USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 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: A 8 GLN : amide:sc= 0.437 K(o=1,f=-0.99) USER MOD Set 1.2: A 74 CYS SG : rot -163:sc= 0.565 USER MOD Single : A 7 ASN : amide:sc= -0.111 X(o=-0.11,f=0.038) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -164:sc=-0.00373 (180deg=-0.137) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0264 USER MOD Single : A 39 ASN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 40 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-3.1!) USER MOD Single : A 42 ASN : amide:sc= -0.549 K(o=-0.55,f=-2.5!) USER MOD Single : A 46 SER OG : rot -14:sc= 0.744 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0257) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= -0.396 (180deg=-1.97!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= 0.983 (180deg=0.473) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.00676 USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.563 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.23 F(o=-2.9!,f=-2.2) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.617 F(o=-1.5,f=-0.62) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 178:sc= -1.12 (180deg=-1.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -61:sc= -0.269 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.439 3.680 -9.014 1.00 0.00 N ATOM 169 CA ASN A 7 -5.595 2.593 -8.054 1.00 0.00 C ATOM 170 C ASN A 7 -4.595 1.474 -8.333 1.00 0.00 C ATOM 171 O ASN A 7 -4.421 1.055 -9.477 1.00 0.00 O ATOM 172 CB ASN A 7 -7.021 2.040 -8.106 1.00 0.00 C ATOM 173 CG ASN A 7 -7.320 1.332 -9.413 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.213 1.921 -10.490 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.698 0.063 -9.325 1.00 0.00 N ATOM 0 HA ASN A 7 -5.402 2.991 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.169 1.346 -7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.730 2.857 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.913 -0.465 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.773 -0.385 -8.412 1.00 0.00 H new ATOM 182 N GLN A 8 -3.942 0.995 -7.278 1.00 0.00 N ATOM 183 CA GLN A 8 -2.960 -0.074 -7.410 1.00 0.00 C ATOM 184 C GLN A 8 -3.578 -1.425 -7.070 1.00 0.00 C ATOM 185 O GLN A 8 -4.566 -1.503 -6.339 1.00 0.00 O ATOM 186 CB GLN A 8 -1.758 0.194 -6.501 1.00 0.00 C ATOM 187 CG GLN A 8 -0.747 1.158 -7.100 1.00 0.00 C ATOM 188 CD GLN A 8 0.578 1.145 -6.362 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.064 0.090 -5.954 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.170 2.321 -6.187 1.00 0.00 N ATOM 0 H GLN A 8 -4.076 1.330 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.624 -0.099 -8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.113 0.596 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.261 -0.751 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.579 0.900 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.158 2.167 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.731 3.171 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.063 2.374 -5.698 1.00 0.00 H new ATOM 199 N THR A 9 -2.990 -2.492 -7.605 1.00 0.00 N ATOM 200 CA THR A 9 -3.484 -3.840 -7.359 1.00 0.00 C ATOM 201 C THR A 9 -2.345 -4.784 -6.985 1.00 0.00 C ATOM 202 O THR A 9 -1.243 -4.686 -7.524 1.00 0.00 O ATOM 203 CB THR A 9 -4.218 -4.403 -8.591 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.540 -4.005 -9.788 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.658 -3.917 -8.632 1.00 0.00 C ATOM 0 H THR A 9 -2.171 -2.447 -8.211 1.00 0.00 H new ATOM 0 HA THR A 9 -4.185 -3.773 -6.527 1.00 0.00 H new ATOM 0 HB THR A 9 -4.221 -5.491 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.011 -4.368 -10.567 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.156 -4.328 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.179 -4.246 -7.733 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.673 -2.828 -8.682 1.00 0.00 H new ATOM 213 N VAL A 10 -2.620 -5.697 -6.060 1.00 0.00 N ATOM 214 CA VAL A 10 -1.618 -6.659 -5.615 1.00 0.00 C ATOM 215 C VAL A 10 -2.050 -8.087 -5.931 1.00 0.00 C ATOM 216 O VAL A 10 -3.239 -8.403 -5.918 1.00 0.00 O ATOM 217 CB VAL A 10 -1.355 -6.537 -4.102 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.102 -7.306 -3.714 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.240 -5.075 -3.699 1.00 0.00 C ATOM 0 H VAL A 10 -3.528 -5.791 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.699 -6.432 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.199 -6.973 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.068 -7.208 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.228 -8.359 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.754 -6.903 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.054 -5.007 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.415 -4.612 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.168 -4.557 -3.940 1.00 0.00 H new ATOM 229 N ASP A 11 -1.075 -8.945 -6.212 1.00 0.00 N ATOM 230 CA ASP A 11 -1.354 -10.341 -6.530 1.00 0.00 C ATOM 231 C ASP A 11 -0.884 -11.257 -5.405 1.00 0.00 C ATOM 232 O ASP A 11 0.142 -11.007 -4.774 1.00 0.00 O ATOM 233 CB ASP A 11 -0.673 -10.732 -7.842 1.00 0.00 C ATOM 234 CG ASP A 11 -1.071 -12.119 -8.309 1.00 0.00 C ATOM 235 OD1 ASP A 11 -2.086 -12.234 -9.029 1.00 0.00 O ATOM 236 OD2 ASP A 11 -0.369 -13.089 -7.955 1.00 0.00 O ATOM 0 H ASP A 11 -0.085 -8.699 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.432 -10.456 -6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.930 -10.005 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.409 -10.691 -7.713 1.00 0.00 H new ATOM 241 N ILE A 12 -1.643 -12.321 -5.160 1.00 0.00 N ATOM 242 CA ILE A 12 -1.305 -13.275 -4.111 1.00 0.00 C ATOM 243 C ILE A 12 -1.318 -14.703 -4.643 1.00 0.00 C ATOM 244 O ILE A 12 -2.193 -15.098 -5.415 1.00 0.00 O ATOM 245 CB ILE A 12 -2.278 -13.173 -2.922 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.221 -11.774 -2.306 1.00 0.00 C ATOM 247 CG2 ILE A 12 -1.952 -14.231 -1.879 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.426 -11.439 -1.455 1.00 0.00 C ATOM 0 H ILE A 12 -2.496 -12.543 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.300 -13.026 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.291 -13.348 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.321 -11.691 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.134 -11.037 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.648 -14.146 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.040 -15.221 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.934 -14.085 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.317 -10.433 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.328 -11.490 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.502 -12.153 -0.635 1.00 0.00 H new ATOM 260 N PRO A 13 -0.324 -15.501 -4.221 1.00 0.00 N ATOM 261 CA PRO A 13 -0.200 -16.899 -4.642 1.00 0.00 C ATOM 262 C PRO A 13 -1.293 -17.782 -4.047 1.00 0.00 C ATOM 263 O PRO A 13 -2.238 -17.287 -3.436 1.00 0.00 O ATOM 264 CB PRO A 13 1.172 -17.312 -4.102 1.00 0.00 C ATOM 265 CG PRO A 13 1.414 -16.401 -2.948 1.00 0.00 C ATOM 266 CD PRO A 13 0.753 -15.097 -3.303 1.00 0.00 C ATOM 0 HA PRO A 13 -0.300 -17.010 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.177 -18.356 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.946 -17.203 -4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.995 -16.814 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.482 -16.263 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.361 -14.592 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.451 -14.409 -3.780 1.00 0.00 H new ATOM 274 N GLU A 14 -1.155 -19.091 -4.232 1.00 0.00 N ATOM 275 CA GLU A 14 -2.132 -20.043 -3.714 1.00 0.00 C ATOM 276 C GLU A 14 -1.615 -20.716 -2.446 1.00 0.00 C ATOM 277 O GLU A 14 -2.395 -21.142 -1.596 1.00 0.00 O ATOM 278 CB GLU A 14 -2.457 -21.101 -4.770 1.00 0.00 C ATOM 279 CG GLU A 14 -3.656 -21.964 -4.418 1.00 0.00 C ATOM 280 CD GLU A 14 -3.883 -23.083 -5.415 1.00 0.00 C ATOM 281 OE1 GLU A 14 -3.969 -22.790 -6.627 1.00 0.00 O ATOM 282 OE2 GLU A 14 -3.973 -24.253 -4.986 1.00 0.00 O ATOM 0 H GLU A 14 -0.377 -19.517 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.041 -19.494 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.644 -20.606 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.587 -21.742 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.513 -22.391 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.547 -21.339 -4.370 1.00 0.00 H new ATOM 289 N ASN A 15 -0.295 -20.809 -2.328 1.00 0.00 N ATOM 290 CA ASN A 15 0.327 -21.432 -1.165 1.00 0.00 C ATOM 291 C ASN A 15 0.267 -20.505 0.045 1.00 0.00 C ATOM 292 O ASN A 15 0.769 -20.836 1.119 1.00 0.00 O ATOM 293 CB ASN A 15 1.780 -21.797 -1.471 1.00 0.00 C ATOM 294 CG ASN A 15 2.685 -20.580 -1.509 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.367 -19.575 -2.145 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.821 -20.666 -0.826 1.00 0.00 N ATOM 0 H ASN A 15 0.365 -20.461 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.227 -22.342 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.144 -22.494 -0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.828 -22.313 -2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.470 -19.879 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.044 -21.519 -0.313 1.00 0.00 H new ATOM 303 N VAL A 16 -0.351 -19.343 -0.137 1.00 0.00 N ATOM 304 CA VAL A 16 -0.478 -18.368 0.940 1.00 0.00 C ATOM 305 C VAL A 16 -1.934 -17.965 1.148 1.00 0.00 C ATOM 306 O VAL A 16 -2.691 -17.819 0.188 1.00 0.00 O ATOM 307 CB VAL A 16 0.357 -17.106 0.657 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.356 -16.181 1.865 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.778 -17.484 0.266 1.00 0.00 C ATOM 0 H VAL A 16 -0.772 -19.053 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.103 -18.846 1.845 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.096 -16.572 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.951 -15.295 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.667 -15.883 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.783 -16.702 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.354 -16.580 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.243 -18.041 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.756 -18.102 -0.631 1.00 0.00 H new ATOM 319 N ASP A 17 -2.319 -17.786 2.406 1.00 0.00 N ATOM 320 CA ASP A 17 -3.685 -17.397 2.740 1.00 0.00 C ATOM 321 C ASP A 17 -3.706 -16.052 3.458 1.00 0.00 C ATOM 322 O ASP A 17 -3.016 -15.858 4.459 1.00 0.00 O ATOM 323 CB ASP A 17 -4.342 -18.466 3.615 1.00 0.00 C ATOM 324 CG ASP A 17 -4.986 -19.568 2.797 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.330 -20.076 1.863 1.00 0.00 O ATOM 326 OD2 ASP A 17 -6.145 -19.925 3.092 1.00 0.00 O ATOM 0 H ASP A 17 -1.705 -17.904 3.212 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.247 -17.302 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.593 -18.900 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.096 -18.000 4.249 1.00 0.00 H new ATOM 331 N ILE A 18 -4.503 -15.123 2.939 1.00 0.00 N ATOM 332 CA ILE A 18 -4.614 -13.795 3.529 1.00 0.00 C ATOM 333 C ILE A 18 -6.061 -13.473 3.886 1.00 0.00 C ATOM 334 O ILE A 18 -6.981 -13.750 3.114 1.00 0.00 O ATOM 335 CB ILE A 18 -4.077 -12.710 2.578 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.607 -12.972 2.249 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.248 -11.330 3.199 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.397 -14.150 1.322 1.00 0.00 C ATOM 0 H ILE A 18 -5.081 -15.266 2.111 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.011 -13.800 4.437 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.649 -12.744 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.180 -12.079 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.061 -13.147 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.864 -10.573 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.305 -11.145 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.697 -11.283 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.331 -14.278 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.793 -15.053 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.915 -13.969 0.380 1.00 0.00 H new ATOM 350 N THR A 19 -6.258 -12.881 5.061 1.00 0.00 N ATOM 351 CA THR A 19 -7.593 -12.519 5.520 1.00 0.00 C ATOM 352 C THR A 19 -7.714 -11.013 5.724 1.00 0.00 C ATOM 353 O THR A 19 -6.957 -10.417 6.492 1.00 0.00 O ATOM 354 CB THR A 19 -7.947 -13.235 6.837 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.869 -14.653 6.661 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.344 -12.853 7.301 1.00 0.00 C ATOM 0 H THR A 19 -5.509 -12.642 5.711 1.00 0.00 H new ATOM 0 HA THR A 19 -8.291 -12.835 4.745 1.00 0.00 H new ATOM 0 HB THR A 19 -7.230 -12.924 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.094 -15.100 7.504 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.572 -13.371 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.392 -11.776 7.463 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.071 -13.138 6.540 1.00 0.00 H new ATOM 364 N LEU A 20 -8.671 -10.403 5.033 1.00 0.00 N ATOM 365 CA LEU A 20 -8.892 -8.965 5.140 1.00 0.00 C ATOM 366 C LEU A 20 -10.057 -8.660 6.075 1.00 0.00 C ATOM 367 O LEU A 20 -11.187 -9.088 5.835 1.00 0.00 O ATOM 368 CB LEU A 20 -9.162 -8.366 3.758 1.00 0.00 C ATOM 369 CG LEU A 20 -8.101 -8.636 2.690 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.620 -8.252 1.313 1.00 0.00 C ATOM 371 CD2 LEU A 20 -6.820 -7.881 3.010 1.00 0.00 C ATOM 0 H LEU A 20 -9.306 -10.881 4.393 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.990 -8.515 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.117 -8.750 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.273 -7.287 3.867 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.879 -9.703 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.852 -8.451 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.510 -8.838 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.871 -7.191 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.076 -8.084 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.026 -6.811 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.439 -8.206 3.978 1.00 0.00 H new ATOM 383 N LYS A 21 -9.776 -7.918 7.140 1.00 0.00 N ATOM 384 CA LYS A 21 -10.801 -7.553 8.111 1.00 0.00 C ATOM 385 C LYS A 21 -10.800 -6.048 8.364 1.00 0.00 C ATOM 386 O LYS A 21 -9.982 -5.540 9.130 1.00 0.00 O ATOM 387 CB LYS A 21 -10.578 -8.302 9.426 1.00 0.00 C ATOM 388 CG LYS A 21 -11.091 -9.732 9.406 1.00 0.00 C ATOM 389 CD LYS A 21 -11.100 -10.340 10.798 1.00 0.00 C ATOM 390 CE LYS A 21 -12.093 -11.489 10.898 1.00 0.00 C ATOM 391 NZ LYS A 21 -13.502 -11.004 10.906 1.00 0.00 N ATOM 0 H LYS A 21 -8.846 -7.557 7.353 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.771 -7.834 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.512 -8.310 9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.072 -7.759 10.232 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.099 -9.752 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.465 -10.335 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.101 -10.698 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.354 -9.573 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.948 -12.169 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.900 -12.058 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.128 -11.763 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.583 -10.183 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.779 -10.727 9.943 1.00 0.00 H new ATOM 405 N GLY A 22 -11.723 -5.342 7.718 1.00 0.00 N ATOM 406 CA GLY A 22 -11.810 -3.905 7.888 1.00 0.00 C ATOM 407 C GLY A 22 -10.567 -3.186 7.401 1.00 0.00 C ATOM 408 O GLY A 22 -10.325 -3.097 6.198 1.00 0.00 O ATOM 0 H GLY A 22 -12.412 -5.741 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.678 -3.530 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.969 -3.676 8.942 1.00 0.00 H new ATOM 412 N ARG A 23 -9.777 -2.671 8.339 1.00 0.00 N ATOM 413 CA ARG A 23 -8.554 -1.955 7.999 1.00 0.00 C ATOM 414 C ARG A 23 -7.323 -2.744 8.435 1.00 0.00 C ATOM 415 O ARG A 23 -6.235 -2.187 8.582 1.00 0.00 O ATOM 416 CB ARG A 23 -8.547 -0.575 8.657 1.00 0.00 C ATOM 417 CG ARG A 23 -9.444 0.436 7.961 1.00 0.00 C ATOM 418 CD ARG A 23 -8.692 1.196 6.878 1.00 0.00 C ATOM 419 NE ARG A 23 -9.583 1.665 5.820 1.00 0.00 N ATOM 420 CZ ARG A 23 -10.436 2.672 5.971 1.00 0.00 C ATOM 421 NH1 ARG A 23 -10.514 3.312 7.129 1.00 0.00 N ATOM 422 NH2 ARG A 23 -11.214 3.041 4.961 1.00 0.00 N ATOM 0 H ARG A 23 -9.963 -2.737 9.340 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.522 -1.834 6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.864 -0.675 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.526 -0.193 8.671 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.299 -0.077 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.838 1.140 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.178 2.048 7.323 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.926 0.551 6.448 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.548 1.194 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.918 3.032 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.170 4.085 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.157 2.551 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.869 3.814 5.078 1.00 0.00 H new ATOM 436 N THR A 24 -7.502 -4.045 8.642 1.00 0.00 N ATOM 437 CA THR A 24 -6.408 -4.910 9.063 1.00 0.00 C ATOM 438 C THR A 24 -6.148 -6.007 8.036 1.00 0.00 C ATOM 439 O THR A 24 -7.058 -6.742 7.654 1.00 0.00 O ATOM 440 CB THR A 24 -6.699 -5.561 10.429 1.00 0.00 C ATOM 441 OG1 THR A 24 -6.962 -4.549 11.407 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.527 -6.419 10.881 1.00 0.00 C ATOM 0 H THR A 24 -8.396 -4.523 8.525 1.00 0.00 H new ATOM 0 HA THR A 24 -5.523 -4.280 9.150 1.00 0.00 H new ATOM 0 HB THR A 24 -7.576 -6.200 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.148 -4.970 12.272 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.756 -6.868 11.848 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.349 -7.206 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.635 -5.799 10.971 1.00 0.00 H new ATOM 450 N VAL A 25 -4.899 -6.111 7.593 1.00 0.00 N ATOM 451 CA VAL A 25 -4.518 -7.119 6.611 1.00 0.00 C ATOM 452 C VAL A 25 -3.735 -8.253 7.263 1.00 0.00 C ATOM 453 O VAL A 25 -2.647 -8.041 7.801 1.00 0.00 O ATOM 454 CB VAL A 25 -3.671 -6.509 5.480 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.246 -7.584 4.490 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.439 -5.399 4.777 1.00 0.00 C ATOM 0 H VAL A 25 -4.134 -5.510 7.899 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.442 -7.515 6.189 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.772 -6.076 5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.648 -7.133 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.654 -8.340 5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.131 -8.050 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.825 -4.979 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.357 -5.805 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.686 -4.617 5.495 1.00 0.00 H new ATOM 466 N ILE A 26 -4.293 -9.458 7.211 1.00 0.00 N ATOM 467 CA ILE A 26 -3.646 -10.625 7.795 1.00 0.00 C ATOM 468 C ILE A 26 -3.068 -11.532 6.713 1.00 0.00 C ATOM 469 O ILE A 26 -3.741 -11.856 5.734 1.00 0.00 O ATOM 470 CB ILE A 26 -4.627 -11.439 8.661 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.246 -10.550 9.740 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.917 -12.629 9.289 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.525 -11.109 10.323 1.00 0.00 C ATOM 0 H ILE A 26 -5.192 -9.651 6.770 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.838 -10.255 8.426 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.427 -11.814 8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.522 -10.409 10.542 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.449 -9.566 9.317 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.623 -13.194 9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.520 -13.272 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.099 -12.275 9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.908 -10.426 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.266 -11.224 9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.324 -12.080 10.776 1.00 0.00 H new ATOM 485 N VAL A 27 -1.816 -11.940 6.897 1.00 0.00 N ATOM 486 CA VAL A 27 -1.148 -12.812 5.939 1.00 0.00 C ATOM 487 C VAL A 27 -0.641 -14.082 6.614 1.00 0.00 C ATOM 488 O VAL A 27 0.011 -14.027 7.657 1.00 0.00 O ATOM 489 CB VAL A 27 0.035 -12.097 5.261 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.740 -13.034 4.290 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.440 -10.839 4.549 1.00 0.00 C ATOM 0 H VAL A 27 -1.244 -11.680 7.