USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 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= -0.195 K(o=-0.19,f=-2.8!) USER MOD Set 1.2: A 74 CYS SG : rot -164:sc= 0.00636 USER MOD Single : A 7 ASN : amide:sc= 0.142 K(o=0.14,f=-0.36) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.051 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 HIS : no HD1:sc= -4.21 K(o=-4.2,f=-7!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 46 SER OG : rot 180:sc= -0.644 USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00245) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0154) USER MOD Single : A 52 LYS NZ :NH3+ -104:sc= -1.73! (180deg=-4.68!) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.543 (180deg=0.539) USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.194) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 72 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -4.13 F(o=-4.8!,f=-4.1) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.143 F(o=-0.75,f=-0.14) USER MOD Single : A 79 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.02) USER MOD Single : A 80 MET CE :methyl -179:sc= -1.93 (180deg=-1.94) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -59:sc= 0.0722 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -5.748 3.734 -8.143 1.00 0.00 N ATOM 169 CA ASN A 7 -5.359 2.805 -7.087 1.00 0.00 C ATOM 170 C ASN A 7 -4.503 1.674 -7.645 1.00 0.00 C ATOM 171 O ASN A 7 -4.516 1.407 -8.847 1.00 0.00 O ATOM 172 CB ASN A 7 -6.600 2.231 -6.402 1.00 0.00 C ATOM 173 CG ASN A 7 -7.699 1.886 -7.391 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.534 1.007 -8.237 1.00 0.00 O ATOM 175 ND2 ASN A 7 -8.826 2.581 -7.288 1.00 0.00 N ATOM 0 HA ASN A 7 -4.769 3.354 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.323 1.336 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.979 2.953 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.600 2.395 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.918 3.301 -6.571 1.00 0.00 H new ATOM 182 N GLN A 8 -3.758 1.012 -6.764 1.00 0.00 N ATOM 183 CA GLN A 8 -2.897 -0.092 -7.170 1.00 0.00 C ATOM 184 C GLN A 8 -3.498 -1.432 -6.761 1.00 0.00 C ATOM 185 O GLN A 8 -4.334 -1.501 -5.860 1.00 0.00 O ATOM 186 CB GLN A 8 -1.506 0.066 -6.551 1.00 0.00 C ATOM 187 CG GLN A 8 -0.594 0.997 -7.334 1.00 0.00 C ATOM 188 CD GLN A 8 0.871 0.635 -7.191 1.00 0.00 C ATOM 189 OE1 GLN A 8 1.212 -0.427 -6.668 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.748 1.517 -7.658 1.00 0.00 N ATOM 0 H GLN A 8 -3.734 1.221 -5.766 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.810 -0.071 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.611 0.444 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.036 -0.915 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.870 0.968 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.746 2.021 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.421 2.384 -8.084 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.748 1.327 -7.591 1.00 0.00 H new ATOM 199 N THR A 9 -3.068 -2.497 -7.431 1.00 0.00 N ATOM 200 CA THR A 9 -3.565 -3.835 -7.140 1.00 0.00 C ATOM 201 C THR A 9 -2.421 -4.789 -6.820 1.00 0.00 C ATOM 202 O THR A 9 -1.334 -4.685 -7.389 1.00 0.00 O ATOM 203 CB THR A 9 -4.378 -4.403 -8.319 1.00 0.00 C ATOM 204 OG1 THR A 9 -3.787 -3.999 -9.559 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.822 -3.926 -8.260 1.00 0.00 C ATOM 0 H THR A 9 -2.376 -2.458 -8.179 1.00 0.00 H new ATOM 0 HA THR A 9 -4.215 -3.747 -6.270 1.00 0.00 H new ATOM 0 HB THR A 9 -4.369 -5.491 -8.249 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.308 -4.365 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.377 -4.340 -9.102 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.277 -4.259 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.848 -2.837 -8.308 1.00 0.00 H new ATOM 213 N VAL A 10 -2.671 -5.722 -5.906 1.00 0.00 N ATOM 214 CA VAL A 10 -1.661 -6.697 -5.512 1.00 0.00 C ATOM 215 C VAL A 10 -2.102 -8.115 -5.858 1.00 0.00 C ATOM 216 O VAL A 10 -3.292 -8.429 -5.837 1.00 0.00 O ATOM 217 CB VAL A 10 -1.363 -6.618 -4.002 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.209 -7.539 -3.638 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.061 -5.184 -3.595 1.00 0.00 C ATOM 0 H VAL A 10 -3.565 -5.823 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.754 -6.456 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.246 -6.949 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.012 -7.470 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.469 -8.566 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.682 -7.241 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.853 -5.145 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.193 -4.824 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.921 -4.553 -3.820 1.00 0.00 H new ATOM 229 N ASP A 11 -1.135 -8.968 -6.175 1.00 0.00 N ATOM 230 CA ASP A 11 -1.422 -10.354 -6.526 1.00 0.00 C ATOM 231 C ASP A 11 -0.938 -11.302 -5.431 1.00 0.00 C ATOM 232 O ASP A 11 0.173 -11.161 -4.921 1.00 0.00 O ATOM 233 CB ASP A 11 -0.761 -10.714 -7.857 1.00 0.00 C ATOM 234 CG ASP A 11 -0.825 -12.201 -8.152 1.00 0.00 C ATOM 235 OD1 ASP A 11 -0.148 -12.975 -7.444 1.00 0.00 O ATOM 236 OD2 ASP A 11 -1.552 -12.588 -9.090 1.00 0.00 O ATOM 0 H ASP A 11 -0.145 -8.724 -6.196 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.502 -10.462 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.250 -10.165 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.281 -10.394 -7.840 1.00 0.00 H new ATOM 241 N ILE A 12 -1.781 -12.265 -5.076 1.00 0.00 N ATOM 242 CA ILE A 12 -1.441 -13.235 -4.043 1.00 0.00 C ATOM 243 C ILE A 12 -1.393 -14.650 -4.611 1.00 0.00 C ATOM 244 O ILE A 12 -2.236 -15.051 -5.415 1.00 0.00 O ATOM 245 CB ILE A 12 -2.447 -13.196 -2.878 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.454 -11.810 -2.229 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.113 -14.267 -1.851 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.680 -11.547 -1.382 1.00 0.00 C ATOM 0 H ILE A 12 -2.705 -12.394 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.454 -12.962 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.443 -13.398 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.564 -11.703 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.392 -11.052 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.834 -14.225 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.155 -15.249 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.110 -14.095 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.618 -10.547 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.573 -11.621 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.733 -12.283 -0.580 1.00 0.00 H new ATOM 260 N PRO A 13 -0.386 -15.427 -4.184 1.00 0.00 N ATOM 261 CA PRO A 13 -0.206 -16.809 -4.635 1.00 0.00 C ATOM 262 C PRO A 13 -1.284 -17.741 -4.092 1.00 0.00 C ATOM 263 O PRO A 13 -2.285 -17.289 -3.537 1.00 0.00 O ATOM 264 CB PRO A 13 1.164 -17.191 -4.069 1.00 0.00 C ATOM 265 CG PRO A 13 1.346 -16.304 -2.886 1.00 0.00 C ATOM 266 CD PRO A 13 0.653 -15.013 -3.226 1.00 0.00 C ATOM 0 HA PRO A 13 -0.274 -16.896 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.195 -18.243 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.953 -17.037 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.916 -16.754 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.404 -16.137 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.221 -14.544 -2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.341 -14.291 -3.666 1.00 0.00 H new ATOM 274 N GLU A 14 -1.073 -19.043 -4.258 1.00 0.00 N ATOM 275 CA GLU A 14 -2.029 -20.038 -3.785 1.00 0.00 C ATOM 276 C GLU A 14 -1.526 -20.713 -2.511 1.00 0.00 C ATOM 277 O GLU A 14 -2.314 -21.190 -1.697 1.00 0.00 O ATOM 278 CB GLU A 14 -2.282 -21.089 -4.867 1.00 0.00 C ATOM 279 CG GLU A 14 -1.103 -22.019 -5.101 1.00 0.00 C ATOM 280 CD GLU A 14 0.053 -21.329 -5.798 1.00 0.00 C ATOM 281 OE1 GLU A 14 -0.144 -20.835 -6.927 1.00 0.00 O ATOM 282 OE2 GLU A 14 1.157 -21.284 -5.214 1.00 0.00 O ATOM 0 H GLU A 14 -0.249 -19.433 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.965 -19.527 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.152 -21.683 -4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.527 -20.584 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.762 -22.415 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.429 -22.869 -5.700 1.00 0.00 H new ATOM 289 N ASN A 15 -0.207 -20.750 -2.350 1.00 0.00 N ATOM 290 CA ASN A 15 0.402 -21.368 -1.178 1.00 0.00 C ATOM 291 C ASN A 15 0.308 -20.446 0.034 1.00 0.00 C ATOM 292 O ASN A 15 0.778 -20.780 1.121 1.00 0.00 O ATOM 293 CB ASN A 15 1.867 -21.710 -1.459 1.00 0.00 C ATOM 294 CG ASN A 15 2.741 -20.475 -1.556 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.699 -19.747 -2.548 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.539 -20.233 -0.523 1.00 0.00 N ATOM 0 H ASN A 15 0.460 -20.360 -3.016 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.143 -22.286 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.244 -22.357 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.934 -22.273 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.150 -19.416 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.541 -20.864 0.279 1.00 0.00 H new ATOM 303 N VAL A 16 -0.306 -19.282 -0.161 1.00 0.00 N ATOM 304 CA VAL A 16 -0.464 -18.312 0.917 1.00 0.00 C ATOM 305 C VAL A 16 -1.927 -17.919 1.090 1.00 0.00 C ATOM 306 O VAL A 16 -2.678 -17.835 0.118 1.00 0.00 O ATOM 307 CB VAL A 16 0.370 -17.043 0.655 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.307 -16.108 1.853 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.810 -17.410 0.330 1.00 0.00 C ATOM 0 H VAL A 16 -0.701 -18.989 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.108 -18.790 1.830 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.051 -16.523 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.901 -15.217 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.728 -15.820 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.703 -16.616 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.385 -16.502 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.245 -17.953 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.833 -18.039 -0.560 1.00 0.00 H new ATOM 