USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=14 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 59 LYS NZ :NH3+ -148:sc= 0.561 (180deg=0) USER MOD Set 1.2: A 69 THR OG1 : rot -70:sc= 0.523 USER MOD Set 2.1: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 52 LYS NZ :NH3+ 145:sc= -0.415 (180deg=-2.18!) USER MOD Set 3.1: A 8 GLN : amide:sc= 0 K(o=-0.017,f=-1.5) USER MOD Set 3.2: A 74 CYS SG : rot 180:sc= -0.0171 USER MOD Single : A 7 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.3) 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 -74:sc= 0.525 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00025 USER MOD Single : A 39 ASN : amide:sc=-0.00722 X(o=-0.0072,f=-0.0072) USER MOD Single : A 40 HIS : no HD1:sc= 0.11 K(o=0.11,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= -0.605 (180deg=-2.11!) USER MOD Single : A 63 ASN : amide:sc= 0.247 K(o=0.25,f=-4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 69:sc= 0.637 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.21) USER MOD Single : A 78 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.047) USER MOD Single : A 79 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 80 MET CE :methyl -177:sc= -0.184 (180deg=-0.222) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -66:sc= 0.0959 USER MOD ----------------------------------------------------------------- ATOM 168 N ASN A 7 -4.609 4.326 -8.150 1.00 0.00 N ATOM 169 CA ASN A 7 -4.529 3.265 -7.153 1.00 0.00 C ATOM 170 C ASN A 7 -3.699 2.094 -7.670 1.00 0.00 C ATOM 171 O ASN A 7 -3.465 1.970 -8.872 1.00 0.00 O ATOM 172 CB ASN A 7 -5.932 2.784 -6.776 1.00 0.00 C ATOM 173 CG ASN A 7 -6.968 3.887 -6.876 1.00 0.00 C ATOM 174 OD1 ASN A 7 -7.010 4.791 -6.042 1.00 0.00 O ATOM 175 ND2 ASN A 7 -7.810 3.817 -7.901 1.00 0.00 N ATOM 0 HA ASN A 7 -4.041 3.670 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.218 1.960 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.918 2.394 -5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.528 4.531 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.738 3.049 -8.568 1.00 0.00 H new ATOM 182 N GLN A 8 -3.259 1.238 -6.754 1.00 0.00 N ATOM 183 CA GLN A 8 -2.455 0.077 -7.117 1.00 0.00 C ATOM 184 C GLN A 8 -3.078 -1.207 -6.578 1.00 0.00 C ATOM 185 O GLN A 8 -3.815 -1.185 -5.592 1.00 0.00 O ATOM 186 CB GLN A 8 -1.030 0.230 -6.584 1.00 0.00 C ATOM 187 CG GLN A 8 -0.001 -0.578 -7.357 1.00 0.00 C ATOM 188 CD GLN A 8 1.383 0.038 -7.308 1.00 0.00 C ATOM 189 OE1 GLN A 8 2.223 -0.356 -6.499 1.00 0.00 O ATOM 190 NE2 GLN A 8 1.628 1.013 -8.177 1.00 0.00 N ATOM 0 H GLN A 8 -3.446 1.326 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.423 0.015 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.751 1.283 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.008 -0.075 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.041 -1.589 -6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.319 -0.665 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.902 1.308 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.542 1.466 -8.191 1.00 0.00 H new ATOM 199 N THR A 9 -2.776 -2.325 -7.230 1.00 0.00 N ATOM 200 CA THR A 9 -3.307 -3.617 -6.818 1.00 0.00 C ATOM 201 C THR A 9 -2.186 -4.573 -6.426 1.00 0.00 C ATOM 202 O THR A 9 -1.041 -4.408 -6.846 1.00 0.00 O ATOM 203 CB THR A 9 -4.148 -4.262 -7.936 1.00 0.00 C ATOM 204 OG1 THR A 9 -4.777 -3.246 -8.724 1.00 0.00 O ATOM 205 CG2 THR A 9 -5.205 -5.187 -7.353 1.00 0.00 C ATOM 0 H THR A 9 -2.166 -2.361 -8.046 1.00 0.00 H new ATOM 0 HA THR A 9 -3.945 -3.434 -5.953 1.00 0.00 H new ATOM 0 HB THR A 9 -3.482 -4.850 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.308 -3.664 -9.433 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.786 -5.631 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.721 -5.977 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.867 -4.618 -6.700 1.00 0.00 H new ATOM 213 N VAL A 10 -2.522 -5.573 -5.617 1.00 0.00 N ATOM 214 CA VAL A 10 -1.543 -6.556 -5.170 1.00 0.00 C ATOM 215 C VAL A 10 -1.943 -7.964 -5.596 1.00 0.00 C ATOM 216 O VAL A 10 -3.130 -8.286 -5.676 1.00 0.00 O ATOM 217 CB VAL A 10 -1.374 -6.523 -3.639 1.00 0.00 C ATOM 218 CG1 VAL A 10 -0.181 -7.366 -3.215 1.00 0.00 C ATOM 219 CG2 VAL A 10 -1.226 -5.091 -3.151 1.00 0.00 C ATOM 0 H VAL A 10 -3.465 -5.723 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.595 -6.294 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.268 -6.947 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.077 -7.331 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.334 -8.398 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.724 -6.975 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.108 -5.086 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.349 -4.638 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.115 -4.521 -3.421 1.00 0.00 H new ATOM 229 N ASP A 11 -0.948 -8.800 -5.868 1.00 0.00 N ATOM 230 CA ASP A 11 -1.196 -10.175 -6.285 1.00 0.00 C ATOM 231 C ASP A 11 -0.771 -11.158 -5.197 1.00 0.00 C ATOM 232 O ASP A 11 0.239 -10.954 -4.523 1.00 0.00 O ATOM 233 CB ASP A 11 -0.448 -10.479 -7.584 1.00 0.00 C ATOM 234 CG ASP A 11 -0.827 -11.826 -8.167 1.00 0.00 C ATOM 235 OD1 ASP A 11 -1.988 -12.248 -7.983 1.00 0.00 O ATOM 236 OD2 ASP A 11 0.038 -12.461 -8.808 1.00 0.00 O ATOM 0 H ASP A 11 0.039 -8.550 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.266 -10.290 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.660 -9.698 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.625 -10.457 -7.396 1.00 0.00 H new ATOM 241 N ILE A 12 -1.549 -12.221 -5.032 1.00 0.00 N ATOM 242 CA ILE A 12 -1.253 -13.235 -4.027 1.00 0.00 C ATOM 243 C ILE A 12 -1.213 -14.628 -4.646 1.00 0.00 C ATOM 244 O ILE A 12 -2.047 -14.990 -5.476 1.00 0.00 O ATOM 245 CB ILE A 12 -2.293 -13.220 -2.891 1.00 0.00 C ATOM 246 CG1 ILE A 12 -2.291 -11.862 -2.185 1.00 0.00 C ATOM 247 CG2 ILE A 12 -2.008 -14.339 -1.899 1.00 0.00 C ATOM 248 CD1 ILE A 12 -3.513 -11.626 -1.327 1.00 0.00 C ATOM 0 H ILE A 12 -2.389 -12.403 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.273 -12.995 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.281 -13.383 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.400 -11.787 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.225 -11.072 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.751 -14.316 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.055 -15.300 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.014 -14.203 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.444 -10.645 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.408 -11.669 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.570 -12.394 -0.556 1.00 0.00 H new ATOM 260 N PRO A 13 -0.221 -15.431 -4.233 1.00 0.00 N ATOM 261 CA PRO A 13 -0.050 -16.798 -4.732 1.00 0.00 C ATOM 262 C PRO A 13 -1.146 -17.737 -4.240 1.00 0.00 C ATOM 263 O PRO A 13 -2.186 -17.291 -3.756 1.00 0.00 O ATOM 264 CB PRO A 13 1.308 -17.216 -4.161 1.00 0.00 C ATOM 265 CG PRO A 13 1.481 -16.376 -2.942 1.00 0.00 C ATOM 266 CD PRO A 13 0.808 -15.066 -3.245 1.00 0.00 C ATOM 0 HA PRO A 13 -0.104 -16.844 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.324 -18.278 -3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.110 -17.042 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.032 -16.854 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.537 -16.229 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.368 -14.624 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.511 -14.337 -3.648 1.00 0.00 H new ATOM 274 N GLU A 14 -0.907 -19.038 -4.369 1.00 0.00 N ATOM 275 CA GLU A 14 -1.876 -20.038 -3.938 1.00 0.00 C ATOM 276 C GLU A 14 -1.396 -20.755 -2.679 1.00 0.00 C ATOM 277 O GLU A 14 -2.183 -21.377 -1.967 1.00 0.00 O ATOM 278 CB GLU A 14 -2.123 -21.056 -5.053 1.00 0.00 C ATOM 279 CG GLU A 14 -0.934 -21.963 -5.323 1.00 0.00 C ATOM 280 CD GLU A 14 -1.132 -22.835 -6.549 1.00 0.00 C ATOM 281 OE1 GLU A 14 -1.771 -22.366 -7.514 1.00 0.00 O ATOM 282 OE2 GLU A 14 -0.646 -23.985 -6.543 1.00 0.00 O ATOM 0 H GLU A 14 -0.051 -19.424 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.810 -19.525 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.985 -21.669 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.379 -20.524 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.040 -21.354 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.761 -22.598 -4.454 1.00 0.00 H new ATOM 289 N ASN A 15 -0.096 -20.661 -2.412 1.00 0.00 N ATOM 290 CA ASN A 15 0.490 -21.301 -1.240 1.00 0.00 C ATOM 291 C ASN A 15 0.390 -20.394 -0.017 1.00 0.00 C ATOM 292 O ASN A 15 0.858 -20.741 1.068 1.00 0.00 O ATOM 293 CB ASN A 15 1.954 -21.656 -1.507 1.00 0.00 C ATOM 294 CG ASN A 15 2.852 -20.434 -1.523 1.00 0.00 C ATOM 295 OD1 ASN A 15 2.841 -19.656 -2.476 1.00 0.00 O ATOM 296 ND2 ASN A 15 3.636 -20.262 -0.465 1.00 0.00 N ATOM 0 H ASN A 15 0.570 -20.149 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.068 -22.215 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.302 -22.349 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.031 -22.173 -2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.263 -19.458 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.611 -20.933 0.302 1.00 0.00 H new ATOM 303 N VAL A 16 -0.224 -19.228 -0.201 1.00 0.00 N ATOM 304 CA VAL A 16 -0.386 -18.272 0.886 1.00 0.00 C ATOM 305 C VAL A 16 -1.854 -17.900 1.076 1.00 0.00 C ATOM 306 O VAL A 16 -2.598 -17.755 0.107 1.00 0.00 O ATOM 307 CB VAL A 16 0.427 -16.989 0.633 1.00 0.00 C ATOM 308 CG1 VAL A 16 0.397 -16.086 1.857 1.00 0.00 C ATOM 309 CG2 VAL A 16 1.858 -17.334 0.250 1.00 0.00 C ATOM 0 H VAL A 16 -0.616 -18.924 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.015 -18.756 1.790 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.028 -16.449 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.977 -15.185 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.634 -15.812 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.826 -16.613 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.419 -16.416 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.326 -17.896 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.856 -17.937 -0.658 1.00 0.00 H new ATOM 319 N ASP A 17 -2.261 -17.747 2.331 1.00 0.00 N ATOM 320 CA ASP A 17 -3.640 -17.391 2.648 1.00 0.00 C ATOM 321 C ASP A 17 -3.698 -16.069 3.408 1.00 0.00 C ATOM 322 O ASP A 17 -3.056 -15.910 4.447 1.00 0.00 O ATOM 323 CB ASP A 17 -4.298 -18.498 3.474 1.00 0.00 C ATOM 324 CG ASP A 17 -4.884 -19.596 2.607 1.00 0.00 C ATOM 325 OD1 ASP A 17 -4.258 -19.939 1.582 1.00 0.00 O ATOM 326 OD2 ASP A 17 -5.965 -20.112 2.956 1.00 0.00 O ATOM 0 H ASP A 17 -1.657 -17.864 3.145 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.185 -17.275 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.561 -18.929 4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.086 -18.067 4.092 1.00 0.00 H new ATOM 331 N ILE A 18 -4.471 -15.124 2.884 1.00 0.00 N ATOM 332 CA ILE A 18 -4.613 -13.817 3.512 1.00 0.00 C ATOM 333 C ILE A 18 -6.077 -13.495 3.786 1.00 0.00 C ATOM 334 O ILE A 18 -6.945 -13.725 2.944 1.00 0.00 O ATOM 335 CB ILE A 18 -4.009 -12.703 2.636 1.00 0.00 C ATOM 336 CG1 ILE A 18 -2.522 -12.964 2.393 1.00 0.00 C ATOM 337 CG2 ILE A 18 -4.213 -11.345 3.292 1.00 0.00 C ATOM 338 CD1 ILE A 18 -2.255 -13.912 1.245 1.00 0.00 C ATOM 0 H ILE A 18 -5.009 -15.240 2.025 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.070 -13.860 4.456 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.520 -12.701 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.023 -12.016 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.080 -13.373 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.781 -10.568 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.279 -11.159 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.725 -11.335 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.180 -14.051 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.725 -14.874 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.667 -13.496 0.326 1.00 0.00 H new ATOM 350 N THR A 19 -6.347 -12.958 4.973 1.00 0.00 N ATOM 351 CA THR A 19 -7.706 -12.603 5.361 1.00 0.00 C ATOM 352 C THR A 19 -7.845 -11.100 5.566 1.00 0.00 C ATOM 353 O THR A 19 -7.059 -10.486 6.291 1.00 0.00 O ATOM 354 CB THR A 19 -8.130 -13.328 6.651 1.00 0.00 C ATOM 355 OG1 THR A 19 -7.944 -14.741 6.504 1.00 0.00 O ATOM 356 CG2 THR A 19 -9.586 -13.036 6.984 1.00 0.00 C ATOM 0 H THR A 19 -5.641 -12.760 5.682 1.00 0.00 H new ATOM 0 HA THR A 19 -8.359 -12.917 4.546 1.00 0.00 H new ATOM 0 HB THR A 19 -7.507 -12.962 7.467 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.215 -15.194 7.330 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.862 -13.559 7.899 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.719 -11.963 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.221 -13.376 6.166 1.00 0.00 H new ATOM 364 N LEU A 20 -8.848 -10.509 4.927 1.00 0.00 N ATOM 365 CA LEU A 20 -9.089 -9.075 5.040 1.00 0.00 C ATOM 366 C LEU A 20 -10.260 -8.793 5.976 1.00 0.00 C ATOM 367 O LEU A 20 -11.384 -9.234 5.735 1.00 0.00 O ATOM 368 CB LEU A 20 -9.368 -8.473 3.662 1.00 0.00 C ATOM 369 CG LEU A 20 -8.284 -8.688 2.605 1.00 0.00 C ATOM 370 CD1 LEU A 20 -8.767 -8.216 1.241 1.00 0.00 C ATOM 371 CD2 LEU A 20 -7.004 -7.967 2.998 1.00 0.00 C ATOM 0 H LEU A 20 -9.508 -11.001 4.325 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.194 -8.613 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.302 -8.892 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.524 -7.401 3.781 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.071 -9.755 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.982 -8.377 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.656 -8.778 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.009 -7.154 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.244 -8.132 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.201 -6.899 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.648 -8.353 3.953 1.00 0.00 H new ATOM 383 N LYS A 21 -9.991 -8.052 7.046 1.00 0.00 N ATOM 384 CA LYS A 21 -11.020 -7.707 8.018 1.00 0.00 C ATOM 385 C LYS A 21 -11.025 -6.207 8.297 1.00 0.00 C ATOM 386 O LYS A 21 -10.217 -5.710 9.081 1.00 0.00 O ATOM 387 CB LYS A 21 -10.801 -8.478 9.321 1.00 0.00 C ATOM 388 CG LYS A 21 -11.420 -9.865 9.319 1.00 0.00 C ATOM 389 CD LYS A 21 -10.733 -10.785 10.315 1.00 0.00 C ATOM 390 CE LYS A 21 -11.138 -10.461 11.745 1.00 0.00 C ATOM 391 NZ LYS A 21 -10.358 -11.254 12.735 1.00 0.00 N ATOM 0 H LYS A 21 -9.067 -7.679 7.261 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.987 -7.984 7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.730 -8.567 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.219 -7.904 10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.480 -9.791 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.351 -10.294 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.987 -11.821 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.652 -10.692 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.989 -9.398 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.201 -10.662 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.663 -11.005 13.