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.886 -13.076 5.182 1.00 0.00 H new ATOM 0 HB VAL A 27 0.749 -11.804 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.573 -12.511 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.115 -13.903 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.037 -13.359 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.409 -10.346 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.174 -11.106 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.896 -10.162 5.272 1.00 0.00 H new ATOM 501 N LYS A 28 -0.942 -15.227 6.010 1.00 0.00 N ATOM 502 CA LYS A 28 -0.517 -16.512 6.549 1.00 0.00 C ATOM 503 C LYS A 28 0.319 -17.280 5.530 1.00 0.00 C ATOM 504 O LYS A 28 -0.087 -17.449 4.381 1.00 0.00 O ATOM 505 CB LYS A 28 -1.733 -17.346 6.958 1.00 0.00 C ATOM 506 CG LYS A 28 -1.439 -18.354 8.054 1.00 0.00 C ATOM 507 CD LYS A 28 -2.662 -19.196 8.381 1.00 0.00 C ATOM 508 CE LYS A 28 -2.311 -20.355 9.301 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.667 -21.475 8.561 1.00 0.00 N ATOM 0 H LYS A 28 -1.480 -15.290 5.146 1.00 0.00 H new ATOM 0 HA LYS A 28 0.098 -16.322 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.525 -16.677 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.112 -17.874 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.622 -19.004 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.106 -17.831 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.419 -18.571 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.097 -19.581 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.640 -20.005 10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.215 -20.716 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.443 -22.245 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.316 -21.826 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.791 -21.137 8.114 1.00 0.00 H new ATOM 523 N GLY A 29 1.489 -17.745 5.959 1.00 0.00 N ATOM 524 CA GLY A 29 2.361 -18.490 5.071 1.00 0.00 C ATOM 525 C GLY A 29 2.907 -19.748 5.718 1.00 0.00 C ATOM 526 O GLY A 29 2.857 -19.919 6.935 1.00 0.00 O ATOM 0 H GLY A 29 1.848 -17.619 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.812 -18.758 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.191 -17.854 4.763 1.00 0.00 H new ATOM 530 N PRO A 30 3.444 -20.658 4.890 1.00 0.00 N ATOM 531 CA PRO A 30 4.011 -21.923 5.365 1.00 0.00 C ATOM 532 C PRO A 30 5.308 -21.721 6.142 1.00 0.00 C ATOM 533 O PRO A 30 5.940 -22.686 6.572 1.00 0.00 O ATOM 534 CB PRO A 30 4.277 -22.700 4.074 1.00 0.00 C ATOM 535 CG PRO A 30 4.445 -21.651 3.029 1.00 0.00 C ATOM 536 CD PRO A 30 3.539 -20.521 3.427 1.00 0.00 C ATOM 0 HA PRO A 30 3.342 -22.435 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.170 -23.319 4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.449 -23.367 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.482 -21.319 2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.180 -22.035 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.953 -19.554 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.562 -20.603 2.952 1.00 0.00 H new ATOM 544 N ARG A 31 5.697 -20.463 6.318 1.00 0.00 N ATOM 545 CA ARG A 31 6.919 -20.136 7.043 1.00 0.00 C ATOM 546 C ARG A 31 6.613 -19.270 8.262 1.00 0.00 C ATOM 547 O ARG A 31 7.497 -18.976 9.066 1.00 0.00 O ATOM 548 CB ARG A 31 7.904 -19.411 6.124 1.00 0.00 C ATOM 549 CG ARG A 31 8.097 -20.093 4.779 1.00 0.00 C ATOM 550 CD ARG A 31 9.222 -21.116 4.829 1.00 0.00 C ATOM 551 NE ARG A 31 8.739 -22.442 5.207 1.00 0.00 N ATOM 552 CZ ARG A 31 9.536 -23.431 5.594 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.847 -23.245 5.655 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.022 -24.610 5.922 1.00 0.00 N ATOM 0 H ARG A 31 5.184 -19.653 5.969 1.00 0.00 H new ATOM 0 HA ARG A 31 7.369 -21.068 7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.551 -18.393 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.869 -19.337 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.170 -20.584 4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.318 -19.344 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.706 -21.171 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.978 -20.789 5.542 1.00 0.00 H new ATOM 0 HE ARG A 31 7.735 -22.618 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.246 -22.340 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.457 -24.007 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.014 -24.757 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.635 -25.369 6.219 1.00 0.00 H new ATOM 568 N GLY A 32 5.354 -18.863 8.391 1.00 0.00 N ATOM 569 CA GLY A 32 4.954 -18.033 9.512 1.00 0.00 C ATOM 570 C GLY A 32 3.710 -17.219 9.218 1.00 0.00 C ATOM 571 O GLY A 32 3.195 -17.241 8.099 1.00 0.00 O ATOM 0 H GLY A 32 4.604 -19.093 7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.773 -18.665 10.381 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.771 -17.360 9.771 1.00 0.00 H new ATOM 575 N THR A 33 3.223 -16.499 10.224 1.00 0.00 N ATOM 576 CA THR A 33 2.029 -15.677 10.068 1.00 0.00 C ATOM 577 C THR A 33 2.319 -14.219 10.406 1.00 0.00 C ATOM 578 O THR A 33 2.798 -13.907 11.497 1.00 0.00 O ATOM 579 CB THR A 33 0.880 -16.181 10.960 1.00 0.00 C ATOM 580 OG1 THR A 33 0.655 -17.577 10.730 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.399 -15.404 10.686 1.00 0.00 C ATOM 0 H THR A 33 3.637 -16.468 11.156 1.00 0.00 H new ATOM 0 HA THR A 33 1.727 -15.752 9.023 1.00 0.00 H new ATOM 0 HB THR A 33 1.164 -16.027 12.001 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.076 -17.889 11.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.197 -15.778 11.328 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.233 -14.346 10.892 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.685 -15.530 9.642 1.00 0.00 H new ATOM 589 N LEU A 34 2.025 -13.330 9.465 1.00 0.00 N ATOM 590 CA LEU A 34 2.252 -11.902 9.663 1.00 0.00 C ATOM 591 C LEU A 34 0.999 -11.099 9.329 1.00 0.00 C ATOM 592 O LEU A 34 0.327 -11.365 8.332 1.00 0.00 O ATOM 593 CB LEU A 34 3.421 -11.428 8.799 1.00 0.00 C ATOM 594 CG LEU A 34 4.704 -12.256 8.891 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.738 -11.749 7.898 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.259 -12.223 10.306 1.00 0.00 C ATOM 0 H LEU A 34 1.629 -13.572 8.557 1.00 0.00 H new ATOM 0 HA LEU A 34 2.495 -11.740 10.713 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.095 -11.414 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.656 -10.400 9.073 1.00 0.00 H new ATOM 0 HG LEU A 34 4.466 -13.290 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.644 -12.350 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.339 -11.826 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.973 -10.707 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.172 -12.817 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.482 -11.193 10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.522 -12.635 10.996 1.00 0.00 H new ATOM 608 N ARG A 35 0.692 -10.115 10.168 1.00 0.00 N ATOM 609 CA ARG A 35 -0.480 -9.272 9.960 1.00 0.00 C ATOM 610 C ARG A 35 -0.143 -7.804 10.205 1.00 0.00 C ATOM 611 O ARG A 35 0.830 -7.485 10.889 1.00 0.00 O ATOM 612 CB ARG A 35 -1.617 -9.707 10.887 1.00 0.00 C ATOM 613 CG ARG A 35 -1.262 -9.633 12.363 1.00 0.00 C ATOM 614 CD ARG A 35 -2.108 -10.591 13.188 1.00 0.00 C ATOM 615 NE ARG A 35 -3.493 -10.139 13.301 1.00 0.00 N ATOM 616 CZ ARG A 35 -4.396 -10.727 14.078 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.062 -11.784 14.806 1.00 0.00 N ATOM 618 NH2 ARG A 35 -5.636 -10.257 14.128 1.00 0.00 N ATOM 0 H ARG A 35 1.238 -9.882 10.998 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.800 -9.386 8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.488 -9.079 10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.903 -10.730 10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.207 -9.870 12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.408 -8.615 12.723 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.086 -11.580 12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.676 -10.690 14.184 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.782 -9.328 12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.110 -12.148 14.770 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.757 -12.233 15.402 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.896 -9.444 13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.329 -10.709 14.725 1.00 0.00 H new ATOM 632 N ARG A 36 -0.954 -6.915 9.642 1.00 0.00 N ATOM 633 CA ARG A 36 -0.742 -5.480 9.798 1.00 0.00 C ATOM 634 C ARG A 36 -2.072 -4.745 9.926 1.00 0.00 C ATOM 635 O ARG A 36 -3.060 -5.112 9.290 1.00 0.00 O ATOM 636 CB ARG A 36 0.046 -4.928 8.608 1.00 0.00 C ATOM 637 CG ARG A 36 0.836 -3.672 8.932 1.00 0.00 C ATOM 638 CD ARG A 36 2.077 -3.990 9.752 1.00 0.00 C ATOM 639 NE ARG A 36 1.783 -4.077 11.179 1.00 0.00 N ATOM 640 CZ ARG A 36 1.379 -3.044 11.911 1.00 0.00 C ATOM 641 NH1 ARG A 36 1.224 -1.852 11.353 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.131 -3.203 13.205 1.00 0.00 N ATOM 0 H ARG A 36 -1.764 -7.162 9.074 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.169 -5.319 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.731 -5.696 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.646 -4.712 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.128 -3.175 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.204 -2.975 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.504 -4.933 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.830 -3.220 9.583 1.00 0.00 H new ATOM 0 HE ARG A 36 1.894 -4.980 11.640 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.415 -1.725 10.359 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.914 -1.061 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.250 -4.119 13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.821 -2.410 13.766 1.00 0.00 H new ATOM 656 N ASP A 37 -2.090 -3.705 10.753 1.00 0.00 N ATOM 657 CA ASP A 37 -3.299 -2.917 10.965 1.00 0.00 C ATOM 658 C ASP A 37 -3.090 -1.473 10.520 1.00 0.00 C ATOM 659 O ASP A 37 -2.148 -0.809 10.953 1.00 0.00 O ATOM 660 CB ASP A 37 -3.707 -2.957 12.438 1.00 0.00 C ATOM 661 CG ASP A 37 -4.548 -1.761 12.838 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.260 -1.217 11.967 1.00 0.00 O ATOM 663 OD2 ASP A 37 -4.495 -1.367 14.022 1.00 0.00 O ATOM 0 H ASP A 37 -1.281 -3.388 11.287 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.098 -3.351 10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.266 -3.872 12.632 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.812 -2.992 13.059 1.00 0.00 H new ATOM 668 N PHE A 38 -3.975 -0.993 9.653 1.00 0.00 N ATOM 669 CA PHE A 38 -3.887 0.373 9.148 1.00 0.00 C ATOM 670 C PHE A 38 -5.150 1.160 9.487 1.00 0.00 C ATOM 671 O PHE A 38 -5.711 1.851 8.636 1.00 0.00 O ATOM 672 CB PHE A 38 -3.669 0.366 7.634 1.00 0.00 C ATOM 673 CG PHE A 38 -2.637 -0.628 7.182 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.285 -0.367 7.346 1.00 0.00 C ATOM 675 CD2 PHE A 38 -3.017 -1.824 6.595 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.334 -1.279 6.931 1.00 0.00 C ATOM 677 CE2 PHE A 38 -2.070 -2.741 6.178 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.727 -2.468 6.347 1.00 0.00 C ATOM 0 H PHE A 38 -4.761 -1.529 9.285 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.037 0.858 9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.615 0.146 7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.367 1.363 7.314 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.972 0.560 7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.066 -2.043 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.716 -1.063 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.380 -3.669 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.015 -3.183 6.023 1.00 0.00 H new ATOM 688 N ASN A 39 -5.592 1.050 10.736 1.00 0.00 N ATOM 689 CA ASN A 39 -6.788 1.751 11.187 1.00 0.00 C ATOM 690 C ASN A 39 -6.486 3.219 11.466 1.00 0.00 C ATOM 691 O ASN A 39 -7.281 4.101 11.138 1.00 0.00 O ATOM 692 CB ASN A 39 -7.350 1.086 12.446 1.00 0.00 C ATOM 693 CG ASN A 39 -8.321 -0.034 12.125 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.446 0.211 11.690 1.00 0.00 O ATOM 695 ND2 ASN A 39 -7.889 -1.271 12.338 1.00 0.00 N ATOM 0 H ASN A 39 -5.140 0.482 11.453 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.532 1.697 10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.528 0.690 13.042 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.854 1.836 13.056 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.498 -2.065 12.140 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.948 -1.427 12.700 1.00 0.00 H new ATOM 702 N HIS A 40 -5.332 3.476 12.074 1.00 0.00 N ATOM 703 CA HIS A 40 -4.923 4.838 12.395 1.00 0.00 C ATOM 704 C HIS A 40 -4.691 5.651 11.125 1.00 0.00 C ATOM 705 O HIS A 40 -4.600 6.878 11.171 1.00 0.00 O ATOM 706 CB HIS A 40 -3.653 4.825 13.246 1.00 0.00 C ATOM 707 CG HIS A 40 -2.441 4.351 12.505 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.261 3.038 12.119 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.346 5.021 12.077 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.106 2.923 11.487 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.532 4.111 11.448 1.00 0.00 N ATOM 0 H HIS A 40 -4.664 2.758 12.354 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.727 5.307 12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.468 5.831 13.623 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.813 4.184 14.113 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.149 6.075 12.206 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.701 2.012 11.073 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.370 4.319 11.020 1.00 0.00 H new ATOM 719 N ILE A 41 -4.597 4.958 9.996 1.00 0.00 N ATOM 720 CA ILE A 41 -4.375 5.616 8.714 1.00 0.00 C ATOM 721 C ILE A 41 -5.646 5.622 7.872 1.00 0.00 C ATOM 722 O ILE A 41 -6.382 4.636 7.833 1.00 0.00 O ATOM 723 CB ILE A 41 -3.248 4.932 7.918 1.00 0.00 C ATOM 724 CG1 ILE A 41 -1.944 4.953 8.716 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.062 5.614 6.570 1.00 0.00 C ATOM 726 CD1 ILE A 41 -0.768 4.364 7.968 1.00 0.00 C ATOM 0 H ILE A 41 -4.671 3.942 9.942 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.082 6.643 8.933 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.527 3.893 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.712 5.982 8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.087 4.401 9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.262 5.119 6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.989 5.551 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.802 6.661 6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.123 4.412 8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.980 3.325 7.718 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.599 4.931 7.052 1.00 0.00 H new ATOM 738 N ASN A 42 -5.898 6.739 7.198 1.00 0.00 N ATOM 739 CA ASN A 42 -7.081 6.872 6.354 1.00 0.00 C ATOM 740 C ASN A 42 -6.753 6.543 4.901 1.00 0.00 C ATOM 741 O ASN A 42 -5.996 7.261 4.246 1.00 0.00 O ATOM 742 CB ASN A 42 -7.645 8.292 6.453 1.00 0.00 C ATOM 743 CG ASN A 42 -8.689 8.573 5.390 1.00 0.00 C ATOM 744 OD1 ASN A 42 -9.292 7.653 4.836 1.00 0.00 O ATOM 745 ND2 ASN A 42 -8.908 9.851 5.100 1.00 0.00 N ATOM 0 H ASN A 42 -5.300 7.565 7.219 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.831 6.164 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.086 8.437 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.831 9.011 6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.599 10.102 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.385 10.581 5.584 1.00 0.00 H new ATOM 752 N VAL A 43 -7.328 5.453 4.403 1.00 0.00 N ATOM 753 CA VAL A 43 -7.099 5.029 3.027 1.00 0.00 C ATOM 754 C VAL A 43 -8.285 4.234 2.492 1.00 0.00 C ATOM 755 O VAL A 43 -9.237 3.956 3.221 1.00 0.00 O ATOM 756 CB VAL A 43 -5.825 4.171 2.909 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.585 5.054 2.903 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.761 3.155 4.039 1.00 0.00 C ATOM 0 H VAL A 43 -7.956 4.848 4.932 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.975 5.935 2.433 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.859 3.628 1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.695 4.431 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.630 5.738 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.541 5.626 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.855 2.557 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.750 3.676 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.633 2.502 3.991 1.00 0.00 H new ATOM 768 N GLU A 44 -8.220 3.872 1.215 1.00 0.00 N ATOM 769 CA GLU A 44 -9.290 3.109 0.583 1.00 0.00 C ATOM 770 C GLU A 44 -8.793 1.732 0.149 1.00 0.00 C ATOM 771 O GLU A 44 -7.711 1.603 -0.425 1.00 0.00 O ATOM 772 CB GLU A 44 -9.842 3.868 -0.626 1.00 0.00 C ATOM 773 CG GLU A 44 -10.835 4.958 -0.259 1.00 0.00 C ATOM 774 CD GLU A 44 -10.560 5.563 1.106 1.00 0.00 C ATOM 775 OE1 GLU A 44 -9.562 6.303 1.235 1.00 0.00 O ATOM 776 OE2 GLU A 44 -11.340 5.294 2.042 1.00 0.00 O ATOM 0 H GLU A 44 -7.439 4.094 0.598 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.087 2.975 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.012 4.314 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.325 3.160 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.802 5.744 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.844 4.545 -0.273 1.00 0.00 H new ATOM 783 N LEU A 45 -9.591 0.709 0.427 1.00 0.00 N ATOM 784 CA LEU A 45 -9.235 -0.660 0.067 1.00 0.00 C ATOM 785 C LEU A 45 -10.436 -1.402 -0.510 1.00 0.00 C ATOM 786 O LEU A 45 -11.580 -0.979 -0.339 1.00 0.00 O ATOM 787 CB LEU A 45 -8.697 -1.406 1.289 1.00 0.00 C ATOM 788 CG LEU A 45 -7.673 -0.653 2.138 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.580 -1.264 3.529 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.311 -0.658 1.460 1.00 0.00 C ATOM 0 H LEU A 45 -10.490 0.800 0.901 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.458 -0.618 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.540 -1.675 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.244 -2.338 0.950 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.003 0.381 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.846 -0.715 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.553 -1.208 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.274 -2.307 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.595 -0.117 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.974 -1.686 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.387 -0.174 0.486 1.00 0.00 H new ATOM 802 N SER A 46 -10.168 -2.511 -1.191 1.00 0.00 N ATOM 803 CA SER A 46 -11.228 -3.312 -1.794 1.00 0.00 C ATOM 804 C SER A 46 -10.739 -4.728 -2.085 1.00 0.00 C ATOM 805 O SER A 46 -9.557 -4.946 -2.357 1.00 0.00 O ATOM 806 CB SER A 46 -11.720 -2.656 -3.085 1.00 0.00 C ATOM 807 OG SER A 46 -12.227 -1.356 -2.834 1.00 0.00 O ATOM 0 H SER A 46 -9.227 -2.876 -1.339 1.00 0.00 H new ATOM 0 HA SER A 46 -12.055 -3.369 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.902 -2.599 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.497 -3.272 -3.537 1.00 0.00 H new ATOM 0 HG SER A 46 -12.363 -1.238 -1.871 1.00 0.00 H new ATOM 813 N LEU A 47 -11.655 -5.687 -2.025 1.00 0.00 N ATOM 814 CA LEU A 47 -11.320 -7.084 -2.282 1.00 0.00 C ATOM 815 C LEU A 47 -11.695 -7.481 -3.706 1.00 0.00 C ATOM 816 O LEU A 47 -12.825 -7.265 -4.145 1.00 0.00 O ATOM 817 CB LEU A 47 -12.036 -7.993 -1.281 1.00 0.00 C ATOM 818 CG LEU A 47 -11.332 -9.308 -0.948 1.00 0.00 C ATOM 819 CD1 LEU A 47 -11.770 -9.817 0.418 1.00 0.00 C ATOM 820 CD2 LEU A 47 -11.613 -10.351 -2.021 1.00 0.00 C ATOM 0 H LEU A 47 -12.636 -5.524 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.243 -7.201 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.181 -7.437 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.027 -8.223 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.258 -9.125 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.259 -10.754 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.518 -9.079 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.847 -9.983 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.104 -11.281 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.686 -10.530 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.250 -9.990 -2.983 1.00 0.00 H new ATOM 832 N LEU A 48 -10.741 -8.064 -4.423 1.00 0.00 N ATOM 833 CA LEU A 48 -10.971 -8.495 -5.797 1.00 0.00 C ATOM 834 C LEU A 48 -10.808 -10.005 -5.930 1.00 0.00 C ATOM 835 O LEU A 48 -9.882 -10.592 -5.369 1.00 0.00 O ATOM 836 CB LEU A 48 -10.005 -7.781 -6.745 1.00 0.00 C ATOM 837 CG LEU A 48 -9.813 -6.283 -6.503 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.982 -5.666 -7.618 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.160 -5.584 -6.390 1.00 0.00 C ATOM 0 H LEU A 48 -9.800 -8.249 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.995 -8.234 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.032 -8.268 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.359 -7.921 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.278 -6.151 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.855 -4.600 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.005 -6.147 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.490 -5.808 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.004 -4.519 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.721 -5.724 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.721 -6.008 -5.557 1.00 0.00 H new ATOM 851 N GLY A 49 -11.712 -10.630 -6.677 1.00 0.00 N ATOM 852 CA GLY A 49 -11.650 -12.067 -6.871 1.00 0.00 C ATOM 853 C GLY A 49 -12.173 -12.492 -8.229 1.00 0.00 C ATOM 854 O GLY A 49 -13.220 -13.133 -8.327 1.00 0.00 O ATOM 0 H GLY A 49 -12.487 -10.167 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.618 -12.401 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.229 -12.561 -6.091 1.00 0.00 H new ATOM 858 N LYS A 50 -11.445 -12.133 -9.281 1.00 0.00 N ATOM 859 CA LYS A 50 -11.840 -12.480 -10.640 1.00 0.00 C ATOM 860 C LYS A 50 -11.283 -13.843 -11.039 1.00 0.00 C ATOM 861 O LYS A 50 -12.001 -14.686 -11.576 1.00 0.00 O ATOM 862 CB LYS A 50 -11.356 -11.411 -11.623 1.00 0.00 C ATOM 863 CG LYS A 50 -12.222 -11.289 -12.865 1.00 0.00 C ATOM 864 CD LYS A 50 -11.875 -12.352 -13.894 1.00 0.00 C ATOM 865 CE LYS A 50 -12.852 -12.340 -15.059 1.00 0.00 C ATOM 866 NZ LYS A 50 -12.776 -11.070 -15.834 1.00 0.00 N ATOM 0 H LYS A 50 -10.577 -11.601 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.928 -12.529 -10.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.328 -10.448 -11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.334 -11.642 -11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.272 -11.379 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.092 -10.300 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.864 -12.185 -14.264 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.883 -13.334 -13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.641 -13.181 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.866 -12.476 -14.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.395 -11.134 -16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.084 -10.278 -15.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.796 -10.910 -16.142 1.00 0.00 H new ATOM 880 N LYS A 51 -9.998 -14.052 -10.771 1.00 0.00 N ATOM 881 CA LYS A 51 -9.344 -15.314 -11.098 1.00 0.00 C ATOM 882 C LYS A 51 -8.557 -15.844 -9.904 1.00 0.00 C ATOM 883 O LYS A 51 -8.574 -17.041 -9.618 1.00 0.00 O ATOM 884 CB LYS A 51 -8.411 -15.132 -12.297 1.00 0.00 C ATOM 885 CG LYS A 51 -9.144 -14.975 -13.619 1.00 0.00 C ATOM 886 CD LYS A 51 -8.186 -14.643 -14.751 1.00 0.00 C ATOM 887 CE LYS A 51 -7.255 -15.807 -15.052 1.00 0.00 C ATOM 888 NZ LYS A 51 -6.026 -15.768 -14.212 1.00 0.00 N ATOM 0 H LYS A 51 -9.389 -13.364 -10.328 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.116 -16.040 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.786 -14.254 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.743 -15.991 -12.361 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.678 -15.896 -13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.891 -14.187 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.753 -14.388 -15.646 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.598 -13.764 -14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.781 -16.746 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.975 -15.785 -16.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.186 -15.771 -14.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.029 -14.904 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.004 -16.601 -13.590 1.00 0.00 H new ATOM 902 N LYS A 52 -7.870 -14.945 -9.208 1.00 0.00 N ATOM 903 CA LYS A 52 -7.078 -15.321 -8.043 1.00 0.00 C ATOM 904 C LYS A 52 -7.139 -14.238 -6.971 1.00 0.00 C ATOM 905 O LYS A 52 -7.160 -13.046 -7.279 1.00 0.00 O ATOM 906 CB LYS A 52 -5.623 -15.572 -8.447 1.00 0.00 C ATOM 907 CG LYS A 52 -5.434 -16.817 -9.296 1.00 0.00 C ATOM 908 CD LYS A 52 -3.964 -17.085 -9.572 1.00 0.00 C ATOM 909 CE LYS A 52 -3.759 -18.441 -10.230 1.00 0.00 C ATOM 910 NZ LYS A 52 -3.840 -18.356 -11.715 1.00 0.00 N ATOM 0 H LYS A 52 -7.846 -13.950 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.497 -16.239 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.253 -14.707 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.015 -15.660 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.872 -17.676 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.967 -16.700 -10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.565 -16.302 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.404 -17.044 -8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.787 -18.841 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.512 -19.139 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.695 -19.301 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.777 -17.998 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.105 -17.710 -12.066 1.00 0.00 H new ATOM 924 N LYS A 53 -7.166 -14.659 -5.711 1.00 0.00 N ATOM 925 CA LYS A 53 -7.222 -13.726 -4.592 1.00 0.00 C ATOM 926 C LYS A 53 -6.299 -12.534 -4.831 1.00 0.00 C ATOM 927 O LYS A 53 -5.076 -12.669 -4.801 1.00 0.00 O ATOM 928 CB LYS A 53 -6.833 -14.432 -3.291 1.00 0.00 C ATOM 929 CG LYS A 53 -8.002 -15.101 -2.590 1.00 0.00 C ATOM 930 CD LYS A 53 -7.805 -15.134 -1.084 1.00 0.00 C ATOM 931 CE LYS A 53 -8.380 -13.892 -0.420 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.505 -14.060 1.055 1.00 0.00 N ATOM 0 H LYS A 53 -7.150 -15.642 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.245 -13.361 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.072 -15.182 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.381 -13.706 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.923 -14.567 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.118 -16.118 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.284 -16.023 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.742 -15.210 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.741 -13.036 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.360 -13.673 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.272 -13.453 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.720 -15.054 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.611 -13.790 1.512 1.00 0.00 H new ATOM 946 N ARG A 54 -6.893 -11.370 -5.067 1.00 0.00 N ATOM 947 CA ARG A 54 -6.125 -10.155 -5.311 1.00 0.00 C ATOM 948 C ARG A 54 -6.591 -9.024 -4.398 1.00 0.00 C ATOM 949 O ARG A 54 -7.774 -8.927 -4.066 1.00 0.00 O ATOM 950 CB ARG A 54 -6.253 -9.730 -6.775 1.00 0.00 C ATOM 951 CG ARG A 54 -5.295 -10.454 -7.705 1.00 0.00 C ATOM 952 CD ARG A 54 -5.397 -9.928 -9.129 1.00 0.00 C ATOM 953 NE ARG A 54 -6.597 -10.414 -9.806 1.00 0.00 N ATOM 954 CZ ARG A 54 -7.785 -9.829 -9.707 1.00 0.00 C ATOM 955 NH1 ARG A 54 -7.932 -8.742 -8.961 1.00 0.00 N ATOM 956 NH2 ARG A 54 -8.829 -10.330 -10.354 1.00 0.00 N ATOM 0 H ARG A 54 -7.905 -11.242 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.078 -10.367 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.275 -9.909 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.077 -8.657 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.274 -10.333 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.513 -11.522 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.406 -8.838 -9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.515 -10.232 -9.692 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.518 -11.249 -10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.132 -8.354 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.845 -8.294 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.720 -11.166 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.741 -9.880 -10.277 1.00 0.00 H new ATOM 970 N LEU A 55 -5.656 -8.171 -3.995 1.00 0.00 N ATOM 971 CA LEU A 55 -5.970 -7.047 -3.121 1.00 0.00 C ATOM 972 C LEU A 55 -5.905 -5.729 -3.885 1.00 0.00 C ATOM 973 O LEU A 55 -4.938 -5.460 -4.599 1.00 0.00 O ATOM 974 CB LEU A 55 -5.002 -7.011 -1.936 1.00 0.00 C ATOM 975 CG LEU A 55 -5.037 -5.745 -1.080 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.391 -5.595 -0.404 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.922 -5.770 -0.045 1.00 0.00 C ATOM 0 H LEU A 55 -4.673 -8.237 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.986 -7.180 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.213 -7.866 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.989 -7.141 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.882 -4.885 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.397 -4.688 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.171 -5.530 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.576 -6.459 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.962 -4.861 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.046 -6.638 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.958 -5.829 -0.550 1.00 0.00 H new ATOM 989 N ARG A 56 -6.939 -4.908 -3.728 1.00 0.00 N ATOM 990 CA ARG A 56 -7.000 -3.617 -4.402 1.00 0.00 C ATOM 991 C ARG A 56 -6.708 -2.481 -3.427 1.00 0.00 C ATOM 992 O ARG A 56 -7.438 -2.279 -2.456 1.00 0.00 O ATOM 993 CB ARG A 56 -8.375 -3.416 -5.042 1.00 0.00 C ATOM 994 CG ARG A 56 -8.508 -2.103 -5.797 1.00 0.00 C ATOM 995 CD ARG A 56 -9.879 -1.970 -6.443 1.00 0.00 C ATOM 996 NE ARG A 56 -9.998 -0.742 -7.226 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.988 -0.508 -8.079 1.00 0.00 C ATOM 998 NH1 ARG A 56 -11.941 -1.413 -8.260 1.00 0.00 N ATOM 999 NH2 ARG A 56 -11.027 0.634 -8.755 1.00 0.00 N