319 N ASP A 17 -2.324 -17.678 2.335 1.00 0.00 N ATOM 320 CA ASP A 17 -3.697 -17.292 2.637 1.00 0.00 C ATOM 321 C ASP A 17 -3.734 -15.975 3.407 1.00 0.00 C ATOM 322 O ASP A 17 -3.103 -15.840 4.456 1.00 0.00 O ATOM 323 CB ASP A 17 -4.393 -18.389 3.445 1.00 0.00 C ATOM 324 CG ASP A 17 -4.986 -19.469 2.563 1.00 0.00 C ATOM 325 OD1 ASP A 17 -5.323 -19.167 1.399 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.113 -20.619 3.036 1.00 0.00 O ATOM 0 H ASP A 17 -1.715 -17.743 3.150 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.226 -17.156 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.678 -18.838 4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.183 -17.945 4.051 1.00 0.00 H new ATOM 331 N ILE A 18 -4.477 -15.007 2.880 1.00 0.00 N ATOM 332 CA ILE A 18 -4.595 -13.703 3.518 1.00 0.00 C ATOM 333 C ILE A 18 -6.043 -13.403 3.891 1.00 0.00 C ATOM 334 O ILE A 18 -6.955 -13.580 3.083 1.00 0.00 O ATOM 335 CB ILE A 18 -4.070 -12.580 2.604 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.596 -12.815 2.267 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.258 -11.224 3.270 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.365 -14.010 1.369 1.00 0.00 C ATOM 0 H ILE A 18 -5.006 -15.102 2.013 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.988 -13.738 4.423 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.641 -12.589 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.196 -11.924 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.037 -12.953 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.882 -10.440 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.318 -11.058 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.709 -11.202 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.298 -14.116 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.735 -14.911 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.895 -13.866 0.428 1.00 0.00 H new ATOM 350 N THR A 19 -6.248 -12.945 5.123 1.00 0.00 N ATOM 351 CA THR A 19 -7.584 -12.620 5.605 1.00 0.00 C ATOM 352 C THR A 19 -7.772 -11.112 5.731 1.00 0.00 C ATOM 353 O THR A 19 -6.973 -10.428 6.372 1.00 0.00 O ATOM 354 CB THR A 19 -7.865 -13.277 6.970 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.514 -14.664 6.927 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.330 -13.130 7.349 1.00 0.00 C ATOM 0 H THR A 19 -5.505 -12.791 5.805 1.00 0.00 H new ATOM 0 HA THR A 19 -8.288 -13.011 4.870 1.00 0.00 H new ATOM 0 HB THR A 19 -7.259 -12.773 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.694 -15.074 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.505 -13.601 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.586 -12.072 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.951 -13.611 6.594 1.00 0.00 H new ATOM 364 N LEU A 20 -8.832 -10.599 5.115 1.00 0.00 N ATOM 365 CA LEU A 20 -9.124 -9.170 5.159 1.00 0.00 C ATOM 366 C LEU A 20 -10.248 -8.876 6.148 1.00 0.00 C ATOM 367 O LEU A 20 -11.360 -9.384 6.011 1.00 0.00 O ATOM 368 CB LEU A 20 -9.509 -8.667 3.768 1.00 0.00 C ATOM 369 CG LEU A 20 -8.474 -8.889 2.664 1.00 0.00 C ATOM 370 CD1 LEU A 20 -9.070 -8.568 1.302 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.233 -8.046 2.917 1.00 0.00 C ATOM 0 H LEU A 20 -9.503 -11.151 4.580 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.226 -8.649 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.438 -9.155 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.717 -7.599 3.834 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.182 -9.939 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.319 -8.732 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.927 -9.215 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.391 -7.527 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.508 -8.217 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.507 -6.991 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.793 -8.324 3.875 1.00 0.00 H new ATOM 383 N LYS A 21 -9.950 -8.048 7.144 1.00 0.00 N ATOM 384 CA LYS A 21 -10.935 -7.681 8.155 1.00 0.00 C ATOM 385 C LYS A 21 -10.981 -6.169 8.346 1.00 0.00 C ATOM 386 O LYS A 21 -10.119 -5.590 9.005 1.00 0.00 O ATOM 387 CB LYS A 21 -10.609 -8.363 9.485 1.00 0.00 C ATOM 388 CG LYS A 21 -11.162 -9.774 9.596 1.00 0.00 C ATOM 389 CD LYS A 21 -10.409 -10.588 10.634 1.00 0.00 C ATOM 390 CE LYS A 21 -11.002 -10.405 12.024 1.00 0.00 C ATOM 391 NZ LYS A 21 -10.012 -10.710 13.093 1.00 0.00 N ATOM 0 H LYS A 21 -9.034 -7.618 7.273 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.914 -8.016 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.527 -8.395 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.008 -7.760 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.218 -9.732 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.097 -10.269 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.437 -11.643 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.361 -10.289 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.354 -9.380 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.870 -11.054 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.454 -10.574 14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.695 -11.696 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.195 -10.074 13.001 1.00 0.00 H new ATOM 405 N GLY A 22 -11.994 -5.533 7.763 1.00 0.00 N ATOM 406 CA GLY A 22 -12.133 -4.094 7.883 1.00 0.00 C ATOM 407 C GLY A 22 -10.939 -3.347 7.323 1.00 0.00 C ATOM 408 O GLY A 22 -10.819 -3.174 6.110 1.00 0.00 O ATOM 0 H GLY A 22 -12.720 -5.989 7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.035 -3.775 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.262 -3.831 8.933 1.00 0.00 H new ATOM 412 N ARG A 23 -10.054 -2.902 8.208 1.00 0.00 N ATOM 413 CA ARG A 23 -8.864 -2.166 7.797 1.00 0.00 C ATOM 414 C ARG A 23 -7.597 -2.893 8.237 1.00 0.00 C ATOM 415 O ARG A 23 -6.523 -2.296 8.322 1.00 0.00 O ATOM 416 CB ARG A 23 -8.884 -0.754 8.381 1.00 0.00 C ATOM 417 CG ARG A 23 -10.127 0.040 8.014 1.00 0.00 C ATOM 418 CD ARG A 23 -9.837 1.532 7.945 1.00 0.00 C ATOM 419 NE ARG A 23 -11.013 2.334 8.271 1.00 0.00 N ATOM 420 CZ ARG A 23 -11.001 3.661 8.342 1.00 0.00 C ATOM 421 NH1 ARG A 23 -9.880 4.330 8.109 1.00 0.00 N ATOM 422 NH2 ARG A 23 -12.111 4.320 8.644 1.00 0.00 N ATOM 0 H ARG A 23 -10.138 -3.038 9.215 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.866 -2.101 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.812 -0.818 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.003 -0.214 8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.507 -0.302 7.052 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.909 -0.146 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.029 1.776 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.490 1.788 6.944 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.892 1.849 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.025 3.826 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.873 5.348 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.975 3.809 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.101 5.339 8.698 1.00 0.00 H new ATOM 436 N THR A 24 -7.729 -4.186 8.517 1.00 0.00 N ATOM 437 CA THR A 24 -6.595 -4.993 8.950 1.00 0.00 C ATOM 438 C THR A 24 -6.280 -6.087 7.936 1.00 0.00 C ATOM 439 O THR A 24 -7.163 -6.840 7.525 1.00 0.00 O ATOM 440 CB THR A 24 -6.859 -5.642 10.323 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.125 -4.629 11.300 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.668 -6.478 10.764 1.00 0.00 C ATOM 0 H THR A 24 -8.610 -4.696 8.452 1.00 0.00 H new ATOM 0 HA THR A 24 -5.741 -4.320 9.032 1.00 0.00 H new ATOM 0 HB THR A 24 -7.727 -6.295 10.231 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.293 -5.049 12.169 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.878 -6.926 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.486 -7.266 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.786 -5.843 10.840 1.00 0.00 H new ATOM 450 N VAL A 25 -5.015 -6.170 7.536 1.00 0.00 N ATOM 451 CA VAL A 25 -4.582 -7.175 6.572 1.00 0.00 C ATOM 452 C VAL A 25 -3.808 -8.295 7.255 1.00 0.00 C ATOM 453 O VAL A 25 -2.733 -8.070 7.813 1.00 0.00 O ATOM 454 CB VAL A 25 -3.701 -6.553 5.472 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.219 -7.624 4.505 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.462 -5.461 4.735 1.00 0.00 C ATOM 0 H VAL A 25 -4.272 -5.553 7.865 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.483 -7.586 6.117 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.827 -6.102 5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.598 -7.166 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.635 -8.368 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.078 -8.107 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.825 -5.032 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.355 -5.886 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.752 -4.681 5.439 1.00 0.00 H new ATOM 466 N ILE A 26 -4.360 -9.503 7.206 1.00 0.00 N ATOM 467 CA ILE A 26 -3.718 -10.660 7.820 1.00 0.00 C ATOM 468 C ILE A 26 -3.125 -11.585 6.762 1.00 0.00 C ATOM 469 O ILE A 26 -3.816 -12.006 5.833 1.00 0.00 O ATOM 470 CB ILE A 26 -4.710 -11.459 8.686 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.419 -10.531 9.675 1.00 0.00 C ATOM 472 CG2 ILE A 26 -3.987 -12.576 9.424 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.676 -11.128 10.269 1.00 0.00 C ATOM 0 H ILE A 26 -5.249 -9.706 6.748 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.918 -10.278 8.455 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.461 -11.907 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.730 -10.278 10.481 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.673 -9.600 9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.701 -13.132 10.032 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.524 -13.249 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.218 -12.149 10.