USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=27 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 42 ASN : amide:sc= 0 X(o=2.8,f=2.6) USER MOD Set 1.2: B 71 THR OG1 : rot -17:sc= 2.08 USER MOD Set 1.3: B 74 ASN : amide:sc= 0.734 K(o=2.8,f=1.2) USER MOD Set 2.1: B 53 ASN : amide:sc= -0.0958! C(o=-3.5!,f=-12!) USER MOD Set 2.2: B 67 ASN : amide:sc= -3.44! C(o=-3.5!,f=-14!) USER MOD Set 3.1: B 40 SER OG : rot 73:sc= -2.12! USER MOD Set 3.2: B 76 SER OG : rot -120:sc= -0.0516 USER MOD Set 4.1: B 32 ASN : amide:sc= -3.14! C(o=-8.3!,f=-3.7!) USER MOD Set 4.2: B 35 GLN : amide:sc= -5.13! C(o=-8.3!,f=-2.1!) USER MOD Set 5.1: B 14 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.37) USER MOD Set 5.2: B 31 MET CE :methyl -142:sc= 0 (180deg=0) USER MOD Set 6.1: B 19 LYS NZ :NH3+ -176:sc= -0.0418 (180deg=-0.15) USER MOD Set 6.2: B 93 GLN : amide:sc= -0.955 X(o=-1,f=-1.1) USER MOD Single : B 10 MET CE :methyl -144:sc= 0 (180deg=-0.557) USER MOD Single : B 11 ASN : amide:sc= 0.0359! X(o=0.036!,f=-0.2) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0.00292 USER MOD Single : B 17 ASN : amide:sc= -4.24! C(o=-4.2!,f=-4.3!) USER MOD Single : B 21 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.1) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 173:sc=-0.00316 (180deg=-0.0714) 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= -0.015 X(o=-0.015,f=-0.25) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : B 41 SER OG : rot -170:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ -148:sc= 1.14 (180deg=0.739) USER MOD Single : B 59 ASN : amide:sc= -3! K(o=-3!,f=-1.5) USER MOD Single : B 62 LYS NZ :NH3+ -178:sc= 0.0244! (180deg=-0.0763!) USER MOD Single : B 64 TYR OH : rot 15:sc= -1.03 USER MOD Single : B 65 THR OG1 : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ 171:sc=-0.00165 (180deg=-0.0794) USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 80 ASN : amide:sc= -0.922 K(o=-0.92,f=-0.023) USER MOD Single : B 81 LYS NZ :NH3+ -118:sc=-0.00772 (180deg=-0.133) USER MOD Single : B 83 ASN : amide:sc= 0.0594 X(o=0.059,f=-0.4) USER MOD Single : B 85 LYS NZ :NH3+ -167:sc= -0.0161 (180deg=-0.25) USER MOD Single : B 87 MET CE :methyl 137:sc= -0.292 (180deg=-0.983) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0903) USER MOD ----------------------------------------------------------------- ATOM 144 N MET B 10 11.542 -2.491 3.384 1.00 0.00 N ATOM 145 CA MET B 10 10.792 -1.290 3.664 1.00 0.00 C ATOM 146 C MET B 10 9.816 -1.443 4.831 1.00 0.00 C ATOM 147 O MET B 10 8.842 -2.185 4.772 1.00 0.00 O ATOM 148 CB MET B 10 10.088 -0.828 2.404 1.00 0.00 C ATOM 149 CG MET B 10 11.042 -0.571 1.250 1.00 0.00 C ATOM 150 SD MET B 10 12.382 0.543 1.711 1.00 0.00 S ATOM 151 CE MET B 10 13.423 0.441 0.259 1.00 0.00 C ATOM 0 HA MET B 10 11.502 -0.527 3.983 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.359 -1.581 2.105 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.533 0.085 2.619 1.00 0.00 H new ATOM 0 HG2 MET B 10 11.460 -1.518 0.908 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.490 -0.146 0.412 1.00 0.00 H new ATOM 0 HE1 MET B 10 14.470 0.490 0.558 1.00 0.00 H new ATOM 0 HE2 MET B 10 13.237 -0.501 -0.257 1.00 0.00 H new ATOM 0 HE3 MET B 10 13.197 1.272 -0.410 1.00 0.00 H new ATOM 161 N ASN B 11 10.097 -0.715 5.903 1.00 0.00 N ATOM 162 CA ASN B 11 9.230 -0.669 7.064 1.00 0.00 C ATOM 163 C ASN B 11 7.861 -0.117 6.671 1.00 0.00 C ATOM 164 O ASN B 11 6.845 -0.454 7.276 1.00 0.00 O ATOM 165 CB ASN B 11 9.863 0.213 8.148 1.00 0.00 C ATOM 166 CG ASN B 11 9.312 -0.018 9.557 1.00 0.00 C ATOM 167 OD1 ASN B 11 10.046 0.106 10.537 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.030 -0.334 9.680 1.00 0.00 N ATOM 0 H ASN B 11 10.935 -0.140 5.989 1.00 0.00 H new ATOM 0 HA ASN B 11 9.102 -1.678 7.456 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.939 0.037 8.159 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.714 1.259 7.880 1.00 0.00 H new ATOM 0 HD21 ASN B 11 7.628 -0.481 10.606 1.00 0.00 H new ATOM 0 HD22 ASN B 11 7.446 -0.430 8.849 1.00 0.00 H new ATOM 175 N SER B 12 7.844 0.690 5.616 1.00 0.00 N ATOM 176 CA SER B 12 6.637 1.384 5.190 1.00 0.00 C ATOM 177 C SER B 12 5.596 0.399 4.677 1.00 0.00 C ATOM 178 O SER B 12 4.403 0.689 4.680 1.00 0.00 O ATOM 179 CB SER B 12 6.969 2.411 4.105 1.00 0.00 C ATOM 180 OG SER B 12 7.898 3.368 4.584 1.00 0.00 O ATOM 0 H SER B 12 8.661 0.880 5.036 1.00 0.00 H new ATOM 0 HA SER B 12 6.222 1.903 6.054 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.380 1.904 3.232 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.057 2.913 3.782 1.00 0.00 H new ATOM 0 HG SER B 12 8.098 4.014 3.874 1.00 0.00 H new ATOM 186 N ILE B 13 6.051 -0.775 4.260 1.00 0.00 N ATOM 187 CA ILE B 13 5.149 -1.806 3.774 1.00 0.00 C ATOM 188 C ILE B 13 4.175 -2.192 4.875 1.00 0.00 C ATOM 189 O ILE B 13 2.971 -2.334 4.659 1.00 0.00 O ATOM 190 CB ILE B 13 5.913 -3.070 3.353 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.096 -2.709 2.453 1.00 0.00 C ATOM 192 CG2 ILE B 13 4.970 -4.046 2.661 1.00 0.00 C ATOM 193 CD1 ILE B 13 6.789 -2.706 0.968 1.00 0.00 C ATOM 0 H ILE B 13 7.037 -1.035 4.249 1.00 0.00 H new ATOM 0 HA ILE B 13 4.623 -1.401 2.909 1.00 0.00 H new ATOM 0 HB ILE B 13 6.311 -3.555 4.244 1.00 0.00 H new ATOM 0 HG12 ILE B 13 7.461 -1.722 2.736 1.00 0.00 H new ATOM 0 HG13 ILE B 13 7.905 -3.414 2.641 1.00 0.00 H new ATOM 0 HG21 ILE B 13 5.522 -4.939 2.367 1.00 0.00 H new ATOM 0 HG22 ILE B 13 4.168 -4.324 3.345 1.00 0.00 H new ATOM 0 HG23 ILE B 13 4.544 -3.574 1.775 1.00 0.00 H new ATOM 0 HD11 ILE B 13 7.687 -2.439 0.411 1.00 0.00 H new ATOM 0 HD12 ILE B 13 6.455 -3.698 0.664 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.004 -1.979 0.760 1.00 0.00 H new ATOM 205 N ASN B 14 4.731 -2.334 6.064 1.00 0.00 N ATOM 206 CA ASN B 14 3.985 -2.727 7.243 1.00 0.00 C ATOM 207 C ASN B 14 2.996 -1.635 7.620 1.00 0.00 C ATOM 208 O ASN B 14 1.900 -1.913 8.105 1.00 0.00 O ATOM 209 CB ASN B 14 4.960 -2.988 8.391 1.00 0.00 C ATOM 210 CG ASN B 14 6.086 -3.919 7.973 1.00 0.00 C ATOM 211 OD1 ASN B 14 5.999 -5.131 8.132 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.152 -3.350 7.420 1.00 0.00 N ATOM 0 H ASN B 14 5.724 -2.178 6.239 1.00 0.00 H new ATOM 0 HA ASN B 14 3.425 -3.639 7.036 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.379 -2.042 8.735 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.422 -3.423 9.233 1.00 0.00 H new ATOM 0 HD21 ASN B 14 7.935 -3.926 7.111 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.187 -2.337 7.305 1.00 0.00 H new ATOM 219 N SER B 15 3.389 -0.390 7.378 1.00 0.00 N ATOM 220 CA SER B 15 2.523 0.746 7.610 1.00 0.00 C ATOM 221 C SER B 15 1.326 0.690 6.664 1.00 0.00 C ATOM 222 O SER B 15 0.189 0.899 7.077 1.00 0.00 O ATOM 223 CB SER B 15 3.301 2.045 7.405 1.00 0.00 C ATOM 224 OG SER B 15 4.578 1.976 8.018 1.00 0.00 O ATOM 0 H SER B 15 4.312 -0.147 7.018 1.00 0.00 H new ATOM 0 HA SER B 15 2.159 0.714 8.637 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.416 2.240 6.339 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.738 2.880 7.823 1.00 0.00 H new ATOM 0 HG SER B 15 5.057 2.818 7.871 1.00 0.00 H new ATOM 230 N VAL B 16 1.594 0.386 5.394 1.00 0.00 N ATOM 231 CA VAL B 16 0.539 0.216 4.396 1.00 0.00 C ATOM 232 C VAL B 16 -0.384 -0.927 4.799 1.00 0.00 C ATOM 233 O VAL B 16 -1.609 -0.817 4.716 1.00 0.00 O ATOM 234 CB VAL B 16 1.118 -0.090 2.995 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.008 -0.294 1.976 1.00 0.00 C ATOM 236 CG2 VAL B 16 2.059 1.011 2.538 1.00 0.00 C ATOM 0 H VAL B 16 2.538 0.252 5.031 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.014 1.154 4.350 1.00 0.00 H new ATOM 0 HB VAL B 16 1.687 -1.016 3.072 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.445 -0.507 1.000 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.619 -1.131 2.284 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.598 0.610 1.912 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.450 0.768 1.550 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.518 1.956 2.492 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.885 1.100 3.244 1.00 0.00 H new ATOM 246 N ASN B 17 0.229 -2.016 5.250 1.00 0.00 N ATOM 247 CA ASN B 17 -0.492 -3.209 5.669 1.00 0.00 C ATOM 248 C ASN B 17 -1.506 -2.859 6.752 1.00 0.00 C ATOM 249 O ASN B 17 -2.635 -3.343 6.741 1.00 0.00 O ATOM 250 CB ASN B 17 0.495 -4.247 6.211 1.00 0.00 C ATOM 251 CG ASN B 17 0.022 -5.683 6.047 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.833 -6.608 6.031 1.00 0.00 O ATOM 253 ND2 ASN B 17 -1.275 -5.889 5.896 1.00 0.00 N ATOM 0 H ASN B 17 1.242 -2.095 5.335 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.018 -3.621 4.808 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.451 -4.128 5.701 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.672 -4.050 7.268 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.629 -6.836 5.761 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.922 -5.101 5.914 1.00 0.00 H new ATOM 260 N ASP B 18 -1.088 -2.008 7.678 1.00 0.00 N ATOM 261 CA ASP B 18 -1.933 -1.592 8.785 1.00 0.00 C ATOM 262 C ASP B 18 -2.923 -0.519 8.348 1.00 0.00 C ATOM 263 O ASP B 18 -4.066 -0.496 8.806 1.00 0.00 O ATOM 264 CB ASP B 18 -1.068 -1.060 9.923 1.00 0.00 C ATOM 265 CG ASP B 18 -1.137 -1.930 11.156 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.364 -2.902 11.240 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 -1.965 -1.648 12.047 1.00 0.00 O ATOM 0 H ASP B 18 -0.158 -1.589 7.682 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.497 -2.459 9.127 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.033 -0.992 9.588 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.388 -0.049 10.177 1.00 0.00 H new ATOM 272 N LYS B 19 -2.471 0.376 7.476 1.00 0.00 N ATOM 273 CA LYS B 19 -3.284 1.450 6.966 1.00 0.00 C ATOM 274 C LYS B 19 -4.516 0.926 6.234 1.00 0.00 C ATOM 275 O LYS B 19 -5.621 1.437 6.406 1.00 0.00 O ATOM 276 CB LYS B 19 -2.418 2.243 6.008 1.00 0.00 C ATOM 277 CG LYS B 19 -2.562 3.735 6.133 1.00 0.00 C ATOM 278 CD LYS B 19 -3.980 4.209 5.840 1.00 0.00 C ATOM 279 CE LYS B 19 -4.374 4.000 4.387 1.00 0.00 C ATOM 280 NZ LYS B 19 -5.759 4.469 4.117 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.520 0.368 7.106 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.642 2.066 7.791 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.374 1.975 6.174 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.664 1.950 4.987 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.281 4.041 7.141 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.870 4.223 5.447 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.679 3.674 6.483 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.065 5.267 6.088 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -3.677 4.534 3.741 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -4.293 2.942 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -6.015 4.248 3.