ATOM 0 H ARG A 56 -7.746 -5.115 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.240 -3.606 -5.183 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.572 -4.241 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.138 -3.458 -4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.344 -1.270 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.736 -2.043 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.061 -2.830 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.647 -1.983 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.281 -0.025 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.915 -2.292 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.700 -1.230 -8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.296 1.332 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.788 0.813 -9.410 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.636 -1.741 -3.693 1.00 0.00 N ATOM 1014 CA VAL A 57 -5.248 -0.624 -2.839 1.00 0.00 C ATOM 1015 C VAL A 57 -5.634 0.710 -3.469 1.00 0.00 C ATOM 1016 O VAL A 57 -5.209 1.028 -4.580 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.733 -0.629 -2.562 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.352 0.528 -1.652 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.307 -1.958 -1.955 1.00 0.00 C ATOM 0 H VAL A 57 -5.021 -1.895 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.783 -0.746 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.208 -0.503 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.278 0.508 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.620 1.470 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.884 0.437 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.234 -1.944 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.839 -2.117 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.543 -2.766 -2.647 1.00 0.00 H new ATOM 1029 N ASP A 58 -6.440 1.484 -2.753 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.882 2.786 -3.241 1.00 0.00 C ATOM 1031 C ASP A 58 -6.200 3.914 -2.475 1.00 0.00 C ATOM 1032 O ASP A 58 -6.323 4.015 -1.254 1.00 0.00 O ATOM 1033 CB ASP A 58 -8.401 2.912 -3.113 1.00 0.00 C ATOM 1034 CG ASP A 58 -9.136 2.262 -4.269 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -8.907 1.059 -4.515 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -9.940 2.955 -4.927 1.00 0.00 O ATOM 0 H ASP A 58 -6.801 1.234 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.605 2.866 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.723 2.454 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.672 3.966 -3.061 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.478 4.762 -3.200 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.774 5.883 -2.591 1.00 0.00 C ATOM 1043 C LYS A 59 -5.714 7.065 -2.379 1.00 0.00 C ATOM 1044 O LYS A 59 -6.811 7.105 -2.937 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.593 6.309 -3.467 1.00 0.00 C ATOM 1046 CG LYS A 59 -3.949 6.453 -4.938 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.791 7.027 -5.737 1.00 0.00 C ATOM 1048 CE LYS A 59 -3.275 7.716 -7.004 1.00 0.00 C ATOM 1049 NZ LYS A 59 -2.229 8.600 -7.589 1.00 0.00 N ATOM 0 H LYS A 59 -5.365 4.693 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.400 5.559 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.204 7.259 -3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.793 5.576 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.225 5.480 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.820 7.100 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.241 7.739 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.097 6.228 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.567 6.964 -7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.164 8.305 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.598 9.051 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.968 9.333 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.389 8.034 -7.827 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.278 8.025 -1.572 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.082 9.209 -1.287 1.00 0.00 C ATOM 1065 C TRP A 60 -6.519 9.892 -2.579 1.00 0.00 C ATOM 1066 O TRP A 60 -6.117 9.492 -3.671 1.00 0.00 O ATOM 1067 CB TRP A 60 -5.293 10.189 -0.419 1.00 0.00 C ATOM 1068 CG TRP A 60 -4.918 9.629 0.919 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.840 8.309 1.263 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -4.571 10.371 2.093 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -4.466 8.187 2.578 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -4.294 9.437 3.111 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -4.465 11.734 2.383 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -3.920 9.825 4.395 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -4.094 12.117 3.658 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -3.825 11.165 4.651 1.00 0.00 C ATOM 0 H TRP A 60 -4.372 8.007 -1.103 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.973 8.892 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.387 10.484 -0.948 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.885 11.092 -0.274 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.043 7.483 0.598 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.337 7.307 3.078 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -4.669 12.475 1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.712 9.093 5.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.010 13.168 3.893 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -3.537 11.496 5.638 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.345 10.924 -2.446 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.836 11.663 -3.603 1.00 0.00 C ATOM 1089 C TRP A 61 -7.459 13.137 -3.509 1.00 0.00 C ATOM 1090 O TRP A 61 -8.268 14.015 -3.805 1.00 0.00 O ATOM 1091 CB TRP A 61 -9.355 11.519 -3.719 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.844 10.131 -3.433 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -9.178 8.963 -3.671 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -11.102 9.767 -2.857 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.947 7.894 -3.278 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -11.133 8.362 -2.774 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -12.207 10.492 -2.401 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.224 7.669 -2.256 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -13.290 9.804 -1.887 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -13.292 8.405 -1.818 1.00 0.00 C ATOM 0 H TRP A 61 -7.688 11.268 -1.549 1.00 0.00 H new ATOM 0 HA TRP A 61 -7.369 11.244 -4.494 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.832 12.214 -3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.664 11.805 -4.724 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.192 8.890 -4.105 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.679 6.912 -3.350 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.214 11.571 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.228 6.590 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.149 10.354 -1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -14.154 7.897 -1.411 1.00 0.00 H new ATOM 1111 N GLY A 62 -6.224 13.402 -3.093 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.761 14.772 -2.968 1.00 0.00 C ATOM 1113 C GLY A 62 -4.258 14.863 -2.794 1.00 0.00 C ATOM 1114 O GLY A 62 -3.499 14.457 -3.673 1.00 0.00 O ATOM 0 H GLY A 62 -5.536 12.692 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.056 15.334 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.251 15.242 -2.115 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.827 15.399 -1.657 1.00 0.00 N ATOM 1119 CA ASN A 63 -2.404 15.544 -1.371 1.00 0.00 C ATOM 1120 C ASN A 63 -1.615 14.362 -1.927 1.00 0.00 C ATOM 1121 O ASN A 63 -2.146 13.261 -2.073 1.00 0.00 O ATOM 1122 CB ASN A 63 -2.175 15.660 0.137 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.954 16.496 0.473 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -0.567 17.383 -0.287 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -0.342 16.214 1.617 1.00 0.00 N ATOM 0 H ASN A 63 -4.442 15.740 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.052 16.454 -1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.055 16.103 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.058 14.663 0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.485 16.742 1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.699 15.469 2.216 1.00 0.00 H new ATOM 1132 N ARG A 64 -0.344 14.599 -2.236 1.00 0.00 N ATOM 1133 CA ARG A 64 0.519 13.556 -2.776 1.00 0.00 C ATOM 1134 C ARG A 64 1.128 12.720 -1.655 1.00 0.00 C ATOM 1135 O ARG A 64 2.165 12.080 -1.836 1.00 0.00 O ATOM 1136 CB ARG A 64 1.629 14.174 -3.629 1.00 0.00 C ATOM 1137 CG ARG A 64 2.626 14.996 -2.828 1.00 0.00 C ATOM 1138 CD ARG A 64 4.007 14.970 -3.463 1.00 0.00 C ATOM 1139 NE ARG A 64 4.834 16.091 -3.022 1.00 0.00 N ATOM 1140 CZ ARG A 64 6.161 16.074 -3.033 1.00 0.00 C ATOM 1141 NH1 ARG A 64 6.810 15.000 -3.461 1.00 0.00 N ATOM 1142 NH2 ARG A 64 6.843 17.134 -2.615 1.00 0.00 N ATOM 0 H ARG A 64 0.111 15.505 -2.121 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.089 12.903 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.162 13.378 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.179 14.808 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.276 16.026 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.685 14.609 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.504 14.033 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.908 14.998 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 64 4.366 16.933 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.289 14.184 -3.783 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.830 14.990 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.347 17.962 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.863 17.120 -2.624 1.00 0.00 H new ATOM 1156 N LYS A 65 0.479 12.731 -0.496 1.00 0.00 N ATOM 1157 CA LYS A 65 0.955 11.974 0.656 1.00 0.00 C ATOM 1158 C LYS A 65 0.695 10.482 0.472 1.00 0.00 C ATOM 1159 O LYS A 65 1.458 9.646 0.954 1.00 0.00 O ATOM 1160 CB LYS A 65 0.274 12.467 1.934 1.00 0.00 C ATOM 1161 CG LYS A 65 0.635 11.657 3.167 1.00 0.00 C ATOM 1162 CD LYS A 65 1.937 12.135 3.787 1.00 0.00 C ATOM 1163 CE LYS A 65 2.340 11.272 4.973 1.00 0.00 C ATOM 1164 NZ LYS A 65 1.752 11.772 6.247 1.00 0.00 N ATOM 0 H LYS A 65 -0.379 13.256 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 65 2.030 12.130 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.546 13.509 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.807 12.438 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.168 11.732 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.724 10.604 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.727 12.116 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.829 13.171 4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.016 10.245 4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.427 11.254 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.050 11.158 7.