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.126 -10.415 10.960 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.383 -11.355 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.426 -12.044 10.804 1.00 0.00 H new ATOM 485 N VAL A 27 -1.843 -11.899 6.909 1.00 0.00 N ATOM 486 CA VAL A 27 -1.157 -12.776 5.969 1.00 0.00 C ATOM 487 C VAL A 27 -0.716 -14.070 6.645 1.00 0.00 C ATOM 488 O VAL A 27 -0.142 -14.051 7.733 1.00 0.00 O ATOM 489 CB VAL A 27 0.075 -12.087 5.354 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.794 -13.029 4.399 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.332 -10.804 4.645 1.00 0.00 C ATOM 0 H VAL A 27 -1.257 -11.558 7.672 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.869 -13.007 5.176 1.00 0.00 H new ATOM 0 HB VAL A 27 0.764 -11.829 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.662 -12.524 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.120 -13.917 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.116 -13.321 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.551 -10.330 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.041 -11.037 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.797 -10.125 5.360 1.00 0.00 H new ATOM 501 N LYS A 28 -0.990 -15.195 5.993 1.00 0.00 N ATOM 502 CA LYS A 28 -0.621 -16.500 6.528 1.00 0.00 C ATOM 503 C LYS A 28 0.210 -17.287 5.520 1.00 0.00 C ATOM 504 O LYS A 28 -0.228 -17.534 4.398 1.00 0.00 O ATOM 505 CB LYS A 28 -1.875 -17.293 6.902 1.00 0.00 C ATOM 506 CG LYS A 28 -1.651 -18.293 8.024 1.00 0.00 C ATOM 507 CD LYS A 28 -2.957 -18.918 8.484 1.00 0.00 C ATOM 508 CE LYS A 28 -2.807 -19.593 9.838 1.00 0.00 C ATOM 509 NZ LYS A 28 -1.994 -20.838 9.749 1.00 0.00 N ATOM 0 H LYS A 28 -1.467 -15.229 5.092 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.019 -16.341 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.660 -16.597 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.236 -17.823 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.972 -19.075 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.169 -17.795 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.728 -18.150 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.291 -19.649 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.338 -18.902 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.793 -19.831 10.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.915 -21.269 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.454 -21.508 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.045 -20.608 9.393 1.00 0.00 H new ATOM 523 N GLY A 29 1.413 -17.680 5.929 1.00 0.00 N ATOM 524 CA GLY A 29 2.285 -18.436 5.050 1.00 0.00 C ATOM 525 C GLY A 29 2.850 -19.673 5.718 1.00 0.00 C ATOM 526 O GLY A 29 2.812 -19.817 6.940 1.00 0.00 O ATOM 0 H GLY A 29 1.799 -17.488 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.731 -18.729 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.105 -17.798 4.720 1.00 0.00 H new ATOM 530 N PRO A 30 3.387 -20.596 4.906 1.00 0.00 N ATOM 531 CA PRO A 30 3.971 -21.845 5.404 1.00 0.00 C ATOM 532 C PRO A 30 5.273 -21.614 6.162 1.00 0.00 C ATOM 533 O PRO A 30 5.916 -22.562 6.612 1.00 0.00 O ATOM 534 CB PRO A 30 4.231 -22.649 4.127 1.00 0.00 C ATOM 535 CG PRO A 30 4.379 -21.622 3.057 1.00 0.00 C ATOM 536 CD PRO A 30 3.465 -20.491 3.439 1.00 0.00 C ATOM 0 HA PRO A 30 3.314 -22.347 6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.130 -23.258 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.406 -23.329 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.412 -21.281 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.108 -22.031 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.866 -19.527 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.484 -20.594 2.976 1.00 0.00 H new ATOM 544 N ARG A 31 5.655 -20.348 6.302 1.00 0.00 N ATOM 545 CA ARG A 31 6.881 -19.993 7.006 1.00 0.00 C ATOM 546 C ARG A 31 6.578 -19.116 8.217 1.00 0.00 C ATOM 547 O ARG A 31 7.459 -18.832 9.027 1.00 0.00 O ATOM 548 CB ARG A 31 7.843 -19.267 6.065 1.00 0.00 C ATOM 549 CG ARG A 31 8.034 -19.968 4.729 1.00 0.00 C ATOM 550 CD ARG A 31 9.163 -20.985 4.790 1.00 0.00 C ATOM 551 NE ARG A 31 9.057 -21.985 3.732 1.00 0.00 N ATOM 552 CZ ARG A 31 9.870 -23.030 3.624 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.843 -23.211 4.506 1.00 0.00 N ATOM 554 NH2 ARG A 31 9.709 -23.898 2.633 1.00 0.00 N ATOM 0 H ARG A 31 5.133 -19.552 5.937 1.00 0.00 H new ATOM 0 HA ARG A 31 7.350 -20.914 7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.471 -18.258 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.811 -19.167 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.108 -20.467 4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.249 -19.229 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.120 -20.470 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.152 -21.481 5.760 1.00 0.00 H new ATOM 0 HE ARG A 31 8.318 -21.875 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.969 -22.547 5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.466 -24.014 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.960 -23.763 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.334 -24.700 2.551 1.00 0.00 H new ATOM 568 N GLY A 32 5.324 -18.689 8.333 1.00 0.00 N ATOM 569 CA GLY A 32 4.927 -17.847 9.446 1.00 0.00 C ATOM 570 C GLY A 32 3.691 -17.025 9.141 1.00 0.00 C ATOM 571 O GLY A 32 3.252 -16.953 7.992 1.00 0.00 O ATOM 0 H GLY A 32 4.576 -18.911 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.738 -18.471 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.749 -17.179 9.703 1.00 0.00 H new ATOM 575 N THR A 33 3.124 -16.404 10.170 1.00 0.00 N ATOM 576 CA THR A 33 1.930 -15.586 10.007 1.00 0.00 C ATOM 577 C THR A 33 2.200 -14.135 10.392 1.00 0.00 C ATOM 578 O THR A 33 2.608 -13.846 11.518 1.00 0.00 O ATOM 579 CB THR A 33 0.762 -16.121 10.856 1.00 0.00 C ATOM 580 OG1 THR A 33 0.587 -17.522 10.621 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.528 -15.382 10.529 1.00 0.00 C ATOM 0 H THR A 33 3.474 -16.452 11.127 1.00 0.00 H new ATOM 0 HA THR A 33 1.656 -15.635 8.953 1.00 0.00 H new ATOM 0 HB THR A 33 1.001 -15.956 11.907 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.156 -17.855 11.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.339 -15.777 11.141 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.401 -14.319 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.769 -15.519 9.475 1.00 0.00 H new ATOM 589 N LEU A 34 1.971 -13.226 9.451 1.00 0.00 N ATOM 590 CA LEU A 34 2.189 -11.803 9.692 1.00 0.00 C ATOM 591 C LEU A 34 0.943 -10.995 9.346 1.00 0.00 C ATOM 592 O LEU A 34 0.305 -11.228 8.319 1.00 0.00 O ATOM 593 CB LEU A 34 3.379 -11.304 8.872 1.00 0.00 C ATOM 594 CG LEU A 34 4.647 -12.156 8.941 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.657 -11.696 7.901 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.252 -12.098 10.336 1.00 0.00 C ATOM 0 H LEU A 34 1.635 -13.448 8.514 1.00 0.00 H new ATOM 0 HA LEU A 34 2.404 -11.668 10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.071 -11.231 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.625 -10.295 9.203 1.00 0.00 H new ATOM 0 HG LEU A 34 4.379 -13.190 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.553 -12.314 7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.223 -11.789 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.921 -10.655 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.154 -12.710 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.505 -11.066 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.531 -12.476 11.061 1.00 0.00 H new ATOM 608 N ARG A 35 0.603 -10.043 10.209 1.00 0.00 N ATOM 609 CA ARG A 35 -0.566 -9.199 9.993 1.00 0.00 C ATOM 610 C ARG A 35 -0.220 -7.727 10.199 1.00 0.00 C ATOM 611 O ARG A 35 0.751 -7.397 10.880 1.00 0.00 O ATOM 612 CB ARG A 35 -1.697 -9.606 10.941 1.00 0.00 C ATOM 613 CG ARG A 35 -1.370 -9.383 12.409 1.00 0.00 C ATOM 614 CD ARG A 35 -2.152 -10.333 13.303 1.00 0.00 C ATOM 615 NE ARG A 35 -1.690 -11.712 13.175 1.00 0.00 N ATOM 616 CZ ARG A 35 -2.209 -12.727 13.854 1.00 0.00 C ATOM 617 NH1 ARG A 35 -3.204 -12.520 14.706 1.00 0.00 N ATOM 618 NH2 ARG A 35 -1.735 -13.955 13.683 1.00 0.00 N ATOM 0 H ARG A 35 1.120 -9.837 11.064 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.897 -9.336 8.963 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.594 -9.041 10.687 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.929 -10.659 10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.302 -9.525 12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.599 -8.353 12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.057 -10.014 14.341 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.211 -10.281 13.049 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.926 -11.906 12.528 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.572 -11.578 14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.601 -13.302 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.970 -14.120 13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.136 -14.734 14.206 1.00 0.00 H new ATOM 632 N ARG A 36 -1.020 -6.848 9.605 1.00 0.00 N ATOM 633 CA ARG A 36 -0.798 -5.412 9.723 1.00 0.00 C ATOM 634 C ARG A 36 -2.122 -4.666 9.858 1.00 0.00 C ATOM 635 O ARG A 36 -3.115 -5.021 9.223 1.00 0.00 O ATOM 636 CB ARG A 36 -0.030 -4.893 8.506 1.00 0.00 C ATOM 637 CG ARG A 36 0.619 -3.537 8.728 1.00 0.00 C ATOM 638 CD ARG A 36 1.940 -3.667 9.470 1.00 0.00 C ATOM 639 NE ARG A 36 1.755 -3.688 10.918 1.00 0.00 N ATOM 640 CZ ARG A 36 1.292 -2.657 11.616 1.00 0.00 C ATOM 641 NH1 ARG A 36 0.969 -1.528 11.000 1.00 0.00 N ATOM 642 NH2 ARG A 36 1.150 -2.755 12.931 1.00 0.00 N ATOM 0 H ARG A 36 -1.828 -7.105 9.037 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.207 -5.233 10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.741 -5.616 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.712 -4.825 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.786 -3.051 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.057 -2.897 9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.444 -4.581 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.591 -2.835 9.200 1.00 0.00 H new ATOM 0 HE ARG A 36 1.995 -4.542 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.076 -1.450 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.614 -0.737 11.538 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.396 -3.623 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.794 -1.963 13.466 1.00 0.00 H new ATOM 656 N ASP A 37 -2.129 -3.630 10.690 1.00 0.00 N ATOM 657 CA ASP A 37 -3.330 -2.832 10.909 1.00 0.00 C ATOM 658 C ASP A 37 -3.140 -1.410 10.390 1.00 0.00 C ATOM 659 O ASP A 37 -2.196 -0.719 10.773 1.00 0.00 