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.520 -12.268 12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.345 -11.044 12.628 1.00 0.00 H new ATOM 405 N GLY A 22 -11.940 -5.492 7.652 1.00 0.00 N ATOM 406 CA GLY A 22 -12.034 -4.057 7.845 1.00 0.00 C ATOM 407 C GLY A 22 -10.764 -3.334 7.439 1.00 0.00 C ATOM 408 O GLY A 22 -10.487 -3.172 6.251 1.00 0.00 O ATOM 0 H GLY A 22 -12.619 -5.881 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.871 -3.669 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.249 -3.847 8.893 1.00 0.00 H new ATOM 412 N ARG A 23 -9.992 -2.897 8.429 1.00 0.00 N ATOM 413 CA ARG A 23 -8.747 -2.185 8.167 1.00 0.00 C ATOM 414 C ARG A 23 -7.546 -2.996 8.646 1.00 0.00 C ATOM 415 O ARG A 23 -6.475 -2.447 8.906 1.00 0.00 O ATOM 416 CB ARG A 23 -8.761 -0.820 8.859 1.00 0.00 C ATOM 417 CG ARG A 23 -9.725 0.172 8.227 1.00 0.00 C ATOM 418 CD ARG A 23 -9.051 0.984 7.133 1.00 0.00 C ATOM 419 NE ARG A 23 -10.000 1.420 6.112 1.00 0.00 N ATOM 420 CZ ARG A 23 -10.968 2.301 6.335 1.00 0.00 C ATOM 421 NH1 ARG A 23 -11.115 2.839 7.538 1.00 0.00 N ATOM 422 NH2 ARG A 23 -11.792 2.647 5.355 1.00 0.00 N ATOM 0 H ARG A 23 -10.206 -3.023 9.418 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.660 -2.039 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.028 -0.956 9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.755 -0.401 8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.579 -0.363 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.112 0.843 8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.567 1.855 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.267 0.386 6.668 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.914 1.026 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.484 2.576 8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.859 3.516 7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.683 2.236 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.535 3.324 5.529 1.00 0.00 H new ATOM 436 N THR A 24 -7.732 -4.307 8.761 1.00 0.00 N ATOM 437 CA THR A 24 -6.666 -5.194 9.210 1.00 0.00 C ATOM 438 C THR A 24 -6.332 -6.234 8.146 1.00 0.00 C ATOM 439 O THR A 24 -7.217 -6.919 7.634 1.00 0.00 O ATOM 440 CB THR A 24 -7.048 -5.916 10.515 1.00 0.00 C ATOM 441 OG1 THR A 24 -7.261 -4.960 11.559 1.00 0.00 O ATOM 442 CG2 THR A 24 -5.960 -6.894 10.931 1.00 0.00 C ATOM 0 H THR A 24 -8.611 -4.778 8.549 1.00 0.00 H new ATOM 0 HA THR A 24 -5.791 -4.570 9.392 1.00 0.00 H new ATOM 0 HB THR A 24 -7.968 -6.474 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.398 -4.606 11.859 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.252 -7.392 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.820 -7.638 10.147 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.027 -6.354 11.089 1.00 0.00 H new ATOM 450 N VAL A 25 -5.049 -6.348 7.818 1.00 0.00 N ATOM 451 CA VAL A 25 -4.597 -7.307 6.817 1.00 0.00 C ATOM 452 C VAL A 25 -3.866 -8.476 7.466 1.00 0.00 C ATOM 453 O VAL A 25 -2.809 -8.300 8.073 1.00 0.00 O ATOM 454 CB VAL A 25 -3.668 -6.643 5.784 1.00 0.00 C ATOM 455 CG1 VAL A 25 -3.158 -7.671 4.785 1.00 0.00 C ATOM 456 CG2 VAL A 25 -4.387 -5.507 5.073 1.00 0.00 C ATOM 0 H VAL A 25 -4.304 -5.788 8.231 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.487 -7.678 6.309 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.809 -6.226 6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.503 -7.183 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.603 -8.447 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.002 -8.121 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.715 -5.049 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.265 -5.897 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.696 -4.759 5.803 1.00 0.00 H new ATOM 466 N ILE A 26 -4.435 -9.670 7.332 1.00 0.00 N ATOM 467 CA ILE A 26 -3.836 -10.869 7.904 1.00 0.00 C ATOM 468 C ILE A 26 -3.205 -11.738 6.822 1.00 0.00 C ATOM 469 O ILE A 26 -3.847 -12.071 5.826 1.00 0.00 O ATOM 470 CB ILE A 26 -4.873 -11.703 8.678 1.00 0.00 C ATOM 471 CG1 ILE A 26 -5.584 -10.836 9.720 1.00 0.00 C ATOM 472 CG2 ILE A 26 -4.205 -12.898 9.342 1.00 0.00 C ATOM 473 CD1 ILE A 26 -6.907 -11.406 10.179 1.00 0.00 C ATOM 0 H ILE A 26 -5.309 -9.832 6.833 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.062 -10.536 8.596 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.617 -12.074 7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.931 -10.712 10.584 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.751 -9.843 9.302 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.952 -13.477 9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.742 -13.526 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.441 -12.548 10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.354 -10.739 10.917 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.577 -11.504 9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.745 -12.386 10.627 1.00 0.00 H new ATOM 485 N VAL A 27 -1.943 -12.105 7.025 1.00 0.00 N ATOM 486 CA VAL A 27 -1.227 -12.940 6.068 1.00 0.00 C ATOM 487 C VAL A 27 -0.746 -14.232 6.718 1.00 0.00 C ATOM 488 O VAL A 27 -0.176 -14.218 7.809 1.00 0.00 O ATOM 489 CB VAL A 27 -0.015 -12.196 5.473 1.00 0.00 C ATOM 490 CG1 VAL A 27 0.722 -13.084 4.483 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.460 -10.900 4.812 1.00 0.00 C ATOM 0 H VAL A 27 -1.396 -11.837 7.843 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.928 -13.178 5.268 1.00 0.00 H new ATOM 0 HB VAL A 27 0.672 -11.948 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.574 -12.542 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.073 -13.982 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.048 -13.365 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.407 -10.387 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.166 -11.123 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.940 -10.260 5.552 1.00 0.00 H new ATOM 501 N LYS A 28 -0.979 -15.351 6.040 1.00 0.00 N ATOM 502 CA LYS A 28 -0.570 -16.655 6.548 1.00 0.00 C ATOM 503 C LYS A 28 0.294 -17.390 5.529 1.00 0.00 C ATOM 504 O LYS A 28 -0.060 -17.485 4.355 1.00 0.00 O ATOM 505 CB LYS A 28 -1.797 -17.499 6.895 1.00 0.00 C ATOM 506 CG LYS A 28 -1.516 -18.598 7.906 1.00 0.00 C ATOM 507 CD LYS A 28 -2.794 -19.098 8.557 1.00 0.00 C ATOM 508 CE LYS A 28 -3.246 -18.176 9.679 1.00 0.00 C ATOM 509 NZ LYS A 28 -4.676 -18.396 10.035 1.00 0.00 N ATOM 0 H LYS A 28 -1.450 -15.381 5.136 1.00 0.00 H new ATOM 0 HA LYS A 28 0.020 -16.495 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.577 -16.846 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.188 -17.948 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.010 -19.427 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.839 -18.223 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.581 -19.172 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.634 -20.101 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.623 -18.341 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.102 -17.139 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.946 -17.749 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.273 -18.214 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.809 -19.379 10.348 1.00 0.00 H new ATOM 523 N GLY A 29 1.430 -17.909 5.986 1.00 0.00 N ATOM 524 CA GLY A 29 2.326 -18.629 5.101 1.00 0.00 C ATOM 525 C GLY A 29 2.887 -19.885 5.739 1.00 0.00 C ATOM 526 O GLY A 29 2.830 -20.066 