAL B 63 2.420 1.269 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.721 0.793 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.604 0.988 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL B 63 4.723 2.304 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.317 1.966 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL B 63 4.311 3.555 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL B 63 2.916 3.048 -5.048 1.00 0.00 H new ATOM 956 N TYR B 64 0.039 3.587 -6.666 1.00 0.00 N ATOM 957 CA TYR B 64 -1.251 3.215 -6.114 1.00 0.00 C ATOM 958 C TYR B 64 -2.063 4.451 -5.759 1.00 0.00 C ATOM 959 O TYR B 64 -1.612 5.315 -5.010 1.00 0.00 O ATOM 960 CB TYR B 64 -1.002 2.353 -4.878 1.00 0.00 C ATOM 961 CG TYR B 64 -2.123 1.423 -4.466 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.387 1.494 -5.031 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.903 0.467 -3.479 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.398 0.644 -4.620 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.906 -0.387 -3.070 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.153 -0.291 -3.640 1.00 0.00 C ATOM 967 OH TYR B 64 -5.159 -1.130 -3.224 1.00 0.00 O ATOM 0 H TYR B 64 0.347 4.534 -6.444 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.827 2.654 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -0.109 1.754 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.782 3.014 -4.040 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.585 2.223 -5.803 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.927 0.392 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -5.378 0.714 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.713 -1.126 -2.307 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.826 -0.617 -2.721 1.00 0.00 H new ATOM 977 N THR B 65 -3.249 4.520 -6.327 1.00 0.00 N ATOM 978 CA THR B 65 -4.181 5.621 -6.094 1.00 0.00 C ATOM 979 C THR B 65 -5.573 5.061 -5.840 1.00 0.00 C ATOM 980 O THR B 65 -6.119 4.360 -6.692 1.00 0.00 O ATOM 981 CB THR B 65 -4.244 6.561 -7.315 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.934 7.027 -7.643 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.157 7.748 -7.048 1.00 0.00 C ATOM 0 H THR B 65 -3.603 3.811 -6.970 1.00 0.00 H new ATOM 0 HA THR B 65 -3.831 6.185 -5.230 1.00 0.00 H new ATOM 0 HB THR B 65 -4.651 5.996 -8.154 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.997 7.729 -8.324 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.182 8.393 -7.926 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.164 7.391 -6.832 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.781 8.312 -6.194 1.00 0.00 H new ATOM 991 N PHE B 66 -6.155 5.352 -4.680 1.00 0.00 N ATOM 992 CA PHE B 66 -7.416 4.758 -4.334 1.00 0.00 C ATOM 993 C PHE B 66 -8.143 5.518 -3.251 1.00 0.00 C ATOM 994 O PHE B 66 -7.693 6.550 -2.748 1.00 0.00 O ATOM 995 CB PHE B 66 -7.220 3.304 -3.906 1.00 0.00 C ATOM 996 CG PHE B 66 -6.214 3.057 -2.824 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.868 3.285 -3.027 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.625 2.521 -1.625 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.946 2.985 -2.051 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.710 2.226 -0.633 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.366 2.455 -0.849 1.00 0.00 C ATOM 0 H PHE B 66 -5.770 5.988 -3.981 1.00 0.00 H new ATOM 0 HA PHE B 66 -8.037 4.799 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -8.182 2.913 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.927 2.726 -4.783 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.534 3.705 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.675 2.329 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.895 3.164 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -6.045 1.817 0.309 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.646 2.220 -0.079 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.275 4.956 -2.922 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.206 5.509 -1.964 1.00 0.00 C ATOM 1013 C ASN B 67 -10.582 4.421 -0.966 1.00 0.00 C ATOM 1014 O ASN B 67 -10.502 3.231 -1.278 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.456 5.991 -2.700 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.349 6.867 -1.853 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.131 6.379 -1.036 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.262 8.168 -2.068 1.00 0.00 N ATOM 0 H ASN B 67 -9.588 4.072 -3.324 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.753 6.350 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.155 6.544 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.025 5.126 -3.040 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.857 