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.081 12.743 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.714 11.765 6.177 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.387 10.157 -0.230 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.747 8.766 -0.477 1.00 0.00 C ATOM 1180 C GLU A 66 0.394 8.024 -1.171 1.00 0.00 C ATOM 1181 O GLU A 66 0.495 6.799 -1.085 1.00 0.00 O ATOM 1182 CB GLU A 66 -2.015 8.687 -1.330 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.822 9.182 -2.754 1.00 0.00 C ATOM 1184 CD GLU A 66 -3.083 9.792 -3.334 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -3.474 10.889 -2.885 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -3.679 9.170 -4.240 1.00 0.00 O ATOM 0 H GLU A 66 -1.028 10.838 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.936 8.290 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.361 7.654 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.801 9.274 -0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.023 9.923 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.502 8.352 -3.383 1.00 0.00 H new ATOM 1193 N LEU A 67 1.247 8.774 -1.858 1.00 0.00 N ATOM 1194 CA LEU A 67 2.380 8.190 -2.568 1.00 0.00 C ATOM 1195 C LEU A 67 3.290 7.431 -1.607 1.00 0.00 C ATOM 1196 O LEU A 67 3.643 6.277 -1.852 1.00 0.00 O ATOM 1197 CB LEU A 67 3.174 9.281 -3.287 1.00 0.00 C ATOM 1198 CG LEU A 67 4.361 8.805 -4.126 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.649 9.789 -5.249 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.592 8.616 -3.252 1.00 0.00 C ATOM 0 H LEU A 67 1.176 9.788 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 67 1.993 7.487 -3.305 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.492 9.830 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.541 9.986 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 67 4.104 7.843 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.497 9.434 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.773 9.874 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.884 10.766 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.426 8.277 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.851 9.563 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.382 7.872 -2.484 1.00 0.00 H new ATOM 1212 N ALA A 68 3.666 8.086 -0.514 1.00 0.00 N ATOM 1213 CA ALA A 68 4.532 7.471 0.485 1.00 0.00 C ATOM 1214 C ALA A 68 3.784 6.406 1.280 1.00 0.00 C ATOM 1215 O ALA A 68 4.311 5.324 1.537 1.00 0.00 O ATOM 1216 CB ALA A 68 5.095 8.531 1.419 1.00 0.00 C ATOM 0 H ALA A 68 3.385 9.042 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 68 5.357 6.985 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.740 8.058 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.673 9.253 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.276 9.043 1.925 1.00 0.00 H new ATOM 1222 N THR A 69 2.551 6.720 1.667 1.00 0.00 N ATOM 1223 CA THR A 69 1.731 5.791 2.434 1.00 0.00 C ATOM 1224 C THR A 69 1.466 4.513 1.647 1.00 0.00 C ATOM 1225 O THR A 69 1.468 3.416 2.206 1.00 0.00 O ATOM 1226 CB THR A 69 0.385 6.426 2.829 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.608 7.676 3.492 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.404 5.498 3.741 1.00 0.00 C ATOM 0 H THR A 69 2.099 7.611 1.461 1.00 0.00 H new ATOM 0 HA THR A 69 2.289 5.548 3.338 1.00 0.00 H new ATOM 0 HB THR A 69 -0.192 6.595 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.856 8.357 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.351 5.968 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.598 4.558 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.171 5.302 4.646 1.00 0.00 H new ATOM 1236 N VAL A 70 1.238 4.661 0.346 1.00 0.00 N ATOM 1237 CA VAL A 70 0.972 3.518 -0.519 1.00 0.00 C ATOM 1238 C VAL A 70 2.212 2.643 -0.670 1.00 0.00 C ATOM 1239 O VAL A 70 2.141 1.421 -0.547 1.00 0.00 O ATOM 1240 CB VAL A 70 0.500 3.966 -1.914 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.545 2.803 -2.893 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.899 4.558 -1.838 1.00 0.00 C ATOM 0 H VAL A 70 1.232 5.562 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 70 0.179 2.941 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 70 1.177 4.739 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.208 3.139 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.567 2.431 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.107 2.004 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.217 4.869 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.591 3.808 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.893 5.421 -1.172 1.00 0.00 H new ATOM 1252 N ARG A 71 3.349 3.279 -0.936 1.00 0.00 N ATOM 1253 CA ARG A 71 4.604 2.560 -1.105 1.00 0.00 C ATOM 1254 C ARG A 71 4.910 1.703 0.120 1.00 0.00 C ATOM 1255 O ARG A 71 5.421 0.589 0.002 1.00 0.00 O ATOM 1256 CB ARG A 71 5.751 3.542 -1.352 1.00 0.00 C ATOM 1257 CG ARG A 71 5.956 3.882 -2.819 1.00 0.00 C ATOM 1258 CD ARG A 71 6.874 5.082 -2.990 1.00 0.00 C ATOM 1259 NE ARG A 71 8.272 4.743 -2.736 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.270 5.611 -2.846 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.028 6.865 -3.204 1.00 0.00 N ATOM 1262 NH2 ARG A 71 10.517 5.226 -2.599 1.00 0.00 N ATOM 0 H ARG A 71 3.425 4.291 -1.039 1.00 0.00 H new ATOM 0 HA ARG A 71 4.503 1.904 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.557 4.461 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.673 3.118 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.380 3.022 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.992 4.091 -3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.774 5.473 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.564 5.875 -2.310 1.00 0.00 H new ATOM 0 HE ARG A 71 8.493 3.787 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.072 7.165 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.798 7.529 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.708 4.262 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.283 5.894 -2.684 1.00 0.00 H new ATOM 1276 N THR A 72 4.594 2.231 1.299 1.00 0.00 N ATOM 1277 CA THR A 72 4.835 1.518 2.546 1.00 0.00 C ATOM 1278 C THR A 72 3.877 0.342 2.701 1.00 0.00 C ATOM 1279 O THR A 72 4.271 -0.738 3.143 1.00 0.00 O ATOM 1280 CB THR A 72 4.689 2.449 3.765 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.535 3.594 3.610 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.044 1.718 5.050 1.00 0.00 C ATOM 0 H THR A 72 4.170 3.151 1.415 1.00 0.00 H new ATOM 0 HA THR A 72 5.859 1.146 2.504 1.00 0.00 H new ATOM 0 HB THR A 72 3.650 2.772 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.159 4.189 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.933 2.396 5.897 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.378 0.865 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.075 1.369 4.997 1.00 0.00 H new ATOM 1290 N ILE A 73 2.619 0.559 2.334 1.00 0.00 N ATOM 1291 CA ILE A 73 1.605 -0.485 2.431 1.00 0.00 C ATOM 1292 C ILE A 73 1.891 -1.621 1.456 1.00 0.00 C ATOM 1293 O ILE A 73 1.859 -2.795 1.827 1.00 0.00 O ATOM 1294 CB ILE A 73 0.196 0.072 2.156 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.188 1.099 3.222 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.821 -1.059 2.109 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.380 1.950 2.841 1.00 0.00 C ATOM 0 H ILE A 73 2.277 1.447 1.967 1.00 0.00 H new ATOM 0 HA ILE A 73 1.642 -0.868 3.451 1.00 0.00 H new ATOM 0 HB ILE A 73 0.201 0.570 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.407 0.578 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.666 1.749 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.812 -0.649 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.554 -1.756 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.827 -1.583 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.595 2.655 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.158 2.499 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.247 1.310 2.679 1.00 0.00 H new ATOM 1309 N CYS A 74 2.170 -1.264 0.206 1.00 0.00 N ATOM 1310 CA CYS A 74 2.462 -2.255 -0.824 1.00 0.00 C ATOM 1311 C CYS A 74 3.697 -3.073 -0.456 1.00 0.00 C ATOM 1312 O CYS A 74 3.714 -4.293 -0.616 1.00 0.00 O ATOM 1313 CB CYS A 74 2.674 -1.569 -2.174 1.00 0.00 C ATOM 1314 SG CYS A 74 1.212 -0.712 -2.803 1.00 0.00 S ATOM 0 H CYS A 74 2.200 -0.297 -0.118 1.00 0.00 H new ATOM 0 HA CYS A 74 1.609 -2.930 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.490 -0.853 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 74 2.987 -2.316 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 74 1.356 -0.485 -4.075 1.00 0.00 H new ATOM 1320 N SER A 75 4.727 -2.392 0.034 1.00 0.00 N ATOM 1321 CA SER A 75 5.968 -3.056 0.420 1.00 0.00 C ATOM 1322 C SER A 75 5.742 -3.984 1.608 1.00 0.00 C ATOM 1323 O SER A 75 6.300 -5.080 1.671 1.00 0.00 O ATOM 1324 CB SER A 75 7.039 -2.019 0.763 1.00 0.00 C ATOM 1325 OG SER A 75 8.118 -2.614 1.463 1.00 0.00 O ATOM 0 H SER A 75 4.728 -1.382 0.173 1.00 0.00 H new ATOM 0 HA SER A 75 6.309 -3.655 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.407 -1.555 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.601 -1.226 1.369 1.00 0.00 H new ATOM 0 HG SER A 75 8.790 -1.931 1.670 1.00 0.00 H new ATOM 1331 N HIS A 76 4.918 -3.538 2.551 1.00 0.00 N ATOM 1332 CA HIS A 76 4.616 -4.327 3.740 1.00 0.00 C ATOM 1333 C HIS A 76 3.936 -5.640 3.361 1.00 0.00 C ATOM 1334 O HIS A 76 4.328 -6.711 3.828 1.00 0.00 O ATOM 1335 CB HIS A 76 3.721 -3.533 4.692 1.00 0.00 C ATOM 1336 CG HIS A 76 4.480 -2.608 5.595 1.00 0.00 C ATOM 1337 ND1 HIS A 