USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=28 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 130:sc= 0 USER MOD Set 1.2: B 80 ASN : amide:sc= -0.219 K(o=-0.22,f=-6.7!) USER MOD Set 2.1: B 62 LYS NZ :NH3+ 148:sc= 1.16 (180deg=-0.173) USER MOD Set 2.2: B 65 THR OG1 : rot 141:sc= 0.478 USER MOD Set 3.1: B 59 ASN : amide:sc= -3.4! K(o=-3.7!,f=-2.4) USER MOD Set 3.2: B 87 MET CE :methyl -139:sc= -0.326 (180deg=-3.53!) USER MOD Set 4.1: B 53 ASN : amide:sc= 0.722 K(o=0.79,f=-7.5!) USER MOD Set 4.2: B 67 ASN : amide:sc= 0.0715 K(o=0.79,f=-11!) USER MOD Set 5.1: B 30 SER OG : rot -160:sc= 0.796 USER MOD Set 5.2: B 37 LYS NZ :NH3+ -178:sc= 1.2 (180deg=-0.00793) USER MOD Single : B 10 MET CE :methyl -163:sc= -0.0397 (180deg=-0.357) USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : B 12 SER OG : rot 151:sc= 1.17 USER MOD Single : B 14 ASN : amide:sc= -3.62! K(o=-3.6!,f=-0.36) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN : amide:sc= -3.15! K(o=-3.1!,f=-0.87) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.67) USER MOD Single : B 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.128) USER MOD Single : B 24 LYS NZ :NH3+ 147:sc= 0.884 (180deg=-0.26!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 143:sc= -0.393 (180deg=-1.9) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 34 ASN : amide:sc= -0.2 K(o=-0.2,f=-4.6!) USER MOD Single : B 35 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.4!) USER MOD Single : B 39 THR OG1 : rot 180:sc= -1.39 USER MOD Single : B 40 SER OG : rot 180:sc=-0.00292 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 100:sc=-0.00584 USER MOD Single : B 52 LYS NZ :NH3+ 166:sc=-0.00856 (180deg=-0.178) USER MOD Single : B 64 TYR OH : rot -60:sc= -0.653 USER MOD Single : B 69 LYS NZ :NH3+ -168:sc= -0.0437 (180deg=-0.337) USER MOD Single : B 70 SER OG : rot 180:sc= -2.19! USER MOD Single : B 71 THR OG1 : rot -27:sc= 0.73! USER MOD Single : B 74 ASN : amide:sc=-0.00484 K(o=-0.0048,f=-0.94) USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 81 LYS NZ :NH3+ -137:sc= -0.256 (180deg=-3.36!) USER MOD Single : B 83 ASN : amide:sc= -0.0623 K(o=-0.062,f=-0.78) USER MOD Single : B 85 LYS NZ :NH3+ -166:sc= -0.0291 (180deg=-0.207) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 173:sc= 0.409 (180deg=0.341) USER MOD Single : B 93 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.859 1.376 4.260 1.00 0.00 N ATOM 145 CA MET B 10 10.501 0.861 4.325 1.00 0.00 C ATOM 146 C MET B 10 9.756 1.098 5.649 1.00 0.00 C ATOM 147 O MET B 10 8.912 0.283 6.026 1.00 0.00 O ATOM 148 CB MET B 10 10.553 -0.628 4.022 1.00 0.00 C ATOM 149 CG MET B 10 10.924 -0.951 2.583 1.00 0.00 C ATOM 150 SD MET B 10 11.025 -2.724 2.284 1.00 0.00 S ATOM 151 CE MET B 10 12.485 -3.157 3.228 1.00 0.00 C ATOM 0 HA MET B 10 9.925 1.422 3.590 1.00 0.00 H new ATOM 0 HB2 MET B 10 11.276 -1.099 4.688 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.581 -1.068 4.244 1.00 0.00 H new ATOM 0 HG2 MET B 10 10.184 -0.513 1.913 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.882 -0.490 2.345 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.849 -4.133 2.908 1.00 0.00 H new ATOM 0 HE2 MET B 10 13.260 -2.409 3.063 1.00 0.00 H new ATOM 0 HE3 MET B 10 12.235 -3.192 4.288 1.00 0.00 H new ATOM 161 N ASN B 11 10.034 2.201 6.341 1.00 0.00 N ATOM 162 CA ASN B 11 9.267 2.565 7.527 1.00 0.00 C ATOM 163 C ASN B 11 7.792 2.674 7.180 1.00 0.00 C ATOM 164 O ASN B 11 6.908 2.342 7.973 1.00 0.00 O ATOM 165 CB ASN B 11 9.758 3.893 8.109 1.00 0.00 C ATOM 166 CG ASN B 11 8.865 4.420 9.219 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.964 5.229 8.977 1.00 0.00 O ATOM 168 ND2 ASN B 11 9.097 3.963 10.441 1.00 0.00 N ATOM 0 H ASN B 11 10.780 2.854 6.102 1.00 0.00 H new ATOM 0 HA ASN B 11 9.408 1.785 8.275 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.769 3.763 8.494 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.814 4.634 7.312 1.00 0.00 H new ATOM 0 HD21 ASN B 11 8.522 4.279 11.222 1.00 0.00 H new ATOM 0 HD22 ASN B 11 9.851 3.295 10.601 1.00 0.00 H new ATOM 175 N SER B 12 7.552 3.091 5.954 1.00 0.00 N ATOM 176 CA SER B 12 6.223 3.355 5.473 1.00 0.00 C ATOM 177 C SER B 12 5.449 2.055 5.325 1.00 0.00 C ATOM 178 O SER B 12 4.239 2.012 5.521 1.00 0.00 O ATOM 179 CB SER B 12 6.335 4.062 4.130 1.00 0.00 C ATOM 180 OG SER B 12 7.354 5.051 4.173 1.00 0.00 O ATOM 0 H SER B 12 8.283 3.256 5.262 1.00 0.00 H new ATOM 0 HA SER B 12 5.686 3.986 6.182 1.00 0.00 H new ATOM 0 HB2 SER B 12 6.557 3.336 3.348 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.381 4.524 3.875 1.00 0.00 H new ATOM 0 HG SER B 12 7.737 5.165 3.278 1.00 0.00 H new ATOM 186 N ILE B 13 6.176 0.985 5.022 1.00 0.00 N ATOM 187 CA ILE B 13 5.567 -0.295 4.701 1.00 0.00 C ATOM 188 C ILE B 13 4.914 -0.907 5.927 1.00 0.00 C ATOM 189 O ILE B 13 3.853 -1.530 5.846 1.00 0.00 O ATOM 190 CB ILE B 13 6.600 -1.274 4.142 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.471 -0.564 3.118 1.00 0.00 C ATOM 192 CG2 ILE B 13 5.913 -2.477 3.513 1.00 0.00 C ATOM 193 CD1 ILE B 13 6.695 0.220 2.078 1.00 0.00 C ATOM 0 H ILE B 13 7.196 0.982 4.993 1.00 0.00 H new ATOM 0 HA ILE B 13 4.807 -0.109 3.942 1.00 0.00 H new ATOM 0 HB ILE B 13 7.227 -1.632 4.958 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.145 0.115 3.640 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.092 -1.303 2.611 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.665 -3.162 3.121 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.314 -2.989 4.266 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.267 -2.144 2.701 1.00 0.00 H new ATOM 0 HD11 ILE B 13 7.391 0.695 1.387 1.00 0.00 H new ATOM 0 HD12 ILE B 13 6.040 -0.455 1.527 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.095 0.984 2.572 1.00 0.00 H new ATOM 205 N ASN B 14 5.546 -0.696 7.070 1.00 0.00 N ATOM 206 CA ASN B 14 5.055 -1.239 8.327 1.00 0.00 C ATOM 207 C ASN B 14 3.769 -0.531 8.704 1.00 0.00 C ATOM 208 O ASN B 14 2.865 -1.115 9.301 1.00 0.00 O ATOM 209 CB ASN B 14 6.090 -1.056 9.442 1.00 0.00 C ATOM 210 CG ASN B 14 7.378 -1.823 9.219 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.035 -2.250 10.170 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.757 -1.995 7.969 1.00 0.00 N ATOM 0 H ASN B 14 6.404 -0.150 7.154 1.00 0.00 H new ATOM 0 HA ASN B 14 4.872 -2.306 8.202 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.323 0.005 9.537 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.650 -1.372 10.388 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.621 -2.496 7.762 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.186 -1.627 7.208 1.00 0.00 H new ATOM 219 N SER B 15 3.697 0.736 8.321 1.00 0.00 N ATOM 220 CA SER B 15 2.532 1.543 8.571 1.00 0.00 C ATOM 221 C SER B 15 1.367 1.060 7.710 1.00 0.00 C ATOM 222 O SER B 15 0.222 1.072 8.146 1.00 0.00 O ATOM 223 CB SER B 15 2.848 3.015 8.283 1.00 0.00 C ATOM 224 OG SER B 15 1.757 3.861 8.602 1.00 0.00 O ATOM 0 H SER B 15 4.447 1.223 7.830 1.00 0.00 H new ATOM 0 HA SER B 15 2.246 1.449 9.619 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.723 3.318 8.858 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.103 3.132 7.230 1.00 0.00 H new ATOM 0 HG SER B 15 1.996 4.791 8.407 1.00 0.00 H new ATOM 230 N VAL B 16 1.678 0.608 6.494 1.00 0.00 N ATOM 231 CA VAL B 16 0.658 0.108 5.573 1.00 0.00 C ATOM 232 C VAL B 16 -0.005 -1.138 6.132 1.00 0.00 C ATOM 233 O VAL B 16 -1.223 -1.296 6.050 1.00 0.00 O ATOM 234 CB VAL B 16 1.243 -0.251 4.198 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.133 -0.523 3.195 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.161 0.837 3.694 1.00 0.00 C ATOM 0 H VAL B 16 2.628 0.578 6.125 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.067 0.913 5.456 1.00 0.00 H new ATOM 0 HB VAL B 16 1.833 -1.160 4.314 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.570 -0.775 2.229 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.478 -1.355 3.545 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.489 0.366 3.091 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.559 0.554 2.720 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.604 1.769 3.602 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.983 0.974 4.396 1.00 0.00 H new ATOM 246 N ASN B 17 0.811 -2.020 6.695 1.00 0.00 N ATOM 247 CA ASN B 17 0.322 -3.269 7.267 1.00 0.00 C ATOM 248 C ASN B 17 -0.716 -2.984 8.344 1.00 0.00 C ATOM 249 O ASN B 17 -1.706 -3.697 8.472 1.00 0.00 O ATOM 250 CB ASN B 17 1.481 -4.069 7.866 1.00 0.00 C ATOM 251 CG ASN B 17 1.069 -5.446 8.370 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.547 -5.907 9.404 1.00 0.00 O ATOM 253 ND2 ASN B 17 0.211 -6.128 7.626 1.00 0.00 N ATOM 0 H ASN B 17 1.820 -1.893 6.768 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.140 -3.855 6.473 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.261 -4.184 7.113 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.915 -3.503 8.690 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.073 -7.067 7.906 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.166 -5.714 6.773 1.00 0.00 H new ATOM 260 N ASP B 18 -0.473 -1.933 9.109 1.00 0.00 N ATOM 261 CA ASP B 18 -1.388 -1.512 10.158 1.00 0.00 C ATOM 262 C ASP B 18 -2.569 -0.736 9.582 1.00 0.00 C ATOM 263 O ASP B 18 -3.707 -0.907 10.019 1.00 0.00 O ATOM 264 CB ASP B 18 -0.644 -0.636 11.161 1.00 0.00 C ATOM 265 CG ASP B 18 -0.486 -1.289 12.516 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.442 -1.248 13.319 1.00 0.00 O ATOM 267 OD2 ASP B 18 0.607 -1.828 12.794 1.00 0.00 O1- ATOM 0 H ASP B 18 0.359 -1.350 9.022 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.773 -2.403 10.654 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.342 -0.395 10.763 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.179 0.306 11.279 1.00 0.00 H new ATOM 272 N LYS B 19 -2.283 0.114 8.598 1.00 0.00 N ATOM 273 CA LYS B 19 -3.263 0.975 7.981 1.00 0.00 C ATOM 274 C LYS B 19 -4.334 0.193 7.229 1.00 0.00 C ATOM 275 O LYS B 19 -5.523 0.343 7.492 1.00 0.00 O ATOM 276 CB LYS B 19 -2.497 1.884 7.034 1.00 0.00 C ATOM 277 CG LYS B 19 -3.297 2.466 5.899 1.00 0.00 C ATOM 278 CD LYS B 19 -4.342 3.468 6.367 1.00 0.00 C ATOM 279 CE LYS B 19 -3.737 4.522 7.273 1.00 0.00 C ATOM 280 NZ LYS B 19 -4.727 5.561 7.662 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.346 0.218 8.208 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.796 1.542 8.744 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -2.071 