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -6.419 3.991 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -5.813 5.497 4.266 1.00 0.00 H new ATOM 294 N LEU B 20 -4.314 -0.093 5.418 1.00 0.00 N ATOM 295 CA LEU B 20 -5.379 -0.641 4.588 1.00 0.00 C ATOM 296 C LEU B 20 -6.238 -1.643 5.353 1.00 0.00 C ATOM 297 O LEU B 20 -6.815 -2.563 4.772 1.00 0.00 O ATOM 298 CB LEU B 20 -4.784 -1.286 3.342 1.00 0.00 C ATOM 299 CG LEU B 20 -4.044 -0.324 2.413 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.536 -1.050 1.178 1.00 0.00 C ATOM 301 CD2 LEU B 20 -4.948 0.832 2.021 1.00 0.00 C ATOM 0 H LEU B 20 -3.415 -0.563 5.310 1.00 0.00 H new ATOM 0 HA LEU B 20 -6.031 0.181 4.292 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -4.095 -2.072 3.651 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.585 -1.766 2.781 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.183 0.076 2.948 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.013 -0.346 0.531 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.852 -1.844 1.478 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.378 -1.482 0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.407 1.509 1.359 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.828 0.447 1.506 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.258 1.371 2.916 1.00 0.00 H new ATOM 313 N ASN B 21 -6.323 -1.454 6.659 1.00 0.00 N ATOM 314 CA ASN B 21 -7.194 -2.261 7.501 1.00 0.00 C ATOM 315 C ASN B 21 -8.430 -1.439 7.869 1.00 0.00 C ATOM 316 O ASN B 21 -9.035 -1.616 8.924 1.00 0.00 O ATOM 317 CB ASN B 21 -6.442 -2.712 8.759 1.00 0.00 C ATOM 318 CG ASN B 21 -7.078 -3.908 9.437 1.00 0.00 C ATOM 319 OD1 ASN B 21 -7.945 -3.771 10.296 1.00 0.00 O ATOM 320 ND2 ASN B 21 -6.635 -5.093 9.067 1.00 0.00 N ATOM 0 H ASN B 21 -5.795 -0.742 7.164 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.508 -3.154 6.961 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.414 -2.958 8.492 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -6.398 -1.883 9.465 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -7.014 -5.936 9.498 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.914 -5.167 8.350 1.00 0.00 H new ATOM 327 N LYS B 22 -8.798 -0.533 6.972 1.00 0.00 N ATOM 328 CA LYS B 22 -9.891 0.398 7.209 1.00 0.00 C ATOM 329 C LYS B 22 -10.983 0.204 6.172 1.00 0.00 C ATOM 330 O LYS B 22 -11.336 1.120 5.435 1.00 0.00 O ATOM 331 CB LYS B 22 -9.376 1.832 7.179 1.00 0.00 C ATOM 332 CG LYS B 22 -8.284 2.086 8.200 1.00 0.00 C ATOM 333 CD LYS B 22 -7.749 3.504 8.114 1.00 0.00 C ATOM 334 CE LYS B 22 -8.804 4.519 8.520 1.00 0.00 C ATOM 335 NZ LYS B 22 -8.304 5.915 8.407 1.00 0.00 N1+ ATOM 0 H LYS B 22 -8.348 -0.424 6.063 1.00 0.00 H new ATOM 0 HA LYS B 22 -10.312 0.200 8.195 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.995 2.055 6.183 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -10.205 2.515 7.363 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -8.674 1.905 9.202 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -7.469 1.380 8.043 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -6.877 3.605 8.760 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.418 3.709 7.096 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -9.686 4.397 7.891 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -9.116 4.327 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -9.054 6.577 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -7.478 6.039 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -8.030 6.107 7.422 1.00 0.00 H new ATOM 349 N GLY B 23 -11.488 -1.009 6.114 1.00 0.00 N ATOM 350 CA GLY B 23 -12.554 -1.340 5.189 1.00 0.00 C ATOM 351 C GLY B 23 -12.692 -2.826 5.008 1.00 0.00 C ATOM 352 O GLY B 23 -12.764 -3.292 3.881 1.00 0.00 O ATOM 0 H GLY B 23 -11.178 -1.786 6.698 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -13.495 -0.929 5.556 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.357 -0.873 4.224 1.00 0.00 H new ATOM 356 N LYS B 24 -12.701 -3.549 6.137 1.00 0.00 N ATOM 357 CA LYS B 24 -13.027 -4.973 6.214 1.00 0.00 C ATOM 358 C LYS B 24 -12.162 -5.888 5.342 1.00 0.00 C ATOM 359 O LYS B 24 -11.478 -6.764 5.867 1.00 0.00 O ATOM 360 CB LYS B 24 -14.488 -5.152 5.874 1.00 0.00 C ATOM 361 CG LYS B 24 -15.411 -4.343 6.761 1.00 0.00 C ATOM 362 CD LYS B 24 -15.297 -4.746 8.225 1.00 0.00 C ATOM 363 CE LYS B 24 -16.131 -3.844 9.121 1.00 0.00 C ATOM 364 NZ LYS B 24 -17.582 -3.932 8.811 1.00 0.00 N1+ ATOM 0 H LYS B 24 -12.475 -3.144 7.045 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.810 -5.284 7.236 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.650 -4.866 4.835 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.747 -6.207 5.958 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -15.176 -3.284 6.658 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -16.441 -4.475 6.428 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -15.622 -5.780 8.345 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.253 -4.702 8.535 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.967 -4.118 10.163 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -15.798 -2.812 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -18.122 -3.395 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -17.760 -3.535 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.881 -4.928 8.830 1.00 0.00 H new ATOM 378 N GLY B 25 -12.246 -5.697 4.028 1.00 0.00 N ATOM 379 CA GLY B 25 -11.545 -6.517 3.050 1.00 0.00 C ATOM 380 C GLY B 25 -10.164 -6.941 3.508 1.00 0.00 C ATOM 381 O GLY B 25 -9.237 -6.130 3.541 1.00 0.00 O ATOM 0 H GLY B 25 -12.811 -4.958 3.609 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.139 -7.406 2.838 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.457 -5.962 2.116 1.00 0.00 H new ATOM 385 N LYS B 26 -10.041 -8.207 3.879 1.00 0.00 N ATOM 386 CA LYS B 26 -8.793 -8.741 4.406 1.00 0.00 C ATOM 387 C LYS B 26 -7.688 -8.689 3.367 1.00 0.00 C ATOM 388 O LYS B 26 -7.876 -9.100 2.222 1.00 0.00 O ATOM 389 CB LYS B 26 -8.988 -10.169 4.917 1.00 0.00 C ATOM 390 CG LYS B 26 -9.831 -11.057 4.019 1.00 0.00 C ATOM 391 CD LYS B 26 -10.182 -12.355 4.725 1.00 0.00 C ATOM 392 CE LYS B 26 -10.965 -13.298 3.827 1.00 0.00 C ATOM 393 NZ LYS B 26 -11.447 -14.493 4.563 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.797 -8.889 3.824 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.491 -8.114 5.245 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -8.009 -10.631 5.045 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -9.452 -10.127 5.902 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.744 -10.533 3.735 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.288 -11.273 3.099 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.267 -12.846 5.056 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.767 -12.135 5.618 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.816 -12.768 3.399 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.335 -13.614 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -11.976 -15.110 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.634 -15.013 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.069 -14.194 5.341 1.00 0.00 H new ATOM 407 N LEU B 27 -6.535 -8.192 3.782 1.00 0.00 N ATOM 408 CA LEU B 27 -5.431 -7.951 2.894 1.00 0.00 C ATOM 409 C LEU B 27 -4.108 -8.201 3.621 1.00 0.00 C ATOM 410 O LEU B 27 -3.670 -7.402 4.450 1.00 0.00 O ATOM 411 CB LEU B 27 -5.522 -6.516 2.374 1.00 0.00 C ATOM 412 CG LEU B 27 -4.210 -5.911 1.911 1.00 0.00 C ATOM 413 CD1 LEU B 27 -3.639 -6.681 0.734 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.392 -4.448 1.555 1.00 0.00 C ATOM 0 H LEU B 27 -6.346 -7.946 4.754 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.473 -8.635 2.046 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.228 -6.492 1.544 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.935 -5.887 3.162 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.499 -5.979 2.734 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.699 -6.226 0.423 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.461 -7.716 1.028 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.346 -6.656 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.440 -4.033 1.225 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.125 -4.357 0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.743 -3.901 2.430 1.00 0.00 H new ATOM 426 N SER B 28 -3.490 -9.324 3.309 1.00 0.00 N ATOM 427 CA SER B 28 -2.231 -9.706 3.915 1.00 0.00 C ATOM 428 C SER B 28 -1.070 -9.362 2.993 1.00 0.00 C ATOM 429 O SER B 28 -0.963 -9.909 1.897 1.00 0.00 O ATOM 430 CB SER B 28 -2.245 -11.206 4.214 1.00 0.00 C ATOM 431 OG SER B 28 -3.277 -11.527 5.135 1.00 0.00 O ATOM 0 H SER B 28 -3.847 -9.996 2.629 1.00 0.00 H new ATOM 0 HA SER B 28 -2.101 -9.154 4.846 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.390 -11.764 3.289 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.281 -11.509 4.621 1.00 0.00 H new ATOM 0 HG SER B 28 -3.270 -12.491 5.311 1.00 0.00 H new ATOM 437 N LEU B 29 -0.214 -8.446 3.429 1.00 0.00 N ATOM 438 CA LEU B 29 0.922 -8.021 2.626 1.00 0.00 C ATOM 439 C LEU B 29 2.140 -8.887 2.882 1.00 0.00 C ATOM 440 O LEU B 29 2.200 -9.656 3.843 1.00 0.00 O ATOM 441 CB LEU B 29 1.292 -6.564 2.911 1.00 0.00 C ATOM 442 CG LEU B 29 0.511 -5.499 2.135 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.957 -5.531 2.499 1.00 0.00 C ATOM 444 CD2 LEU B 29 1.091 -4.119 2.397 1.00 0.00 C ATOM 0 H LEU B 29 -0.286 -7.984 4.335 1.00 0.00 H new ATOM 0 HA LEU B 29 0.619 -8.123 1.584 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.156 -6.379 3.977 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.353 -6.433 2.698 1.00 0.00 H new ATOM 0 HG LEU B 29 0.602 -5.721 1.072 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.489 -4.765 1.934 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.370 -6.511 2.259 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.072 -5.340 3.566 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.525 -3.374 1.838 1.00 0.00 H new ATOM 0 HD22 LEU B 29 1.032 -3.896 3.462 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.133 -4.096 2.079 1.00 0.00 H new ATOM 456 N SER B 30 3.099 -8.750 1.994 1.00 0.00 N ATOM 457 CA SER B 30 4.381 -9.387 2.103 1.00 0.00 C ATOM 458 C SER B 30 5.441 -8.488 1.481 1.00 0.00 C ATOM 459 O SER B 30 5.198 -7.840 0.460 1.00 0.00 O ATOM 460 CB SER B 30 4.352 -10.721 1.409 1.00 0.00 C ATOM 461 OG SER B 30 3.411 -11.598 2.007 1.00 0.00 O ATOM 0 H SER B 30 3.001 -8.176 1.156 1.00 0.00 H new ATOM 0 HA SER B 30 4.621 -9.550 3.154 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.102 -10.580 0.357 1.00 0.00 H new ATOM 0 HB3 SER B 30 5.344 -11.172 1.443 1.00 0.00 H new ATOM 0 HG SER B 30 3.415 -12.455 1.532 1.00 0.00 H new ATOM 467 N MET B 31 6.608 -8.453 2.089 1.00 0.00 N ATOM 468 CA MET B 31 7.636 -7.497 1.707 1.00 0.00 C ATOM 469 C MET B 31 8.821 -8.200 1.083 1.00 0.00 C ATOM 470 O MET B 31 9.477 -9.016 1.728 1.00 0.00 O ATOM 471 CB MET B 31 8.120 -6.713 2.931 1.00 0.00 C ATOM 472 CG MET B 31 7.052 -6.477 3.991 1.00 0.00 C ATOM 473 SD MET B 31 6.722 -7.938 5.003 1.00 0.00 S ATOM 474 CE MET B 31 5.297 -7.382 5.938 1.00 0.00 C ATOM 0 H MET B 31 6.873 -9.076 2.852 1.00 0.00 H new ATOM 0 HA MET B 31 7.196 -6.814 0.980 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.953 -7.250 3.385 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.505 -5.749 2.600 1.00 0.00 H new ATOM 0 HG2 MET B 31 7.365 -5.658 4.638 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.129 -6.163 3.504 1.00 0.00 H new ATOM 0 HE1 MET B 31 5.363 -7.758 6.959 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.274 -6.292 5.953 1.00 0.00 H new ATOM 0 HE3 MET B 31 4.386 -7.758 5.471 1.00 0.00 H new ATOM 484 N ASN B 32 9.097 -7.896 -0.173 1.00 0.00 N ATOM 485 CA ASN B 32 10.306 -8.394 -0.800 1.00 0.00 C ATOM 486 C ASN B 32 10.917 -7.322 -1.693 1.00 0.00 C ATOM 487 O ASN B 32 11.071 -7.521 -2.896 1.00 0.00 O ATOM 488 CB ASN B 32 10.014 -9.669 -1.597 1.00 0.00 C ATOM 489 CG ASN B 32 11.279 -10.435 -1.942 1.00 0.00 C ATOM 490 OD1 ASN B 32 12.302 -10.310 -1.267 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.209 -11.266 -2.969 1.00 0.00 N ATOM 0 H ASN B 32 8.509 -7.315 -0.771 1.00 0.00 H new ATOM 0 HA ASN B 32 11.026 -8.642 -0.021 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.349 -10.311 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.488 -9.408 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.019 -11.830 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN B 32 10.345 -11.343 -3.505 1.00 0.00 H new ATOM 498 N GLY B 33 11.252 -6.187 -1.067 1.00 0.00 N ATOM 499 CA GLY B 33 11.976 -5.097 -1.719 1.00 0.00 C ATOM 500 C GLY B 33 11.407 -4.653 -3.053 1.00 0.00 C ATOM 501 O GLY B 33 10.606 -3.724 -3.120 1.00 0.00 O ATOM 0 H GLY B 33 11.026 -6.001 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY B 33 11.994 -4.240 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.010 -5.407 -1.868 1.00 0.00 H new ATOM 505 N ASN B 34 11.841 -5.322 -4.111 1.00 0.00 N ATOM 506 CA ASN B 34 11.483 -4.961 -5.475 1.00 0.00 C ATOM 507 C ASN B 34 9.996 -5.167 -5.738 1.00 0.00 C ATOM 508 O ASN B 34 9.474 -4.679 -6.738 1.00 0.00 O ATOM 509 CB ASN B 34 12.292 -5.798 -6.469 1.00 0.00 C ATOM 510 CG ASN B 34 13.790 -5.687 -6.256 1.00 0.00 C ATOM 511 OD1 ASN B 34 14.368 -6.418 -5.455 1.00 0.00 O ATOM 512 ND2 ASN B 34 14.434 -4.788 -6.983 1.00 0.00 N ATOM 0 H ASN B 34 12.454 -6.134 -4.047 1.00 0.00 H new ATOM 0 HA ASN B 34 11.712 -3.903 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN B 34 11.995 -6.843 -6.382 1.00 0.00 H new ATOM 0 HB3 ASN B 34 12.050 -5.481 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN B 34 15.444 -4.684 -6.888 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.920 -4.199 -7.638 1.00 0.00 H new ATOM 519 N GLN B 35 9.322 -5.908 -4.863 1.00 0.00 N ATOM 520 CA GLN B 35 7.909 -6.154 -5.023 1.00 0.00 C ATOM 521 C GLN B 35 7.134 -5.928 -3.745 1.00 0.00 C ATOM 522 O GLN B 35 7.620 -6.162 -2.633 1.00 0.00 O ATOM 523 CB GLN B 35 7.680 -7.577 -5.487 1.00 0.00 C ATOM 524 CG GLN B 35 8.454 -8.593 -4.692 1.00 0.00 C ATOM 525 CD GLN B 35 8.496 -9.949 -5.369 1.00 0.00 C ATOM 526 OE1 GLN B 35 7.536 -10.365 -6.017 1.00 0.00 O ATOM 527 NE2 GLN B 35 9.628 -10.624 -5.271 1.00 0.00 N ATOM 0 H GLN B 35 9.739 -6.344 -4.040 1.00 0.00 H new ATOM 0 HA GLN B 35 7.548 -5.444 -5.767 1.00 0.00 H new ATOM 0 HB2 GLN B 35 6.617 -7.807 -5.420 1.00 0.00 H new ATOM 0 HB3 GLN B 35 7.959 -7.659 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.472 -8.234 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.004 -8.697 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.402 -10.246 -4.724 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.728 -11.523 -5.742 1.00 0.00 H new ATOM 536 N LEU B 36 5.907 -5.511 -3.942 1.00 0.00 N ATOM 537 CA LEU B 36 4.937 -5.417 -2.879 1.00 0.00 C ATOM 538 C LEU B 36 3.869 -6.446 -3.133 1.00 0.00 C ATOM 539 O LEU B 36 2.987 -6.276 -3.978 1.00 0.00 O ATOM 540 CB LEU B 36 4.336 -4.021 -2.776 1.00 0.00 C ATOM 541 CG LEU B 36 3.092 -3.901 -1.884 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.371 -4.429 -0.485 1.00 0.00 C ATOM 543 CD2 LEU B 36 2.623 -2.454 -1.822 1.00 0.00 C ATOM 0 H LEU B 36 5.551 -5.225 -4.854 1.00 0.00 H new ATOM 0 HA LEU B 36 5.428 -5.607 -1.925 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.100 -3.342 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.077 -3.681 -3.779 1.00 0.00 H new ATOM 0 HG LEU B 36 2.300 -4.508 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.474 -4.332 0.126 1.00 0.00 H new ATOM 0 HD12 LEU B 36 3.659 -5.479 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.181 -3.855 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.740 -2.385 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.417 -1.831 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.375 -2.109 -2.826 1.00 0.00 H new ATOM 555 N LYS B 37 3.982 -7.518 -2.403 1.00 0.00 N ATOM 556 CA LYS B 37 3.153 -8.679 -2.615 1.00 0.00 C ATOM 557 C LYS B 37 2.068 -8.706 -1.550 1.00 0.00 C ATOM 558 O LYS B 37 2.271 -8.176 -0.459 1.00 0.00 O ATOM 559 CB LYS B 37 4.019 -9.938 -2.552 1.00 0.00 C ATOM 560 CG LYS B 37 5.337 -9.833 -3.332 1.00 0.00 C ATOM 561 CD LYS B 37 6.153 -11.110 -3.227 1.00 0.00 C ATOM 562 CE LYS B 37 6.492 -11.444 -1.781 1.00 0.00 C ATOM 563 NZ LYS B 37 7.241 -12.722 -1.651 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.652 -7.616 -1.641 1.00 0.00 H new ATOM 0 HA LYS B 37 2.681 -8.639 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.244 -10.159 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.446 -10.780 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.124 -9.622 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS B 37 5.921 -8.995 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.596 -11.935 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.073 -11.002 -3.801 1.00 0.00 H new ATOM 0 HE2 LYS B 37 7.084 -10.635 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.571 -11.506 -1.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 7.447 -12.903 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.667 -13.501 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 8.133 -12.657 -2.181 1.00 0.00 H new ATOM 577 N ALA B 38 0.925 -9.305 -1.856 1.00 0.00 N ATOM 578 CA ALA B 38 -0.207 -9.280 -0.940 1.00 0.00 C ATOM 579 C ALA B 38 -1.357 -10.154 -1.429 1.00 0.00 C ATOM 580 O ALA B 38 -1.471 -10.437 -2.623 1.00 0.00 O ATOM 581 CB ALA B 38 -0.691 -7.850 -0.755 1.00 0.00 C ATOM 0 H ALA B 38 0.758 -9.811 -2.726 1.00 0.00 H new ATOM 0 HA ALA B 38 0.133 -9.683 0.014 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.538 -7.838 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.116 -7.243 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.999 -7.443 -1.718 1.00 0.00 H new ATOM 587 N THR B 39 -2.200 -10.575 -0.491 1.00 0.00 N ATOM 588 CA THR B 39 -3.396 -11.340 -0.802 1.00 0.00 C ATOM 589 C THR B 39 -4.619 -10.667 -0.189 1.00 0.00 C ATOM 590 O THR B 39 -4.527 -10.085 0.890 1.00 0.00 O ATOM 591 CB THR B 39 -3.279 -12.777 -0.269 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.563 -12.778 0.978 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.574 -13.678 -1.270 1.00 0.00 C ATOM 0 H THR B 39 -2.071 -10.394 0.504 1.00 0.00 H new ATOM 0 HA THR B 39 -3.505 -11.377 -1.886 1.00 0.00 H new ATOM 0 HB THR B 39 -4.285 -13.165 -0.112 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.493 -13.696 1.314 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.506 -14.688 -0.866 1.00 0.00 H new ATOM 0 HG22 THR B 39 -3.138 -13.698 -2.202 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.571 -13.295 -1.461 1.00 0.00 H new ATOM 601 N SER B 40 -5.759 -10.726 -0.863 1.00 0.00 N ATOM 602 CA SER B 40 -6.942 -10.025 -0.379 1.00 0.00 C ATOM 603 C SER B 40 -8.230 -10.791 -0.646 1.00 0.00 C ATOM 604 O SER B 40 -8.327 -11.568 -1.599 1.00 0.00 O ATOM 605 CB SER B 40 -7.043 -8.654 -1.034 1.00 0.00 C ATOM 606 OG SER B 40 -5.838 -7.936 -0.889 1.00 0.00 O ATOM 0 H SER B 40 -5.891 -11.243 -1.733 1.00 0.00 H new ATOM 0 HA SER B 40 -6.826 -9.929 0.700 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.277 -8.769 -2.092 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.862 -8.092 -0.585 1.00 0.00 H new ATOM 0 HG SER B 40 -5.156 -8.319 -1.479 1.00 0.00 H new ATOM 612 N SER B 41 -9.212 -10.571 0.219 1.00 0.00 N ATOM 613 CA SER B 41 -10.565 -11.055 -0.010 1.00 0.00 C ATOM 614 C SER B 41 -11.578 -9.990 0.376 1.00 0.00 C ATOM 615 O SER B 41 -11.289 -9.096 1.171 1.00 0.00 O ATOM 616 CB SER B 41 -10.821 -12.336 0.764 1.00 0.00 C ATOM 617 OG SER B 41 -9.842 -13.320 0.472 1.00 0.00 O ATOM 0 H SER B 41 -9.094 -10.056 1.092 1.00 0.00 H new ATOM 0 HA SER B 41 -10.674 -11.274 -1.072 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.819 -12.124 1.833 1.00 0.00 H new ATOM 0 HB3 SER B 41 -11.811 -12.721 0.518 1.00 0.00 H new ATOM 0 HG SER B 41 -10.116 -14.179 0.857 1.00 0.00 H new ATOM 623 N ASN B 42 -12.770 -10.110 -0.174 1.00 0.00 N ATOM 624 CA ASN B 42 -13.799 -9.104 -0.009 1.00 0.00 C ATOM 625 C ASN B 42 -14.904 -9.638 0.876 1.00 0.00 C ATOM 626 O ASN B 42 -16.087 -9.500 0.574 1.00 0.00 O ATOM 627 CB ASN B 42 -14.366 -8.665 -1.364 1.00 0.00 C ATOM 