76 4.208 -1.346 5.999 1.00 0.00 N flip ATOM 1338 CD2 HIS A 76 5.673 -2.953 6.193 1.00 0.00 C flip ATOM 1339 CE1 HIS A 76 5.232 -0.954 6.827 1.00 0.00 C flip ATOM 1340 NE2 HIS A 76 6.102 -1.942 6.927 1.00 0.00 N flip ATOM 0 H HIS A 76 4.447 -2.634 2.515 1.00 0.00 H new ATOM 0 HA HIS A 76 5.556 -4.555 4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.007 -2.953 4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.144 -4.229 5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.178 -3.901 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.312 0.006 7.316 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.960 -1.927 7.478 1.00 0.00 H new ATOM 1348 N VAL A 77 2.917 -5.551 2.513 1.00 0.00 N ATOM 1349 CA VAL A 77 2.184 -6.731 2.072 1.00 0.00 C ATOM 1350 C VAL A 77 3.096 -7.698 1.325 1.00 0.00 C ATOM 1351 O VAL A 77 3.107 -8.896 1.604 1.00 0.00 O ATOM 1352 CB VAL A 77 1.003 -6.349 1.160 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.264 -7.595 0.694 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.060 -5.397 1.881 1.00 0.00 C ATOM 0 H VAL A 77 2.580 -4.673 2.117 1.00 0.00 H new ATOM 0 HA VAL A 77 1.800 -7.218 2.968 1.00 0.00 H new ATOM 0 HB VAL A 77 1.395 -5.838 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.567 -7.306 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.947 -8.237 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.118 -8.136 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.769 -5.137 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.327 -5.879 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.600 -4.492 2.159 1.00 0.00 H new ATOM 1364 N GLN A 78 3.862 -7.167 0.377 1.00 0.00 N ATOM 1365 CA GLN A 78 4.778 -7.983 -0.410 1.00 0.00 C ATOM 1366 C GLN A 78 5.846 -8.613 0.478 1.00 0.00 C ATOM 1367 O GLN A 78 6.192 -9.783 0.316 1.00 0.00 O ATOM 1368 CB GLN A 78 5.439 -7.139 -1.501 1.00 0.00 C ATOM 1369 CG GLN A 78 4.471 -6.671 -2.577 1.00 0.00 C ATOM 1370 CD GLN A 78 3.862 -7.820 -3.355 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.878 -8.483 -2.758 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.270 -8.110 -4.479 1.00 0.00 N flip ATOM 0 H GLN A 78 3.866 -6.176 0.136 1.00 0.00 H new ATOM 0 HA GLN A 78 4.202 -8.782 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.908 -6.269 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.234 -7.721 -1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.674 -6.088 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.993 -6.007 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.029 -7.574 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 78 3.850 -8.887 -4.989 1.00 0.00 H new ATOM 1381 N ASN A 79 6.365 -7.830 1.417 1.00 0.00 N ATOM 1382 CA ASN A 79 7.395 -8.310 2.331 1.00 0.00 C ATOM 1383 C ASN A 79 6.840 -9.388 3.257 1.00 0.00 C ATOM 1384 O ASN A 79 7.527 -10.358 3.577 1.00 0.00 O ATOM 1385 CB ASN A 79 7.955 -7.151 3.158 1.00 0.00 C ATOM 1386 CG ASN A 79 9.270 -7.499 3.827 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.295 -7.654 3.162 1.00 0.00 O ATOM 1388 ND2 ASN A 79 9.246 -7.626 5.149 1.00 0.00 N ATOM 0 H ASN A 79 6.089 -6.859 1.565 1.00 0.00 H new ATOM 0 HA ASN A 79 8.199 -8.744 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.097 -6.284 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.228 -6.867 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.100 -7.861 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.373 -7.488 5.659 1.00 0.00 H new ATOM 1395 N MET A 80 5.594 -9.212 3.682 1.00 0.00 N ATOM 1396 CA MET A 80 4.946 -10.171 4.570 1.00 0.00 C ATOM 1397 C MET A 80 4.833 -11.538 3.902 1.00 0.00 C ATOM 1398 O MET A 80 5.132 -12.563 4.515 1.00 0.00 O ATOM 1399 CB MET A 80 3.557 -9.670 4.969 1.00 0.00 C ATOM 1400 CG MET A 80 3.589 -8.526 5.970 1.00 0.00 C ATOM 1401 SD MET A 80 2.053 -7.583 5.997 1.00 0.00 S ATOM 1402 CE MET A 80 1.156 -8.434 7.293 1.00 0.00 C ATOM 0 H MET A 80 5.012 -8.414 3.426 1.00 0.00 H new ATOM 0 HA MET A 80 5.559 -10.272 5.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.026 -9.345 4.074 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.989 -10.498 5.393 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.783 -8.925 6.966 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.416 -7.859 5.727 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.196 -7.944 7.453 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.990 -9.471 7.000 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.736 -8.406 8.215 1.00 0.00 H new ATOM 1412 N ILE A 81 4.400 -11.545 2.646 1.00 0.00 N ATOM 1413 CA ILE A 81 4.249 -12.786 1.898 1.00 0.00 C ATOM 1414 C ILE A 81 5.588 -13.498 1.737 1.00 0.00 C ATOM 1415 O ILE A 81 5.703 -14.696 1.998 1.00 0.00 O ATOM 1416 CB ILE A 81 3.644 -12.534 0.504 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.276 -11.861 0.632 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.528 -13.839 -0.267 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.821 -11.170 -0.634 1.00 0.00 C ATOM 0 H ILE A 81 4.148 -10.705 2.125 1.00 0.00 H new ATOM 0 HA ILE A 81 3.570 -13.418 2.471 1.00 0.00 H new ATOM 0 HB ILE A 81 4.306 -11.867 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.536 -12.611 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.313 -11.131 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.099 -13.644 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.517 -14.281 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.885 -14.529 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.844 -10.716 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.540 -10.397 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.751 -11.899 -1.441 1.00 0.00 H new ATOM 1431 N LYS A 82 6.600 -12.752 1.307 1.00 0.00 N ATOM 1432 CA LYS A 82 7.933 -13.309 1.113 1.00 0.00 C ATOM 1433 C LYS A 82 8.524 -13.779 2.439 1.00 0.00 C ATOM 1434 O LYS A 82 9.244 -14.776 2.490 1.00 0.00 O ATOM 1435 CB LYS A 82 8.855 -12.269 0.473 1.00 0.00 C ATOM 1436 CG LYS A 82 8.710 -12.174 -1.036 1.00 0.00 C ATOM 1437 CD LYS A 82 9.691 -11.178 -1.629 1.00 0.00 C ATOM 1438 CE LYS A 82 11.013 -11.840 -1.983 1.00 0.00 C ATOM 1439 NZ LYS A 82 12.114 -10.846 -2.119 1.00 0.00 N ATOM 0 H LYS A 82 6.522 -11.759 1.086 1.00 0.00 H new ATOM 0 HA LYS A 82 7.847 -14.168 0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.648 -11.293 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.889 -12.514 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.874 -13.156 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.692 -11.876 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.258 -10.727 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.866 -10.371 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.273 -12.566 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.904 -12.391 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.998 -11.338 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.878 -10.168 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.236 -10.337 -1.220 1.00 0.00 H new ATOM 1453 N GLY A 83 8.213 -13.056 3.510 1.00 0.00 N ATOM 1454 CA GLY A 83 8.720 -13.416 4.821 1.00 0.00 C ATOM 1455 C GLY A 83 8.062 -14.665 5.374 1.00 0.00 C ATOM 1456 O GLY A 83 8.654 -15.380 6.184 1.00 0.00 O ATOM 0 H GLY A 83 7.619 -12.227 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.797 -13.573 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.557 -12.588 5.510 1.00 0.00 H new ATOM 1460 N VAL A 84 6.835 -14.928 4.938 1.00 0.00 N ATOM 1461 CA VAL A 84 6.097 -16.099 5.395 1.00 0.00 C ATOM 1462 C VAL A 84 6.185 -17.236 4.382 1.00 0.00 C ATOM 1463 O VAL A 84 5.752 -18.357 4.649 1.00 0.00 O ATOM 1464 CB VAL A 84 4.614 -15.765 5.647 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.485 -14.627 6.648 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.918 -15.418 4.340 1.00 0.00 C ATOM 0 H VAL A 84 6.331 -14.346 4.269 1.00 0.00 H new ATOM 0 HA VAL A 84 6.556 -16.415 6.332 1.00 0.00 H new ATOM 0 HB VAL A 84 4.128 -16.644 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.431 -14.405 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.947 -14.918 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.985 -13.741 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.871 -15.185 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.404 -14.554 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.979 -16.267 3.659 1.00 0.00 H new ATOM 1476 N THR A 85 6.749 -16.937 3.216 1.00 0.00 N ATOM 1477 CA THR A 85 6.895 -17.933 2.161 1.00 0.00 C ATOM 1478 C THR A 85 8.360 -18.288 1.939 1.00 0.00 C ATOM 1479 O THR A 85 8.677 -19.341 1.383 1.00 0.00 O ATOM 1480 CB THR A 85 6.291 -17.437 0.833 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.895 -16.194 0.456 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.785 -17.259 0.956 1.00 0.00 C ATOM 0 H THR A 85 7.112 -16.014 2.978 1.00 0.00 H new ATOM 0 HA THR A 85 6.355 -18.821 2.488 1.00 0.00 H new ATOM 0 HB THR A 85 6.490 -18.185 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.717 -15.521 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.381 -16.908 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.326 -18.213 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.567 -16.528 1.735 1.00 0.00 H new ATOM 1490 N LEU A 86 9.252 -17.406 2.377 1.00 0.00 N ATOM 1491 CA LEU A 86 10.685 -17.627 2.226 1.00 0.00 C ATOM 1492 C LEU A 86 11.376 -17.669 3.585 1.00 0.00 C ATOM 1493 O LEU A 86 11.504 -16.647 4.259 1.00 0.00 O ATOM 1494 CB LEU A 86 11.303 -16.526 1.361 1.00 0.00 C ATOM 1495 CG LEU A 86 10.626 -16.273 0.013 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.064 -14.935 -0.560 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.937 -17.399 -0.961 1.00 0.00 C ATOM 0 H LEU A 86 9.007 -16.531 2.840 1.00 0.00 H new ATOM 0 HA LEU A 86 10.829 -18.590 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.294 -15.596 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.348 -16.778 1.179 1.00 0.00 H new ATOM 0 HG LEU A 86 9.548 -16.244 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.573 -14.772 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.789 -14.137 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.145 -14.936 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.447 -17.201 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.015 -17.461 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.573 -18.343 -0.555 1.00 0.00 H new