2.704 7.612 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -1.662 1.322 6.615 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.621 2.954 5.197 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -3.791 1.659 5.357 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.799 3.949 5.502 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -5.137 2.944 6.897 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.342 4.045 8.170 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.896 4.995 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.271 6.261 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.086 6.035 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.518 5.114 8.169 1.00 0.00 H new ATOM 294 N LEU B 20 -3.904 -0.623 6.281 1.00 0.00 N ATOM 295 CA LEU B 20 -4.836 -1.351 5.431 1.00 0.00 C ATOM 296 C LEU B 20 -5.594 -2.419 6.211 1.00 0.00 C ATOM 297 O LEU B 20 -6.751 -2.714 5.907 1.00 0.00 O ATOM 298 CB LEU B 20 -4.118 -1.988 4.244 1.00 0.00 C ATOM 299 CG LEU B 20 -3.625 -1.020 3.170 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.001 -1.787 2.013 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.763 -0.141 2.672 1.00 0.00 C ATOM 0 H LEU B 20 -2.920 -0.799 6.080 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.557 -0.624 5.057 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.263 -2.551 4.619 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.793 -2.706 3.778 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.865 -0.376 3.612 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.654 -1.084 1.255 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.157 -2.373 2.378 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.744 -2.454 1.576 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.389 0.540 1.908 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.547 -0.767 2.247 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.169 0.434 3.504 1.00 0.00 H new ATOM 313 N ASN B 21 -4.948 -2.981 7.223 1.00 0.00 N ATOM 314 CA ASN B 21 -5.545 -4.052 8.016 1.00 0.00 C ATOM 315 C ASN B 21 -6.462 -3.474 9.093 1.00 0.00 C ATOM 316 O ASN B 21 -6.234 -3.653 10.292 1.00 0.00 O ATOM 317 CB ASN B 21 -4.445 -4.908 8.652 1.00 0.00 C ATOM 318 CG ASN B 21 -4.977 -6.136 9.370 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.978 -6.726 8.967 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.307 -6.529 10.441 1.00 0.00 N ATOM 0 H ASN B 21 -4.008 -2.714 7.516 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.145 -4.682 7.359 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.746 -5.223 7.877 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.883 -4.298 9.359 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.616 -7.348 10.964 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.481 -6.013 10.744 1.00 0.00 H new ATOM 327 N LYS B 22 -7.491 -2.764 8.660 1.00 0.00 N ATOM 328 CA LYS B 22 -8.454 -2.179 9.580 1.00 0.00 C ATOM 329 C LYS B 22 -9.861 -2.680 9.291 1.00 0.00 C ATOM 330 O LYS B 22 -10.307 -3.671 9.870 1.00 0.00 O ATOM 331 CB LYS B 22 -8.419 -0.653 9.518 1.00 0.00 C ATOM 332 CG LYS B 22 -7.164 -0.045 10.122 1.00 0.00 C ATOM 333 CD LYS B 22 -7.203 1.476 10.087 1.00 0.00 C ATOM 334 CE LYS B 22 -8.347 2.031 10.923 1.00 0.00 C ATOM 335 NZ LYS B 22 -8.216 1.679 12.362 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.681 -2.578 7.675 1.00 0.00 H new ATOM 0 HA LYS B 22 -8.174 -2.491 10.586 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.500 -0.339 8.477 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -9.291 -0.257 10.039 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -7.056 -0.383 11.153 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -6.289 -0.399 9.577 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.257 1.872 10.456 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.309 1.813 9.056 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -8.378 3.115 10.818 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -9.293 1.646 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -8.916 2.214 12.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -8.382 0.660 12.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -7.259 1.917 12.692 1.00 0.00 H new ATOM 349 N GLY B 23 -10.549 -2.009 8.379 1.00 0.00 N ATOM 350 CA GLY B 23 -11.917 -2.367 8.075 1.00 0.00 C ATOM 351 C GLY B 23 -12.135 -2.647 6.607 1.00 0.00 C ATOM 352 O GLY B 23 -13.038 -2.086 5.988 1.00 0.00 O ATOM 0 H GLY B 23 -10.183 -1.222 7.844 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -12.195 -3.248 8.654 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.578 -1.559 8.388 1.00 0.00 H new ATOM 356 N LYS B 24 -11.302 -3.501 6.040 1.00 0.00 N ATOM 357 CA LYS B 24 -11.474 -3.924 4.663 1.00 0.00 C ATOM 358 C LYS B 24 -11.806 -5.405 4.630 1.00 0.00 C ATOM 359 O LYS B 24 -12.208 -5.981 5.643 1.00 0.00 O ATOM 360 CB LYS B 24 -10.208 -3.664 3.840 1.00 0.00 C ATOM 361 CG LYS B 24 -9.618 -2.276 4.026 1.00 0.00 C ATOM 362 CD LYS B 24 -10.579 -1.183 3.582 1.00 0.00 C ATOM 363 CE LYS B 24 -10.020 0.205 3.855 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.691 0.413 3.216 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.499 -3.915 6.513 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.289 -3.347 4.225 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.455 -4.405 4.108 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.438 -3.810 2.785 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -9.362 -2.129 5.075 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -8.691 -2.197 3.457 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -10.784 -1.289 2.517 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -11.529 -1.301 4.102 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.720 0.955 3.487 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.931 0.354 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.595 1.408 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.939 0.173 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.610 -0.197 2.378 1.00 0.00 H new ATOM 378 N GLY B 25 -11.622 -6.023 3.476 1.00 0.00 N ATOM 379 CA GLY B 25 -11.901 -7.440 3.348 1.00 0.00 C ATOM 380 C GLY B 25 -10.848 -8.269 4.050 1.00 0.00 C ATOM 381 O GLY B 25 -9.961 -7.717 4.705 1.00 0.00 O ATOM 0 H GLY B 25 -11.285 -5.572 2.625 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.882 -7.660 3.769 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.939 -7.712 2.293 1.00 0.00 H new ATOM 385 N LYS B 26 -10.936 -9.587 3.930 1.00 0.00 N ATOM 386 CA LYS B 26 -9.897 -10.443 4.476 1.00 0.00 C ATOM 387 C LYS B 26 -8.618 -10.232 3.681 1.00 0.00 C ATOM 388 O LYS B 26 -8.473 -10.699 2.555 1.00 0.00 O ATOM 389 CB LYS B 26 -10.318 -11.909 4.477 1.00 0.00 C ATOM 390 CG LYS B 26 -10.698 -12.454 3.121 1.00 0.00 C ATOM 391 CD LYS B 26 -11.020 -13.930 3.208 1.00 0.00 C ATOM 392 CE LYS B 26 -12.448 -14.157 3.670 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.746 -15.597 3.874 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.702 -10.078 3.468 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.723 -10.173 5.517 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.501 -12.508 4.879 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -11.164 -12.030 5.153 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.560 -11.911 2.734 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.880 -12.296 2.418 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.873 -14.395 2.233 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.331 -14.415 3.899 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.618 -13.617 4.601 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -13.137 -13.745 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.731 -15.706 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.610 -16.110 2.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.106 -15.985 4.597 1.00 0.00 H new ATOM 407 N LEU B 27 -7.701 -9.530 4.289 1.00 0.00 N ATOM 408 CA LEU B 27 -6.601 -8.923 3.602 1.00 0.00 C ATOM 409 C LEU B 27 -5.267 -9.458 4.105 1.00 0.00 C ATOM 410 O LEU B 27 -5.000 -9.474 5.306 1.00 0.00 O ATOM 411 CB LEU B 27 -6.696 -7.416 3.815 1.00 0.00 C ATOM 412 CG LEU B 27 -5.441 -6.642 3.488 1.00 0.00 C ATOM 413 CD1 LEU B 27 -5.200 -6.614 1.990 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.522 -5.234 4.047 1.00 0.00 C ATOM 0 H LEU B 27 -7.700 -9.362 5.295 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.652 -9.161 2.540 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -7.512 -7.029 3.205 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.959 -7.228 4.856 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.596 -7.147 3.956 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.291 -6.051 1.778 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -5.090 -7.633 1.620 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -6.046 -6.137 1.494 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.609 -4.692 3.801 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.378 -4.719 3.612 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -5.637 -5.279 5.130 1.00 0.00 H new ATOM 426 N SER B 28 -4.446 -9.898 3.173 1.00 0.00 N ATOM 427 CA SER B 28 -3.121 -10.399 3.480 1.00 0.00 C ATOM 428 C SER B 28 -2.063 -9.533 2.807 1.00 0.00 C ATOM 429 O SER B 28 -2.123 -9.307 1.597 1.00 0.00 O ATOM 430 CB SER B 28 -3.002 -11.842 3.000 1.00 0.00 C ATOM 431 OG SER B 28 -3.936 -12.675 3.668 1.00 0.00 O ATOM 0 H SER B 28 -4.679 -9.918 2.180 1.00 0.00 H new ATOM 0 HA SER B 28 -2.963 -10.363 4.558 1.00 0.00 H new ATOM 0 HB2 SER B 28 -3.172 -11.887 1.924 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.990 -12.207 3.178 1.00 0.00 H new ATOM 0 HG SER B 28 -3.844 -13.595 3.344 1.00 0.00 H new ATOM 437 N LEU B 29 -1.109 -9.029 3.583 1.00 0.00 N ATOM 438 CA LEU B 29 -0.046 -8.206 3.030 1.00 0.00 C ATOM 439 C LEU B 29 1.251 -8.998 2.954 1.00 0.00 C ATOM 440 O LEU B 29 1.513 -9.871 3.782 1.00 0.00 O ATOM 441 CB LEU B 29 0.196 -6.944 3.868 1.00 0.00 C ATOM 442 CG LEU B 29 -1.008 -6.026 4.112 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.774 -5.778 2.825 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.912 -6.602 5.179 1.00 0.00 C ATOM 0 H LEU B 29 -1.052 -9.176 4.591 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.364 -7.905 2.032 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.589 -7.252 4.837 1.00 0.00 H new ATOM 0 HB3 LEU B 29 0.975 -6.358 