628 CG ASN B 42 -13.338 -7.963 -2.233 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.160 -6.748 -2.145 1.00 0.00 O ATOM 630 ND2 ASN B 42 -12.666 -8.723 -3.081 1.00 0.00 N ATOM 0 H ASN B 42 -13.052 -10.906 -0.746 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.352 -8.230 0.465 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.747 -9.538 -1.893 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.212 -7.998 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -11.967 -8.306 -3.696 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -12.846 -9.726 -3.120 1.00 0.00 H new ATOM 637 N ALA B 43 -14.489 -10.252 1.974 1.00 0.00 N ATOM 638 CA ALA B 43 -15.410 -10.822 2.966 1.00 0.00 C ATOM 639 C ALA B 43 -16.178 -9.746 3.747 1.00 0.00 C ATOM 640 O ALA B 43 -16.651 -9.989 4.858 1.00 0.00 O ATOM 641 CB ALA B 43 -14.648 -11.719 3.925 1.00 0.00 C ATOM 0 H ALA B 43 -13.504 -10.373 2.209 1.00 0.00 H new ATOM 0 HA ALA B 43 -16.149 -11.408 2.419 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -15.338 -12.138 4.658 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -14.175 -12.528 3.368 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.883 -11.136 4.439 1.00 0.00 H new ATOM 647 N GLY B 44 -16.292 -8.566 3.168 1.00 0.00 N ATOM 648 CA GLY B 44 -16.990 -7.471 3.804 1.00 0.00 C ATOM 649 C GLY B 44 -16.687 -6.166 3.111 1.00 0.00 C ATOM 650 O GLY B 44 -17.594 -5.422 2.758 1.00 0.00 O ATOM 0 H GLY B 44 -15.906 -8.343 2.251 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.064 -7.658 3.783 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.697 -7.408 4.852 1.00 0.00 H new ATOM 654 N TYR B 45 -15.391 -5.928 2.915 1.00 0.00 N ATOM 655 CA TYR B 45 -14.844 -4.752 2.216 1.00 0.00 C ATOM 656 C TYR B 45 -15.351 -3.403 2.772 1.00 0.00 C ATOM 657 O TYR B 45 -16.060 -3.355 3.774 1.00 0.00 O ATOM 658 CB TYR B 45 -15.016 -4.874 0.691 1.00 0.00 C ATOM 659 CG TYR B 45 -16.394 -4.557 0.126 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.807 -3.243 -0.061 1.00 0.00 C ATOM 661 CD2 TYR B 45 -17.264 -5.573 -0.250 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.044 -2.946 -0.597 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.506 -5.286 -0.785 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.891 -3.970 -0.957 1.00 0.00 C ATOM 665 OH TYR B 45 -20.129 -3.684 -1.491 1.00 0.00 O ATOM 0 H TYR B 45 -14.665 -6.564 3.246 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.774 -4.747 2.422 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.293 -4.212 0.214 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.756 -5.892 0.401 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.146 -2.437 0.219 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.965 -6.603 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.345 -1.918 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -19.173 -6.087 -1.067 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.600 -4.520 -1.691 1.00 0.00 H new ATOM 675 N GLY B 46 -14.918 -2.308 2.139 1.00 0.00 N ATOM 676 CA GLY B 46 -15.139 -0.975 2.672 1.00 0.00 C ATOM 677 C GLY B 46 -16.584 -0.518 2.607 1.00 0.00 C ATOM 678 O GLY B 46 -17.086 -0.190 1.530 1.00 0.00 O ATOM 0 H GLY B 46 -14.411 -2.327 1.254 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -14.807 -0.950 3.710 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -14.519 -0.267 2.122 1.00 0.00 H new ATOM 682 N ILE B 47 -17.265 -0.501 3.757 1.00 0.00 N ATOM 683 CA ILE B 47 -18.662 -0.064 3.805 1.00 0.00 C ATOM 684 C ILE B 47 -18.794 1.233 4.587 1.00 0.00 C ATOM 685 O ILE B 47 -19.080 2.288 4.021 1.00 0.00 O ATOM 686 CB ILE B 47 -19.591 -1.103 4.476 1.00 0.00 C ATOM 687 CG1 ILE B 47 -19.169 -2.532 4.139 1.00 0.00 C ATOM 688 CG2 ILE B 47 -21.035 -0.868 4.055 1.00 0.00 C ATOM 689 CD1 ILE B 47 -18.932 -2.770 2.669 1.00 0.00 C ATOM 0 H ILE B 47 -16.876 -0.782 4.657 1.00 0.00 H new ATOM 0 HA ILE B 47 -18.964 0.069 2.766 1.00 0.00 H new ATOM 0 HB ILE B 47 -19.508 -0.976 5.555 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.257 -2.770 4.687 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -19.939 -3.220 4.489 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -21.678 -1.606 4.534 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -21.344 0.133 4.357 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -21.118 -0.963 2.972 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -18.636 -3.807 2.511 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -19.848 -2.566 2.115 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -18.140 -2.109 2.316 1.00 0.00 H new ATOM 701 N SER B 48 -18.590 1.133 5.894 1.00 0.00 N ATOM 702 CA SER B 48 -18.694 2.271 6.792 1.00 0.00 C ATOM 703 C SER B 48 -17.670 3.325 6.429 1.00 0.00 C ATOM 704 O SER B 48 -17.982 4.506 6.270 1.00 0.00 O ATOM 705 CB SER B 48 -18.472 1.801 8.220 1.00 0.00 C ATOM 706 OG SER B 48 -19.433 0.824 8.578 1.00 0.00 O ATOM 0 H SER B 48 -18.348 0.259 6.360 1.00 0.00 H new ATOM 0 HA SER B 48 -19.687 2.711 6.701 1.00 0.00 H new ATOM 0 HB2 SER B 48 -17.469 1.386 8.320 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.536 2.649 8.902 1.00 0.00 H new ATOM 0 HG SER B 48 -19.274 0.531 9.500 1.00 0.00 H new ATOM 712 N TYR B 49 -16.446 2.865 6.328 1.00 0.00 N ATOM 713 CA TYR B 49 -15.340 3.669 5.855 1.00 0.00 C ATOM 714 C TYR B 49 -15.638 4.143 4.439 1.00 0.00 C ATOM 715 O TYR B 49 -15.652 3.345 3.501 1.00 0.00 O ATOM 716 CB TYR B 49 -14.060 2.829 5.882 1.00 0.00 C ATOM 717 CG TYR B 49 -13.921 1.992 7.139 1.00 0.00 C ATOM 718 CD1 TYR B 49 -14.567 0.764 7.253 1.00 0.00 C ATOM 719 CD2 TYR B 49 -13.161 2.433 8.214 1.00 0.00 C ATOM 720 CE1 TYR B 49 -14.460 0.004 8.397 1.00 0.00 C ATOM 721 CE2 TYR B 49 -13.045 1.674 9.363 1.00 0.00 C ATOM 722 CZ TYR B 49 -13.697 0.461 9.451 1.00 0.00 C ATOM 723 OH TYR B 49 -13.586 -0.294 10.596 1.00 0.00 O ATOM 0 H TYR B 49 -16.185 1.910 6.575 1.00 0.00 H new ATOM 0 HA TYR B 49 -15.204 4.539 6.497 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -14.046 2.172 5.012 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -13.198 3.490 5.796 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -15.163 0.400 6.429 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -12.653 3.384 8.151 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -14.971 -0.945 8.468 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -12.446 2.029 10.189 1.00 0.00 H new ATOM 0 HH TYR B 49 -13.012 0.171 11.240 1.00 0.00 H new ATOM 733 N GLU B 50 -15.911 5.430 4.294 1.00 0.00 N ATOM 734 CA GLU B 50 -16.280 5.976 2.999 1.00 0.00 C ATOM 735 C GLU B 50 -15.053 6.236 2.143 1.00 0.00 C ATOM 736 O GLU B 50 -13.998 5.635 2.352 1.00 0.00 O ATOM 737 CB GLU B 50 -17.149 7.239 3.142 1.00 0.00 C ATOM 738 CG GLU B 50 -16.817 8.118 4.334 1.00 0.00 C ATOM 739 CD GLU B 50 -15.544 8.917 4.167 1.00 0.00 C ATOM 740 OE1 GLU B 50 -14.465 8.402 4.503 1.00 0.00 O ATOM 741 OE2 GLU B 50 -15.622 10.079 3.720 1.00 0.00 O1- ATOM 0 H GLU B 50 -15.884 6.112 5.052 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.885 5.227 2.488 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -17.051 7.833 2.234 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.194 6.936 3.213 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -17.645 8.804 4.509 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -16.728 7.492 5.222 1.00 0.00 H new ATOM 748 N ASP B 51 -15.188 7.115 1.174 1.00 0.00 N ATOM 749 CA ASP B 51 -14.124 7.329 0.218 1.00 0.00 C ATOM 750 C ASP B 51 -12.985 8.126 0.834 1.00 0.00 C ATOM 751 O ASP B 51 -13.091 9.321 1.102 1.00 0.00 O ATOM 752 CB ASP B 51 -14.645 7.996 -1.063 1.00 0.00 C ATOM 753 CG ASP B 51 -15.382 9.300 -0.821 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.435 9.278 -0.153 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.916 10.352 -1.315 1.00 0.00 O ATOM 0 H ASP B 51 -16.018 7.689 1.028 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.731 6.351 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -13.804 8.184 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.312 7.303 -1.576 1.00 0.00 H new ATOM 760 N LYS B 52 -11.889 7.431 1.053 1.00 0.00 N ATOM 761 CA LYS B 52 -10.674 8.031 1.574 1.00 0.00 C ATOM 762 C LYS B 52 -9.545 7.774 0.594 1.00 0.00 C ATOM 763 O LYS B 52 -9.299 6.629 0.217 1.00 0.00 O ATOM 764 CB LYS B 52 -10.313 7.426 2.928 1.00 0.00 C ATOM 765 CG LYS B 52 -11.495 7.261 3.867 1.00 0.00 C ATOM 766 CD LYS B 52 -11.098 6.531 5.138 1.00 0.00 C ATOM 767 CE LYS B 52 -12.287 6.326 6.062 1.00 0.00 C ATOM 768 NZ LYS B 52 -12.923 7.612 6.445 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.813 6.430 0.875 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.831 9.102 1.703 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.851 6.452 2.767 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.566 8.057 3.409 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.899 8.241 4.120 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.288 6.710 3.362 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.665 5.564 4.882 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.326 7.099 5.658 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -13.023 5.690 5.570 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -11.962 5.801 6.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.315 7.533 7.