6.955 1.00 0.00 O ATOM 0 H GLY A 29 1.745 -17.843 6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.793 -18.896 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.148 -17.975 4.810 1.00 0.00 H new ATOM 530 N PRO A 30 3.442 -20.779 4.908 1.00 0.00 N ATOM 531 CA PRO A 30 4.024 -22.040 5.376 1.00 0.00 C ATOM 532 C PRO A 30 5.312 -21.826 6.164 1.00 0.00 C ATOM 533 O PRO A 30 5.888 -22.773 6.700 1.00 0.00 O ATOM 534 CB PRO A 30 4.311 -22.801 4.080 1.00 0.00 C ATOM 535 CG PRO A 30 4.471 -21.741 3.045 1.00 0.00 C ATOM 536 CD PRO A 30 3.545 -20.627 3.446 1.00 0.00 C ATOM 0 HA PRO A 30 3.358 -22.568 6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.213 -23.407 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.495 -23.479 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.503 -21.393 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.218 -22.121 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.947 -19.652 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.572 -20.719 2.963 1.00 0.00 H new ATOM 544 N ARG A 31 5.758 -20.576 6.232 1.00 0.00 N ATOM 545 CA ARG A 31 6.980 -20.238 6.954 1.00 0.00 C ATOM 546 C ARG A 31 6.665 -19.408 8.194 1.00 0.00 C ATOM 547 O ARG A 31 7.545 -19.128 9.007 1.00 0.00 O ATOM 548 CB ARG A 31 7.941 -19.471 6.044 1.00 0.00 C ATOM 549 CG ARG A 31 8.228 -20.176 4.729 1.00 0.00 C ATOM 550 CD ARG A 31 9.338 -21.205 4.880 1.00 0.00 C ATOM 551 NE ARG A 31 9.365 -22.148 3.765 1.00 0.00 N ATOM 552 CZ ARG A 31 10.047 -23.288 3.783 1.00 0.00 C ATOM 553 NH1 ARG A 31 10.753 -23.625 4.854 1.00 0.00 N ATOM 554 NH2 ARG A 31 10.023 -24.094 2.729 1.00 0.00 N ATOM 0 H ARG A 31 5.292 -19.780 5.796 1.00 0.00 H new ATOM 0 HA ARG A 31 7.455 -21.167 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.522 -18.487 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.880 -19.312 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.322 -20.666 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.511 -19.441 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.299 -20.695 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.202 -21.751 5.813 1.00 0.00 H new ATOM 0 HE ARG A 31 8.831 -21.919 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.773 -23.008 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.276 -24.501 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.481 -23.839 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.547 -24.969 2.744 1.00 0.00 H new ATOM 568 N GLY A 32 5.402 -19.016 8.334 1.00 0.00 N ATOM 569 CA GLY A 32 4.993 -18.222 9.478 1.00 0.00 C ATOM 570 C GLY A 32 3.728 -17.431 9.212 1.00 0.00 C ATOM 571 O GLY A 32 3.207 -17.434 8.096 1.00 0.00 O ATOM 0 H GLY A 32 4.655 -19.234 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.834 -18.878 10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.797 -17.537 9.747 1.00 0.00 H new ATOM 575 N THR A 33 3.229 -16.751 10.240 1.00 0.00 N ATOM 576 CA THR A 33 2.016 -15.954 10.114 1.00 0.00 C ATOM 577 C THR A 33 2.266 -14.505 10.514 1.00 0.00 C ATOM 578 O THR A 33 2.710 -14.226 11.629 1.00 0.00 O ATOM 579 CB THR A 33 0.876 -16.525 10.979 1.00 0.00 C ATOM 580 OG1 THR A 33 0.694 -17.917 10.692 1.00 0.00 O ATOM 581 CG2 THR A 33 -0.423 -15.776 10.724 1.00 0.00 C ATOM 0 H THR A 33 3.647 -16.737 11.170 1.00 0.00 H new ATOM 0 HA THR A 33 1.720 -15.992 9.066 1.00 0.00 H new ATOM 0 HB THR A 33 1.148 -16.403 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.031 -18.273 11.247 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.214 -16.197 11.346 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.290 -14.722 10.970 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.698 -15.872 9.674 1.00 0.00 H new ATOM 589 N LEU A 34 1.976 -13.585 9.600 1.00 0.00 N ATOM 590 CA LEU A 34 2.169 -12.163 9.859 1.00 0.00 C ATOM 591 C LEU A 34 0.886 -11.382 9.590 1.00 0.00 C ATOM 592 O LEU A 34 0.204 -11.615 8.591 1.00 0.00 O ATOM 593 CB LEU A 34 3.305 -11.616 8.992 1.00 0.00 C ATOM 594 CG LEU A 34 4.611 -12.408 9.020 1.00 0.00 C ATOM 595 CD1 LEU A 34 5.579 -11.878 7.973 1.00 0.00 C ATOM 596 CD2 LEU A 34 5.239 -12.355 10.404 1.00 0.00 C ATOM 0 H LEU A 34 1.607 -13.799 8.674 1.00 0.00 H new ATOM 0 HA LEU A 34 2.432 -12.042 10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.956 -11.566 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.516 -10.594 9.307 1.00 0.00 H new ATOM 0 HG LEU A 34 4.387 -13.449 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.504 -12.454 8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.131 -11.970 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.797 -10.830 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.168 -12.925 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.449 -11.319 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.551 -12.783 11.133 1.00 0.00 H new ATOM 608 N ARG A 35 0.567 -10.453 10.485 1.00 0.00 N ATOM 609 CA ARG A 35 -0.634 -9.637 10.343 1.00 0.00 C ATOM 610 C ARG A 35 -0.319 -8.162 10.578 1.00 0.00 C ATOM 611 O ARG A 35 0.645 -7.825 11.266 1.00 0.00 O ATOM 612 CB ARG A 35 -1.712 -10.102 11.324 1.00 0.00 C ATOM 613 CG ARG A 35 -1.395 -9.779 12.775 1.00 0.00 C ATOM 614 CD ARG A 35 -2.648 -9.795 13.636 1.00 0.00 C ATOM 615 NE ARG A 35 -2.391 -9.301 14.985 1.00 0.00 N ATOM 616 CZ ARG A 35 -3.214 -9.498 16.009 1.00 0.00 C ATOM 617 NH1 ARG A 35 -4.341 -10.175 15.838 1.00 0.00 N ATOM 618 NH2 ARG A 35 -2.911 -9.018 17.209 1.00 0.00 N ATOM 0 H ARG A 35 1.122 -10.246 11.315 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.005 -9.755 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.660 -9.637 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.845 -11.179 11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.677 -10.503 13.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.923 -8.798 12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.418 -9.183 13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.038 -10.812 13.690 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.532 -8.776 15.151 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.578 -10.546 14.918 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.971 -10.325 16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.045 -8.497 17.346 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.544 -9.170 17.994 1.00 0.00 H new ATOM 632 N ARG A 36 -1.138 -7.289 10.002 1.00 0.00 N ATOM 633 CA ARG A 36 -0.946 -5.851 10.145 1.00 0.00 C ATOM 634 C ARG A 36 -2.283 -5.140 10.338 1.00 0.00 C ATOM 635 O ARG A 36 -3.322 -5.616 9.878 1.00 0.00 O ATOM 636 CB ARG A 36 -0.227 -5.285 8.920 1.00 0.00 C ATOM 637 CG ARG A 36 0.140 -3.815 9.054 1.00 0.00 C ATOM 638 CD ARG A 36 1.452 -3.634 9.800 1.00 0.00 C ATOM 639 NE ARG A 36 1.842 -2.229 9.888 1.00 0.00 N ATOM 640 CZ ARG A 36 2.795 -1.781 10.697 1.00 0.00 C ATOM 641 NH1 ARG A 36 3.451 -2.622 11.484 1.00 0.00 N ATOM 642 NH2 ARG A 36 3.093 -0.488 10.721 1.00 0.00 N ATOM 0 H ARG A 36 -1.941 -7.552 9.431 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.332 -5.679 11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.680 -5.863 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.863 -5.414 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.219 -3.367 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.655 -3.287 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.358 -4.048 10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.237 -4.197 9.295 1.00 0.00 H new ATOM 0 HE ARG A 36 1.356 -1.556 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.224 -3.616 11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.183 -2.275 12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.590 0.163 10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.825 -0.145 11.343 1.00 0.00 H new ATOM 656 N ASP A 37 -2.249 -4.001 11.018 1.00 0.00 N ATOM 657 CA ASP A 37 -3.457 -3.224 11.271 1.00 0.00 C ATOM 658 C ASP A 37 -3.284 -1.782 10.804 1.00 0.00 C ATOM 659 O ASP A 37 -2.339 -1.100 11.202 1.00 0.00 O ATOM 660 CB ASP A 37 -3.807 -3.253 12.759 1.00 0.00 C ATOM 661 CG ASP A 37 -5.113 -2.545 13.061 1.00 0.00 C ATOM 662 OD1 ASP A 37 -5.123 -1.297 13.065 1.00 0.00 O ATOM 663 OD2 ASP A 37 -6.124 -3.239 13.295 1.00 0.00 O ATOM 0 H ASP A 37 -1.397 -3.594 11.405 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.273 -3.674 10.706 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.873 -4.288 13.