3.380 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.635 -5.065 4.467 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.622 -5.124 3.027 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.117 -5.305 2.096 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.134 -6.727 2.427 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.760 -5.935 5.337 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.274 -7.580 4.861 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.355 -6.707 6.110 1.00 0.00 H new ATOM 456 N SER B 30 2.051 -8.688 1.956 1.00 0.00 N ATOM 457 CA SER B 30 3.350 -9.298 1.782 1.00 0.00 C ATOM 458 C SER B 30 4.350 -8.269 1.264 1.00 0.00 C ATOM 459 O SER B 30 3.971 -7.327 0.566 1.00 0.00 O ATOM 460 CB SER B 30 3.240 -10.467 0.812 1.00 0.00 C ATOM 461 OG SER B 30 2.498 -10.108 -0.343 1.00 0.00 O ATOM 0 H SER B 30 1.816 -8.002 1.239 1.00 0.00 H new ATOM 0 HA SER B 30 3.704 -9.668 2.744 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.237 -10.795 0.519 1.00 0.00 H new ATOM 0 HB3 SER B 30 2.760 -11.311 1.308 1.00 0.00 H new ATOM 0 HG SER B 30 2.171 -10.918 -0.787 1.00 0.00 H new ATOM 467 N MET B 31 5.615 -8.446 1.614 1.00 0.00 N ATOM 468 CA MET B 31 6.662 -7.515 1.213 1.00 0.00 C ATOM 469 C MET B 31 7.656 -8.181 0.268 1.00 0.00 C ATOM 470 O MET B 31 8.081 -9.313 0.498 1.00 0.00 O ATOM 471 CB MET B 31 7.398 -6.987 2.446 1.00 0.00 C ATOM 472 CG MET B 31 6.496 -6.255 3.425 1.00 0.00 C ATOM 473 SD MET B 31 7.356 -5.758 4.934 1.00 0.00 S ATOM 474 CE MET B 31 8.722 -4.810 4.266 1.00 0.00 C ATOM 0 H MET B 31 5.944 -9.230 2.178 1.00 0.00 H new ATOM 0 HA MET B 31 6.190 -6.684 0.688 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.875 -7.822 2.959 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.193 -6.314 2.124 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.083 -5.371 2.940 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.655 -6.897 3.687 1.00 0.00 H new ATOM 0 HE1 MET B 31 8.929 -3.961 4.918 1.00 0.00 H new ATOM 0 HE2 MET B 31 9.607 -5.443 4.203 1.00 0.00 H new ATOM 0 HE3 MET B 31 8.462 -4.449 3.271 1.00 0.00 H new ATOM 484 N ASN B 32 8.028 -7.467 -0.785 1.00 0.00 N ATOM 485 CA ASN B 32 9.019 -7.951 -1.749 1.00 0.00 C ATOM 486 C ASN B 32 9.859 -6.782 -2.239 1.00 0.00 C ATOM 487 O ASN B 32 9.337 -5.873 -2.873 1.00 0.00 O ATOM 488 CB ASN B 32 8.334 -8.629 -2.937 1.00 0.00 C ATOM 489 CG ASN B 32 9.332 -9.163 -3.948 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.451 -9.541 -3.597 1.00 0.00 O ATOM 491 ND2 ASN B 32 8.932 -9.207 -5.209 1.00 0.00 N ATOM 0 H ASN B 32 7.657 -6.541 -0.999 1.00 0.00 H new ATOM 0 HA ASN B 32 9.658 -8.684 -1.257 1.00 0.00 H new ATOM 0 HB2 ASN B 32 7.712 -9.448 -2.576 1.00 0.00 H new ATOM 0 HB3 ASN B 32 7.670 -7.916 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN B 32 9.559 -9.564 -5.931 1.00 0.00 H new ATOM 0 HD22 ASN B 32 7.997 -8.884 -5.459 1.00 0.00 H new ATOM 498 N GLY B 33 11.151 -6.793 -1.951 1.00 0.00 N ATOM 499 CA GLY B 33 11.946 -5.609 -2.206 1.00 0.00 C ATOM 500 C GLY B 33 11.543 -4.520 -1.250 1.00 0.00 C ATOM 501 O GLY B 33 11.831 -4.602 -0.059 1.00 0.00 O ATOM 0 H GLY B 33 11.657 -7.584 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.005 -5.837 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY B 33 11.803 -5.276 -3.234 1.00 0.00 H new ATOM 505 N ASN B 34 10.848 -3.518 -1.760 1.00 0.00 N ATOM 506 CA ASN B 34 10.204 -2.531 -0.904 1.00 0.00 C ATOM 507 C ASN B 34 8.718 -2.484 -1.224 1.00 0.00 C ATOM 508 O ASN B 34 8.014 -1.552 -0.837 1.00 0.00 O ATOM 509 CB ASN B 34 10.812 -1.132 -1.073 1.00 0.00 C ATOM 510 CG ASN B 34 12.266 -1.028 -0.631 1.00 0.00 C ATOM 511 OD1 ASN B 34 13.043 -1.969 -0.746 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.643 0.135 -0.119 1.00 0.00 N ATOM 0 H ASN B 34 10.714 -3.365 -2.759 1.00 0.00 H new ATOM 0 HA ASN B 34 10.362 -2.833 0.131 1.00 0.00 H new ATOM 0 HB2 ASN B 34 10.740 -0.841 -2.121 1.00 0.00 H new ATOM 0 HB3 ASN B 34 10.218 -0.418 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN B 34 13.605 0.267 0.193 1.00 0.00 H new ATOM 0 HD22 ASN B 34 11.971 0.898 -0.037 1.00 0.00 H new ATOM 519 N GLN B 35 8.254 -3.504 -1.941 1.00 0.00 N ATOM 520 CA GLN B 35 6.868 -3.574 -2.378 1.00 0.00 C ATOM 521 C GLN B 35 5.960 -4.020 -1.255 1.00 0.00 C ATOM 522 O GLN B 35 6.404 -4.612 -0.269 1.00 0.00 O ATOM 523 CB GLN B 35 6.696 -4.575 -3.521 1.00 0.00 C ATOM 524 CG GLN B 35 7.519 -4.279 -4.753 1.00 0.00 C ATOM 525 CD GLN B 35 7.248 -5.276 -5.865 1.00 0.00 C ATOM 526 OE1 GLN B 35 6.139 -5.798 -5.993 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.256 -5.562 -6.669 1.00 0.00 N ATOM 0 H GLN B 35 8.825 -4.298 -2.232 1.00 0.00 H new ATOM 0 HA GLN B 35 6.601 -2.570 -2.707 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.957 -5.569 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.644 -4.605 -3.803 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.296 -3.272 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.578 -4.300 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.160 -5.110 -6.533 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.130 -6.234 -7.426 1.00 0.00 H new ATOM 536 N LEU B 36 4.685 -3.760 -1.442 1.00 0.00 N ATOM 537 CA LEU B 36 3.663 -4.323 -0.593 1.00 0.00 C ATOM 538 C LEU B 36 2.560 -4.871 -1.474 1.00 0.00 C ATOM 539 O LEU B 36 1.989 -4.158 -2.299 1.00 0.00 O ATOM 540 CB LEU B 36 3.116 -3.293 0.391 1.00 0.00 C ATOM 541 CG LEU B 36 2.166 -3.859 1.449 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.449 -3.237 2.805 1.00 0.00 C ATOM 543 CD2 LEU B 36 0.717 -3.619 1.053 1.00 0.00 C ATOM 0 H LEU B 36 4.330 -3.156 -2.183 1.00 0.00 H new ATOM 0 HA LEU B 36 4.095 -5.125 0.006 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.954 -2.812 0.895 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.593 -2.518 -0.169 1.00 0.00 H new ATOM 0 HG LEU B 36 2.333 -4.934 1.516 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.764 -3.651 3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 36 3.476 -3.455 3.098 1.00 0.00 H new ATOM 0 HD13 LEU B 36 2.310 -2.157 2.746 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.058 -4.029 1.818 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.539 -2.548 0.956 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.514 -4.108 0.100 1.00 0.00 H new ATOM 555 N LYS B 37 2.283 -6.141 -1.304 1.00 0.00 N ATOM 556 CA LYS B 37 1.337 -6.840 -2.143 1.00 0.00 C ATOM 557 C LYS B 37 0.215 -7.331 -1.260 1.00 0.00 C ATOM 558 O LYS B 37 0.454 -7.707 -0.112 1.00 0.00 O ATOM 559 CB LYS B 37 2.013 -8.013 -2.864 1.00 0.00 C ATOM 560 CG LYS B 37 3.526 -7.869 -2.984 1.00 0.00 C ATOM 561 CD LYS B 37 4.116 -8.800 -4.028 1.00 0.00 C ATOM 562 CE LYS B 37 3.695 -10.252 -3.824 1.00 0.00 C ATOM 563 NZ LYS B 37 4.081 -10.782 -2.488 1.00 0.00 N1+ ATOM 0 H LYS B 37 2.707 -6.721 -0.580 1.00 0.00 H new ATOM 0 HA LYS B 37 0.948 -6.171 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS B 37 1.786 -8.936 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS B 37 1.586 -8.109 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.771 -6.838 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS B 37 3.985 -8.074 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS B 37 3.805 -8.471 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.203 -8.733 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS B 37 2.615 -10.332 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.148 -10.869 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 3.801 -11.781 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 5.111 -10.702 -2.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 3.601 -10.234 -1.745 1.00 0.00 H new ATOM 577 N ALA B 38 -0.999 -7.320 -1.764 1.00 0.00 N ATOM 578 CA ALA B 38 -2.136 -7.577 -0.915 1.00 0.00 C ATOM 579 C ALA B 38 -3.179 -8.444 -1.595 1.00 0.00 C ATOM 580 O ALA B 38 -3.405 -8.339 -2.802 1.00 0.00 O ATOM 581 CB ALA B 38 -2.738 -6.258 -0.490 1.00 0.00 C ATOM 0 H ALA B 38 -1.221 -7.139 -2.743 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.792 -8.131 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.599 -6.441 0.153 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.994 -5.678 0.056 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.056 -5.702 -1.372 1.00 0.00 H new ATOM 587 N THR B 39 -3.805 -9.305 -0.809 1.00 0.00 N ATOM 588 CA THR B 39 -4.894 -10.125 -1.283 1.00 0.00 C ATOM 589 C THR B 39 -6.077 -9.966 -0.350 1.00 0.00 C ATOM 590 O THR B 39 -5.897 -9.862 0.861 1.00 0.00 O ATOM 591 CB THR B 39 -4.488 -11.602 -1.346 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.763 -11.958 -0.160 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.641 -11.888 -2.576 1.00 0.00 C ATOM 0 H THR B 39 -3.569 -9.451 0.173 1.00 0.00 H new ATOM 0 HA THR B 39 -5.160 -9.802 -2.289 1.00 0.00 H new ATOM 0 HB THR B 39 -5.396 -12.202 -1.413 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.507 -12.903 -0.204 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.369 -12.943 -2.593 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.210 -11.646 -3.474 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.737 -11.280 -2.544 1.00 0.00 H new ATOM 601 N SER B 40 -7.279 -9.933 -0.894 1.00 0.00 N ATOM 602 CA SER B 40 -8.453 -9.735 -0.066 1.00 0.00 C ATOM 603 C SER B 40 -9.689 -10.352 -0.689 1.00 0.00 C ATOM 604 O SER B 40 -9.840 -10.377 -1.913 1.00 0.00 O ATOM 605 CB SER B 40 -8.678 -8.246 0.201 1.00 0.00 C ATOM 606 OG SER B 40 -8.651 -7.498 -1.001 1.00 0.00 O ATOM 0 H SER B 40 -7.467 -10.039 -1.891 1.00 0.00 H new ATOM 0 HA SER B 40 -8.273 -10.240 0.883 1.00 0.00 H new ATOM 0 HB2 SER B 40 -9.637 -8.104 0.698 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.909 -7.876 0.880 1.00 0.00 H new ATOM 0 HG SER B 40 -8.799 -6.550 -0.800 1.00 0.00 H new ATOM 612 N SER B 41 -10.562 -10.866 0.158 1.00 0.00 N ATOM 613 CA SER B 41 -11.831 -11.402 -0.310 1.00 0.00 C ATOM 614 C SER B 41 -12.982 -10.550 0.193 1.00 0.00 C ATOM 615 O SER B 41 -12.808 -9.717 1.089 1.00 0.00 O ATOM 616 CB SER B 41 -11.996 -12.855 0.126 1.00 0.00 C ATOM 617 OG SER B 41 -10.873 -13.633 -0.254 1.00 0.00 O ATOM 0 H SER B 41 -10.419 -10.925 1.166 1.00 0.00 H new ATOM 0 HA SER B 41 -11.838 -11.376 -1.400 1.00 0.00 H new ATOM 0 HB2 SER B 41 -12.125 -12.901 1.207 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.899 -13.272 -0.321 1.00 0.00 H new ATOM 0 HG SER B 41 -11.003 -14.559 0.038 1.00 0.00 H new ATOM 623 N ASN B 42 -14.159 -10.779 -0.380 1.00 0.00 N ATOM 