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -12.212 8.371 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.688 7.834 5.776 1.00 0.00 H new ATOM 782 N ASN B 53 -8.879 8.826 0.165 1.00 0.00 N ATOM 783 CA ASN B 53 -7.838 8.689 -0.833 1.00 0.00 C ATOM 784 C ASN B 53 -6.471 8.894 -0.217 1.00 0.00 C ATOM 785 O ASN B 53 -6.268 9.810 0.584 1.00 0.00 O ATOM 786 CB ASN B 53 -8.021 9.698 -1.965 1.00 0.00 C ATOM 787 CG ASN B 53 -9.384 9.632 -2.619 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.611 8.836 -3.532 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.294 10.486 -2.179 1.00 0.00 N ATOM 0 H ASN B 53 -9.038 9.780 0.489 1.00 0.00 H new ATOM 0 HA ASN B 53 -7.912 7.679 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.863 10.703 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.255 9.526 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.224 10.501 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -10.066 11.129 -1.421 1.00 0.00 H new ATOM 796 N TRP B 54 -5.543 8.034 -0.585 1.00 0.00 N ATOM 797 CA TRP B 54 -4.160 8.210 -0.227 1.00 0.00 C ATOM 798 C TRP B 54 -3.280 7.643 -1.331 1.00 0.00 C ATOM 799 O TRP B 54 -3.733 6.827 -2.138 1.00 0.00 O ATOM 800 CB TRP B 54 -3.861 7.566 1.118 1.00 0.00 C ATOM 801 CG TRP B 54 -3.789 6.080 1.111 1.00 0.00 C ATOM 802 CD1 TRP B 54 -4.830 5.206 1.069 1.00 0.00 C ATOM 803 CD2 TRP B 54 -2.597 5.297 1.173 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.360 3.919 1.112 1.00 0.00 N ATOM 805 CE2 TRP B 54 -2.987 3.948 1.172 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.232 5.608 1.231 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.063 2.908 1.228 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.319 4.573 1.281 1.00 0.00 C ATOM 809 CH2 TRP B 54 -0.739 3.239 1.281 1.00 0.00 C ATOM 0 H TRP B 54 -5.731 7.198 -1.139 1.00 0.00 H new ATOM 0 HA TRP B 54 -3.945 9.273 -0.123 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -2.913 7.957 1.486 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.630 7.872 1.828 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -5.872 5.484 1.010 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -4.935 3.077 1.101 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -0.901 6.636 1.236 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -2.382 1.876 1.229 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.737 4.797 1.321 1.00 0.00 H new ATOM 0 HH2 TRP B 54 0.000 2.453 1.324 1.00 0.00 H new ATOM 820 N GLY B 55 -2.039 8.089 -1.382 1.00 0.00 N ATOM 821 CA GLY B 55 -1.165 7.699 -2.461 1.00 0.00 C ATOM 822 C GLY B 55 0.101 7.050 -1.963 1.00 0.00 C ATOM 823 O GLY B 55 0.625 7.428 -0.913 1.00 0.00 O ATOM 0 H GLY B 55 -1.621 8.715 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.690 7.008 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -0.912 8.576 -3.056 1.00 0.00 H new ATOM 827 N ILE B 56 0.582 6.059 -2.695 1.00 0.00 N ATOM 828 CA ILE B 56 1.867 5.462 -2.397 1.00 0.00 C ATOM 829 C ILE B 56 2.902 5.981 -3.382 1.00 0.00 C ATOM 830 O ILE B 56 2.588 6.209 -4.557 1.00 0.00 O ATOM 831 CB ILE B 56 1.822 3.928 -2.485 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.525 3.389 -1.896 1.00 0.00 C ATOM 833 CG2 ILE B 56 3.016 3.336 -1.746 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.243 1.959 -2.293 1.00 0.00 C ATOM 0 H ILE B 56 0.101 5.654 -3.498 1.00 0.00 H new ATOM 0 HA ILE B 56 2.131 5.736 -1.376 1.00 0.00 H new ATOM 0 HB ILE B 56 1.866 3.639 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.571 3.456 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.303 4.020 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.981 2.248 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.940 3.697 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.983 3.639 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.694 1.634 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE B 56 0.166 1.891 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE B 56 1.054 1.318 -1.946 1.00 0.00 H new ATOM 846 N PHE B 57 4.119 6.196 -2.908 1.00 0.00 N ATOM 847 CA PHE B 57 5.167 6.756 -3.750 1.00 0.00 C ATOM 848 C PHE B 57 6.396 5.860 -3.782 1.00 0.00 C ATOM 849 O PHE B 57 6.768 5.280 -2.764 1.00 0.00 O ATOM 850 CB PHE B 57 5.493 8.156 -3.238 1.00 0.00 C ATOM 851 CG PHE B 57 4.241 8.963 -3.120 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.724 9.615 -4.220 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.536 9.004 -1.930 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.529 10.289 -4.140 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.345 9.687 -1.843 1.00 0.00 C ATOM 856 CZ PHE B 57 1.837 10.326 -2.951 1.00 0.00 C ATOM 0 H PHE B 57 4.406 5.993 -1.950 1.00 0.00 H new ATOM 0 HA PHE B 57 4.818 6.821 -4.781 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.986 8.091 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.189 8.647 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.264 9.596 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.925 8.495 -1.061 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.133 10.790 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.809 9.722 -0.906 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.898 10.855 -2.888 1.00 0.00 H new ATOM 866 N VAL B 58 7.022 5.739 -4.958 1.00 0.00 N ATOM 867 CA VAL B 58 8.172 4.879 -5.099 1.00 0.00 C ATOM 868 C VAL B 58 9.310 5.655 -5.739 1.00 0.00 C ATOM 869 O VAL B 58 9.105 6.400 -6.696 1.00 0.00 O ATOM 870 CB VAL B 58 7.843 3.610 -5.917 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.561 3.940 -7.377 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.966 2.591 -5.796 1.00 0.00 C ATOM 0 H VAL B 58 6.745 6.226 -5.810 1.00 0.00 H new ATOM 0 HA VAL B 58 8.475 4.547 -4.106 1.00 0.00 H new ATOM 0 HB VAL B 58 6.934 3.173 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.334 3.023 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.710 4.619 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.437 4.415 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.717 1.704 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.893 3.024 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.094 2.314 -4.750 1.00 0.00 H new ATOM 882 N ASN B 59 10.504 5.500 -5.176 1.00 0.00 N ATOM 883 CA ASN B 59 11.687 6.261 -5.587 1.00 0.00 C ATOM 884 C ASN B 59 11.447 7.748 -5.375 1.00 0.00 C ATOM 885 O ASN B 59 12.195 8.587 -5.875 1.00 0.00 O ATOM 886 CB ASN B 59 12.045 6.017 -7.057 1.00 0.00 C ATOM 887 CG ASN B 59 11.831 4.589 -7.503 1.00 0.00 C ATOM 888 OD1 ASN B 59 12.682 3.723 -7.315 1.00 0.00 O ATOM 889 ND2 ASN B 59 10.685 4.352 -8.116 1.00 0.00 N ATOM 0 H ASN B 59 10.683 4.841 -4.418 1.00 0.00 H new ATOM 0 HA ASN B 59 12.520 5.920 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.445 6.678 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN B 59 13.089 6.286 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN B 59 10.474 3.415 -8.458 1.00 0.00 H new ATOM 0 HD22 ASN B 59 10.011 5.106 -8.247 1.00 0.00 H new ATOM 896 N GLY B 60 10.393 8.067 -4.634 1.00 0.00 N ATOM 897 CA GLY B 60 10.039 9.445 -4.414 1.00 0.00 C ATOM 898 C GLY B 60 8.986 9.940 -5.388 1.00 0.00 C ATOM 899 O GLY B 60 8.561 11.096 -5.331 1.00 0.00 O ATOM 0 H GLY B 60 9.779 7.389 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.670 9.563 -3.395 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.931 10.064 -4.504 1.00 0.00 H new ATOM 903 N GLU B 61 8.574 9.060 -6.283 1.00 0.00 N ATOM 904 CA GLU B 61 7.582 9.367 -7.293 1.00 0.00 C ATOM 905 C GLU B 61 6.266 8.730 -6.916 1.00 0.00 C ATOM 906 O GLU B 61 6.221 7.962 -5.986 1.00 0.00 O ATOM 907 CB GLU B 61 8.023 8.796 -8.632 1.00 0.00 C ATOM 908 CG GLU B 61 8.929 9.705 -9.440 1.00 0.00 C ATOM 909 CD GLU B 61 9.190 9.162 -10.828 1.00 0.00 C ATOM 910 OE1 GLU B 61 9.988 8.210 -10.965 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 8.587 9.675 -11.792 1.00 0.00 O ATOM 0 H GLU B 61 8.923 8.103 -6.328 1.00 0.00 H new ATOM 0 HA GLU B 61 7.471 10.449 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.540 7.853 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU B 61 7.137 8.569 -9.225 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.475 10.693 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.877 9.830 -8.916 1.00 0.00 H new ATOM 918 N LYS B 62 5.207 9.019 -7.646 1.00 0.00 N ATOM 919 CA LYS B 62 3.960 8.284 -7.477 1.00 0.00 C ATOM 920 C LYS B 62 4.209 6.812 -7.799 1.00 0.00 C ATOM 921 O LYS B 62 5.264 6.448 -8.322 1.00 0.00 O ATOM 922 CB LYS B 62 2.886 8.864 -8.409 1.00 0.00 C ATOM 923 CG LYS B 62 1.470 8.368 -8.144 1.00 0.00 C ATOM 924 CD LYS B 62 0.850 9.044 -6.931 1.00 0.00 C ATOM 925 CE LYS B 62 0.895 10.558 -7.070 1.00 0.00 C ATOM 926 NZ LYS B 62 0.170 11.256 -5.974 1.00 0.00 N1+ ATOM 0 H LYS B 62 5.180 9.750 -8.357 1.00 0.00 H new ATOM 0 HA LYS B 62 3.608 8.374 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.897 9.950 -8.320 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.152 8.625 -9.439 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.850 8.555 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.486 7.289 -7.990 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.183 8.716 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.383 8.742 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.934 10.887 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.460 10.844 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.203 12.283 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.821 10.940 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 0.620 11.034 -5.063 1.00 0.00 H new ATOM 940 N VAL B 63 3.291 5.962 -7.407 1.00 0.00 N ATOM 941 CA VAL B 63 3.287 4.596 -7.885 1.00 0.00 C ATOM 942 C VAL B 63 1.859 4.100 -7.998 1.00 0.00 C ATOM 943 O VAL B 63 1.573 3.188 -8.775 1.00 0.00 O ATOM 944 CB VAL B 63 4.110 3.639 -6.984 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.428 3.397 -5.647 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.373 2.319 -7.697 1.00 0.00 C ATOM 0 H VAL B 63 2.537 6.189 -6.759 1.00 0.00 H new ATOM 0 HA VAL B 63 3.765 4.596 -8.864 1.00 0.00 H new ATOM 0 HB VAL B 63 5.066 4.123 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.036 2.722 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.310 4.345 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.448 2.951 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.952 1.663 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.424 1.842 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.932 2.506 -8.614 1.00 0.00 H new ATOM 956 N TYR B 64 0.952 4.730 -7.251 1.00 0.00 N ATOM 957 CA TYR B 64 -0.413 4.236 -7.188 1.00 0.00 C ATOM 958 C TYR B 64 -1.339 5.204 -6.449 1.00 0.00 C ATOM 959 O TYR B 64 -0.932 5.863 -5.491 1.00 0.00 O ATOM 960 CB TYR B 64 -0.404 2.870 -6.499 1.00 0.00 C ATOM 961 CG TYR B 64 -1.655 2.047 -6.683 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.477 2.196 -7.798 1.00 0.00 C ATOM 963 CD2 TYR B 64 -2.004 1.102 -5.737 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.608 1.427 -7.954 1.00 0.00 C ATOM 965 CE2 TYR B 64 -3.131 0.331 -5.889 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.932 0.495 -6.997 1.00 0.00 C ATOM 967 OH TYR B 64 -5.058 -0.276 -7.151 1.00 0.00 O ATOM 0 H TYR B 64 1.136 5.565 -6.694 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.801 4.145 -8.203 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.445 2.298 -6.873 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.242 3.021 -5.432 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.223 2.926 -8.552 