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.003 -2.785 13.327 1.00 0.00 H new ATOM 668 N PHE A 38 -4.201 -1.324 9.959 1.00 0.00 N ATOM 669 CA PHE A 38 -4.148 0.037 9.438 1.00 0.00 C ATOM 670 C PHE A 38 -5.362 0.841 9.894 1.00 0.00 C ATOM 671 O PHE A 38 -5.720 1.847 9.280 1.00 0.00 O ATOM 672 CB PHE A 38 -4.081 0.017 7.908 1.00 0.00 C ATOM 673 CG PHE A 38 -2.865 -0.682 7.371 1.00 0.00 C ATOM 674 CD1 PHE A 38 -1.617 -0.086 7.446 1.00 0.00 C ATOM 675 CD2 PHE A 38 -2.970 -1.936 6.791 1.00 0.00 C ATOM 676 CE1 PHE A 38 -0.496 -0.727 6.953 1.00 0.00 C ATOM 677 CE2 PHE A 38 -1.854 -2.582 6.295 1.00 0.00 C ATOM 678 CZ PHE A 38 -0.614 -1.977 6.377 1.00 0.00 C ATOM 0 H PHE A 38 -4.990 -1.875 9.620 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.250 0.515 9.829 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.974 -0.473 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.094 1.042 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.519 0.891 7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.936 -2.414 6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.471 -0.251 7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.950 -3.558 5.844 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.260 -2.480 5.992 1.00 0.00 H new ATOM 688 N ASN A 39 -5.990 0.392 10.975 1.00 0.00 N ATOM 689 CA ASN A 39 -7.164 1.068 11.513 1.00 0.00 C ATOM 690 C ASN A 39 -6.820 2.490 11.949 1.00 0.00 C ATOM 691 O ASN A 39 -7.692 3.357 12.018 1.00 0.00 O ATOM 692 CB ASN A 39 -7.733 0.284 12.697 1.00 0.00 C ATOM 693 CG ASN A 39 -8.995 0.914 13.256 1.00 0.00 C ATOM 694 OD1 ASN A 39 -8.965 1.573 14.295 1.00 0.00 O ATOM 695 ND2 ASN A 39 -10.111 0.712 12.567 1.00 0.00 N ATOM 0 H ASN A 39 -5.705 -0.437 11.496 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.916 1.119 10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.949 -0.737 12.383 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.981 0.223 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.991 1.110 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.088 0.159 11.710 1.00 0.00 H new ATOM 702 N HIS A 40 -5.544 2.721 12.240 1.00 0.00 N ATOM 703 CA HIS A 40 -5.084 4.038 12.669 1.00 0.00 C ATOM 704 C HIS A 40 -4.781 4.925 11.465 1.00 0.00 C ATOM 705 O HIS A 40 -3.933 5.815 11.536 1.00 0.00 O ATOM 706 CB HIS A 40 -3.839 3.906 13.546 1.00 0.00 C ATOM 707 CG HIS A 40 -2.634 3.416 12.806 1.00 0.00 C ATOM 708 ND1 HIS A 40 -2.476 2.106 12.406 1.00 0.00 N ATOM 709 CD2 HIS A 40 -1.524 4.070 12.391 1.00 0.00 C ATOM 710 CE1 HIS A 40 -1.321 1.975 11.779 1.00 0.00 C ATOM 711 NE2 HIS A 40 -0.724 3.152 11.756 1.00 0.00 N ATOM 0 H HIS A 40 -4.810 2.014 12.187 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.880 4.503 13.250 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.613 4.876 13.990 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.054 3.222 14.367 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.308 5.119 12.533 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -0.931 1.060 11.357 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.184 3.348 11.335 1.00 0.00 H new ATOM 719 N ILE A 41 -5.478 4.674 10.361 1.00 0.00 N ATOM 720 CA ILE A 41 -5.282 5.451 9.143 1.00 0.00 C ATOM 721 C ILE A 41 -6.567 5.522 8.325 1.00 0.00 C ATOM 722 O ILE A 41 -7.247 4.517 8.129 1.00 0.00 O ATOM 723 CB ILE A 41 -4.163 4.854 8.269 1.00 0.00 C ATOM 724 CG1 ILE A 41 -2.885 4.672 9.092 1.00 0.00 C ATOM 725 CG2 ILE A 41 -3.901 5.745 7.064 1.00 0.00 C ATOM 726 CD1 ILE A 41 -1.799 3.916 8.360 1.00 0.00 C ATOM 0 H ILE A 41 -6.182 3.940 10.285 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.994 6.456 9.452 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.484 3.876 7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.504 5.652 9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.128 4.142 10.013 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.108 5.310 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.810 5.829 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.597 6.735 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.923 3.824 9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.162 2.922 8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.528 4.456 7.453 1.00 0.00 H new ATOM 738 N ASN A 42 -6.892 6.720 7.849 1.00 0.00 N ATOM 739 CA ASN A 42 -8.096 6.924 7.051 1.00 0.00 C ATOM 740 C ASN A 42 -7.780 6.841 5.560 1.00 0.00 C ATOM 741 O ASN A 42 -7.410 7.835 4.936 1.00 0.00 O ATOM 742 CB ASN A 42 -8.724 8.281 7.375 1.00 0.00 C ATOM 743 CG ASN A 42 -8.925 8.484 8.864 1.00 0.00 C ATOM 744 OD1 ASN A 42 -7.996 8.854 9.582 1.00 0.00 O ATOM 745 ND2 ASN A 42 -10.143 8.242 9.335 1.00 0.00 N ATOM 0 H ASN A 42 -6.339 7.563 8.002 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.805 6.134 7.300 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.087 9.075 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.685 8.364 6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.338 8.361 10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.883 7.937 8.703 1.00 0.00 H new ATOM 752 N VAL A 43 -7.930 5.646 4.995 1.00 0.00 N ATOM 753 CA VAL A 43 -7.662 5.433 3.578 1.00 0.00 C ATOM 754 C VAL A 43 -8.764 4.602 2.931 1.00 0.00 C ATOM 755 O VAL A 43 -9.757 4.263 3.573 1.00 0.00 O ATOM 756 CB VAL A 43 -6.309 4.730 3.362 1.00 0.00 C ATOM 757 CG1 VAL A 43 -5.162 5.715 3.527 1.00 0.00 C ATOM 758 CG2 VAL A 43 -6.158 3.558 4.321 1.00 0.00 C ATOM 0 H VAL A 43 -8.235 4.812 5.497 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.630 6.417 3.110 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.280 4.343 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.214 5.200 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.263 6.517 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.185 6.135 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.196 3.073 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.209 3.919 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.961 2.841 4.149 1.00 0.00 H new ATOM 768 N GLU A 44 -8.580 4.275 1.655 1.00 0.00 N ATOM 769 CA GLU A 44 -9.560 3.483 0.920 1.00 0.00 C ATOM 770 C GLU A 44 -8.969 2.140 0.501 1.00 0.00 C ATOM 771 O GLU A 44 -7.864 2.076 -0.041 1.00 0.00 O ATOM 772 CB GLU A 44 -10.044 4.246 -0.313 1.00 0.00 C ATOM 773 CG GLU A 44 -10.951 5.421 0.015 1.00 0.00 C ATOM 774 CD GLU A 44 -12.379 4.994 0.295 1.00 0.00 C ATOM 775 OE1 GLU A 44 -13.169 4.894 -0.667 1.00 0.00 O ATOM 776 OE2 GLU A 44 -12.706 4.759 1.477 1.00 0.00 O ATOM 0 H GLU A 44 -7.762 4.546 1.109 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.408 3.298 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.179 4.609 -0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.577 3.558 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.556 5.949 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.943 