624 CA ASN B 42 -15.330 -9.945 -0.133 1.00 0.00 C ATOM 625 C ASN B 42 -15.983 -10.294 1.194 1.00 0.00 C ATOM 626 O ASN B 42 -17.196 -10.487 1.283 1.00 0.00 O ATOM 627 CB ASN B 42 -16.342 -10.088 -1.275 1.00 0.00 C ATOM 628 CG ASN B 42 -15.855 -9.466 -2.570 1.00 0.00 C ATOM 629 OD1 ASN B 42 -15.178 -10.110 -3.371 1.00 0.00 O ATOM 630 ND2 ASN B 42 -16.207 -8.211 -2.793 1.00 0.00 N ATOM 0 H ASN B 42 -14.328 -11.548 -1.029 1.00 0.00 H new ATOM 0 HA ASN B 42 -14.997 -8.908 -0.085 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -16.550 -11.145 -1.440 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -17.282 -9.620 -0.983 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -15.917 -7.745 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -16.769 -7.709 -2.105 1.00 0.00 H new ATOM 637 N ALA B 43 -15.155 -10.388 2.218 1.00 0.00 N ATOM 638 CA ALA B 43 -15.618 -10.659 3.571 1.00 0.00 C ATOM 639 C ALA B 43 -16.316 -9.446 4.161 1.00 0.00 C ATOM 640 O ALA B 43 -17.486 -9.494 4.532 1.00 0.00 O ATOM 641 CB ALA B 43 -14.447 -11.060 4.447 1.00 0.00 C ATOM 0 H ALA B 43 -14.144 -10.279 2.138 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.336 -11.478 3.529 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -14.801 -11.261 5.458 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -13.979 -11.957 4.041 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.718 -10.250 4.472 1.00 0.00 H new ATOM 647 N GLY B 44 -15.567 -8.371 4.240 1.00 0.00 N ATOM 648 CA GLY B 44 -16.073 -7.125 4.777 1.00 0.00 C ATOM 649 C GLY B 44 -15.306 -5.953 4.221 1.00 0.00 C ATOM 650 O GLY B 44 -14.755 -5.150 4.966 1.00 0.00 O ATOM 0 H GLY B 44 -14.594 -8.333 3.936 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -17.131 -7.022 4.534 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -15.995 -7.134 5.864 1.00 0.00 H new ATOM 654 N TYR B 45 -15.265 -5.871 2.903 1.00 0.00 N ATOM 655 CA TYR B 45 -14.432 -4.893 2.209 1.00 0.00 C ATOM 656 C TYR B 45 -15.041 -3.499 2.222 1.00 0.00 C ATOM 657 O TYR B 45 -16.248 -3.359 2.403 1.00 0.00 O ATOM 658 CB TYR B 45 -14.241 -5.300 0.751 1.00 0.00 C ATOM 659 CG TYR B 45 -15.519 -5.152 -0.055 1.00 0.00 C ATOM 660 CD1 TYR B 45 -15.818 -3.955 -0.696 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.446 -6.181 -0.130 1.00 0.00 C ATOM 662 CE1 TYR B 45 -16.998 -3.787 -1.388 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.628 -6.025 -0.828 1.00 0.00 C ATOM 664 CZ TYR B 45 -17.901 -4.825 -1.454 1.00 0.00 C ATOM 665 OH TYR B 45 -19.084 -4.664 -2.140 1.00 0.00 O ATOM 0 H TYR B 45 -15.804 -6.475 2.282 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.480 -4.870 2.740 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.458 -4.688 0.304 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -13.902 -6.335 0.705 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.111 -3.140 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.241 -7.119 0.365 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.213 -2.848 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.336 -6.839 -0.884 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.606 -5.492 -2.090 1.00 0.00 H new ATOM 675 N GLY B 46 -14.175 -2.507 1.988 1.00 0.00 N ATOM 676 CA GLY B 46 -14.561 -1.124 1.712 1.00 0.00 C ATOM 677 C GLY B 46 -15.998 -0.743 2.035 1.00 0.00 C ATOM 678 O GLY B 46 -16.839 -0.638 1.139 1.00 0.00 O ATOM 0 H GLY B 46 -13.165 -2.649 1.986 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.899 -0.466 2.275 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.385 -0.925 0.655 1.00 0.00 H new ATOM 682 N ILE B 47 -16.291 -0.550 3.311 1.00 0.00 N ATOM 683 CA ILE B 47 -17.612 -0.124 3.726 1.00 0.00 C ATOM 684 C ILE B 47 -17.620 1.314 4.163 1.00 0.00 C ATOM 685 O ILE B 47 -18.133 2.204 3.483 1.00 0.00 O ATOM 686 CB ILE B 47 -18.074 -0.919 4.942 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.633 -2.360 4.816 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.573 -0.788 5.126 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.410 -2.693 5.640 1.00 0.00 C ATOM 0 H ILE B 47 -15.629 -0.683 4.076 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.261 -0.276 2.864 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.608 -0.511 5.839 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.453 -3.010 5.120 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.425 -2.577 3.768 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.884 -1.362 5.999 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.832 0.261 5.271 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -20.083 -1.168 4.241 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.152 -3.743 5.500 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.575 -2.069 5.321 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.620 -2.508 6.694 1.00 0.00 H new ATOM 701 N SER B 48 -17.033 1.514 5.319 1.00 0.00 N ATOM 702 CA SER B 48 -17.106 2.778 6.002 1.00 0.00 C ATOM 703 C SER B 48 -15.990 3.706 5.567 1.00 0.00 C ATOM 704 O SER B 48 -15.498 3.627 4.439 1.00 0.00 O ATOM 705 CB SER B 48 -17.054 2.537 7.512 1.00 0.00 C ATOM 706 OG SER B 48 -18.057 1.615 7.908 1.00 0.00 O ATOM 0 H SER B 48 -16.492 0.803 5.811 1.00 0.00 H new ATOM 0 HA SER B 48 -18.047 3.264 5.744 1.00 0.00 H new ATOM 0 HB2 SER B 48 -16.072 2.155 7.791 1.00 0.00 H new ATOM 0 HB3 SER B 48 -17.191 3.480 8.041 1.00 0.00 H new ATOM 0 HG SER B 48 -18.007 1.473 8.876 1.00 0.00 H new ATOM 712 N TYR B 49 -15.633 4.602 6.475 1.00 0.00 N ATOM 713 CA TYR B 49 -14.580 5.597 6.263 1.00 0.00 C ATOM 714 C TYR B 49 -15.029 6.651 5.269 1.00 0.00 C ATOM 715 O TYR B 49 -14.252 7.525 4.892 1.00 0.00 O ATOM 716 CB TYR B 49 -13.304 4.936 5.759 1.00 0.00 C ATOM 717 CG TYR B 49 -12.796 3.818 6.638 1.00 0.00 C ATOM 718 CD1 TYR B 49 -12.204 4.077 7.864 1.00 0.00 C ATOM 719 CD2 TYR B 49 -12.917 2.496 6.232 1.00 0.00 C ATOM 720 CE1 TYR B 49 -11.744 3.050 8.663 1.00 0.00 C ATOM 721 CE2 TYR B 49 -12.463 1.465 7.022 1.00 0.00 C ATOM 722 CZ TYR B 49 -11.876 1.746 8.239 1.00 0.00 C ATOM 723 OH TYR B 49 -11.419 0.720 9.033 1.00 0.00 O ATOM 0 H TYR B 49 -16.070 4.663 7.395 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.378 6.074 7.222 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.483 4.543 4.758 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.526 5.695 5.670 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.101 5.098 8.199 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -13.375 2.273 5.280 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -11.283 3.267 9.615 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -12.565 0.442 6.692 1.00 0.00 H new ATOM 0 HH TYR B 49 -12.172 0.321 9.517 1.00 0.00 H new ATOM 733 N GLU B 50 -16.301 6.571 4.897 1.00 0.00 N ATOM 734 CA GLU B 50 -16.903 7.419 3.885 1.00 0.00 C ATOM 735 C GLU B 50 -16.160 7.327 2.560 1.00 0.00 C ATOM 736 O GLU B 50 -16.565 6.591 1.658 1.00 0.00 O ATOM 737 CB GLU B 50 -16.949 8.848 4.386 1.00 0.00 C ATOM 738 CG GLU B 50 -17.834 9.008 5.599 1.00 0.00 C ATOM 739 CD GLU B 50 -17.931 10.437 6.078 1.00 0.00 C ATOM 740 OE1 GLU B 50 -18.500 11.276 5.349 1.00 0.00 O ATOM 741 OE2 GLU B 50 -17.459 10.725 7.197 1.00 0.00 O1- ATOM 0 H GLU B 50 -16.953 5.899 5.301 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.920 7.071 3.702 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -15.939 9.176 4.632 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.310 9.498 3.589 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.833 8.642 5.363 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.449 8.386 6.407 1.00 0.00 H new ATOM 748 N ASP B 51 -15.071 8.062 2.463 1.00 0.00 N ATOM 749 CA ASP B 51 -14.238 8.076 1.275 1.00 0.00 C ATOM 750 C ASP B 51 -12.922 8.764 1.605 1.00 0.00 C ATOM 751 O ASP B 51 -12.891 9.972 1.836 1.00 0.00 O ATOM 752 CB ASP B 51 -14.951 8.833 0.157 1.00 0.00 C ATOM 753 CG ASP B 51 -14.269 8.717 -1.189 1.00 0.00 C ATOM 754 OD1 ASP B 51 -13.301 9.466 -1.434 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.704 7.885 -2.016 1.00 0.00 O ATOM 0 H ASP B 51 -14.736 8.670 3.210 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.047 7.055 0.945 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.971 8.459 0.071 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.020 9.886 0.430 1.00 0.00 H new ATOM 760 N LYS B 52 -11.841 8.005 1.642 1.00 0.00 N ATOM 761 CA LYS B 52 -10.534 8.565 1.964 1.00 0.00 C ATOM 762 C LYS B 52 -9.530 8.134 0.915 1.00 0.00 C ATOM 763 O LYS B 52 -9.358 6.942 0.672 1.00 0.00 O ATOM 764 CB LYS B 52 -10.034 8.095 3.333 1.00 0.00 C ATOM 765 CG LYS B 52 -11.050 8.177 4.463 1.00 0.00 C ATOM 766 CD LYS B 52 -11.481 9.607 4.747 1.00 0.00 C ATOM 767 CE LYS B 52 -12.360 9.682 5.986 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.593 9.401 7.226 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.839 7.002 1.454 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.637 9.650 1.986 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.699 7.062 3.243 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.163 8.690 3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.925 7.580 4.206 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -10.622 7.742 5.366 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.600 10.234 4.884 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -12.024 10.003 3.889 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.809 10.673 6.053 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -13.178 8.967 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.153 9.689 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.388 8.383 7.