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.381 0.967 -4.865 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.237 1.555 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -3.388 -0.403 -5.140 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.374 -0.213 -8.077 1.00 0.00 H new ATOM 977 N THR B 65 -2.582 5.277 -6.917 1.00 0.00 N ATOM 978 CA THR B 65 -3.614 6.104 -6.307 1.00 0.00 C ATOM 979 C THR B 65 -4.904 5.293 -6.161 1.00 0.00 C ATOM 980 O THR B 65 -5.357 4.677 -7.127 1.00 0.00 O ATOM 981 CB THR B 65 -3.888 7.355 -7.170 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.673 8.098 -7.354 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.942 8.247 -6.533 1.00 0.00 C ATOM 0 H THR B 65 -2.902 4.760 -7.736 1.00 0.00 H new ATOM 0 HA THR B 65 -3.267 6.424 -5.325 1.00 0.00 H new ATOM 0 HB THR B 65 -4.264 7.021 -8.137 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.853 8.889 -7.903 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.112 9.119 -7.165 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.873 7.690 -6.425 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.598 8.572 -5.551 1.00 0.00 H new ATOM 991 N PHE B 66 -5.486 5.267 -4.961 1.00 0.00 N ATOM 992 CA PHE B 66 -6.659 4.466 -4.704 1.00 0.00 C ATOM 993 C PHE B 66 -7.410 4.983 -3.486 1.00 0.00 C ATOM 994 O PHE B 66 -7.094 6.045 -2.943 1.00 0.00 O ATOM 995 CB PHE B 66 -6.259 3.003 -4.544 1.00 0.00 C ATOM 996 CG PHE B 66 -5.241 2.713 -3.490 1.00 0.00 C ATOM 997 CD1 PHE B 66 -3.907 3.032 -3.663 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.626 2.061 -2.345 1.00 0.00 C ATOM 999 CE1 PHE B 66 -2.982 2.706 -2.699 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.710 1.718 -1.380 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.382 2.042 -1.556 1.00 0.00 C ATOM 0 H PHE B 66 -5.154 5.798 -4.156 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.338 4.541 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.156 2.424 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -5.875 2.645 -5.500 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.589 3.541 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.667 1.813 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -1.943 2.969 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.029 1.198 -0.489 1.00 0.00 H new ATOM 0 HZ PHE B 66 -2.656 1.777 -0.802 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.391 4.216 -3.068 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.395 4.673 -2.116 1.00 0.00 C ATOM 1013 C ASN B 67 -9.932 3.495 -1.305 1.00 0.00 C ATOM 1014 O ASN B 67 -10.092 2.399 -1.831 1.00 0.00 O ATOM 1015 CB ASN B 67 -10.539 5.321 -2.900 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.542 6.033 -2.023 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.414 5.410 -1.424 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.452 7.349 -1.977 1.00 0.00 N ATOM 0 H ASN B 67 -8.521 3.252 -3.376 1.00 0.00 H new ATOM 0 HA ASN B 67 -8.950 5.391 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.123 6.032 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.054 4.553 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.123 7.887 -1.429 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -10.712 7.828 -2.490 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.227 3.733 -0.029 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.737 2.688 0.857 1.00 0.00 C ATOM 1027 C GLU B 68 -12.108 2.162 0.411 1.00 0.00 C ATOM 1028 O GLU B 68 -12.402 0.978 0.569 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.810 3.192 2.299 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.548 2.923 3.110 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.377 3.824 2.763 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.396 5.007 3.158 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.405 3.340 2.146 1.00 0.00 O ATOM 0 H GLU B 68 -10.121 4.644 0.417 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.035 1.856 0.802 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.003 4.265 2.290 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.658 2.720 2.796 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.779 3.039 4.169 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.249 1.885 2.961 1.00 0.00 H new ATOM 1040 N LYS B 69 -12.941 3.035 -0.150 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.249 2.635 -0.668 1.00 0.00 C ATOM 1042 C LYS B 69 -14.093 1.975 -2.033 1.00 0.00 C ATOM 1043 O LYS B 69 -14.985 1.273 -2.508 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.185 3.838 -0.773 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.607 3.476 -1.191 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.519 4.693 -1.164 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.941 4.343 -1.580 1.00 0.00 C ATOM 1048 NZ LYS B 69 -19.604 3.430 -0.612 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.733 4.028 -0.258 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.687 1.919 0.028 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.218 4.347 0.191 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -14.773 4.545 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.596 3.050 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.000 2.709 -0.523 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.528 5.118 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.123 5.459 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.526 5.258 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -18.924 3.875 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.612 3.341 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.154 2.493 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.510 3.816 0.349 1.00 0.00 H new ATOM 1062 N SER B 70 -12.948 2.208 -2.661 1.00 0.00 N ATOM 1063 CA SER B 70 -12.568 1.471 -3.860 1.00 0.00 C ATOM 1064 C SER B 70 -12.209 0.034 -3.455 1.00 0.00 C ATOM 1065 O SER B 70 -12.028 -0.854 -4.290 1.00 0.00 O ATOM 1066 CB SER B 70 -11.403 2.191 -4.571 1.00 0.00 C ATOM 1067 OG SER B 70 -10.665 1.322 -5.413 1.00 0.00 O ATOM 0 H SER B 70 -12.265 2.903 -2.360 1.00 0.00 H new ATOM 0 HA SER B 70 -13.394 1.430 -4.570 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.797 3.018 -5.162 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.736 2.622 -3.824 1.00 0.00 H new ATOM 0 HG SER B 70 -9.939 1.821 -5.843 1.00 0.00 H new ATOM 1073 N THR B 71 -12.157 -0.155 -2.127 1.00 0.00 N ATOM 1074 CA THR B 71 -11.967 -1.430 -1.460 1.00 0.00 C ATOM 1075 C THR B 71 -10.599 -2.035 -1.745 1.00 0.00 C ATOM 1076 O THR B 71 -10.304 -2.466 -2.857 1.00 0.00 O ATOM 1077 CB THR B 71 -13.096 -2.425 -1.777 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.915 -3.019 -3.069 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.448 -1.735 -1.732 1.00 0.00 C ATOM 0 H THR B 71 -12.252 0.619 -1.469 1.00 0.00 H new ATOM 0 HA THR B 71 -12.009 -1.222 -0.391 1.00 0.00 H new ATOM 0 HB THR B 71 -13.062 -3.207 -1.019 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.285 -2.480 -3.592 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.233 -2.457 -1.959 1.00 0.00 H new ATOM 0 HG22 THR B 71 -14.612 -1.321 -0.737 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.471 -0.931 -2.468 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.777 -2.092 -0.702 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.369 -2.450 -0.836 1.00 0.00 C ATOM 1089 C VAL B 72 -8.175 -3.861 -1.406 1.00 0.00 C ATOM 1090 O VAL B 72 -7.083 -4.203 -1.855 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.624 -2.321 0.512 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -8.017 -1.033 1.221 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.885 -3.531 1.396 1.00 0.00 C ATOM 0 H VAL B 72 -10.066 -1.892 0.256 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.942 -1.742 -1.546 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.554 -2.283 0.307 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -7.482 -0.961 2.168 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.761 -0.179 0.593 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -9.090 -1.035 1.410 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -7.349 -3.415 2.338 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.954 -3.613 1.594 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.539 -4.432 0.890 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.236 -4.663 -1.405 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.158 -6.006 -1.952 1.00 0.00 C ATOM 1105 C GLY B 73 -8.944 -6.004 -3.454 1.00 0.00 C ATOM 1106 O GLY B 73 -8.029 -6.657 -3.963 1.00 0.00 O ATOM 0 H GLY B 73 -10.151 -4.406 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.341 -6.545 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.076 -6.545 -1.719 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.772 -5.245 -4.162 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.659 -5.133 -5.616 1.00 0.00 C ATOM 1112 C ASN B 74 -8.476 -4.247 -5.966 1.00 0.00 C ATOM 1113 O ASN B 74 -7.955 -4.281 -7.080 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.949 -4.558 -6.218 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.138 -5.461 -6.030 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.378 -6.376 -6.818 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.910 -5.189 -4.995 1.00 0.00 N ATOM 0 H ASN B 74 -10.530 -4.697 -3.755 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.503 -6.127 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.158 -3.591 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.799 -4.381 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.746 -5.747 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.671 -4.420 -4.369 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.058 -3.465 -4.987 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.909 -2.587 -5.118 1.00 0.00 C ATOM 1126 C ILE B 75 -5.619 -3.375 -5.094 1.00 0.00 C ATOM 1127 O ILE B 75 -4.779 -3.247 -5.980 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.875 -1.588 -3.965 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.167 -0.795 -3.951 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -5.669 -0.679 -4.078 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.212 0.272 -2.889 1.00 0.00 C ATOM 0 H ILE B 75 -8.509 -3.421 -4.073 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.002 -2.066 -6.071 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.785 -2.127 