6.125 -0.817 1.00 0.00 H new ATOM 783 N LEU A 45 -9.711 1.069 0.756 1.00 0.00 N ATOM 784 CA LEU A 45 -9.262 -0.274 0.406 1.00 0.00 C ATOM 785 C LEU A 45 -10.393 -1.080 -0.225 1.00 0.00 C ATOM 786 O LEU A 45 -11.561 -0.906 0.123 1.00 0.00 O ATOM 787 CB LEU A 45 -8.737 -0.998 1.648 1.00 0.00 C ATOM 788 CG LEU A 45 -7.812 -0.187 2.556 1.00 0.00 C ATOM 789 CD1 LEU A 45 -7.681 -0.854 3.916 1.00 0.00 C ATOM 790 CD2 LEU A 45 -6.445 -0.016 1.910 1.00 0.00 C ATOM 0 H LEU A 45 -10.627 1.104 1.204 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.456 -0.182 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.591 -1.332 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.204 -1.892 1.325 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.250 0.801 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.019 -0.263 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.663 -0.923 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.267 -1.855 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.800 0.564 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.000 -0.996 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.554 0.507 0.960 1.00 0.00 H new ATOM 802 N SER A 46 -10.038 -1.963 -1.153 1.00 0.00 N ATOM 803 CA SER A 46 -11.023 -2.794 -1.834 1.00 0.00 C ATOM 804 C SER A 46 -10.467 -4.190 -2.098 1.00 0.00 C ATOM 805 O SER A 46 -9.255 -4.378 -2.204 1.00 0.00 O ATOM 806 CB SER A 46 -11.447 -2.144 -3.152 1.00 0.00 C ATOM 807 OG SER A 46 -12.179 -0.953 -2.921 1.00 0.00 O ATOM 0 H SER A 46 -9.075 -2.121 -1.450 1.00 0.00 H new ATOM 0 HA SER A 46 -11.894 -2.885 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.564 -1.922 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.055 -2.843 -3.727 1.00 0.00 H new ATOM 0 HG SER A 46 -12.437 -0.556 -3.779 1.00 0.00 H new ATOM 813 N LEU A 47 -11.362 -5.167 -2.203 1.00 0.00 N ATOM 814 CA LEU A 47 -10.962 -6.547 -2.454 1.00 0.00 C ATOM 815 C LEU A 47 -11.177 -6.917 -3.918 1.00 0.00 C ATOM 816 O LEU A 47 -12.139 -6.474 -4.548 1.00 0.00 O ATOM 817 CB LEU A 47 -11.751 -7.499 -1.553 1.00 0.00 C ATOM 818 CG LEU A 47 -13.064 -8.032 -2.127 1.00 0.00 C ATOM 819 CD1 LEU A 47 -12.797 -9.149 -3.124 1.00 0.00 C ATOM 820 CD2 LEU A 47 -13.976 -8.517 -1.010 1.00 0.00 C ATOM 0 H LEU A 47 -12.369 -5.029 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.900 -6.640 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.113 -8.348 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.969 -6.985 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.566 -7.219 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.743 -9.516 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.183 -8.769 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.273 -9.964 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.906 -8.893 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.481 -9.316 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.195 -7.690 -0.334 1.00 0.00 H new ATOM 832 N LEU A 48 -10.277 -7.735 -4.455 1.00 0.00 N ATOM 833 CA LEU A 48 -10.370 -8.168 -5.844 1.00 0.00 C ATOM 834 C LEU A 48 -10.009 -9.644 -5.980 1.00 0.00 C ATOM 835 O LEU A 48 -9.280 -10.194 -5.155 1.00 0.00 O ATOM 836 CB LEU A 48 -9.447 -7.323 -6.725 1.00 0.00 C ATOM 837 CG LEU A 48 -9.548 -5.809 -6.542 1.00 0.00 C ATOM 838 CD1 LEU A 48 -8.617 -5.092 -7.508 1.00 0.00 C ATOM 839 CD2 LEU A 48 -10.984 -5.342 -6.738 1.00 0.00 C ATOM 0 H LEU A 48 -9.475 -8.111 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.401 -8.033 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.417 -7.624 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.658 -7.558 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.243 -5.564 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.702 -4.015 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.589 -5.403 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.892 -5.344 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.037 -4.262 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.316 -5.599 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.628 -5.830 -6.007 1.00 0.00 H new ATOM 851 N GLY A 49 -10.524 -10.280 -7.028 1.00 0.00 N ATOM 852 CA GLY A 49 -10.243 -11.686 -7.254 1.00 0.00 C ATOM 853 C GLY A 49 -10.086 -12.018 -8.724 1.00 0.00 C ATOM 854 O GLY A 49 -11.061 -12.349 -9.401 1.00 0.00 O ATOM 0 H GLY A 49 -11.131 -9.847 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.331 -11.961 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.050 -12.286 -6.833 1.00 0.00 H new ATOM 858 N LYS A 50 -8.858 -11.926 -9.222 1.00 0.00 N ATOM 859 CA LYS A 50 -8.576 -12.218 -10.623 1.00 0.00 C ATOM 860 C LYS A 50 -8.227 -13.691 -10.812 1.00 0.00 C ATOM 861 O LYS A 50 -8.837 -14.386 -11.624 1.00 0.00 O ATOM 862 CB LYS A 50 -7.428 -11.341 -11.127 1.00 0.00 C ATOM 863 CG LYS A 50 -7.480 -11.071 -12.620 1.00 0.00 C ATOM 864 CD LYS A 50 -6.935 -12.243 -13.419 1.00 0.00 C ATOM 865 CE LYS A 50 -7.493 -12.260 -14.834 1.00 0.00 C ATOM 866 NZ LYS A 50 -6.620 -13.027 -15.765 1.00 0.00 N ATOM 0 H LYS A 50 -8.041 -11.651 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.473 -11.999 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.447 -10.391 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.481 -11.823 -10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.509 -10.873 -12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.904 -10.174 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.847 -12.185 -13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.187 -13.176 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.490 -12.700 -14.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.599 -11.237 -15.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.035 -13.015 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.675 -12.593 -15.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.539 -14.010 -15.435 1.00 0.00 H new ATOM 880 N LYS A 51 -7.240 -14.161 -10.056 1.00 0.00 N ATOM 881 CA LYS A 51 -6.810 -15.552 -10.138 1.00 0.00 C ATOM 882 C LYS A 51 -7.027 -16.268 -8.808 1.00 0.00 C ATOM 883 O LYS A 51 -7.669 -17.317 -8.753 1.00 0.00 O ATOM 884 CB LYS A 51 -5.334 -15.629 -10.536 1.00 0.00 C ATOM 885 CG LYS A 51 -5.095 -15.442 -12.024 1.00 0.00 C ATOM 886 CD LYS A 51 -3.612 -15.421 -12.352 1.00 0.00 C ATOM 887 CE LYS A 51 -3.073 -16.823 -12.591 1.00 0.00 C ATOM 888 NZ LYS A 51 -1.592 -16.881 -12.446 1.00 0.00 N ATOM 0 H LYS A 51 -6.723 -13.599 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.412 -16.048 -10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.779 -14.867 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.934 -16.596 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.579 -16.248 -12.575 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.555 -14.510 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.443 -14.809 -13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.064 -14.954 -11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.534 -17.514 -11.886 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.353 -17.154 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.264 -17.853 -12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.150 -16.241 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.326 -16.590 -11.484 1.00 0.00 H new ATOM 902 N LYS A 52 -6.487 -15.695 -7.738 1.00 0.00 N ATOM 903 CA LYS A 52 -6.623 -16.274 -6.407 1.00 0.00 C ATOM 904 C LYS A 52 -7.108 -15.232 -5.405 1.00 0.00 C ATOM 905 O LYS A 52 -8.210 -15.337 -4.867 1.00 0.00 O ATOM 906 CB LYS A 52 -5.287 -16.859 -5.945 1.00 0.00 C ATOM 