O ATOM 660 CB ASP A 37 -3.684 -2.803 12.396 1.00 0.00 C ATOM 661 CG ASP A 37 -4.583 -1.637 12.755 1.00 0.00 C ATOM 662 OD1 ASP A 37 -4.102 -0.485 12.726 1.00 0.00 O ATOM 663 OD2 ASP A 37 -5.770 -1.876 13.064 1.00 0.00 O ATOM 0 H ASP A 37 -1.316 -3.323 11.224 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.149 -3.294 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.178 -3.736 12.667 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.768 -2.746 12.983 1.00 0.00 H new ATOM 668 N PHE A 38 -4.043 -0.979 9.516 1.00 0.00 N ATOM 669 CA PHE A 38 -3.974 0.360 8.943 1.00 0.00 C ATOM 670 C PHE A 38 -5.205 1.178 9.321 1.00 0.00 C ATOM 671 O PHE A 38 -5.748 1.917 8.502 1.00 0.00 O ATOM 672 CB PHE A 38 -3.849 0.280 7.420 1.00 0.00 C ATOM 673 CG PHE A 38 -2.713 -0.587 6.956 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.436 -0.065 6.822 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.922 -1.923 6.654 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.390 -0.861 6.394 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.880 -2.724 6.227 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.611 -2.191 6.098 1.00 0.00 C ATOM 0 H PHE A 38 -4.831 -1.538 9.189 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.092 0.856 9.348 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.781 -0.105 7.007 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.714 1.285 7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.256 0.974 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.912 -2.344 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.600 -0.442 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.057 -3.764 5.995 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.206 -2.814 5.766 1.00 0.00 H new ATOM 688 N ASN A 39 -5.641 1.037 10.568 1.00 0.00 N ATOM 689 CA ASN A 39 -6.810 1.761 11.056 1.00 0.00 C ATOM 690 C ASN A 39 -6.472 3.224 11.321 1.00 0.00 C ATOM 691 O ASN A 39 -7.040 4.126 10.704 1.00 0.00 O ATOM 692 CB ASN A 39 -7.342 1.109 12.335 1.00 0.00 C ATOM 693 CG ASN A 39 -8.539 1.846 12.903 1.00 0.00 C ATOM 694 OD1 ASN A 39 -9.442 2.247 12.169 1.00 0.00 O ATOM 695 ND2 ASN A 39 -8.551 2.028 14.219 1.00 0.00 N ATOM 0 H ASN A 39 -5.203 0.428 11.259 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.581 1.718 10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.620 0.076 12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.549 1.079 13.082 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.330 2.517 14.659 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.781 1.679 14.789 1.00 0.00 H new ATOM 702 N HIS A 40 -5.541 3.453 12.243 1.00 0.00 N ATOM 703 CA HIS A 40 -5.125 4.808 12.590 1.00 0.00 C ATOM 704 C HIS A 40 -5.104 5.702 11.354 1.00 0.00 C ATOM 705 O HIS A 40 -5.363 6.903 11.440 1.00 0.00 O ATOM 706 CB HIS A 40 -3.743 4.788 13.243 1.00 0.00 C ATOM 707 CG HIS A 40 -2.681 4.181 12.379 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.876 3.032 11.643 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.407 4.570 12.136 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.768 2.740 10.985 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.862 3.659 11.267 1.00 0.00 N ATOM 0 H HIS A 40 -5.061 2.718 12.763 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.847 5.214 13.298 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.455 5.808 13.496 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -3.800 4.232 14.179 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.912 5.436 12.549 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.627 1.894 10.328 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.089 3.687 10.898 1.00 0.00 H new ATOM 719 N ILE A 41 -4.793 5.110 10.206 1.00 0.00 N ATOM 720 CA ILE A 41 -4.738 5.853 8.954 1.00 0.00 C ATOM 721 C ILE A 41 -6.024 5.678 8.153 1.00 0.00 C ATOM 722 O ILE A 41 -6.541 4.569 8.026 1.00 0.00 O ATOM 723 CB ILE A 41 -3.544 5.411 8.087 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.266 5.363 8.929 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.370 6.351 6.904 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.159 4.546 8.299 1.00 0.00 C ATOM 0 H ILE A 41 -4.575 4.117 10.117 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.616 6.904 9.218 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.743 4.410 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.909 6.380 9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.501 4.947 9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.522 6.025 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.274 6.340 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.189 7.363 7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.284 4.556 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.498 3.519 8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.896 4.974 7.332 1.00 0.00 H new ATOM 738 N ASN A 42 -6.534 6.780 7.613 1.00 0.00 N ATOM 739 CA ASN A 42 -7.760 6.747 6.823 1.00 0.00 C ATOM 740 C ASN A 42 -7.449 6.528 5.346 1.00 0.00 C ATOM 741 O ASN A 42 -7.417 7.475 4.560 1.00 0.00 O ATOM 742 CB ASN A 42 -8.542 8.050 7.005 1.00 0.00 C ATOM 743 CG ASN A 42 -8.750 8.401 8.465 1.00 0.00 C ATOM 744 OD1 ASN A 42 -7.925 9.083 9.074 1.00 0.00 O ATOM 745 ND2 ASN A 42 -9.857 7.937 9.034 1.00 0.00 N ATOM 0 H ASN A 42 -6.118 7.706 7.708 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.368 5.914 7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.009 8.862 6.511 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.511 7.960 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.051 8.142 10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.513 7.376 8.491 1.00 0.00 H new ATOM 752 N VAL A 43 -7.221 5.273 4.975 1.00 0.00 N ATOM 753 CA VAL A 43 -6.914 4.928 3.591 1.00 0.00 C ATOM 754 C VAL A 43 -8.084 4.205 2.933 1.00 0.00 C ATOM 755 O VAL A 43 -9.117 3.976 3.561 1.00 0.00 O ATOM 756 CB VAL A 43 -5.659 4.041 3.498 1.00 0.00 C ATOM 757 CG1 VAL A 43 -4.441 4.783 4.029 1.00 0.00 C ATOM 758 CG2 VAL A 43 -5.870 2.738 4.254 1.00 0.00 C ATOM 0 H VAL A 43 -7.243 4.477 5.613 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.727 5.864 3.066 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.481 3.801 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.563 4.141 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.280 5.686 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.606 5.054 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.973 2.124 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.073 2.955 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.715 2.201 3.824 1.00 0.00 H new ATOM 768 N GLU A 44 -7.912 3.846 1.664 1.00 0.00 N ATOM 769 CA GLU A 44 -8.955 3.149 0.921 1.00 0.00 C ATOM 770 C GLU A 44 -8.461 1.787 0.440 1.00 0.00 C ATOM 771 O GLU A 44 -7.364 1.669 -0.109 1.00 0.00 O ATOM 772 CB GLU A 44 -9.410 3.990 -0.274 1.00 0.00 C ATOM 773 CG GLU A 44 -10.377 5.100 0.098 1.00 0.00 C ATOM 774 CD GLU A 44 -11.821 4.635 0.118 1.00 0.00 C ATOM 775 OE1 GLU A 44 -12.458 4.629 -0.956 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.312 4.277 1.209 1.00 0.00 O ATOM 0 H GLU A 44 -7.062 4.026 1.130 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.801 2.995 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.535 4.428 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.883 3.338 -1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.112 5.493 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.273 5.920 -0.612 1.00 0.00 H new ATOM 783 N LEU A 45 -9.278 0.761 0.651 1.00 0.00 N ATOM 784 CA LEU A 45 -8.925 -0.594 0.239 1.00 0.00 C ATOM 785 C LEU A 45 -10.147 -1.339 -0.290 1.00 0.00 C ATOM 786 O LEU A 45 -11.284 -0.922 -0.066 1.00 0.00 O ATOM 787 CB LEU A 45 -8.315 -1.362 1.413 1.00 0.00 C ATOM 788 CG LEU A 45 -7.254 -0.617 2.225 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.060 -1.276 3.581 1.00 0.00 C ATOM 790 CD2 LEU A 45 -5.940 -0.564 1.462 1.00 0.00 C ATOM 0 H LEU A 45 -10.188 0.841 1.104 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.190 -0.523 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.120 -1.655 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.871 -2.280 1.029 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.598 0.404 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.302 -0.732 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.001 -1.261 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.738 -2.308 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.197 -0.030 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.590 -1.578 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.090 -0.045 0.515 1.00 0.00 H new ATOM 802 N SER A 46 -9.905 -2.441 -0.990 1.00 0.00 N ATOM 803 CA SER A 46 -10.985 -3.242 -1.553 1.00 0.00 C ATOM 804 C SER A 46 -10.504 -4.654 -1.873 1.00 0.00 C ATOM 805 O SER A 46 -9.301 -4.914 -1.937 1.00 0.00 O ATOM 806 CB SER A 46 -11.535 -2.579 -2.817 1.00 0.00 C ATOM 807 OG SER A 46 -11.404 -1.170 -2.752 1.00 0.00 O ATOM 0 H SER A 46 -8.970 -2.800 -1.181 1.00 0.00 H new ATOM 0 HA SER A 46 -11.781 -3.308 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.003 -2.957 -3.690 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.585 -2.844 -2.943 1.00 0.00 H new ATOM 0 HG SER A 46 -11.761 -0.770 -3.572 1.00 0.00 H new ATOM 813 N LEU A 47 -11.452 -5.564 -2.075 1.00 0.00 N ATOM 814 CA LEU A 47 -11.127 -6.951 -2.390 1.00 0.00 C ATOM 815 C LEU A 47 -11.531 -7.294 -3.820 1.00 0.00 C ATOM 816 O LEU A 47 -12.595 -6.887 -4.289 1.00 0.00 O ATOM 817 CB LEU A 47 -11.825 -7.894 -1.409 1.00 0.00 C ATOM 818 CG LEU A 47 -11.809 -9.378 -1.777 1.00 0.00 C ATOM 819 CD1 LEU A 47 -10.422 -9.965 -1.566 1.00 0.00 C ATOM 820 CD2 LEU A 47 -12.844 -10.141 -0.963 1.00 0.00 C ATOM 0 H LEU A 47 -12.451 -5.366 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.048 -7.076 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.359 -7.778 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.863 -7.577 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.065 -9.474 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.430 -11.022 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.704 -9.437 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.137 -9.857 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.818 -11.195 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -12.620 -10.038 