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.308 -0.330 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.002 -1.480 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -5.665 0.025 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -4.758 -1.278 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -5.715 -0.129 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.166 0.797 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.103 -0.188 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.399 0.980 -3.050 1.00 0.00 H new ATOM 1143 N SER B 76 -5.471 -4.177 -4.054 1.00 0.00 N ATOM 1144 CA SER B 76 -4.295 -5.022 -3.896 1.00 0.00 C ATOM 1145 C SER B 76 -4.120 -5.909 -5.119 1.00 0.00 C ATOM 1146 O SER B 76 -3.002 -6.220 -5.521 1.00 0.00 O ATOM 1147 CB SER B 76 -4.409 -5.875 -2.635 1.00 0.00 C ATOM 1148 OG SER B 76 -3.260 -6.686 -2.459 1.00 0.00 O ATOM 0 H SER B 76 -6.154 -4.263 -3.301 1.00 0.00 H new ATOM 0 HA SER B 76 -3.419 -4.380 -3.797 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.538 -5.229 -1.766 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.296 -6.505 -2.698 1.00 0.00 H new ATOM 0 HG SER B 76 -3.523 -7.630 -2.455 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.246 -6.293 -5.704 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.272 -7.033 -6.960 1.00 0.00 C ATOM 1156 C ASN B 77 -4.438 -6.315 -8.007 1.00 0.00 C ATOM 1157 O ASN B 77 -3.606 -6.909 -8.692 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.712 -7.118 -7.439 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.917 -8.131 -8.546 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -7.045 -9.331 -8.295 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.997 -7.653 -9.774 1.00 0.00 N ATOM 0 H ASN B 77 -6.171 -6.100 -5.320 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.861 -8.031 -6.806 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.353 -7.377 -6.596 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.029 -6.136 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.171 -8.284 -10.557 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -6.885 -6.653 -9.940 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.682 -5.024 -8.110 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.935 -4.161 -9.021 1.00 0.00 C ATOM 1170 C ASP B 78 -2.503 -3.962 -8.539 1.00 0.00 C ATOM 1171 O ASP B 78 -1.567 -3.975 -9.330 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.619 -2.801 -9.170 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.736 -2.820 -10.190 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.438 -2.921 -11.395 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.919 -2.725 -9.796 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.399 -4.539 -7.570 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.913 -4.655 -9.992 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.019 -2.492 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.879 -2.056 -9.461 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.341 -3.774 -7.239 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.023 -3.619 -6.635 1.00 0.00 C ATOM 1182 C ILE B 79 -0.109 -4.787 -6.988 1.00 0.00 C ATOM 1183 O ILE B 79 1.085 -4.606 -7.239 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.173 -3.491 -5.112 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -1.932 -2.220 -4.817 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.168 -3.520 -4.395 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.136 -1.934 -3.351 1.00 0.00 C ATOM 0 H ILE B 79 -3.113 -3.724 -6.574 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.562 -2.714 -7.032 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.727 -4.351 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.399 -1.382 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.907 -2.274 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.008 -3.426 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.673 -4.463 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.785 -2.692 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.690 -1.002 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -2.699 -2.749 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.167 -1.843 -2.860 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.691 -5.972 -7.032 1.00 0.00 N ATOM 1200 CA ASN B 80 0.040 -7.181 -7.408 1.00 0.00 C ATOM 1201 C ASN B 80 0.656 -7.050 -8.804 1.00 0.00 C ATOM 1202 O ASN B 80 1.748 -7.560 -9.058 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.882 -8.405 -7.365 1.00 0.00 C ATOM 1204 CG ASN B 80 -1.347 -8.761 -5.961 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -2.467 -9.237 -5.770 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -0.493 -8.555 -4.970 1.00 0.00 N ATOM 0 H ASN B 80 -1.674 -6.129 -6.811 1.00 0.00 H new ATOM 0 HA ASN B 80 0.846 -7.312 -6.686 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.754 -8.216 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN B 80 -0.359 -9.260 -7.795 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -0.755 -8.792 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN B 80 0.427 -8.159 -5.163 1.00 0.00 H new ATOM 1213 N LYS B 81 -0.031 -6.353 -9.707 1.00 0.00 N ATOM 1214 CA LYS B 81 0.457 -6.218 -11.075 1.00 0.00 C ATOM 1215 C LYS B 81 1.447 -5.056 -11.183 1.00 0.00 C ATOM 1216 O LYS B 81 2.393 -5.113 -11.962 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.706 -6.044 -12.070 1.00 0.00 C ATOM 1218 CG LYS B 81 -1.278 -4.641 -12.140 1.00 0.00 C ATOM 1219 CD LYS B 81 -2.397 -4.540 -13.163 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.923 -3.117 -13.281 1.00 0.00 C ATOM 1221 NZ LYS B 81 -1.913 -2.190 -13.859 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.915 -5.880 -9.519 1.00 0.00 H new ATOM 0 HA LYS B 81 0.979 -7.138 -11.336 1.00 0.00 H new ATOM 0 HB2 LYS B 81 -0.362 -6.331 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -1.505 -6.734 -11.798 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.655 -4.352 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.486 -3.938 -12.397 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.034 -4.876 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -3.211 -5.207 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -3.817 -3.113 -13.905 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -3.220 -2.759 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -1.682 -1.451 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -1.052 -2.721 -14.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -2.298 -1.749 -14.718 1.00 0.00 H new ATOM 1235 N LEU B 82 1.260 -4.026 -10.359 1.00 0.00 N ATOM 1236 CA LEU B 82 2.119 -2.847 -10.389 1.00 0.00 C ATOM 1237 C LEU B 82 3.543 -3.229 -10.054 1.00 0.00 C ATOM 1238 O LEU B 82 4.491 -2.585 -10.505 1.00 0.00 O ATOM 1239 CB LEU B 82 1.645 -1.822 -9.364 1.00 0.00 C ATOM 1240 CG LEU B 82 0.752 -0.698 -9.879 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.475 0.129 -10.931 1.00 0.00 C ATOM 1242 CD2 LEU B 82 -0.557 -1.238 -10.431 1.00 0.00 C ATOM 0 H LEU B 82 0.518 -3.986 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 82 2.073 -2.421 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU B 82 1.106 -2.351 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU B 82 2.524 -1.373 -8.901 1.00 0.00 H new ATOM 0 HG LEU B 82 0.517 -0.051 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.818 0.924 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU B 82 2.373 0.567 -10.496 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.752 -0.510 -11.769 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -1.170 -0.411 -10.789 1.00 0.00 H new ATOM 0 HD22 LEU B 82 -0.350 -1.920 -11.256 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -1.091 -1.771 -9.644 1.00 0.00 H new ATOM 1254 N ASN B 83 3.665 -4.306 -9.296 1.00 0.00 N ATOM 1255 CA ASN B 83 4.933 -4.738 -8.730 1.00 0.00 C ATOM 1256 C ASN B 83 5.713 -3.538 -8.187 1.00 0.00 C ATOM 1257 O ASN B 83 6.714 -3.113 -8.776 1.00 0.00 O ATOM 1258 CB ASN B 83 5.756 -5.488 -9.778 1.00 0.00 C ATOM 1259 CG ASN B 83 6.918 -6.261 -9.181 1.00 0.00 C ATOM 1260 OD1 ASN B 83 6.782 -7.437 -8.841 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.065 -5.616 -9.048 1.00 0.00 N ATOM 0 H ASN B 83 2.880 -4.911 -9.054 1.00 0.00 H new ATOM 0 HA ASN B 83 4.731 -5.417 -7.902 1.00 0.00 H new ATOM 0 HB2 ASN B 83 5.106 -6.178 -10.316 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.139 -4.776 -10.509 1.00 0.00 H new ATOM 0 HD21 ASN B 83 8.875 -6.093 -8.652 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.139 -4.642 -9.341 1.00 0.00 H new ATOM 1268 N ILE B 84 5.212 -2.963 -7.096 1.00 0.00 N ATOM 1269 CA ILE B 84 5.815 -1.798 -6.482 1.00 0.00 C ATOM 1270 C ILE B 84 7.247 -2.082 -6.065 1.00 0.00 C ATOM 1271 O ILE B 84 7.523 -3.089 -5.420 1.00 0.00 O ATOM 1272 CB ILE B 84 5.012 -1.349 -5.247 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.621 -0.883 -5.658 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.732 -0.236 -4.497 1.00 0.00 C ATOM 1275 CD1 ILE B 84 2.690 -1.974 -6.134 1.00 0.00 C ATOM 0 H ILE B 84 4.375 -3.297 -6.618 1.00 0.00 H new ATOM 0 HA ILE B 84 5.809 -1.001 -7.225 1.00 0.00 H new ATOM 0 HB ILE B 84 4.919 -2.206 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.159 -0.378 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.723 -0.143 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.141 0.060 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.708 -0.592 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.863 0.622 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE B 84 1.727 -1.539 -6.402 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.122 -2.466 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE B 84 2.549 -2.705 -5.338 1.00 0.00 H new ATOM 1287 N LYS B 85 8.140 -1.186 -6.436 1.00 0.00 N ATOM 1288 CA LYS B 85 9.556 -1.344 -6.134 1.00 0.00 C ATOM 1289 C LYS B 85 9.880 -0.789 -4.760 1.00 0.00 C ATOM 1290 O LYS B 85 8.988 -0.406 -4.004 1.00 0.00 O ATOM 1291 CB LYS B 85 10.393 -0.606 -7.170 1.00 0.00 C ATOM 1292 CG LYS B 85 10.088 -0.995 -8.599 1.00 0.00 C ATOM 1293 CD LYS B 85 10.481 -2.433 -8.900 1.00 0.00 C ATOM 1294 CE LYS B 85 11.985 -2.640 -8.806 1.00 0.00 C ATOM 1295 NZ LYS B 85 12.730 -1.785 -9.768 1.00 0.00 N1+ ATOM 0 H LYS B 85 7.912 -0.335 -6.950 1.00 0.00 H new ATOM 0 HA LYS B 85 9.788 -2.409 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.233 