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -10.700 9.934 7.210 1.00 0.00 H new ATOM 782 N ASN B 53 -8.876 9.091 0.295 1.00 0.00 N ATOM 783 CA ASN B 53 -7.896 8.786 -0.726 1.00 0.00 C ATOM 784 C ASN B 53 -6.501 8.971 -0.171 1.00 0.00 C ATOM 785 O ASN B 53 -6.182 10.016 0.405 1.00 0.00 O ATOM 786 CB ASN B 53 -8.065 9.683 -1.953 1.00 0.00 C ATOM 787 CG ASN B 53 -9.489 9.730 -2.467 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.904 8.889 -3.266 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.240 10.731 -2.035 1.00 0.00 N ATOM 0 H ASN B 53 -9.004 10.086 0.479 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.048 7.750 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.742 10.694 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.410 9.327 -2.748 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.201 10.827 -2.364 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -9.858 11.406 -1.373 1.00 0.00 H new ATOM 796 N TRP B 54 -5.677 7.960 -0.328 1.00 0.00 N ATOM 797 CA TRP B 54 -4.290 8.055 0.043 1.00 0.00 C ATOM 798 C TRP B 54 -3.447 7.252 -0.939 1.00 0.00 C ATOM 799 O TRP B 54 -3.955 6.355 -1.617 1.00 0.00 O ATOM 800 CB TRP B 54 -4.081 7.611 1.491 1.00 0.00 C ATOM 801 CG TRP B 54 -4.256 6.154 1.748 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.418 5.491 2.018 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.214 5.183 1.790 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.160 4.159 2.224 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.809 3.944 2.087 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.830 5.244 1.603 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.066 2.778 2.200 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.099 4.084 1.713 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.715 2.864 2.010 1.00 0.00 C ATOM 0 H TRP B 54 -5.950 7.056 -0.714 1.00 0.00 H new ATOM 0 HA TRP B 54 -3.968 9.095 -0.009 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.076 7.898 1.799 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.777 8.160 2.125 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.396 5.947 2.063 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.856 3.446 2.443 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.345 6.182 1.377 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.539 1.835 2.430 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.029 4.116 1.567 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.111 1.972 2.091 1.00 0.00 H new ATOM 820 N GLY B 55 -2.173 7.589 -1.038 1.00 0.00 N ATOM 821 CA GLY B 55 -1.343 7.023 -2.074 1.00 0.00 C ATOM 822 C GLY B 55 -0.082 6.380 -1.546 1.00 0.00 C ATOM 823 O GLY B 55 0.438 6.773 -0.498 1.00 0.00 O ATOM 0 H GLY B 55 -1.699 8.246 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.918 6.279 -2.625 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.074 7.806 -2.783 1.00 0.00 H new ATOM 827 N ILE B 56 0.391 5.372 -2.263 1.00 0.00 N ATOM 828 CA ILE B 56 1.699 4.801 -2.014 1.00 0.00 C ATOM 829 C ILE B 56 2.650 5.232 -3.123 1.00 0.00 C ATOM 830 O ILE B 56 2.222 5.461 -4.260 1.00 0.00 O ATOM 831 CB ILE B 56 1.626 3.269 -1.944 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.511 2.857 -0.988 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.960 2.694 -1.487 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.101 1.418 -1.121 1.00 0.00 C ATOM 0 H ILE B 56 -0.120 4.932 -3.028 1.00 0.00 H new ATOM 0 HA ILE B 56 2.066 5.162 -1.053 1.00 0.00 H new ATOM 0 HB ILE B 56 1.409 2.875 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.837 3.039 0.036 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.358 3.491 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.892 1.607 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.740 2.980 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.204 3.083 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.695 1.199 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.257 1.234 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.957 0.775 -0.916 1.00 0.00 H new ATOM 846 N PHE B 57 3.929 5.353 -2.798 1.00 0.00 N ATOM 847 CA PHE B 57 4.886 5.972 -3.706 1.00 0.00 C ATOM 848 C PHE B 57 6.145 5.129 -3.872 1.00 0.00 C ATOM 849 O PHE B 57 6.606 4.517 -2.918 1.00 0.00 O ATOM 850 CB PHE B 57 5.215 7.371 -3.178 1.00 0.00 C ATOM 851 CG PHE B 57 3.970 8.192 -3.031 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.448 8.867 -4.118 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.284 8.235 -1.830 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.270 9.577 -4.009 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.101 8.932 -1.720 1.00 0.00 C ATOM 856 CZ PHE B 57 1.593 9.605 -2.808 1.00 0.00 C ATOM 0 H PHE B 57 4.328 5.032 -1.916 1.00 0.00 H new ATOM 0 HA PHE B 57 4.442 6.046 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.719 7.292 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.905 7.868 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.968 8.838 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.680 7.716 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.879 10.110 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.571 8.950 -0.779 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.667 10.153 -2.721 1.00 0.00 H new ATOM 866 N VAL B 58 6.695 5.096 -5.092 1.00 0.00 N ATOM 867 CA VAL B 58 7.912 4.355 -5.355 1.00 0.00 C ATOM 868 C VAL B 58 8.879 5.241 -6.121 1.00 0.00 C ATOM 869 O VAL B 58 8.460 6.012 -6.984 1.00 0.00 O ATOM 870 CB VAL B 58 7.641 3.054 -6.138 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.198 3.343 -7.565 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.873 2.164 -6.119 1.00 0.00 C ATOM 0 H VAL B 58 6.309 5.577 -5.905 1.00 0.00 H new ATOM 0 HA VAL B 58 8.348 4.066 -4.399 1.00 0.00 H new ATOM 0 HB VAL B 58 6.823 2.527 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.016 2.403 -8.087 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.281 3.933 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.979 3.900 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.669 1.249 -6.675 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.709 2.690 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.125 1.914 -5.089 1.00 0.00 H new ATOM 882 N ASN B 59 10.165 5.149 -5.780 1.00 0.00 N ATOM 883 CA ASN B 59 11.192 6.075 -6.274 1.00 0.00 C ATOM 884 C ASN B 59 10.926 7.457 -5.704 1.00 0.00 C ATOM 885 O ASN B 59 11.656 8.407 -5.971 1.00 0.00 O ATOM 886 CB ASN B 59 11.216 6.166 -7.807 1.00 0.00 C ATOM 887 CG ASN B 59 11.155 4.822 -8.501 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.175 4.181 -8.750 1.00 0.00 O ATOM 889 ND2 ASN B 59 9.947 4.408 -8.837 1.00 0.00 N ATOM 0 H ASN B 59 10.527 4.431 -5.153 1.00 0.00 H new ATOM 0 HA ASN B 59 12.160 5.693 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.374 6.774 -8.139 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.124 6.683 -8.117 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.830 3.520 -9.325 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.131 4.976 -8.608 1.00 0.00 H new ATOM 896 N GLY B 60 9.870 7.551 -4.908 1.00 0.00 N ATOM 897 CA GLY B 60 9.415 8.822 -4.433 1.00 0.00 C ATOM 898 C GLY B 60 8.270 9.355 -5.284 1.00 0.00 C ATOM 899 O GLY B 60 7.737 10.438 -5.036 1.00 0.00 O ATOM 0 H GLY B 60 9.321 6.754 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.088 8.729 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.241 9.533 -4.444 1.00 0.00 H new ATOM 903 N GLU B 61 7.899 8.568 -6.288 1.00 0.00 N ATOM 904 CA GLU B 61 6.812 8.885 -7.205 1.00 0.00 C ATOM 905 C GLU B 61 5.593 8.074 -6.832 1.00 0.00 C ATOM 906 O GLU B 61 5.683 7.241 -5.972 1.00 0.00 O ATOM 907 CB GLU B 61 7.210 8.505 -8.618 1.00 0.00 C ATOM 908 CG GLU B 61 7.825 9.627 -9.430 1.00 0.00 C ATOM 909 CD GLU B 61 8.166 9.189 -10.838 1.00 0.00 C ATOM 910 OE1 GLU B 61 7.248 9.130 -11.686 1.00 0.00 O ATOM 911 OE2 GLU B 61 9.349 8.895 -11.102 1.00 0.00 O1- ATOM 0 H GLU B 61 8.353 7.677 -6.490 1.00 0.00 H new ATOM 0 HA GLU B 61 6.598 9.952 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.920 7.679 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.328 8.138 -9.142 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.132 10.467 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU B 61 8.728 9.982 -8.932 1.00 0.00 H new ATOM 918 N LYS B 62 4.473 8.275 -7.497 1.00 0.00 N ATOM 919 CA LYS B 62 3.296 7.452 -7.240 1.00 0.00 C ATOM 920 C LYS B 62 3.586 5.985 -7.577 1.00 0.00 C ATOM 921 O LYS B 62 4.575 5.671 -8.247 1.00 0.00 O ATOM 922 CB LYS B 62 2.105 7.972 -8.058 1.00 0.00 C ATOM 923 CG LYS B 62 0.782 7.300 -7.725 1.00 0.00 C ATOM 924 CD LYS B 62 0.241 7.786 -6.394 1.00 0.00 C ATOM 925 CE LYS B 62 -0.233 9.226 -6.486 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.455 9.358 -7.325 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.348 8.991 -8.212 1.00 0.00 H new ATOM 0 HA LYS B 62 3.045 7.514 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.006 9.045 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.316 7.829 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.057 7.507 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.918 6.219 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.585 7.148 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.016 7.703 -5.632 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.438 9.605 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.562 9.843 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -2.041 10.138 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.181 9.556 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.998 8.472 -7.289 1.00 0.00 H new ATOM 940 N VAL B 63 2.781 5.088 -7.031 1.00 0.00 N ATOM 941 CA VAL B 63 2.792 3.696 -7.454 1.00 0.00 C ATOM 942 C VAL B 63 1.431 3.054 -7.213 1.00 0.00 C ATOM 943 O VAL B 63 1.116 2.009 -7.783 1.00 0.00 O ATOM 944 CB VAL B 63 3.890 2.876 -6.732 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.559 2.664 -5.263 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.116 1.544 -7.432 1.00 0.00 C ATOM 0 H VAL B 63 2.110 5.299 -6.292 1.00 0.00 H new ATOM 0 HA VAL B 63 3.016 3.689 -8.521 1.00 0.00 H new ATOM 0 HB VAL B 63 4.814 3.452 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.353 2.085 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.471 3.630 -4.767 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.616 2.124 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.891 0.985 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.190 0.970 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.430 1.722 -8.461 1.00 0.00 H new ATOM 956 N TYR B 64 0.605 3.703 -6.401 1.00 0.00 N ATOM 957 CA TYR B 64 -0.648 3.108 -5.969 1.00 0.00 C ATOM 958 C TYR B 64 -1.595 4.192 -5.472 1.00 0.00 C ATOM 959 O TYR B 64 -1.238 4.997 -4.613 1.00 0.00 O ATOM 960 CB TYR B 64 -0.347 2.105 -4.855 1.00 0.00 C ATOM 961 CG TYR B 64 -1.386 1.031 -4.612 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.656 1.104 -5.156 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.078 -0.065 -3.813 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.590 0.118 -4.912 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.008 -1.051 -3.561 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.263 -0.954 -4.112 1.00 0.00 C ATOM 967 OH TYR B 64 -4.196 -1.928 -3.859 1.00 0.00 