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.836 -9.737 -1.166 1.00 0.00 H new ATOM 832 N LEU A 48 -10.678 -8.047 -4.506 1.00 0.00 N ATOM 833 CA LEU A 48 -10.948 -8.448 -5.883 1.00 0.00 C ATOM 834 C LEU A 48 -10.528 -9.895 -6.120 1.00 0.00 C ATOM 835 O LEU A 48 -9.368 -10.256 -5.920 1.00 0.00 O ATOM 836 CB LEU A 48 -10.216 -7.525 -6.857 1.00 0.00 C ATOM 837 CG LEU A 48 -10.426 -6.025 -6.646 1.00 0.00 C ATOM 838 CD1 LEU A 48 -9.615 -5.226 -7.655 1.00 0.00 C ATOM 839 CD2 LEU A 48 -11.903 -5.674 -6.750 1.00 0.00 C ATOM 0 H LEU A 48 -9.794 -8.392 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.021 -8.368 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.148 -7.735 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.530 -7.777 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.080 -5.766 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.777 -4.161 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.556 -5.455 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.930 -5.489 -8.665 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.034 -4.603 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.273 -5.948 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.461 -6.220 -5.989 1.00 0.00 H new ATOM 851 N GLY A 49 -11.477 -10.720 -6.552 1.00 0.00 N ATOM 852 CA GLY A 49 -11.185 -12.117 -6.812 1.00 0.00 C ATOM 853 C GLY A 49 -11.764 -12.595 -8.129 1.00 0.00 C ATOM 854 O GLY A 49 -12.409 -13.642 -8.189 1.00 0.00 O ATOM 0 H GLY A 49 -12.444 -10.445 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.105 -12.264 -6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.585 -12.726 -6.001 1.00 0.00 H new ATOM 858 N LYS A 50 -11.536 -11.825 -9.187 1.00 0.00 N ATOM 859 CA LYS A 50 -12.039 -12.174 -10.511 1.00 0.00 C ATOM 860 C LYS A 50 -11.624 -13.591 -10.894 1.00 0.00 C ATOM 861 O LYS A 50 -12.448 -14.392 -11.336 1.00 0.00 O ATOM 862 CB LYS A 50 -11.524 -11.180 -11.554 1.00 0.00 C ATOM 863 CG LYS A 50 -12.427 -11.051 -12.768 1.00 0.00 C ATOM 864 CD LYS A 50 -13.476 -9.970 -12.570 1.00 0.00 C ATOM 865 CE LYS A 50 -14.507 -9.982 -13.689 1.00 0.00 C ATOM 866 NZ LYS A 50 -13.913 -9.575 -14.994 1.00 0.00 N ATOM 0 H LYS A 50 -11.006 -10.954 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.128 -12.128 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.414 -10.201 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.532 -11.491 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.826 -10.819 -13.647 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.918 -12.005 -12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.975 -10.117 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.992 -8.994 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.933 -10.981 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.325 -9.308 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.650 -9.579 -15.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.513 -8.618 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.160 -10.243 -15.256 1.00 0.00 H new ATOM 880 N LYS A 51 -10.342 -13.894 -10.721 1.00 0.00 N ATOM 881 CA LYS A 51 -9.817 -15.215 -11.046 1.00 0.00 C ATOM 882 C LYS A 51 -9.052 -15.802 -9.865 1.00 0.00 C ATOM 883 O LYS A 51 -9.221 -16.972 -9.521 1.00 0.00 O ATOM 884 CB LYS A 51 -8.903 -15.136 -12.271 1.00 0.00 C ATOM 885 CG LYS A 51 -8.358 -16.483 -12.712 1.00 0.00 C ATOM 886 CD LYS A 51 -9.362 -17.237 -13.569 1.00 0.00 C ATOM 887 CE LYS A 51 -8.677 -18.267 -14.453 1.00 0.00 C ATOM 888 NZ LYS A 51 -8.011 -17.636 -15.627 1.00 0.00 N ATOM 0 H LYS A 51 -9.647 -13.242 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.660 -15.868 -11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.455 -14.689 -13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.068 -14.471 -12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.436 -16.337 -13.274 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.106 -17.079 -11.835 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.090 -17.733 -12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.914 -16.532 -14.191 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.938 -18.814 -13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.411 -18.994 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.644 -18.377 -16.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.699 -17.051 -16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.225 -17.038 -15.300 1.00 0.00 H new ATOM 902 N LYS A 52 -8.209 -14.982 -9.245 1.00 0.00 N ATOM 903 CA LYS A 52 -7.420 -15.420 -8.099 1.00 0.00 C ATOM 904 C LYS A 52 -7.512 -14.410 -6.959 1.00 0.00 C ATOM 905 O LYS A 52 -7.992 -13.292 -7.143 1.00 0.00 O ATOM 906 CB LYS A 52 -5.957 -15.613 -8.506 1.00 0.00 C ATOM 907 CG LYS A 52 -5.742 -16.764 -9.473 1.00 0.00 C ATOM 908 CD LYS A 52 -5.435 -18.058 -8.738 1.00 0.00 C ATOM 909 CE LYS A 52 -6.705 -18.836 -8.424 1.00 0.00 C ATOM 910 NZ LYS A 52 -7.257 -18.480 -7.087 1.00 0.00 N ATOM 0 H LYS A 52 -8.055 -14.011 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.823 -16.371 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.591 -14.693 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.359 -15.785 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.633 -16.896 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.921 -16.524 -10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.771 -18.673 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.905 -17.835 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.453 -18.635 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.494 -19.905 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.043 -19.239 -6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.827 -17.592 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.288 -18.360 -7.158 1.00 0.00 H new ATOM 924 N LYS A 53 -7.047 -14.813 -5.781 1.00 0.00 N ATOM 925 CA LYS A 53 -7.073 -13.943 -4.611 1.00 0.00 C ATOM 926 C LYS A 53 -6.218 -12.700 -4.836 1.00 0.00 C ATOM 927 O LYS A 53 -4.990 -12.766 -4.802 1.00 0.00 O ATOM 928 CB LYS A 53 -6.576 -14.700 -3.377 1.00 0.00 C ATOM 929 CG LYS A 53 -7.598 -15.665 -2.803 1.00 0.00 C ATOM 930 CD LYS A 53 -6.994 -16.532 -1.710 1.00 0.00 C ATOM 931 CE LYS A 53 -6.369 -17.796 -2.281 1.00 0.00 C ATOM 932 NZ LYS A 53 -6.391 -18.916 -1.301 1.00 0.00 N ATOM 0 H LYS A 53 -6.648 -15.736 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.103 -13.628 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.674 -15.253 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.296 -13.980 -2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.442 -15.105 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.987 -16.300 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.237 -15.963 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.766 -16.801 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.906 -18.091 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.340 -17.591 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.911 -19.744 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.901 -18.626 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.376 -19.162 -1.078 1.00 0.00 H new ATOM 946 N ARG A 54 -6.877 -11.569 -5.064 1.00 0.00 N ATOM 947 CA ARG A 54 -6.177 -10.310 -5.295 1.00 0.00 C ATOM 948 C ARG A 54 -6.652 -9.237 -4.320 1.00 0.00 C ATOM 949 O ARG A 54 -7.825 -9.201 -3.944 1.00 0.00 O ATOM 950 CB ARG A 54 -6.392 -9.839 -6.735 1.00 0.00 C ATOM 951 CG ARG A 54 -5.544 -10.584 -7.752 1.00 0.00 C ATOM 952 CD ARG A 54 -5.242 -9.718 -8.965 1.00 0.00 C ATOM 953 NE ARG A 54 -6.457 -9.317 -9.669 1.00 0.00 N ATOM 954 CZ ARG A 54 -6.528 -8.261 -10.470 1.00 0.00 C ATOM 955 NH1 ARG A 54 -5.459 -7.502 -10.669 1.00 0.00 N ATOM 956 NH2 ARG A 54 -7.671 -7.961 -11.075 1.00 0.00 N ATOM 0 H ARG A 54 -7.894 -11.498 -5.094 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.113 -10.479 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.444 -9.959 -6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.167 -8.774 -6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.610 -10.900 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.064 -11.488 -8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.697 -8.829 -8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.592 -10.265 -9.648 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.298 -9.880 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.579 -7.729 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.517 -6.691 -11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.496 -8.542 -10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.725 -7.149 -11.690 1.00 0.00 H new ATOM 970 N LEU A 55 -5.736 -8.364 -3.917 1.00 0.00 N ATOM 971 CA LEU A 55 -6.061 -7.290 -2.985 1.00 0.00 C ATOM 972 C LEU A 55 -5.933 -5.927 -3.660 1.00 0.00 C ATOM 973 O LEU A 55 -4.911 -5.622 -4.274 1.00 0.00 O ATOM 974 CB LEU A 55 -5.145 -7.354 -1.762 1.00 0.00 C ATOM 975 CG LEU A 55 -5.158 -6.128 -0.849 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.472 -6.044 -0.085 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.981 -6.168 0.115 1.00 0.00 C ATOM 0 H LEU A 55 -4.762 -8.379 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.094 -7.421 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.423 -8.226 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.123 -7.515 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.064 -5.237 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.463 -5.165 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.299 -5.967 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.597 -6.939 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.006 -5.288 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.044 -7.067 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.049 -6.179 -0.449 1.00 0.00 H new ATOM 989 N ARG A 56 -6.976 -5.113 -3.538 1.00 0.00 N ATOM 990 CA ARG A 56 -6.980 -3.783 -4.135 1.00 0.00 C ATOM 991 C ARG A 56 -6.562 -2.728 -3.115 1.00 0.00 C ATOM 992 O ARG A 56 -7.217 -2.548 -2.089 1.00 0.00 O ATOM 993 CB ARG A 56 -8.369 -3.453 -4.686 1.00 0.00 C ATOM 994 CG ARG A 56 -8.369 -2.314 -5.693 1.00 0.00 C ATOM 995 CD ARG A 56 -9.773 -2.016 -6.197 1.00 0.00 C ATOM 996 NE ARG A 56 -9.757 -1.312 -7.476 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.833 -0.759 -8.024 1.00 0.00 C ATOM 998 NH1 ARG A 56 -12.005 -0.827 -7.406 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.739 -0.135 -9.191 1.00 0.00 N ATOM 0 H ARG A 56 -7.829 -5.351 -3.031 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.260 -3.777 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.785 -4.344 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.028 -3.194 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.949 -1.420 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.726 -2.571 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.326 -2.949 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.303 -1.414 -5.459 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.871 -1.241 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.081 -1.305 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.830 -0.402 -7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.839 -0.079 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.566 0.289 -9.611 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.466 -2.034 -3.405 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.959 -0.998 -2.515 1.00 0.00 C ATOM 1015 C VAL A 57 -5.221 0.393 -3.084 1.00 0.00 C ATOM 1016 O VAL A 57 -4.737 0.733 -4.164 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.448 -1.161 -2.264 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -2.908 0.018 -1.469 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.167 -2.473 -1.547 1.00 0.00 C ATOM 0 H VAL A 57 -4.912 -2.171 -4.250 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.490 -1.107 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.937 -1.182 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.839 -0.115 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.076 0.940 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.421 0.075 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.095 -2.573 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.688 -2.483 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.516 -3.304 -2.159 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.989 1.190 -2.351 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.314 2.545 -2.783 1.00 0.00 C ATOM 1031 C ASP A 58 -5.718 3.577 -1.830 1.00 0.00 C ATOM 1032 O ASP A 58 -6.015 3.581 -0.636 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.831 2.727 -2.865 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.222 4.080 -3.426 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.963 5.099 -2.752 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.788 4.119 -4.538 1.00 0.00 O ATOM 0 H ASP A 58 -6.398 0.923 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.883 2.697 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.255 1.941 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.262 2.611 -1.871 1.00 0.00 H new ATOM 1041 N LYS A 59 -4.872 4.451 -2.367 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.233 5.488 -1.566 1.00 0.00 C ATOM 1043 C LYS A 59 -5.020 6.792 -1.636 1.00 0.00 C ATOM 1044 O LYS A 59 -5.857 6.976 -2.521 1.00 0.00 O ATOM 1045 CB LYS A 59 -2.799 5.720 -2.047 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.713 6.377 -3.413 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.776 5.349 -4.531 1.00 0.00 C ATOM 1048 CE LYS A 59 -1.993 5.806 -5.753 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.444 4.656 -6.523 1.00 0.00 N ATOM 0 H LYS A 59 -4.613 4.461 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.213 5.151 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.278 6.343 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.277 4.764 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.529 7.090 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.784 6.942 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.377 4.399 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.816 5.174 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.641 6.399 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.176 6.455 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.412 4.898 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.483 4.441 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.053 3.824 -6.385 1.00 0.00 H new ATOM 1063 N TRP A 60 -4.748 7.693 -0.699 1.00 0.00 N ATOM 1064 CA TRP A 60 -5.431 8.982 -0.656 1.00 0.00 C ATOM 1065 C TRP A 60 -5.479 9.619 -2.040 1.00 0.00 C ATOM 1066 O TRP A 60 -4.874 9.115 -2.987 1.00 0.00 O ATOM 1067 CB TRP A 60 -4.731 9.921 0.327 1.00 0.00 C ATOM 1068 CG TRP A 60 -4.988 9.576 1.763 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -4.760 8.375 2.372 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -5.524 10.442 2.769 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -5.122 8.442 3.694 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -5.593 9.699 3.964 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -5.950 11.773 2.778 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -6.072 10.245 5.153 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -6.427 12.312 3.957 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -6.483 11.549 5.132 1.00 0.00 C ATOM 0 H TRP A 60 -4.060 7.555 0.041 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.454 8.812 -0.319 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -3.657 9.895 0.141 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.062 10.943 0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.354 7.501 1.885 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.052 7.679 4.367 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -5.907 12.370 1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -6.117 9.659 6.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -6.762 13.338 3.974 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -6.858 12.000 6.039 1.00 0.00 H new ATOM 1087 N TRP A 61 -6.201 10.727 -2.152 1.00 0.00 N ATOM 1088 CA TRP A 61 -6.328 11.434 -3.422 1.00 0.00 C ATOM 1089 C TRP A 61 -6.043 12.921 -3.248 1.00 0.00 C ATOM 1090 O TRP A 61 -6.942 13.753 -3.367 1.00 0.00 O ATOM 1091 CB TRP A 61 -7.728 11.234 -4.003 1.00 0.00 C ATOM 1092 CG TRP A 61 -8.352 9.927 -3.615 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -7.762 8.695 -3.649 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -9.685 9.722 -3.136 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -8.649 7.738 -3.222 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -9.836 8.341 -2.900 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -10.767 10.571 -2.883 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -11.023 7.793 -2.424 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -11.945 10.024 -2.410 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.065 8.647 -2.184 1.00 0.00 C ATOM 0 H TRP A 61 -6.708 11.156 -1.378 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.594 11.022 -4.114 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.371 12.048 -3.670 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.674 11.294 -5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.747 8.502 -3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.455 6.739 -3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -10.684 11.634 -3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.119 6.731 -2.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -12.788 10.670 -2.211 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -12.999 8.251 -1.813 1.00 0.00 H new ATOM 1111 N GLY A 62 -4.786 13.250 -2.966 1.00 0.00 N ATOM 1112 CA GLY A 62 -4.407 14.639 -2.781 1.00 0.00 C ATOM 1113 C GLY A 62 -2.936 14.880 -3.058 1.00 0.00 C ATOM 1114 O GLY A 62 -2.450 14.600 -4.153 1.00 0.00 O ATOM 0 H GLY A 62 -4.024 12.580 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.006 15.267 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.636 14.942 -1.759 1.00 0.00 H new ATOM 1118 N ASN A 63 -2.225 15.402 -2.064 1.00 0.00 N ATOM 1119 CA ASN A 63 -0.802 15.684 -2.207 1.00 0.00 C ATOM 1120 C ASN A 63 -0.031 14.417 -2.568 1.00 0.00 C ATOM 1121 O ASN A 63 -0.623 13.362 -2.797 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.245 16.281 -0.913 1.00 0.00 C ATOM 1123 CG ASN A 63 -0.677 17.721 -0.709 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -1.600 18.002 0.056 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -0.009 18.641 -1.394 1.00 0.00 N ATOM 0 H ASN A 63 -2.612 15.638 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.680 16.407 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.578 15.681 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.844 16.230 -0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.254 19.626 -1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.749 18.363 -2.017 1.00 0.00 H new ATOM 1132 N ARG A 64 1.292 14.530 -2.617 1.00 0.00 N ATOM 1133 CA ARG A 64 2.144 13.395 -2.951 1.00 0.00 C ATOM 1134 C ARG A 64 2.284 12.452 -1.759 1.00 0.00 C ATOM 1135 O ARG A 64 3.095 11.526 -1.779 1.00 0.00 O ATOM 1136 CB ARG A 64 3.525 13.881 -3.396 1.00 0.00 C ATOM 1137 CG ARG A 64 3.545 14.451 -4.805 1.00 0.00 C ATOM 1138 CD ARG A 64 4.927 14.966 -5.177 1.00 0.00 C ATOM 1139 NE ARG A 64 5.267 16.191 -4.459 1.00 0.00 N ATOM 1140 CZ ARG A 64 6.509 16.638 -4.316 1.00 0.00 C ATOM 1141 NH1 ARG A 64 7.524 15.964 -4.840 1.00 0.00 N ATOM 1142 NH2 ARG A 64 6.739 17.761 -3.648 1.00 0.00 N ATOM 0 H ARG A 64 1.797 15.396 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 64 1.677 12.850 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.874 14.643 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.229 13.051 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.239 13.682 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.820 15.262 -4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.670 14.199 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.968 15.152 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 64 4.509 16.733 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.351 15.100 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.477 16.309 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.961 18.282 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.694 18.103 -3.539 1.00 0.00 H new ATOM 1156 N LYS A 65 1.489 12.694 -0.723 1.00 0.00 N ATOM 1157 CA LYS A 65 1.523 11.867 0.477 1.00 0.00 C ATOM 1158 C LYS A 65 1.102 10.435 0.163 1.00 0.00 C ATOM 1159 O LYS A 65 1.689 9.481 0.672 1.00 0.00 O ATOM 1160 CB LYS A 65 0.605 12.454 1.552 1.00 0.00 C ATOM 1161 CG LYS A 65 0.514 11.603 2.807 1.00 0.00 C ATOM 