8.812 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.599 8.528 -2.755 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.010 4.826 0.219 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.355 3.883 1.271 1.00 0.00 C ATOM 1027 C GLU B 68 -12.641 3.130 0.931 1.00 0.00 C ATOM 1028 O GLU B 68 -12.835 1.989 1.352 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.498 4.626 2.597 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.241 5.381 2.997 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.065 4.461 3.254 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.466 3.954 2.279 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.741 4.221 4.436 1.00 0.00 O1- ATOM 0 H GLU B 68 -11.127 5.806 0.477 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.556 3.147 1.359 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.329 5.328 2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.751 3.912 3.381 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.980 6.087 2.209 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.443 5.966 3.895 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.498 3.775 0.151 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.742 3.176 -0.316 1.00 0.00 C ATOM 1042 C LYS B 69 -14.492 2.389 -1.598 1.00 0.00 C ATOM 1043 O LYS B 69 -15.253 1.488 -1.955 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.781 4.268 -0.562 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.148 3.738 -0.965 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.139 4.867 -1.196 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.336 5.697 0.061 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.370 6.746 -0.121 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.350 4.730 -0.176 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.119 2.494 0.446 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.886 4.866 0.343 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.416 4.934 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.055 3.143 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.526 3.075 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.783 5.506 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -19.096 4.454 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.623 5.044 0.885 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.391 6.164 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -19.473 7.289 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.084 7.385 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.278 6.300 -0.361 1.00 0.00 H new ATOM 1062 N SER B 70 -13.415 2.739 -2.287 1.00 0.00 N ATOM 1063 CA SER B 70 -12.976 1.992 -3.455 1.00 0.00 C ATOM 1064 C SER B 70 -12.398 0.646 -3.010 1.00 0.00 C ATOM 1065 O SER B 70 -12.342 -0.301 -3.793 1.00 0.00 O ATOM 1066 CB SER B 70 -11.956 2.825 -4.247 1.00 0.00 C ATOM 1067 OG SER B 70 -11.221 2.035 -5.158 1.00 0.00 O ATOM 0 H SER B 70 -12.827 3.540 -2.055 1.00 0.00 H new ATOM 0 HA SER B 70 -13.820 1.791 -4.115 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.476 3.615 -4.789 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.270 3.312 -3.554 1.00 0.00 H new ATOM 0 HG SER B 70 -10.585 2.601 -5.643 1.00 0.00 H new ATOM 1073 N THR B 71 -12.012 0.577 -1.731 1.00 0.00 N ATOM 1074 CA THR B 71 -11.672 -0.660 -1.039 1.00 0.00 C ATOM 1075 C THR B 71 -10.527 -1.440 -1.695 1.00 0.00 C ATOM 1076 O THR B 71 -10.661 -2.003 -2.785 1.00 0.00 O ATOM 1077 CB THR B 71 -12.912 -1.546 -0.865 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.374 -2.057 -2.123 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.018 -0.746 -0.204 1.00 0.00 C ATOM 0 H THR B 71 -11.927 1.403 -1.139 1.00 0.00 H new ATOM 0 HA THR B 71 -11.305 -0.364 -0.056 1.00 0.00 H new ATOM 0 HB THR B 71 -12.637 -2.394 -0.237 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.770 -1.763 -2.837 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.899 -1.376 -0.081 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.681 -0.398 0.772 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.270 0.111 -0.828 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.419 -1.513 -0.965 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.145 -1.999 -1.492 1.00 0.00 C ATOM 1089 C VAL B 72 -8.217 -3.441 -2.015 1.00 0.00 C ATOM 1090 O VAL B 72 -7.336 -3.867 -2.749 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.030 -1.900 -0.420 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.167 -0.616 0.380 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.037 -3.111 0.498 1.00 0.00 C ATOM 0 H VAL B 72 -9.378 -1.235 0.016 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.908 -1.354 -2.338 