O ATOM 0 H TYR B 64 0.781 4.637 -6.031 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.129 2.596 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.601 1.617 -5.083 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.206 2.659 -3.927 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.920 1.945 -5.780 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.091 -0.145 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.576 0.187 -5.348 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.752 -1.893 -2.935 1.00 0.00 H new ATOM 0 HH TYR B 64 -4.973 -1.529 -3.414 1.00 0.00 H new ATOM 977 N THR B 65 -2.788 4.209 -6.034 1.00 0.00 N ATOM 978 CA THR B 65 -3.806 5.191 -5.679 1.00 0.00 C ATOM 979 C THR B 65 -5.155 4.505 -5.487 1.00 0.00 C ATOM 980 O THR B 65 -5.611 3.777 -6.371 1.00 0.00 O ATOM 981 CB THR B 65 -3.939 6.269 -6.775 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.648 6.802 -7.098 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.858 7.394 -6.322 1.00 0.00 C ATOM 0 H THR B 65 -3.083 3.545 -6.750 1.00 0.00 H new ATOM 0 HA THR B 65 -3.500 5.668 -4.748 1.00 0.00 H new ATOM 0 HB THR B 65 -4.372 5.803 -7.660 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.588 6.951 -8.065 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.935 8.141 -7.112 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.847 6.991 -6.106 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.451 7.857 -5.423 1.00 0.00 H new ATOM 991 N PHE B 66 -5.787 4.723 -4.335 1.00 0.00 N ATOM 992 CA PHE B 66 -7.036 4.076 -4.017 1.00 0.00 C ATOM 993 C PHE B 66 -7.681 4.734 -2.816 1.00 0.00 C ATOM 994 O PHE B 66 -7.195 5.739 -2.293 1.00 0.00 O ATOM 995 CB PHE B 66 -6.810 2.578 -3.781 1.00 0.00 C ATOM 996 CG PHE B 66 -5.781 2.220 -2.753 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.440 2.470 -2.964 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.165 1.586 -1.597 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.495 2.092 -2.037 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.230 1.197 -0.659 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.888 1.449 -0.880 1.00 0.00 C ATOM 0 H PHE B 66 -5.442 5.350 -3.608 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.718 4.185 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.759 2.130 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.522 2.121 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.128 2.969 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.212 1.389 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.450 2.298 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.545 0.697 0.245 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.151 1.144 -0.151 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.770 4.147 -2.397 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.643 4.731 -1.397 1.00 0.00 C ATOM 1013 C ASN B 67 -9.916 3.724 -0.289 1.00 0.00 C ATOM 1014 O ASN B 67 -9.626 2.537 -0.439 1.00 0.00 O ATOM 1015 CB ASN B 67 -10.957 5.141 -2.063 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.758 6.123 -1.239 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.543 5.738 -0.370 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.563 7.398 -1.511 1.00 0.00 N ATOM 0 H ASN B 67 -9.085 3.240 -2.740 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.163 5.607 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.742 5.583 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.559 4.251 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.073 8.114 -0.993 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.903 7.669 -2.240 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.498 4.193 0.806 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.755 3.340 1.954 1.00 0.00 C ATOM 1027 C GLU B 68 -12.082 2.605 1.801 1.00 0.00 C ATOM 1028 O GLU B 68 -12.387 1.688 2.562 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.737 4.164 3.241 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.351 4.666 3.621 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.405 3.549 4.016 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -7.835 2.893 3.119 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.229 3.317 5.231 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.801 5.160 0.922 1.00 0.00 H new ATOM 0 HA GLU B 68 -9.964 2.592 2.010 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.405 5.018 3.126 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.132 3.558 4.057 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -8.926 5.215 2.780 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.440 5.370 4.449 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.867 3.012 0.816 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.090 2.306 0.486 1.00 0.00 C ATOM 1042 C LYS B 69 -13.850 1.426 -0.727 1.00 0.00 C ATOM 1043 O LYS B 69 -14.533 0.419 -0.927 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.234 3.263 0.184 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.584 2.565 0.185 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.698 3.462 -0.312 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.046 2.778 -0.161 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.077 1.460 -0.851 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.677 3.827 0.233 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.370 1.704 1.351 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.240 4.063 0.924 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.069 3.729 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.530 1.675 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.815 2.229 1.196 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.695 4.398 0.247 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.528 3.715 -1.359 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.267 2.640 0.897 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.827 3.420 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.058 1.118 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -18.696 1.563 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.499 0.777 -0.321 1.00 0.00 H new ATOM 1062 N SER B 70 -12.884 1.823 -1.544 1.00 0.00 N ATOM 1063 CA SER B 70 -12.487 1.018 -2.668 1.00 0.00 C ATOM 1064 C SER B 70 -11.917 -0.282 -2.163 1.00 0.00 C ATOM 1065 O SER B 70 -11.374 -0.369 -1.056 1.00 0.00 O ATOM 1066 CB SER B 70 -11.464 1.738 -3.548 1.00 0.00 C ATOM 1067 OG SER B 70 -10.906 0.871 -4.514 1.00 0.00 O ATOM 0 H SER B 70 -12.368 2.697 -1.442 1.00 0.00 H new ATOM 0 HA SER B 70 -13.365 0.827 -3.285 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.942 2.581 -4.048 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.670 2.147 -2.923 1.00 0.00 H new ATOM 0 HG SER B 70 -10.258 1.363 -5.060 1.00 0.00 H new ATOM 1073 N THR B 71 -12.045 -1.284 -2.974 1.00 0.00 N ATOM 1074 CA THR B 71 -11.668 -2.609 -2.568 1.00 0.00 C ATOM 1075 C THR B 71 -10.281 -2.926 -3.122 1.00 0.00 C ATOM 1076 O THR B 71 -10.086 -3.077 -4.334 1.00 0.00 O ATOM 1077 CB THR B 71 -12.734 -3.662 -2.975 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.275 -4.492 -4.049 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.028 -2.985 -3.407 1.00 0.00 C ATOM 0 H THR B 71 -12.408 -1.214 -3.925 1.00 0.00 H new ATOM 0 HA THR B 71 -11.619 -2.653 -1.480 1.00 0.00 H new ATOM 0 HB THR B 71 -12.913 -4.281 -2.096 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.616 -4.001 -4.583 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.759 -3.743 -3.687 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.420 -2.390 -2.582 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.832 -2.337 -4.261 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.308 -2.987 -2.221 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.900 -3.016 -2.603 1.00 0.00 C ATOM 1089 C VAL B 72 -7.519 -4.306 -3.326 1.00 0.00 C ATOM 1090 O VAL B 72 -6.471 -4.374 -3.961 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.978 -2.806 -1.378 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.467 -1.639 -0.532 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.872 -4.074 -0.548 1.00 0.00 C ATOM 0 H VAL B 72 -9.469 -3.018 -1.214 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.756 -2.189 -3.299 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.980 -2.566 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.805 -1.508 0.324 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.468 -0.729 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.479 -1.843 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.218 -3.896 0.306 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.862 -4.360 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.460 -4.876 -1.160 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.381 -5.314 -3.250 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.104 -6.583 -3.897 1.00 0.00 C ATOM 1105 C GLY B 73 -7.945 -6.451 -5.397 1.00 0.00 C ATOM 1106 O GLY B 73 -6.985 -6.962 -5.980 1.00 0.00 O ATOM 0 H GLY B 73 -9.269 -5.274 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.194 -7.010 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -8.913 -7.281 -3.681 1.00 0.00 H new ATOM 1110 N ASN B 74 -8.877 -5.754 -6.026 1.00 0.00 N ATOM 1111 CA ASN B 74 -8.827 -5.551 -7.469 1.00 0.00 C ATOM 1112 C ASN B 74 -7.754 -4.534 -7.830 1.00 0.00 C ATOM 1113 O ASN B 74 -7.106 -4.637 -8.873 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.188 -5.092 -8.003 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.230 -6.174 -7.954 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -10.934 -7.359 -8.100 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.464 -5.769 -7.745 1.00 0.00 N ATOM 0 H ASN B 74 -9.676 -5.320 -5.564 1.00 0.00 H new ATOM 0 HA ASN B 74 -8.577 -6.505 -7.934 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.532 -4.237 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.073 -4.752 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.223 -6.449 -7.698 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.662 -4.775 -7.630 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.547 -3.566 -6.949 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.575 -2.511 -7.208 1.00 0.00 C ATOM 1126 C ILE B 75 -5.157 -3.070 -7.139 1.00 0.00 C ATOM 1127 O ILE B 75 -4.355 -2.885 -8.054 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.659 -1.349 -6.198 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.063 -1.180 -5.618 