907 CG LYS A 52 -4.775 -17.982 -6.831 1.00 0.00 C ATOM 908 CD LYS A 52 -3.258 -18.065 -6.804 1.00 0.00 C ATOM 909 CE LYS A 52 -2.624 -16.983 -7.665 1.00 0.00 C ATOM 910 NZ LYS A 52 -2.765 -17.276 -9.117 1.00 0.00 N ATOM 0 H LYS A 52 -5.950 -14.828 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.364 -17.072 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.543 -16.063 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.396 -17.232 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.198 -18.930 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.114 -17.822 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.906 -17.967 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.940 -19.046 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.089 -16.023 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.567 -16.892 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.895 -16.386 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.908 -17.757 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.590 -17.890 -9.269 1.00 0.00 H new ATOM 924 N LYS A 53 -6.277 -14.224 -5.160 1.00 0.00 N ATOM 925 CA LYS A 53 -6.621 -13.159 -4.224 1.00 0.00 C ATOM 926 C LYS A 53 -5.771 -11.917 -4.477 1.00 0.00 C ATOM 927 O LYS A 53 -4.542 -11.982 -4.463 1.00 0.00 O ATOM 928 CB LYS A 53 -6.430 -13.637 -2.783 1.00 0.00 C ATOM 929 CG LYS A 53 -7.012 -12.690 -1.747 1.00 0.00 C ATOM 930 CD LYS A 53 -7.327 -13.413 -0.447 1.00 0.00 C ATOM 931 CE LYS A 53 -8.675 -14.115 -0.513 1.00 0.00 C ATOM 932 NZ LYS A 53 -8.558 -15.487 -1.080 1.00 0.00 N ATOM 0 H LYS A 53 -5.361 -14.122 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.668 -12.898 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.894 -14.617 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.365 -13.764 -2.589 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.306 -11.882 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.920 -12.233 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.545 -14.143 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.327 -12.699 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.105 -14.171 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.361 -13.527 -1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.240 -16.116 -0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.758 -15.459 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.594 -15.845 -0.926 1.00 0.00 H new ATOM 946 N ARG A 54 -6.434 -10.789 -4.706 1.00 0.00 N ATOM 947 CA ARG A 54 -5.740 -9.533 -4.961 1.00 0.00 C ATOM 948 C ARG A 54 -6.229 -8.439 -4.017 1.00 0.00 C ATOM 949 O ARG A 54 -7.387 -8.439 -3.597 1.00 0.00 O ATOM 950 CB ARG A 54 -5.945 -9.098 -6.414 1.00 0.00 C ATOM 951 CG ARG A 54 -5.152 -9.922 -7.415 1.00 0.00 C ATOM 952 CD ARG A 54 -4.807 -9.111 -8.654 1.00 0.00 C ATOM 953 NE ARG A 54 -3.630 -8.271 -8.448 1.00 0.00 N ATOM 954 CZ ARG A 54 -3.092 -7.515 -9.398 1.00 0.00 C ATOM 955 NH1 ARG A 54 -3.622 -7.493 -10.613 1.00 0.00 N ATOM 956 NH2 ARG A 54 -2.021 -6.777 -9.133 1.00 0.00 N ATOM 0 H ARG A 54 -7.451 -10.719 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.676 -9.693 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.005 -9.167 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.662 -8.050 -6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.236 -10.282 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.729 -10.801 -7.703 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.629 -9.786 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.657 -8.484 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.198 -8.265 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.446 -8.058 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.206 -6.911 -11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.611 -6.790 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.608 -6.197 -9.863 1.00 0.00 H new ATOM 970 N LEU A 55 -5.341 -7.508 -3.687 1.00 0.00 N ATOM 971 CA LEU A 55 -5.682 -6.408 -2.792 1.00 0.00 C ATOM 972 C LEU A 55 -5.570 -5.067 -3.509 1.00 0.00 C ATOM 973 O LEU A 55 -4.586 -4.801 -4.199 1.00 0.00 O ATOM 974 CB LEU A 55 -4.767 -6.421 -1.565 1.00 0.00 C ATOM 975 CG LEU A 55 -4.790 -5.162 -0.698 1.00 0.00 C ATOM 976 CD1 LEU A 55 -6.208 -4.854 -0.242 1.00 0.00 C ATOM 977 CD2 LEU A 55 -3.866 -5.322 0.500 1.00 0.00 C ATOM 0 H LEU A 55 -4.379 -7.493 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.715 -6.541 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.040 -7.272 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.744 -6.588 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.433 -4.325 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.205 -3.955 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.844 -4.695 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.593 -5.691 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.895 -4.416 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.193 -6.171 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.847 -5.494 0.153 1.00 0.00 H new ATOM 989 N ARG A 56 -6.584 -4.224 -3.341 1.00 0.00 N ATOM 990 CA ARG A 56 -6.599 -2.911 -3.972 1.00 0.00 C ATOM 991 C ARG A 56 -6.344 -1.811 -2.945 1.00 0.00 C ATOM 992 O ARG A 56 -7.120 -1.633 -2.005 1.00 0.00 O ATOM 993 CB ARG A 56 -7.939 -2.672 -4.669 1.00 0.00 C ATOM 994 CG ARG A 56 -7.995 -1.371 -5.454 1.00 0.00 C ATOM 995 CD ARG A 56 -9.113 -1.390 -6.485 1.00 0.00 C ATOM 996 NE ARG A 56 -9.347 -0.068 -7.061 1.00 0.00 N ATOM 997 CZ ARG A 56 -10.234 0.167 -8.022 1.00 0.00 C ATOM 998 NH1 ARG A 56 -10.966 -0.824 -8.510 1.00 0.00 N ATOM 999 NH2 ARG A 56 -10.390 1.397 -8.496 1.00 0.00 N ATOM 0 H ARG A 56 -7.406 -4.428 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.801 -2.883 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.140 -3.503 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.732 -2.670 -3.921 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.145 -0.537 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.041 -1.205 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.862 -2.093 -7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.030 -1.750 -6.019 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.800 0.717 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.849 -1.770 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.646 -0.640 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.829 2.162 -8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.071 1.577 -9.234 1.00 0.00 H new ATOM 1013 N VAL A 57 -5.252 -1.076 -3.130 1.00 0.00 N ATOM 1014 CA VAL A 57 -4.895 0.006 -2.220 1.00 0.00 C ATOM 1015 C VAL A 57 -5.132 1.367 -2.866 1.00 0.00 C ATOM 1016 O VAL A 57 -4.640 1.641 -3.960 1.00 0.00 O ATOM 1017 CB VAL A 57 -3.423 -0.093 -1.782 1.00 0.00 C ATOM 1018 CG1 VAL A 57 -3.076 1.032 -0.817 1.00 0.00 C ATOM 1019 CG2 VAL A 57 -3.144 -1.449 -1.154 1.00 0.00 C ATOM 0 H VAL A 57 -4.599 -1.210 -3.902 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.534 -0.093 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.792 0.010 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.031 0.946 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.235 1.993 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.713 0.964 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.098 -1.501 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.783 -1.584 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.351 -2.236 -1.880 1.00 0.00 H new ATOM 1029 N ASP A 58 -5.890 2.216 -2.181 1.00 0.00 N ATOM 1030 CA ASP A 58 -6.192 3.551 -2.686 1.00 0.00 C ATOM 1031 C ASP A 58 -5.935 