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.071 -1.882 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.375 -0.566 1.127 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.088 0.240 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.136 -0.599 0.878 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.243 -3.011 1.238 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.000 -3.178 1.005 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.873 -4.014 -0.090 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.264 -4.177 -1.651 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.388 -5.562 -2.084 1.00 0.00 C ATOM 1105 C GLY B 73 -9.383 -5.701 -3.597 1.00 0.00 C ATOM 1106 O GLY B 73 -8.619 -6.488 -4.159 1.00 0.00 O ATOM 0 H GLY B 73 -10.028 -3.841 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.567 -6.145 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.312 -5.982 -1.687 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.224 -4.924 -4.261 1.00 0.00 N ATOM 1111 CA ASN B 74 -10.304 -4.957 -5.717 1.00 0.00 C ATOM 1112 C ASN B 74 -9.114 -4.233 -6.332 1.00 0.00 C ATOM 1113 O ASN B 74 -8.580 -4.634 -7.371 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.605 -4.305 -6.199 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.828 -5.133 -5.922 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.798 -6.366 -5.970 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.917 -4.452 -5.619 1.00 0.00 N ATOM 0 H ASN B 74 -10.861 -4.263 -3.818 1.00 0.00 H new ATOM 0 HA ASN B 74 -10.290 -6.000 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.716 -3.334 -5.716 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.535 -4.122 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.785 -4.945 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.890 -3.433 -5.593 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.686 -3.182 -5.662 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.673 -2.291 -6.210 1.00 0.00 C ATOM 1126 C ILE B 75 -6.296 -2.927 -6.156 1.00 0.00 C ATOM 1127 O ILE B 75 -5.578 -2.976 -7.153 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.599 -0.963 -5.448 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.944 -0.596 -4.832 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -7.140 0.134 -6.393 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.862 0.605 -3.943 1.00 0.00 C ATOM 0 H ILE B 75 -9.022 -2.920 -4.735 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.968 -2.104 -7.242 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.883 -1.073 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.664 -0.406 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.320 -1.443 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -7.086 1.080 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -6.155 -0.115 -6.788 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.849 0.225 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.848 0.821 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.164 0.408 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.514 1.462 -4.520 1.00 0.00 H new ATOM 1143 N SER B 76 -5.939 -3.415 -4.980 1.00 0.00 N ATOM 1144 CA SER B 76 -4.617 -3.976 -4.750 1.00 0.00 C ATOM 1145 C SER B 76 -4.415 -5.214 -5.606 1.00 0.00 C ATOM 1146 O SER B 76 -3.290 -5.550 -5.961 1.00 0.00 O ATOM 1147 CB SER B 76 -4.409 -4.310 -3.273 1.00 0.00 C ATOM 1148 OG SER B 76 -3.040 -4.546 -2.996 1.00 0.00 O ATOM 0 H SER B 76 -6.551 -3.434 -4.164 1.00 0.00 H new ATOM 0 HA SER B 76 -3.877 -3.227 -5.033 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.773 -3.489 -2.656 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.995 -5.191 -3.009 1.00 0.00 H new ATOM 0 HG SER B 76 -2.725 -3.901 -2.328 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.517 -5.879 -5.941 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.491 -6.977 -6.901 1.00 0.00 C ATOM 1156 C ASN B 77 -4.727 -6.553 -8.139 1.00 0.00 C ATOM 1157 O ASN B 77 -3.838 -7.252 -8.627 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.907 -7.327 -7.319 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.987 -8.652 -8.056 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -6.217 -9.573 -7.787 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.913 -8.751 -8.995 1.00 0.00 N ATOM 0 H ASN B 77 -6.441 -5.676 -5.560 1.00 0.00 H new ATOM 0 HA ASN B 77 -5.011 -7.838 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.543 -7.368 -6.435 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.300 -6.536 -7.958 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -8.009 -9.616 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.532 -7.963 -9.186 1.00 0.00 H new ATOM 1168 N ASP B 78 -5.098 -5.384 -8.629 