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.221 -0.063 -6.880 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.111 -0.184 -4.500 1.00 0.00 C ATOM 0 H ILE B 75 -8.034 -3.488 -6.056 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.811 -2.130 -8.202 1.00 0.00 H new ATOM 0 HB ILE B 75 -5.996 -1.582 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.743 -0.865 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.420 -2.144 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.278 0.763 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.195 -0.169 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.876 0.141 -7.727 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.132 -0.105 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.454 -0.510 -3.694 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.782 0.789 -4.865 1.00 0.00 H new ATOM 1143 N SER B 76 -4.870 -3.764 -6.043 1.00 0.00 N ATOM 1144 CA SER B 76 -3.535 -4.305 -5.782 1.00 0.00 C ATOM 1145 C SER B 76 -3.146 -5.308 -6.856 1.00 0.00 C ATOM 1146 O SER B 76 -1.967 -5.481 -7.161 1.00 0.00 O ATOM 1147 CB SER B 76 -3.480 -4.966 -4.397 1.00 0.00 C ATOM 1148 OG SER B 76 -2.149 -5.301 -4.035 1.00 0.00 O ATOM 0 H SER B 76 -5.551 -3.968 -5.312 1.00 0.00 H new ATOM 0 HA SER B 76 -2.824 -3.479 -5.802 1.00 0.00 H new ATOM 0 HB2 SER B 76 -3.902 -4.290 -3.653 1.00 0.00 H new ATOM 0 HB3 SER B 76 -4.096 -5.865 -4.397 1.00 0.00 H new ATOM 0 HG SER B 76 -1.959 -4.961 -3.136 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.150 -5.957 -7.428 1.00 0.00 N ATOM 1155 CA ASN B 77 -3.949 -6.883 -8.533 1.00 0.00 C ATOM 1156 C ASN B 77 -3.116 -6.231 -9.620 1.00 0.00 C ATOM 1157 O ASN B 77 -2.090 -6.761 -10.051 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.292 -7.268 -9.124 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.192 -8.448 -10.072 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.363 -9.340 -9.887 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.026 -8.456 -11.100 1.00 0.00 N ATOM 0 H ASN B 77 -5.124 -5.857 -7.140 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.433 -7.766 -8.156 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -5.984 -7.511 -8.318 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.710 -6.413 -9.656 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -5.997 -9.220 -11.775 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -6.698 -7.698 -11.217 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.576 -5.070 -10.048 1.00 0.00 N ATOM 1169 CA ASP B 78 -2.880 -4.302 -11.080 1.00 0.00 C ATOM 1170 C ASP B 78 -1.563 -3.746 -10.555 1.00 0.00 C ATOM 1171 O ASP B 78 -0.549 -3.796 -11.238 1.00 0.00 O ATOM 1172 CB ASP B 78 -3.758 -3.160 -11.601 1.00 0.00 C ATOM 1173 CG ASP B 78 -4.574 -3.557 -12.816 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -4.083 -3.384 -13.952 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -5.714 -4.038 -12.645 1.00 0.00 O1- ATOM 0 H ASP B 78 -4.429 -4.632 -9.700 1.00 0.00 H new ATOM 0 HA ASP B 78 -2.666 -4.982 -11.905 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.430 -2.833 -10.808 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.127 -2.308 -11.855 1.00 0.00 H new ATOM 1180 N ILE B 79 -1.580 -3.223 -9.339 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.376 -2.703 -8.700 1.00 0.00 C ATOM 1182 C ILE B 79 0.765 -3.722 -8.728 1.00 0.00 C ATOM 1183 O ILE B 79 1.925 -3.375 -8.938 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.677 -2.297 -7.264 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.800 -1.277 -7.290 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.558 -1.732 -6.575 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.541 -0.075 -8.177 1.00 0.00 C ATOM 0 H ILE B 79 -2.422 -3.146 -8.768 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.055 -1.827 -9.264 1.00 0.00 H new ATOM 0 HB ILE B 79 -0.980 -3.173 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.713 -1.770 -7.625 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.981 -0.929 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.308 -1.452 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.345 -2.486 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.907 -0.853 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.396 0.600 -8.134 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.649 0.447 -7.831 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.392 -0.406 -9.205 1.00 0.00 H new ATOM 1199 N ASN B 80 0.411 -4.986 -8.544 1.00 0.00 N ATOM 1200 CA ASN B 80 1.386 -6.073 -8.544 1.00 0.00 C ATOM 1201 C ASN B 80 2.033 -6.272 -9.913 1.00 0.00 C ATOM 1202 O ASN B 80 3.179 -6.715 -10.000 1.00 0.00 O ATOM 1203 CB ASN B 80 0.732 -7.381 -8.096 1.00 0.00 C ATOM 1204 CG ASN B 80 0.817 -7.594 -6.598 1.00 0.00 C ATOM 1205 OD1 ASN B 80 1.763 -8.202 -6.101 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -0.166 -7.098 -5.867 1.00 0.00 N ATOM 0 H ASN B 80 -0.551 -5.288 -8.392 1.00 0.00 H new ATOM 0 HA ASN B 80 2.169 -5.792 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.315 -7.382 -8.400 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.213 -8.216 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -0.157 -7.214 -4.854 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -0.934 -6.599 -6.316 1.00 0.00 H new ATOM 1213 N LYS B 81 1.320 -5.936 -10.985 1.00 0.00 N ATOM 1214 CA LYS B 81 1.843 -6.167 -12.327 1.00 0.00 C ATOM 1215 C LYS B 81 2.744 -5.013 -12.763 1.00 0.00 C ATOM 1216 O LYS B 81 3.325 -5.039 -13.846 1.00 0.00 O ATOM 1217 CB LYS B 81 0.703 -6.436 -13.343 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.233 -5.273 -13.651 1.00 0.00 C ATOM 1219 CD LYS B 81 0.383 -4.180 -14.526 1.00 0.00 C ATOM 1220 CE LYS B 81 0.557 -4.610 -15.980 1.00 0.00 C ATOM 1221 NZ LYS B 81 1.723 -5.512 -16.181 1.00 0.00 N1+ ATOM 0 H LYS B 81 0.394 -5.510 -10.952 1.00 0.00 H new ATOM 0 HA LYS B 81 2.456 -7.068 -12.302 1.00 0.00 H new ATOM 0 HB2 LYS B 81 1.153 -6.766 -14.279 1.00 0.00 H new ATOM 0 HB3 LYS B 81 0.103 -7.265 -12.968 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.123 -5.660 -14.147 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.561 -4.828 -12.712 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -0.249 -3.292 -14.488 1.00 0.00 H new ATOM 0 HD3 LYS B 81 1.353 -3.898 -14.117 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -0.349 -5.115 -16.315 1.00 0.00 H new ATOM 0 HE3 LYS B 81 0.677 -3.724 -16.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 2.238 -5.228 -17.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 2.357 -5.448 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 1.390 -6.492 -16.286 1.00 0.00 H new ATOM 1235 N LEU B 82 2.891 -4.024 -11.889 1.00 0.00 N ATOM 1236 CA LEU B 82 3.686 -2.837 -12.184 1.00 0.00 C ATOM 1237 C LEU B 82 5.169 -3.152 -12.170 1.00 0.00 C ATOM 1238 O LEU B 82 5.990 -2.346 -12.617 1.00 0.00 O ATOM 1239 CB LEU B 82 3.404 -1.748 -11.151 1.00 0.00 C ATOM 1240 CG LEU B 82 2.374 -0.696 -11.551 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.946 0.228 -12.614 1.00 0.00 C ATOM 1242 CD2 LEU B 82 1.094 -1.340 -12.052 1.00 0.00 C ATOM 0 H LEU B 82 2.466 -4.021 -10.962 1.00 0.00 H new ATOM 0 HA LEU B 82 3.407 -2.491 -13.179 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.067 -2.226 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU B 82 4.341 -1.241 -10.922 1.00 0.00 H new ATOM 0 HG LEU B 82 2.133 -0.111 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU B 82 2.199 0.973 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.831 0.729 -12.222 1.00 0.00 H new ATOM 0 HD13 LEU B 82 3.218 -0.355 -13.494 1.00 0.00 H new ATOM 0 HD21 LEU B 82 0.380 -0.564 -12.329 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.314 -1.958 -12.923 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.667 -1.961 -11.265 1.00 0.00 H new ATOM 1254 N ASN B 83 5.494 -4.338 -11.665 1.00 0.00 N ATOM 1255 CA ASN B 83 6.873 -4.737 -11.424 1.00 0.00 C ATOM 1256 C ASN B 83 7.591 -3.648 -10.626 1.00 0.00 C ATOM 1257 O ASN B 83 8.581 -3.065 -11.073 1.00 0.00 O ATOM 1258 CB ASN B 83 7.584 -5.017 -12.750 1.00 0.00 C ATOM 1259 CG ASN B 83 8.973 -5.606 -12.572 1.00 0.00 C ATOM 1260 OD1 ASN B 83 9.240 -6.330 -11.612 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.866 -5.297 -13.498 1.00 0.00 N ATOM 0 H ASN B 83 4.807 -5.048 -11.412 1.00 0.00 H new ATOM 0 HA ASN B 83 6.888 -5.657 -10.840 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.978 -5.704 -13.342 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.660 -4.089 -13.317 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.816 -5.662 -13.432 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.604 -4.694 -14.278 1.00 0.00 H new ATOM 1268 N ILE B 84 7.048 -3.367 -9.447 1.00 0.00 N ATOM 1269 CA ILE B 84 7.504 -2.270 -8.603 1.00 0.00 C ATOM 1270 C ILE B 84 8.964 -2.436 -8.169 1.00 0.00 C ATOM 1271 O ILE B 84 9.473 -3.550 -8.047 1.00 0.00 O ATOM 1272 CB ILE B 84 6.599 -2.180 -7.363 1.00 0.00 C ATOM 1273 CG1 ILE B 84 5.168 -1.952 -7.805 1.00 0.00 C ATOM 1274 CG2 ILE B 84 7.037 -1.064 -6.423 1.00 0.00 C ATOM 1275 CD1 ILE B 84 4.158 -2.206 -6.713 1.00 0.00 C ATOM 0 H ILE B 84 6.274 -3.898 -9.048 1.00 0.00 H new ATOM 0 HA ILE B 84 7.445 -1.352 -9.187 1.00 0.00 H new ATOM 0 HB ILE B 84 6.677 -3.119 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE B 84 5.063 -0.925 -8.156 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.949 -2.602 -8.652 1.00 0.00 H new ATOM 0 HG21 ILE B 84 6.372 -1.034 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE B 84 8.058 -1.250 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.995 -0.109 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE B 84 3.154 -2.024 -7.097 1.00 0.00 H new ATOM 0 HD12 ILE B 84 4.237 -3.240 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE B 84 4.353 -1.537 -5.875 1.00 0.00 H new ATOM 1287 N LYS B 85 9.629 -1.312 -7.961 1.00 0.00 N ATOM 1288 CA LYS B 85 11.004 -1.303 -7.471 1.00 0.00 C ATOM 1289 C LYS B 85 11.038 -0.937 -5.987 1.00 0.00 C ATOM 1290 O LYS B 85 9.994 -0.721 -5.375 1.00 0.00 O ATOM 1291 CB LYS B 85 11.839 -0.311 -8.277 1.00 0.00 C ATOM 1292 CG LYS B 85 11.852 -0.598 -9.765 1.00 0.00 C ATOM 1293 CD LYS B 85 12.846 0.293 -10.493 1.00 0.00 C ATOM 1294 CE LYS B 85 12.897 -0.023 -11.980 1.00 0.00 C ATOM 1295 NZ LYS B 85 13.355 -1.414 -12.243 1.00 0.00 N1+ ATOM 0 H LYS B 85 9.238 -0.384 -8.125 1.00 0.00 H new ATOM 0 HA LYS B 85 11.425 -2.301 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS B 85 11.452 0.695 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.863 -0.323 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS B 85 12.108 -1.644 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.854 -0.444 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS B 85 12.570 1.338 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS B 85 13.837 0.164 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS B 85 11.908 0.120 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.568 0.679 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 13.602 -1.514 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 14.191 -1.621 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.593 -2.081 -12.006 1.00 0.00 H new ATOM 1309 N GLY B 86 12.230 -0.859 -5.406 1.00 0.00 N ATOM 1310 CA GLY B 86 12.323 -0.565 -3.991 1.00 0.00 C ATOM 1311 C GLY B 86 13.450 0.388 -3.636 1.00 0.00 C ATOM 1312 O GLY B 86 14.623 0.060 -3.813 1.00 0.00 O ATOM 0 H GLY B 86 13.122 -0.992 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY B 86 11.378 -0.137 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY B 86 12.462 -1.497 -3.444 1.00 0.00 H new ATOM 1316 N MET B 87 13.093 1.576 -3.133 1.00 0.00 N ATOM 1317 CA MET B 87 14.082 2.546 -2.669 1.00 0.00 C ATOM 1318 C MET B 87 13.437 3.648 -1.819 1.00 0.00 C ATOM 1319 O MET B 87 13.819 3.829 -0.666 1.00 0.00 O ATOM 1320 CB MET B 87 14.889 3.149 -3.836 1.00 0.00 C ATOM 1321 CG MET B 87 14.110 4.067 -4.766 1.00 0.00 C ATOM 1322 SD MET B 87 12.742 3.243 -5.600 1.00 0.00 S ATOM 1323 CE MET B 87 13.655 2.155 -6.690 1.00 0.00 C ATOM 0 H MET B 87 12.126 1.885 -3.039 1.00 0.00 H new ATOM 0 HA MET B 87 14.782 2.003 -2.034 1.00 0.00 H new ATOM 0 HB2 MET B 87 15.729 3.707 -3.423 1.00 0.00 H new ATOM 0 HB3 MET B 87 15.307 2.333 -4.426 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.723 4.909 -4.193 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.789 4.476 -5.514 1.00 0.00 H new ATOM 0 HE1 MET B 87 13.176 2.134 -7.669 1.00 0.00 H new ATOM 0 HE2 MET B 87 14.677 2.519 -6.794 1.00 0.00 H new ATOM 0 HE3 MET B 87 13.669 1.149 -6.272 1.00 0.00 H new ATOM 1333 N TYR B 88 12.456 4.382 -2.356 1.00 0.00 N ATOM 1334 CA TYR B 88 11.828 5.440 -1.595 1.00 0.00 C ATOM 1335 C TYR B 88 10.322 5.283 -1.645 1.00 0.00 C ATOM 1336 O TYR B 88 9.645 5.882 -2.480 1.00 0.00 O ATOM 1337 CB TYR B 88 12.240 6.802 -2.148 1.00 0.00 C ATOM 1338 CG TYR B 88 12.071 7.936 -1.163 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.865 8.612 -1.051 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.124 8.337 -0.353 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.714 9.656 -0.160 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.979 9.379 0.545 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.772 10.035 0.635 1.00 0.00 C ATOM 1344 OH TYR B 88 11.622 11.082 1.521 1.00 0.00 O ATOM 0 H TYR B 88 12.092 4.258 -3.301 1.00 0.00 H new ATOM 0 HA TYR B 88 12.155 5.376 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.283 6.757 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.650 7.016 -3.039 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.031 8.317 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.073 7.827 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.769 10.174 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.807 9.676 1.171 1.00 0.00 H new ATOM 0 HH TYR B 88 12.461 11.222 2.007 1.00 0.00 H new ATOM 1354 N ILE B 89 9.812 4.436 -0.775 1.00 0.00 N ATOM 1355 CA ILE B 89 8.382 4.233 -0.669 1.00 0.00 C ATOM 1356 C ILE B 89 7.795 5.165 0.380 1.00 0.00 C ATOM 1357 O ILE B 89 8.213 5.138 1.539 1.00 0.00 O ATOM 1358 CB ILE B 89 8.037 2.783 -0.278 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.818 1.775 -1.124 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.540 2.542 -0.412 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.518 1.852 -2.599 1.00 0.00 C ATOM 0 H ILE B 89 10.368 3.876 -0.129 1.00 0.00 H new ATOM 0 HA ILE B 89 7.956 4.445 -1.650 1.00 0.00 H new ATOM 0 HB ILE B 89 8.327 2.639 0.763 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.885 1.937 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.595 0.769 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.311 1.514 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.001 3.225 0.245 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.235 2.714 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.110 1.107 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.458 1.659 -2.765 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.768 2.846 -2.970 1.00 0.00 H new ATOM 1373 N GLU B 90 6.846 5.994 -0.021 1.00 0.00 N ATOM 1374 CA GLU B 90 6.139 6.832 0.933 1.00 0.00 C ATOM 1375 C GLU B 90 4.716 6.342 1.095 1.00 0.00 C ATOM 1376 O GLU B 90 4.244 5.503 0.329 1.00 0.00 O ATOM 1377 CB GLU B 90 6.099 8.296 0.512 1.00 0.00 C ATOM 1378 CG GLU B 90 7.430 8.863 0.066 1.00 0.00 C ATOM 1379 CD GLU B 90 7.345 10.347 -0.208 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.282 11.131 0.765 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.325 10.740 -1.387 1.00 0.00 O1- ATOM 0 H GLU B 90 6.549 6.105 -0.991 1.00 0.00 H new ATOM 0 HA GLU B 90 6.686 6.763 1.874 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.382 8.407 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.728 8.890 1.347 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.180 8.678 0.835 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.762 8.346 -0.834 1.00 0.00 H new ATOM 1388 N ILE B 91 4.038 6.922 2.066 1.00 0.00 N ATOM 1389 CA ILE B 91 2.687 6.526 2.446 1.00 0.00 C ATOM 1390 C ILE B 91 1.980 7.728 3.055 1.00 0.00 C ATOM 1391 O ILE B 91 2.397 8.228 4.101 1.00 0.00 O ATOM 1392 CB ILE B 91 2.691 5.387 3.491 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.255 4.097 2.895 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.295 5.149 4.052 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.395 3.497 1.812 1.00 0.00 C ATOM 0 H ILE B 91 4.410 7.691 2.623 1.00 0.00 H new ATOM 0 HA ILE B 91 2.177 6.170 1.551 1.00 0.00 H new ATOM 0 HB ILE B 91 3.338 5.697 4.312 1.00 0.00 H new ATOM 0 HG12 ILE B 91 4.246 4.299 2.488 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.381 3.365 3.692 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.330 4.342 4.784 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.936 6.059 4.532 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.619 4.875 3.242 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.862 2.585 1.440 1.00 0.00 H new ATOM 0 HD12 ILE B 91 1.411 3.261 2.217 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.289 4.210 0.995 1.00 0.00 H new ATOM 1407 N LYS B 92 0.932 8.196 2.406 1.00 0.00 N ATOM 1408 CA LYS B 92 0.246 9.403 2.849 1.00 0.00 C ATOM 1409 C LYS B 92 -1.068 9.604 2.123 1.00 0.00 C ATOM 1410 O LYS B 92 -1.324 8.991 1.092 1.00 0.00 O ATOM 1411 CB LYS B 92 1.132 10.617 2.608 1.00 0.00 C ATOM 1412 CG LYS B 92 1.756 10.620 1.227 1.00 0.00 C ATOM 1413 CD LYS B 92 2.999 11.499 1.172 1.00 0.00 C ATOM 1414 CE LYS B 92 3.586 11.549 -0.232 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.815 12.385 -0.299 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.535 7.763 1.572 1.00 0.00 H new ATOM 0 HA LYS B 92 0.037 9.288 3.913 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.542 11.524 2.738 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.922 10.640 3.359 1.00 0.00 H new ATOM 0 HG2 LYS B 92 2.018 9.601 0.944 1.00 0.00 H new ATOM 0 HG3 LYS B 92 1.027 10.975 0.499 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.747 12.508 1.498 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.747 11.117 1.867 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.819 10.537 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.841 11.946 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 5.245 12.295 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.568 13.380 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.492 12.065 0.423 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.873 10.496 2.667 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.165 10.835 2.103 1.00 0.00 C ATOM 1431 C GLN B 93 -3.017 11.861 0.986 1.00 0.00 C ATOM 1432 O GLN B 93 -2.156 12.743 1.041 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.105 11.339 3.208 1.00 0.00 C ATOM 1434 CG GLN B 93 -3.449 12.293 4.201 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.244 13.691 3.655 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -4.055 14.195 2.880 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.132 14.307 4.019 1.00 0.00 N ATOM 0 H GLN B 93 -1.647 11.009 3.519 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.604 9.939 1.665 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.954 11.842 2.745 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.500 10.481 3.752 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.065 12.349 5.099 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -2.484 11.884 4.501 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -1.486 13.853 4.665 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.921 15.236 3.654 1.00 0.00 H new ATOM 1446 N ILE B 94 -3.841 11.717 -0.032 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.813 12.595 -1.185 1.00 0.00 C ATOM 1448 C ILE B 94 -5.139 13.337 -1.336 1.00 0.00 C ATOM 1449 O ILE B 94 -5.213 14.509 -0.909 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.490 11.796 -2.463 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.265 10.478 -2.464 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -1.995 11.530 -2.533 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.112 9.666 -3.731 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.110 12.748 -1.852 1.00 0.00 O ATOM 0 H ILE B 94 -4.551 10.986 -0.084 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.027 13.335 -1.031 1.00 0.00 H new ATOM 0 HB ILE B 94 -3.788 12.375 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -3.934 9.875 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.323 10.692 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -1.768 10.965 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.457 12.478 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.686 10.956 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -4.694 8.748 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.471 10.247 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.061 9.417 -3.879 1.00 0.00 H new