0.466 -7.054 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.448 -0.794 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS B 85 9.023 -0.864 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.618 -0.326 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS B 85 9.978 -3.101 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS B 85 10.139 -2.701 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS B 85 12.318 -2.419 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS B 85 12.219 -3.687 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 13.716 -2.109 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.286 -1.850 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 12.710 -0.797 -9.443 1.00 0.00 H new ATOM 1309 N GLY B 86 11.165 -0.707 -4.461 1.00 0.00 N ATOM 1310 CA GLY B 86 11.585 -0.204 -3.170 1.00 0.00 C ATOM 1311 C GLY B 86 12.843 0.633 -3.253 1.00 0.00 C ATOM 1312 O GLY B 86 13.927 0.116 -3.529 1.00 0.00 O ATOM 0 H GLY B 86 11.924 -0.978 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.783 0.395 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.755 -1.043 -2.495 1.00 0.00 H new ATOM 1316 N MET B 87 12.699 1.928 -3.004 1.00 0.00 N ATOM 1317 CA MET B 87 13.812 2.835 -2.944 1.00 0.00 C ATOM 1318 C MET B 87 13.493 3.972 -1.974 1.00 0.00 C ATOM 1319 O MET B 87 14.091 4.074 -0.906 1.00 0.00 O ATOM 1320 CB MET B 87 14.070 3.375 -4.339 1.00 0.00 C ATOM 1321 CG MET B 87 14.864 4.648 -4.353 1.00 0.00 C ATOM 1322 SD MET B 87 16.629 4.395 -4.075 1.00 0.00 S ATOM 1323 CE MET B 87 17.065 3.398 -5.500 1.00 0.00 C ATOM 0 H MET B 87 11.795 2.371 -2.838 1.00 0.00 H new ATOM 0 HA MET B 87 14.704 2.321 -2.586 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.600 2.620 -4.920 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.115 3.547 -4.835 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.723 5.145 -5.313 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.475 5.318 -3.586 1.00 0.00 H new ATOM 0 HE1 MET B 87 18.007 3.753 -5.918 1.00 0.00 H new ATOM 0 HE2 MET B 87 17.172 2.357 -5.197 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.281 3.478 -6.253 1.00 0.00 H new ATOM 1333 N TYR B 88 12.543 4.822 -2.359 1.00 0.00 N ATOM 1334 CA TYR B 88 12.047 5.873 -1.491 1.00 0.00 C ATOM 1335 C TYR B 88 10.524 5.779 -1.439 1.00 0.00 C ATOM 1336 O TYR B 88 9.822 6.414 -2.227 1.00 0.00 O ATOM 1337 CB TYR B 88 12.498 7.245 -2.010 1.00 0.00 C ATOM 1338 CG TYR B 88 12.222 8.398 -1.065 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.974 9.003 -1.019 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.216 8.885 -0.225 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.723 10.055 -0.164 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.969 9.939 0.636 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.720 10.519 0.660 1.00 0.00 C ATOM 1344 OH TYR B 88 11.462 11.564 1.521 1.00 0.00 O ATOM 0 H TYR B 88 12.101 4.797 -3.278 1.00 0.00 H new ATOM 0 HA TYR B 88 12.450 5.753 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.568 7.208 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.999 7.442 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.186 8.644 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.197 8.433 -0.245 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.745 10.513 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.751 10.305 1.285 1.00 0.00 H new ATOM 0 HH TYR B 88 12.270 11.771 2.035 1.00 0.00 H new ATOM 1354 N ILE B 89 10.033 4.926 -0.554 1.00 0.00 N ATOM 1355 CA ILE B 89 8.601 4.706 -0.401 1.00 0.00 C ATOM 1356 C ILE B 89 7.990 5.730 0.547 1.00 0.00 C ATOM 1357 O ILE B 89 8.505 5.958 1.642 1.00 0.00 O ATOM 1358 CB ILE B 89 8.305 3.287 0.140 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.961 2.221 -0.739 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.803 3.045 0.235 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.496 2.256 -2.173 1.00 0.00 C ATOM 0 H ILE B 89 10.611 4.369 0.076 1.00 0.00 H new ATOM 0 HA ILE B 89 8.155 4.813 -1.390 1.00 0.00 H new ATOM 0 HB ILE B 89 8.729 3.216 1.142 1.00 0.00 H new ATOM 0 HG12 ILE B 89 10.042 2.354 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.751 1.237 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.620 2.041 0.618 1.00 0.00 H new ATOM 0 HG22 ILE B 89 6.358 3.777 0.909 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.355 3.144 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.002 1.473 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.419 2.092 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.731 3.227 -2.608 1.00 0.00 H new ATOM 1373 N GLU B 90 6.900 6.349 0.123 1.00 0.00 N ATOM 1374 CA GLU B 90 6.176 7.282 0.972 1.00 0.00 C ATOM 1375 C GLU B 90 4.724 6.879 1.129 1.00 0.00 C ATOM 1376 O GLU B 90 4.132 6.273 0.233 1.00 0.00 O ATOM 1377 CB GLU B 90 6.230 8.698 0.423 1.00 0.00 C ATOM 1378 CG GLU B 90 7.509 9.437 0.753 1.00 0.00 C ATOM 1379 CD GLU B 90 7.419 10.913 0.435 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.692 11.300 -0.718 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.071 11.697 1.343 1.00 0.00 O ATOM 0 H GLU B 90 6.497 6.222 -0.805 1.00 0.00 H new ATOM 0 HA GLU B 90 6.667 7.254 1.945 1.00 0.00 H new ATOM 0 HB2 GLU B 90 6.112 8.662 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.384 9.262 0.817 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.737 9.309 1.811 1.00 0.00 H new ATOM 0 HG3 GLU B 90 8.335 8.997 0.194 1.00 0.00 H new ATOM 1388 N ILE B 91 4.167 7.231 2.275 1.00 0.00 N ATOM 1389 CA ILE B 91 2.768 6.984 2.570 1.00 0.00 C ATOM 1390 C ILE B 91 2.119 8.269 3.068 1.00 0.00 C ATOM 1391 O ILE B 91 2.616 8.882 4.017 1.00 0.00 O ATOM 1392 CB ILE B 91 2.619 5.917 3.670 1.00 0.00 C ATOM 1393 CG1 ILE B 91 3.256 4.603 3.231 1.00 0.00 C ATOM 1394 CG2 ILE B 91 1.156 5.713 4.047 1.00 0.00 C ATOM 1395 CD1 ILE B 91 3.376 3.603 4.352 1.00 0.00 C ATOM 0 H ILE B 91 4.674 7.697 3.028 1.00 0.00 H new ATOM 0 HA ILE B 91 2.287 6.634 1.657 1.00 0.00 H new ATOM 0 HB ILE B 91 3.142 6.273 4.558 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.662 4.169 2.426 1.00 0.00 H new ATOM 0 HG13 ILE B 91 4.247 4.804 2.823 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.083 4.954 4.826 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.741 6.651 4.415 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.596 5.388 3.170 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.837 2.689 3.977 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.994 4.020 5.147 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.385 3.375 4.744 1.00 0.00 H new ATOM 1407 N LYS B 92 1.031 8.684 2.434 1.00 0.00 N ATOM 1408 CA LYS B 92 0.294 9.858 2.879 1.00 0.00 C ATOM 1409 C LYS B 92 -1.058 9.957 2.198 1.00 0.00 C ATOM 1410 O LYS B 92 -1.313 9.297 1.189 1.00 0.00 O ATOM 1411 CB LYS B 92 1.097 11.126 2.624 1.00 0.00 C ATOM 1412 CG LYS B 92 1.617 11.253 1.207 1.00 0.00 C ATOM 1413 CD LYS B 92 2.734 12.281 1.132 1.00 0.00 C ATOM 1414 CE LYS B 92 3.074 12.654 -0.300 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.009 13.483 -0.928 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.640 8.226 1.611 1.00 0.00 H new ATOM 0 HA LYS B 92 0.128 9.751 3.951 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.473 11.990 2.849 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.941 11.154 3.313 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.983 10.286 0.861 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.804 11.543 0.541 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.439 13.177 1.679 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.623 11.886 1.624 1.00 0.00 H new ATOM 0 HE2 LYS B 92 4.017 13.201 -0.318 1.00 0.00 H new ATOM 0 HE3 LYS B 92 3.220 11.747 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 2.356 13.870 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.170 12.895 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 1.756 14.264 -0.290 1.00 0.00 H new ATOM 1429 N GLN B 93 -1.910 10.799 2.758 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.286 10.928 2.307 1.00 0.00 C ATOM 1431 C GLN B 93 -3.408 12.081 1.321 1.00 0.00 C ATOM 1432 O GLN B 93 -2.874 13.165 1.551 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.227 11.169 3.494 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.016 10.230 4.680 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.070 8.760 4.308 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -5.138 8.151 4.269 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.910 8.168 4.080 1.00 0.00 N ATOM 0 H GLN B 93 -1.668 11.412 3.537 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.571 9.998 1.816 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.102 12.197 3.836 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.256 11.070 3.149 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.050 10.446 5.136 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.777 10.434 5.434 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.045 8.707 4.122 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.880 7.172 3.863 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.108 11.842 0.230 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.293 12.847 -0.801 1.00 0.00 C ATOM 1448 C ILE B 94 -5.733 13.351 -0.810 1.00 0.00 C ATOM 1449 O ILE B 94 -6.553 12.843 -1.600 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.909 12.290 -2.188 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.406 10.852 -2.330 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.402 12.343 -2.371 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.201 10.252 -3.703 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.051 14.246 -0.002 1.00 0.00 O ATOM 0 H ILE B 94 -4.563 10.951 0.032 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.634 13.686 -0.575 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.379 12.902 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -3.895 10.230 -1.595 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.469 10.822 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.141 11.948 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.062 13.376 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -1.920 11.743 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -4.582 9.231 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.735 10.847 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.138 10.245 -3.942 1.00 0.00 H new