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.439 -4.787 -9.787 1.00 0.00 C ATOM 1170 C ASP B 78 -3.040 -4.293 -9.435 1.00 0.00 C ATOM 1171 O ASP B 78 -2.102 -4.479 -10.203 1.00 0.00 O ATOM 1172 CB ASP B 78 -5.268 -3.631 -10.348 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.910 -3.970 -11.676 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.234 -3.841 -12.717 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.097 -4.357 -11.690 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.857 -4.822 -8.243 1.00 0.00 H new ATOM 0 HA ASP B 78 -4.351 -5.563 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -6.044 -3.363 -9.631 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.630 -2.756 -10.469 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.903 -3.663 -8.273 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.618 -3.149 -7.811 1.00 0.00 C ATOM 1182 C ILE B 79 -0.564 -4.251 -7.717 1.00 0.00 C ATOM 1183 O ILE B 79 0.613 -4.024 -7.977 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.769 -2.462 -6.461 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.838 -1.393 -6.597 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.449 -1.855 -6.000 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.612 -0.427 -7.743 1.00 0.00 C ATOM 0 H ILE B 79 -3.675 -3.495 -7.628 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.279 -2.422 -8.549 1.00 0.00 H new ATOM 0 HB ILE B 79 -2.061 -3.192 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.805 -1.878 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.891 -0.828 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.589 -1.372 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.300 -2.641 -5.908 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -0.113 -1.118 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.421 0.303 -7.768 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.662 0.089 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.590 -0.977 -8.684 1.00 0.00 H new ATOM 1199 N ASN B 80 -1.008 -5.451 -7.368 1.00 0.00 N ATOM 1200 CA ASN B 80 -0.119 -6.608 -7.240 1.00 0.00 C ATOM 1201 C ASN B 80 0.594 -6.932 -8.552 1.00 0.00 C ATOM 1202 O ASN B 80 1.646 -7.569 -8.548 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.897 -7.841 -6.768 1.00 0.00 C ATOM 1204 CG ASN B 80 -1.087 -7.899 -5.261 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -1.183 -8.980 -4.684 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.151 -6.748 -4.612 1.00 0.00 N ATOM 0 H ASN B 80 -1.987 -5.654 -7.166 1.00 0.00 H new ATOM 0 HA ASN B 80 0.635 -6.344 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.875 -7.850 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN B 80 -0.372 -8.739 -7.095 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.284 -6.739 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -1.067 -5.869 -5.123 1.00 0.00 H new ATOM 1213 N LYS B 81 0.034 -6.487 -9.674 1.00 0.00 N ATOM 1214 CA LYS B 81 0.626 -6.778 -10.972 1.00 0.00 C ATOM 1215 C LYS B 81 1.684 -5.737 -11.326 1.00 0.00 C ATOM 1216 O LYS B 81 2.425 -5.896 -12.292 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.452 -6.832 -12.062 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.838 -5.481 -12.636 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.915 -5.617 -13.698 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.221 -4.286 -14.367 1.00 0.00 C ATOM 1221 NZ LYS B 81 -2.758 -3.282 -13.413 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.820 -5.930 -9.709 1.00 0.00 H new ATOM 0 HA LYS B 81 1.106 -7.755 -10.913 1.00 0.00 H new ATOM 0 HB2 LYS B 81 -0.099 -7.469 -12.873 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -1.343 -7.305 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.194 -4.832 -11.836 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.041 -5.002 -13.067 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.594 -6.337 -14.451 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.824 -6.013 -13.245 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.313 -3.897 -14.827 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.942 -4.443 -15.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -2.998 -2.410 -13.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.611 -3.660 -12.