1162 CD LYS A 65 1.841 11.558 3.546 1.00 0.00 C ATOM 1163 CE LYS A 65 1.663 11.080 4.980 1.00 0.00 C ATOM 1164 NZ LYS A 65 1.234 12.182 5.883 1.00 0.00 N ATOM 0 H LYS A 65 0.813 13.457 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 65 2.547 11.853 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.965 13.447 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.394 12.579 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.257 12.004 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.210 10.591 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.528 10.894 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.293 12.550 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.923 10.280 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.601 10.659 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.124 11.815 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.952 12.935 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.326 12.567 5.553 1.00 0.00 H new ATOM 1178 N GLU A 66 0.084 10.293 -0.680 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.413 8.976 -1.061 1.00 0.00 C ATOM 1180 C GLU A 66 0.703 8.126 -1.662 1.00 0.00 C ATOM 1181 O GLU A 66 0.693 6.900 -1.553 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.562 9.111 -2.063 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.100 9.254 -3.504 1.00 0.00 C ATOM 1184 CD GLU A 66 -0.478 10.608 -3.785 1.00 0.00 C ATOM 1185 OE1 GLU A 66 0.743 10.756 -3.573 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -1.214 11.520 -4.217 1.00 0.00 O ATOM 0 H GLU A 66 -0.412 11.073 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.780 8.480 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.208 8.237 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.166 9.979 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.375 8.472 -3.729 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.949 9.103 -4.171 1.00 0.00 H new ATOM 1193 N LEU A 67 1.664 8.788 -2.298 1.00 0.00 N ATOM 1194 CA LEU A 67 2.788 8.094 -2.917 1.00 0.00 C ATOM 1195 C LEU A 67 3.586 7.312 -1.879 1.00 0.00 C ATOM 1196 O LEU A 67 3.866 6.127 -2.062 1.00 0.00 O ATOM 1197 CB LEU A 67 3.701 9.095 -3.629 1.00 0.00 C ATOM 1198 CG LEU A 67 4.917 8.505 -4.344 1.00 0.00 C ATOM 1199 CD1 LEU A 67 5.849 7.835 -3.347 1.00 0.00 C ATOM 1200 CD2 LEU A 67 4.478 7.515 -5.414 1.00 0.00 C ATOM 0 H LEU A 67 1.687 9.803 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 67 2.389 7.390 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.106 9.643 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.053 9.821 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 67 5.459 9.317 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.709 7.421 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.190 8.569 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.317 7.034 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.356 7.105 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.913 6.706 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.850 8.024 -6.145 1.00 0.00 H new ATOM 1212 N ALA A 68 3.945 7.982 -0.789 1.00 0.00 N ATOM 1213 CA ALA A 68 4.704 7.348 0.281 1.00 0.00 C ATOM 1214 C ALA A 68 3.899 6.235 0.943 1.00 0.00 C ATOM 1215 O ALA A 68 4.436 5.182 1.285 1.00 0.00 O ATOM 1216 CB ALA A 68 5.127 8.382 1.313 1.00 0.00 C ATOM 0 H ALA A 68 3.722 8.964 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 68 5.597 6.902 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.693 7.894 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.750 9.139 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.242 8.856 1.738 1.00 0.00 H new ATOM 1222 N THR A 69 2.603 6.477 1.123 1.00 0.00 N ATOM 1223 CA THR A 69 1.723 5.497 1.747 1.00 0.00 C ATOM 1224 C THR A 69 1.616 4.234 0.898 1.00 0.00 C ATOM 1225 O THR A 69 1.581 3.122 1.425 1.00 0.00 O ATOM 1226 CB THR A 69 0.311 6.072 1.970 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.400 7.424 2.431 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.461 5.235 2.979 1.00 0.00 C ATOM 0 H THR A 69 2.141 7.343 0.845 1.00 0.00 H new ATOM 0 HA THR A 69 2.163 5.247 2.712 1.00 0.00 H new ATOM 0 HB THR A 69 -0.222 6.048 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.502 7.783 2.569 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.455 5.660 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.553 4.213 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.070 5.231 3.931 1.00 0.00 H new ATOM 1236 N VAL A 70 1.567 4.414 -0.418 1.00 0.00 N ATOM 1237 CA VAL A 70 1.467 3.289 -1.340 1.00 0.00 C ATOM 1238 C VAL A 70 2.705 2.402 -1.261 1.00 0.00 C ATOM 1239 O VAL A 70 2.600 1.182 -1.140 1.00 0.00 O ATOM 1240 CB VAL A 70 1.285 3.768 -2.793 1.00 0.00 C ATOM 1241 CG1 VAL A 70 1.638 2.657 -3.770 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.139 4.254 -3.016 1.00 0.00 C ATOM 0 H VAL A 70 1.595 5.328 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 70 0.591 2.713 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 70 1.963 4.603 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.503 3.014 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.676 2.360 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.988 1.800 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.252 4.589 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.836 3.439 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.351 5.082 -2.340 1.00 0.00 H new ATOM 1252 N ARG A 71 3.877 3.024 -1.329 1.00 0.00 N ATOM 1253 CA ARG A 71 5.136 2.292 -1.265 1.00 0.00 C ATOM 1254 C ARG A 71 5.278 1.569 0.071 1.00 0.00 C ATOM 1255 O ARG A 71 5.880 0.498 0.149 1.00 0.00 O ATOM 1256 CB ARG A 71 6.316 3.244 -1.472 1.00 0.00 C ATOM 1257 CG ARG A 71 6.725 3.401 -2.927 1.00 0.00 C ATOM 1258 CD ARG A 71 7.804 4.460 -3.091 1.00 0.00 C ATOM 1259 NE ARG A 71 7.868 4.969 -4.458 1.00 0.00 N ATOM 1260 CZ ARG A 71 8.529 4.364 -5.438 1.00 0.00 C ATOM 1261 NH1 ARG A 71 9.180 3.233 -5.203 1.00 0.00 N ATOM 1262 NH2 ARG A 71 8.540 4.890 -6.656 1.00 0.00 N ATOM 0 H ARG A 71 3.981 4.034 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 71 5.135 1.548 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.057 4.223 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.170 2.880 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.089 2.447 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.854 3.672 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.609 5.285 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.771 4.038 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 71 7.378 5.837 -4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.174 2.826 -4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.687 2.770 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.040 5.760 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.048 4.424 -7.408 1.00 0.00 H new ATOM 1276 N THR A 72 4.721 2.164 1.122 1.00 0.00 N ATOM 1277 CA THR A 72 4.787 1.580 2.455 1.00 0.00 C ATOM 1278 C THR A 72 3.813 0.416 2.594 1.00 0.00 C ATOM 1279 O THR A 72 4.187 -0.669 3.039 1.00 0.00 O ATOM 1280 CB THR A 72 4.478 2.625 3.543 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.393 3.723 3.441 1.00 0.00 O ATOM 1282 CG2 THR A 72 4.572 2.007 4.930 1.00 0.00 C ATOM 0 H THR A 72 4.219 3.051 1.075 1.00 0.00 H new ATOM 0 HA THR A 72 5.806 1.217 2.590 1.00 0.00 H new ATOM 0 HB THR A 72 3.460 2.985 3.392 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.130 4.300 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.350 2.764 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.854 1.191 5.014 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.579 1.622 5.089 1.00 0.00 H new ATOM 1290 N ILE A 73 2.563 0.648 2.208 1.00 0.00 N ATOM 1291 CA ILE A 73 1.536 -0.383 2.288 1.00 0.00 C ATOM 1292 C ILE A 73 1.845 -1.542 1.347 1.00 0.00 C ATOM 1293 O ILE A 73 1.788 -2.708 1.741 1.00 0.00 O ATOM 1294 CB ILE A 73 0.144 0.181 1.948 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.270 1.233 2.980 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.883 -0.940 1.887 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.637 1.828 2.723 1.00 0.00 C ATOM 0 H ILE A 73 2.237 1.540 1.837 1.00 0.00 H new ATOM 0 HA ILE A 73 1.532 -0.744 3.316 1.00 0.00 H new ATOM 0 HB ILE A 73 0.192 0.657 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.260 0.781 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.470 2.033 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.861 -0.524 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.594 -1.657 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.931 -1.443 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.864 2.565 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.646 2.310 1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.388 1.038 2.745 1.00 0.00 H new ATOM 1309 N CYS A 74 2.175 -1.214 0.103 1.00 0.00 N ATOM 1310 CA CYS A 74 2.495 -2.228 -0.896 1.00 0.00 C ATOM 1311 C CYS A 74 3.739 -3.014 -0.494 1.00 0.00 C ATOM 1312 O CYS A 74 3.786 -4.235 -0.633 1.00 0.00 O ATOM 1313 CB CYS A 74 2.707 -1.578 -2.264 1.00 0.00 C ATOM 1314 SG CYS A 74 1.176 -1.130 -3.114 1.00 0.00 S ATOM 0 H CYS A 74 2.228 -0.254 -0.238 1.00 0.00 H new ATOM 0 HA CYS A 74 1.655 -2.920 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.315 -0.682 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.274 -2.262 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 74 1.427 -0.901 -4.369 1.00 0.00 H new ATOM 1320 N SER A 75 4.746 -2.302 0.004 1.00 0.00 N ATOM 1321 CA SER A 75 5.993 -2.932 0.422 1.00 0.00 C ATOM 1322 C SER A 75 5.770 -3.828 1.636 1.00 0.00 C ATOM 1323 O SER A 75 6.364 -4.900 1.749 1.00 0.00 O ATOM 1324 CB SER A 75 7.043 -1.867 0.745 1.00 0.00 C ATOM 1325 OG SER A 75 8.184 -2.445 1.355 1.00 0.00 O ATOM 0 H SER A 75 4.722 -1.290 0.128 1.00 0.00 H new ATOM 0 HA SER A 75 6.353 -3.550 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.337 -1.352 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.613 -1.117 1.408 1.00 0.00 H new ATOM 0 HG SER A 75 8.841 -1.744 1.550 1.00 0.00 H new ATOM 1331 N HIS A 76 4.908 -3.379 2.544 1.00 0.00 N ATOM 1332 CA HIS A 76 4.605 -4.139 3.752 1.00 0.00 C ATOM 1333 C HIS A 76 3.914 -5.453 3.406 1.00 0.00 C ATOM 1334 O HIS A 76 4.290 -6.515 3.905 1.00 0.00 O ATOM 1335 CB HIS A 76 3.722 -3.315 4.690 1.00 0.00 C ATOM 1336 CG HIS A 76 4.477 -2.288 