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.041 -3.072 -12.690 1.00 0.00 H new ATOM 1235 N LEU B 82 1.772 -4.692 -10.512 1.00 0.00 N ATOM 1236 CA LEU B 82 2.682 -3.576 -10.770 1.00 0.00 C ATOM 1237 C LEU B 82 4.121 -3.997 -10.552 1.00 0.00 C ATOM 1238 O LEU B 82 5.047 -3.327 -11.012 1.00 0.00 O ATOM 1239 CB LEU B 82 2.366 -2.400 -9.837 1.00 0.00 C ATOM 1240 CG LEU B 82 1.342 -1.380 -10.345 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.960 -0.496 -11.418 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.098 -2.068 -10.888 1.00 0.00 C ATOM 0 H LEU B 82 1.220 -4.592 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 82 2.546 -3.270 -11.807 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.005 -2.803 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.296 -1.873 -9.625 1.00 0.00 H new ATOM 0 HG LEU B 82 1.045 -0.759 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.219 0.223 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.815 0.037 -11.002 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.289 -1.114 -12.253 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.609 -1.317 -11.240 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.375 -2.722 -11.715 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.365 -2.659 -10.098 1.00 0.00 H new ATOM 1254 N ASN B 83 4.284 -5.124 -9.869 1.00 0.00 N ATOM 1255 CA ASN B 83 5.583 -5.578 -9.399 1.00 0.00 C ATOM 1256 C ASN B 83 6.324 -4.416 -8.735 1.00 0.00 C ATOM 1257 O ASN B 83 7.374 -3.967 -9.208 1.00 0.00 O ATOM 1258 CB ASN B 83 6.393 -6.172 -10.552 1.00 0.00 C ATOM 1259 CG ASN B 83 7.579 -6.992 -10.075 1.00 0.00 C ATOM 1260 OD1 ASN B 83 7.458 -8.196 -9.841 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.730 -6.359 -9.936 1.00 0.00 N ATOM 0 H ASN B 83 3.515 -5.749 -9.626 1.00 0.00 H new ATOM 0 HA ASN B 83 5.444 -6.365 -8.658 1.00 0.00 H new ATOM 0 HB2 ASN B 83 5.743 -6.801 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.749 -5.366 -11.194 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.558 -6.868 -9.625 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.791 -5.361 -10.139 1.00 0.00 H new ATOM 1268 N ILE B 84 5.722 -3.903 -7.665 1.00 0.00 N ATOM 1269 CA ILE B 84 6.234 -2.748 -6.949 1.00 0.00 C ATOM 1270 C ILE B 84 7.652 -2.964 -6.459 1.00 0.00 C ATOM 1271 O ILE B 84 8.019 -4.051 -6.021 1.00 0.00 O ATOM 1272 CB ILE B 84 5.335 -2.412 -5.750 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.906 -2.330 -6.234 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.753 -1.105 -5.088 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.085 -3.571 -5.946 1.00 0.00 C ATOM 0 H ILE B 84 4.861 -4.282 -7.272 1.00 0.00 H new ATOM 0 HA ILE B 84 6.237 -1.917 -7.655 1.00 0.00 H new ATOM 0 HB ILE B 84 5.432 -3.195 -4.998 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.424 -1.471 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.907 -2.149 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.095 -0.898 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.781 -1.188 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.682 -0.292 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.072 -3.433 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.541 -4.431 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.050 -3.743 -4.870 1.00 0.00 H new ATOM 1287 N LYS B 85 8.428 -1.907 -6.554 1.00 0.00 N ATOM 1288 CA LYS B 85 9.814 -1.908 -6.098 1.00 0.00 C ATOM 1289 C LYS B 85 9.921 -1.343 -4.686 1.00 0.00 C ATOM 1290 O LYS B 85 8.915 -1.032 -4.049 1.00 0.00 O ATOM 1291 CB LYS B 85 10.686 -1.081 -7.044 1.00 0.00 C ATOM 1292 CG LYS B 85 10.648 -1.558 -8.486 1.00 0.00 C ATOM 1293 CD LYS B 85 11.621 -0.779 -9.360 1.00 0.00 C ATOM 1294 CE LYS B 85 13.063 -0.974 -8.914 1.00 0.00 C ATOM 1295 NZ LYS B 85 14.021 -0.261 -9.800 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.122 -1.018 -6.949 1.00 0.00 H new ATOM 0 HA LYS B 85 10.164 -2.940 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.362 -0.041 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.716 -1.107 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.893 -2.619 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.637 -1.449 -8.879 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.515 -1.099 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.371 0.281 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.178 -0.614 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.299 -2.038 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 14.991 -0.420 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.930 -0.622 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.813 0.758 -9.788 1.00 0.00 H new ATOM 1309 N GLY B 86 11.149 -1.201 -4.209 1.00 0.00 N ATOM 1310 CA GLY B 86 11.379 -0.646 -2.893 1.00 0.00 C ATOM 1311 C GLY B 86 12.565 0.292 -2.887 1.00 0.00 C ATOM 1312 O GLY B 86 13.695 -0.132 -3.124 1.00 0.00 O ATOM 0 H GLY B 86 11.995 -1.463 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.489 -0.111 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.549 -1.454 -2.181 1.00 0.00 H new ATOM 1316 N MET B 87 12.311 1.572 -2.638 1.00 0.00 N ATOM 1317 CA MET B 87 13.347 2.563 -2.609 1.00 0.00 C ATOM 1318 C MET B 87 12.881 3.785 -1.819 1.00 0.00 C ATOM 1319 O MET B 87 13.296 3.992 -0.683 1.00 0.00 O ATOM 1320 CB MET B 87 13.733 2.951 -4.029 1.00 0.00 C ATOM 1321 CG MET B 87 14.458 4.263 -4.077 1.00 0.00 C ATOM 1322 SD MET B 87 16.103 4.150 -4.812 1.00 0.00 S ATOM 1323 CE MET B 87 16.892 2.960 -3.725 1.00 0.00 C ATOM 0 H MET B 87 11.377 1.938 -2.452 1.00 0.00 H new ATOM 0 HA MET B 87 14.226 2.150 -2.114 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.364 2.173 -4.458 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.836 3.010 -4.645 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.863 4.977 -4.646 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.547 4.657 -3.065 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.972 3.106 -3.748 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.529 3.100 -2.707 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.655 1.950 -4.059 1.00 0.00 H new ATOM 1333 N TYR B 88 12.006 4.590 -2.420 1.00 0.00 N ATOM 1334 CA TYR B 88 11.449 5.736 -1.733 1.00 0.00 C ATOM 1335 C TYR B 88 9.940 5.598 -1.693 1.00 0.00 C ATOM 1336 O TYR B 88 9.231 6.095 -2.569 1.00 0.00 O ATOM 1337 CB TYR B 88 11.852 7.035 -2.429 1.00 0.00 C ATOM 1338 CG TYR B 88 11.785 8.242 -1.527 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.571 8.848 -1.224 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.940 8.771 -0.969 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.514 9.950 -0.391 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.892 9.870 -0.138 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.678 10.455 0.150 1.00 0.00 C ATOM 1344 OH TYR B 88 11.631 11.551 0.983 1.00 0.00 O ATOM 0 H TYR B 88 11.674 4.464 -3.376 1.00 0.00 H new ATOM 0 HA TYR B 88 11.839 5.773 -0.716 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.867 6.933 -2.813 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.201 7.196 -3.288 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.659 8.452 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.893 8.314 -1.190 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.564 10.412 -0.165 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.801 10.270 0.285 1.00 0.00 H new ATOM 0 HH TYR B 88 12.538 11.777 1.278 1.00 0.00 H new ATOM 1354 N ILE B 89 9.465 4.872 -0.701 1.00 0.00 N ATOM 1355 CA ILE B 89 8.041 4.640 -0.536 1.00 0.00 C ATOM 1356 C ILE B 89 7.402 5.769 0.266 1.00 0.00 C ATOM 1357 O ILE B 89 7.893 6.145 1.333 1.00 0.00 O ATOM 1358 CB ILE B 89 7.760 3.299 0.175 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.570 2.161 -0.453 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.271 2.974 0.128 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.231 1.903 -1.898 1.00 0.00 C ATOM 0 H ILE B 89 10.048 4.429 0.009 1.00 0.00 H new ATOM 0 HA ILE B 89 7.607 4.604 -1.535 1.00 0.00 H new ATOM 0 HB ILE B 89 8.067 3.400 1.216 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.631 2.396 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.402 1.249 0.119 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.089 2.026 0.634 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.710 3.764 0.627 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.947 2.900 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.844 1.084 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.177 1.636 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.426 2.801 -2.483 1.00 0.00 H new ATOM 1373 N GLU B 90 6.319 6.313 -0.261 1.00 0.00 N ATOM 1374 CA GLU B 90 5.569 7.357 0.422 1.00 0.00 C ATOM 1375 C GLU B 90 4.117 6.946 0.603 1.00 0.00 C ATOM 1376 O GLU B 90 3.547 6.255 -0.243 1.00 0.00 O ATOM 1377 CB GLU B 90 5.624 8.667 -0.359 1.00 0.00 C ATOM 1378 CG GLU B 90 6.896 9.472 -0.157 1.00 0.00 C ATOM 1379 CD GLU B 90 6.910 10.198 1.169 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.340 11.308 1.246 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.489 9.671 2.139 1.00 0.00 O ATOM 0 H GLU B 90 5.935 6.047 -1.168 1.00 0.00 H new ATOM 0 HA GLU B 90 6.027 7.504 1.400 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.514 8.446 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.771 9.282 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.757 8.807 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU B 90 6.998 10.195 -0.966 1.00 0.00 H new ATOM 1388 N ILE B 91 3.536 7.383 1.709 1.00 0.00 N ATOM 1389 CA ILE B 91 2.136 7.136 2.012 1.00 0.00 C ATOM 1390 C ILE B 91 1.494 8.420 2.516 1.00 0.00 C ATOM 1391 O ILE B 91 1.938 8.991 3.515 1.00 0.00 O ATOM 1392 CB ILE B 91 1.975 6.028 3.074 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.339 4.662 2.479 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.566 