5.474 1.00 0.00 C ATOM 1337 ND1 HIS A 76 4.176 -1.002 5.770 1.00 0.00 N flip ATOM 1338 CD2 HIS A 76 5.702 -2.537 6.058 1.00 0.00 C flip ATOM 1339 CE1 HIS A 76 5.212 -0.503 6.520 1.00 0.00 C flip ATOM 1340 NE2 HIS A 76 6.120 -1.449 6.681 1.00 0.00 N flip ATOM 0 H HIS A 76 4.408 -2.494 2.466 1.00 0.00 H new ATOM 0 HA HIS A 76 5.545 -4.365 4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.949 -2.817 4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.214 -3.987 5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.236 -3.475 6.013 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.275 0.500 6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.994 -1.356 7.198 1.00 0.00 H new ATOM 1348 N VAL A 77 2.900 -5.377 2.550 1.00 0.00 N ATOM 1349 CA VAL A 77 2.155 -6.561 2.137 1.00 0.00 C ATOM 1350 C VAL A 77 3.049 -7.535 1.377 1.00 0.00 C ATOM 1351 O VAL A 77 3.063 -8.731 1.664 1.00 0.00 O ATOM 1352 CB VAL A 77 0.952 -6.187 1.252 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.246 -7.439 0.755 1.00 0.00 C ATOM 1354 CG2 VAL A 77 -0.010 -5.288 2.013 1.00 0.00 C ATOM 0 H VAL A 77 2.575 -4.507 2.128 1.00 0.00 H new ATOM 0 HA VAL A 77 1.792 -7.040 3.046 1.00 0.00 H new ATOM 0 HB VAL A 77 1.317 -5.637 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.602 -7.155 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.942 -8.041 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.109 -8.019 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.854 -5.034 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.371 -5.809 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.505 -4.376 2.314 1.00 0.00 H new ATOM 1364 N GLN A 78 3.793 -7.013 0.408 1.00 0.00 N ATOM 1365 CA GLN A 78 4.691 -7.837 -0.394 1.00 0.00 C ATOM 1366 C GLN A 78 5.778 -8.461 0.475 1.00 0.00 C ATOM 1367 O GLN A 78 6.137 -9.624 0.295 1.00 0.00 O ATOM 1368 CB GLN A 78 5.326 -7.002 -1.506 1.00 0.00 C ATOM 1369 CG GLN A 78 4.350 -6.601 -2.600 1.00 0.00 C ATOM 1370 CD GLN A 78 3.851 -7.788 -3.400 1.00 0.00 C ATOM 1371 OE1 GLN A 78 2.695 -8.316 -3.017 1.00 0.00 O flip ATOM 1372 NE2 GLN A 78 4.497 -8.226 -4.352 1.00 0.00 N flip ATOM 0 H GLN A 78 3.792 -6.024 0.159 1.00 0.00 H new ATOM 0 HA GLN A 78 4.105 -8.639 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.760 -6.102 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.145 -7.567 -1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.500 -6.086 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.834 -5.892 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.381 -7.789 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.148 -9.025 -4.881 1.00 0.00 H new ATOM 1381 N ASN A 79 6.299 -7.680 1.415 1.00 0.00 N ATOM 1382 CA ASN A 79 7.346 -8.156 2.312 1.00 0.00 C ATOM 1383 C ASN A 79 6.822 -9.263 3.222 1.00 0.00 C ATOM 1384 O ASN A 79 7.534 -10.218 3.528 1.00 0.00 O ATOM 1385 CB ASN A 79 7.889 -7.002 3.155 1.00 0.00 C ATOM 1386 CG ASN A 79 9.075 -7.414 4.006 1.00 0.00 C ATOM 1387 OD1 ASN A 79 10.227 -7.214 3.623 1.00 0.00 O ATOM 1388 ND2 ASN A 79 8.796 -7.994 5.168 1.00 0.00 N ATOM 0 H ASN A 79 6.013 -6.714 1.576 1.00 0.00 H new ATOM 0 HA ASN A 79 8.153 -8.563 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.184 -6.184 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.097 -6.623 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.553 -8.293 5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.825 -8.140 5.445 1.00 0.00 H new ATOM 1395 N MET A 80 5.571 -9.127 3.650 1.00 0.00 N ATOM 1396 CA MET A 80 4.951 -10.116 4.523 1.00 0.00 C ATOM 1397 C MET A 80 4.850 -11.470 3.827 1.00 0.00 C ATOM 1398 O MET A 80 5.226 -12.498 4.392 1.00 0.00 O ATOM 1399 CB MET A 80 3.559 -9.647 4.953 1.00 0.00 C ATOM 1400 CG MET A 80 3.586 -8.504 5.954 1.00 0.00 C ATOM 1401 SD MET A 80 2.028 -7.596 6.014 1.00 0.00 S ATOM 1402 CE MET A 80 1.189 -8.454 7.344 1.00 0.00 C ATOM 0 H MET A 80 4.967 -8.342 3.406 1.00 0.00 H new ATOM 0 HA MET A 80 5.579 -10.227 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.001 -9.333 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.020 -10.488 5.389 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.810 -8.899 6.945 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.392 -7.818 5.695 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.200 -8.019 7.491 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.087 -9.509 7.089 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.768 -8.357 8.262 1.00 0.00 H new ATOM 1412 N ILE A 81 4.342 -11.463 2.599 1.00 0.00 N ATOM 1413 CA ILE A 81 4.194 -12.690 1.827 1.00 0.00 C ATOM 1414 C ILE A 81 5.535 -13.394 1.652 1.00 0.00 C ATOM 1415 O ILE A 81 5.668 -14.583 1.945 1.00 0.00 O ATOM 1416 CB ILE A 81 3.588 -12.412 0.438 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.240 -11.701 0.580 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.429 -13.710 -0.338 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.793 -10.998 -0.683 1.00 0.00 C ATOM 0 H ILE A 81 4.026 -10.621 2.118 1.00 0.00 H new ATOM 0 HA ILE A 81 3.517 -13.335 2.387 1.00 0.00 H new ATOM 0 HB ILE A 81 4.265 -11.761 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.482 -12.430 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.306 -10.973 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.000 -13.498 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.404 -14.181 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.769 -14.383 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.831 -10.516 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.531 -10.246 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.695 -11.725 -1.489 1.00 0.00 H new ATOM 1431 N LYS A 82 6.529 -12.653 1.173 1.00 0.00 N ATOM 1432 CA LYS A 82 7.861 -13.204 0.962 1.00 0.00 C ATOM 1433 C LYS A 82 8.442 -13.740 2.266 1.00 0.00 C ATOM 1434 O LYS A 82 9.055 -14.806 2.293 1.00 0.00 O ATOM 1435 CB LYS A 82 8.790 -12.136 0.379 1.00 0.00 C ATOM 1436 CG LYS A 82 8.804 -12.105 -1.140 1.00 0.00 C ATOM 1437 CD LYS A 82 7.432 -11.774 -1.703 1.00 0.00 C ATOM 1438 CE LYS A 82 7.214 -12.427 -3.059 1.00 0.00 C ATOM 1439 NZ LYS A 82 6.252 -11.659 -3.896 1.00 0.00 N ATOM 0 H LYS A 82 6.436 -11.668 0.924 1.00 0.00 H new ATOM 0 HA LYS A 82 7.777 -14.030 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.484 -11.158 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.803 -12.312 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.527 -11.365 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.131 -13.072 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.662 -12.109 -1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.327 -10.693 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.167 -12.506 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.843 -13.442 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.131 -12.136 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.335 -11.605 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.618 -10.698 -4.052 1.00 0.00 H new ATOM 1453 N GLY A 83 8.244 -12.993 3.348 1.00 0.00 N ATOM 1454 CA GLY A 83 8.753 -13.411 4.642 1.00 0.00 C ATOM 1455 C GLY A 83 8.080 -14.672 5.150 1.00 0.00 C ATOM 1456 O GLY A 83 8.724 -15.522 5.766 1.00 0.00 O ATOM 0 H GLY A 83 7.740 -12.106 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.827 -13.580 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.605 -12.608 5.364 1.00 0.00 H new ATOM 1460 N VAL A 84 6.782 -14.792 4.893 1.00 0.00 N ATOM 1461 CA VAL A 84 6.022 -15.957 5.330 1.00 0.00 C ATOM 1462 C VAL A 84 6.139 -17.097 4.325 1.00 0.00 C ATOM 1463 O VAL A 84 5.684 -18.214 4.579 1.00 0.00 O ATOM 1464 CB VAL A 84 4.533 -15.614 5.528 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.375 -14.479 6.528 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.887 -15.256 4.197 1.00 0.00 C ATOM 0 H VAL A 84 6.235 -14.097 4.385 1.00 0.00 H new ATOM 0 HA VAL A 84 6.445 -16.271 6.284 1.00 0.00 H new ATOM 0 HB VAL A 84 4.026 -16.492 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.317 -14.251 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.799 -14.777 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.895 -13.595 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.836 -15.017 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.395 -14.393 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.967 -16.102 3.514 1.00 0.00 H new ATOM 1476 N THR A 85 6.754 -16.811 3.182 1.00 0.00 N ATOM 1477 CA THR A 85 6.932 -17.812 2.138 1.00 0.00 C ATOM 1478 C THR A 85 8.410 -18.104 1.902 1.00 0.00 C ATOM 1479 O THR A 85 8.763 -19.086 1.248 1.00 0.00 O ATOM 1480 CB THR A 85 6.291 -17.361 0.812 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.827 -16.095 0.414 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.779 -17.257 0.949 1.00 0.00 C ATOM 0 H THR A 85 7.138 -15.893 2.956 1.00 0.00 H new ATOM 0 HA THR A 85 6.436 -18.719 2.482 1.00 0.00 H new ATOM 0 HB THR A 85 6.520 -18.107 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.656 -15.432 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.349 -16.937 -0.000 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.371 -18.230 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.533 -16.530 1.723 1.00 0.00 H new ATOM 1490 N LEU A 86 9.270 -17.245 2.436 1.00 0.00 N ATOM 1491 CA LEU A 86 10.712 -17.411 2.284 1.00 0.00 C ATOM 1492 C LEU A 86 11.376 -17.666 3.633 1.00 0.00 C ATOM 1493 O LEU A 86 12.258 -18.515 3.751 1.00 0.00 O ATOM 1494 CB LEU A 86 11.321 -16.170 1.629 1.00 0.00 C ATOM 1495 CG LEU A 86 10.744 -15.776 0.270 1.00 0.00 C ATOM 1496 CD1 LEU A 86 11.336 -14.457 -0.200 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.997 -16.872 -0.755 1.00 0.00 C ATOM 0 H LEU A 86 8.995 -16.426 2.978 1.00 0.00 H new ATOM 0 HA LEU A 86 10.888 -18.276 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.200 -15.328 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.392 -16.334 1.512 1.00 0.00 H new ATOM 0 HG LEU A 86 9.667 -15.649 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.913 -14.193 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.102 -13.675 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.418 -14.556 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.579 -16.574 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.070 -17.032 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.523 -17.796 -0.424 1.00 0.00 H new