6.017 3.652 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.207 3.512 3.453 1.00 0.00 C ATOM 0 H ILE B 91 4.025 7.921 2.425 1.00 0.00 H new ATOM 0 HA ILE B 91 1.644 6.803 1.098 1.00 0.00 H new ATOM 0 HB ILE B 91 2.662 6.240 3.894 1.00 0.00 H new ATOM 0 HG12 ILE B 91 1.699 4.470 1.617 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.365 4.698 2.113 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.485 5.226 4.397 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.357 6.979 4.120 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.154 5.839 2.853 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.482 2.581 2.957 1.00 0.00 H new ATOM 0 HD12 ILE B 91 2.868 3.678 4.304 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.176 3.447 3.801 1.00 0.00 H new ATOM 1407 N LYS B 92 0.468 8.879 1.814 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.155 10.161 2.115 1.00 0.00 C ATOM 1409 C LYS B 92 -1.412 10.387 1.294 1.00 0.00 C ATOM 1410 O LYS B 92 -1.706 9.635 0.368 1.00 0.00 O ATOM 1411 CB LYS B 92 0.835 11.280 1.837 1.00 0.00 C ATOM 1412 CG LYS B 92 1.536 11.134 0.499 1.00 0.00 C ATOM 1413 CD LYS B 92 2.862 11.878 0.504 1.00 0.00 C ATOM 1414 CE LYS B 92 3.584 11.767 -0.824 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.892 12.472 -0.797 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.048 8.381 1.029 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.439 10.155 3.167 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.311 12.236 1.864 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.581 11.303 2.631 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.706 10.079 0.285 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.899 11.522 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.686 12.929 0.734 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.497 11.480 1.296 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.742 10.716 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.961 12.186 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.417 12.263 -1.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.732 13.497 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.443 12.150 0.024 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.136 11.446 1.639 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.358 11.814 0.952 1.00 0.00 C ATOM 1431 C GLN B 93 -3.003 12.644 -0.270 1.00 0.00 C ATOM 1432 O GLN B 93 -1.983 13.335 -0.285 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.287 12.617 1.872 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.393 12.092 3.304 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.823 10.639 3.396 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -6.014 10.328 3.408 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -3.856 9.744 3.512 1.00 0.00 N ATOM 0 H GLN B 93 -1.887 12.072 2.405 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.882 10.907 0.652 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -3.937 13.649 1.905 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.284 12.632 1.432 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.427 12.207 3.795 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.105 12.707 3.854 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.881 10.042 3.497 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -4.086 8.756 3.616 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.841 12.576 -1.278 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.567 13.225 -2.547 1.00 0.00 C ATOM 1448 C ILE B 94 -4.525 14.389 -2.794 1.00 0.00 C ATOM 1449 O ILE B 94 -5.467 14.240 -3.596 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.666 12.195 -3.686 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.859 11.274 -3.434 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.381 11.386 -3.769 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.108 10.258 -4.528 1.00 0.00 C ATOM 1454 OXT ILE B 94 -4.340 15.449 -2.161 1.00 0.00 O ATOM 0 H ILE B 94 -4.728 12.073 -1.246 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.556 13.632 -2.515 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.809 12.714 -4.634 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.702 10.746 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.754 11.884 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.460 10.660 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.542 12.054 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.219 10.863 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.972 9.647 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.300 10.775 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.232 9.619 -4.638 1.00 0.00 H new