4.608 -1.617 1.00 0.00 C ATOM 1032 O ASP A 58 -6.325 4.445 -0.461 1.00 0.00 O ATOM 1033 CB ASP A 58 -7.646 3.625 -3.155 1.00 0.00 C ATOM 1034 CG ASP A 58 -8.006 2.500 -4.106 1.00 0.00 C ATOM 1035 OD1 ASP A 58 -7.532 1.366 -3.890 1.00 0.00 O ATOM 1036 OD2 ASP A 58 -8.761 2.755 -5.068 1.00 0.00 O ATOM 0 H ASP A 58 -6.307 2.004 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.535 3.749 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.306 3.590 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.818 4.582 -3.648 1.00 0.00 H new ATOM 1041 N LYS A 59 -5.274 5.692 -2.011 1.00 0.00 N ATOM 1042 CA LYS A 59 -4.964 6.776 -1.087 1.00 0.00 C ATOM 1043 C LYS A 59 -5.786 8.020 -1.413 1.00 0.00 C ATOM 1044 O LYS A 59 -6.294 8.165 -2.525 1.00 0.00 O ATOM 1045 CB LYS A 59 -3.472 7.109 -1.142 1.00 0.00 C ATOM 1046 CG LYS A 59 -2.912 7.613 0.177 1.00 0.00 C ATOM 1047 CD LYS A 59 -2.882 9.132 0.226 1.00 0.00 C ATOM 1048 CE LYS A 59 -2.807 9.641 1.657 1.00 0.00 C ATOM 1049 NZ LYS A 59 -1.401 9.765 2.130 1.00 0.00 N ATOM 0 H LYS A 59 -4.943 5.843 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.219 6.446 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.921 6.219 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.305 7.864 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.518 7.233 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.904 7.223 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.024 9.499 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.774 9.531 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.299 10.611 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.352 8.962 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.361 9.577 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.804 9.078 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.055 10.727 1.941 1.00 0.00 H new ATOM 1063 N TRP A 60 -5.909 8.913 -0.438 1.00 0.00 N ATOM 1064 CA TRP A 60 -6.668 10.145 -0.623 1.00 0.00 C ATOM 1065 C TRP A 60 -6.434 10.725 -2.013 1.00 0.00 C ATOM 1066 O TRP A 60 -5.443 11.419 -2.247 1.00 0.00 O ATOM 1067 CB TRP A 60 -6.281 11.171 0.443 1.00 0.00 C ATOM 1068 CG TRP A 60 -6.797 10.832 1.810 1.00 0.00 C ATOM 1069 CD1 TRP A 60 -6.160 10.094 2.765 1.00 0.00 C ATOM 1070 CD2 TRP A 60 -8.057 11.217 2.369 1.00 0.00 C ATOM 1071 NE1 TRP A 60 -6.948 9.996 3.886 1.00 0.00 N ATOM 1072 CE2 TRP A 60 -8.117 10.677 3.669 1.00 0.00 C ATOM 1073 CE3 TRP A 60 -9.139 11.965 1.900 1.00 0.00 C ATOM 1074 CZ2 TRP A 60 -9.217 10.862 4.501 1.00 0.00 C ATOM 1075 CZ3 TRP A 60 -10.231 12.148 2.728 1.00 0.00 C ATOM 1076 CH2 TRP A 60 -10.263 11.599 4.018 1.00 0.00 C ATOM 0 H TRP A 60 -5.494 8.808 0.488 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.727 9.909 -0.522 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.195 11.251 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.663 12.149 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.181 9.652 2.656 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.703 9.497 4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -9.123 12.393 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -9.244 10.438 5.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -11.074 12.724 2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -11.130 11.761 4.642 1.00 0.00 H new ATOM 1087 N TRP A 61 -7.349 10.439 -2.932 1.00 0.00 N ATOM 1088 CA TRP A 61 -7.240 10.933 -4.299 1.00 0.00 C ATOM 1089 C TRP A 61 -6.913 12.422 -4.316 1.00 0.00 C ATOM 1090 O TRP A 61 -7.723 13.250 -3.902 1.00 0.00 O ATOM 1091 CB TRP A 61 -8.542 10.677 -5.061 1.00 0.00 C ATOM 1092 CG TRP A 61 -9.238 9.418 -4.640 1.00 0.00 C ATOM 1093 CD1 TRP A 61 -8.730 8.151 -4.669 1.00 0.00 C ATOM 1094 CD2 TRP A 61 -10.572 9.306 -4.129 1.00 0.00 C ATOM 1095 NE1 TRP A 61 -9.666 7.258 -4.207 1.00 0.00 N ATOM 1096 CE2 TRP A 61 -10.805 7.941 -3.868 1.00 0.00 C ATOM 1097 CE3 TRP A 61 -11.589 10.226 -3.864 1.00 0.00 C ATOM 1098 CZ2 TRP A 61 -12.013 7.477 -3.358 1.00 0.00 C ATOM 1099 CZ3 TRP A 61 -12.789 9.763 -3.358 1.00 0.00 C ATOM 1100 CH2 TRP A 61 -12.993 8.400 -3.108 1.00 0.00 C ATOM 0 H TRP A 61 -8.175 9.867 -2.755 1.00 0.00 H new ATOM 0 HA TRP A 61 -6.428 10.396 -4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.214 11.522 -4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.326 10.625 -6.128 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -7.738 7.889 -5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.535 6.250 -4.129 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -11.441 11.279 -4.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -12.172 6.426 -3.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -13.584 10.465 -3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.942 8.071 -2.710 1.00 0.00 H new ATOM 1111 N GLY A 62 -5.718 12.756 -4.796 1.00 0.00 N ATOM 1112 CA GLY A 62 -5.305 14.146 -4.857 1.00 0.00 C ATOM 1113 C GLY A 62 -3.879 14.305 -5.345 1.00 0.00 C ATOM 1114 O GLY A 62 -3.543 13.879 -6.449 1.00 0.00 O ATOM 0 H GLY A 62 -5.029 12.089 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.976 14.693 -5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.400 14.594 -3.868 1.00 0.00 H new ATOM 1118 N ASN A 63 -3.039 14.924 -4.522 1.00 0.00 N ATOM 1119 CA ASN A 63 -1.641 15.141 -4.878 1.00 0.00 C ATOM 1120 C ASN A 63 -0.950 13.820 -5.200 1.00 0.00 C ATOM 1121 O ASN A 63 -1.576 12.760 -5.183 1.00 0.00 O ATOM 1122 CB ASN A 63 -0.907 15.849 -3.737 1.00 0.00 C ATOM 1123 CG ASN A 63 -1.603 17.125 -3.306 1.00 0.00 C ATOM 1124 OD1 ASN A 63 -2.768 17.107 -2.909 1.00 0.00 O ATOM 1125 ND2 ASN A 63 -0.888 18.242 -3.382 1.00 0.00 N ATOM 0 H ASN A 63 -3.302 15.284 -3.604 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.612 15.771 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.830 15.174 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.110 16.082 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.302 19.132 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.075 18.209 -3.717 1.00 0.00 H new ATOM 1132 N ARG A 64 0.345 13.891 -5.493 1.00 0.00 N ATOM 1133 CA ARG A 64 1.120 12.701 -5.820 1.00 0.00 C ATOM 1134 C ARG A 64 1.629 12.020 -4.553 1.00 0.00 C ATOM 1135 O ARG A 64 2.649 11.329 -4.573 1.00 0.00 O ATOM 1136 CB ARG A 64 2.299 13.068 -6.723 1.00 0.00 C ATOM 1137 CG ARG A 64 1.926 13.193 -8.191 1.00 0.00 C ATOM 1138 CD ARG A 64 2.032 11.856 -8.909 1.00 0.00 C ATOM 1139 NE ARG A 64 1.383 11.885 -10.217 1.00 0.00 N ATOM 1140 CZ ARG A 64 0.070 11.989 -10.384 1.00 0.00 C ATOM 1141 NH1 ARG A 64 -0.731 12.075 -9.330 1.00 0.00 N ATOM 1142 NH2 ARG A 64 -0.446 12.008 -11.606 1.00 0.00 N ATOM 0 H ARG A 64 0.879 14.760 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 64 0.468 12.006 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.726 14.012 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.076 12.311 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.908 13.574 -8.278 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.581 13.919 -8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.083 11.592 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.577 11.078 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 64 1.971 11.822 -11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.338 12.061 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.739 12.155 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.166 11.943 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.455 12.088 -11.732 1.00 0.00 H new ATOM 1156 N LYS A 65 0.913 12.219 -3.452 1.00 0.00 N ATOM 1157 CA LYS A 65 1.291 11.624 -2.176 1.00 0.00 C ATOM 1158 C LYS A 65 0.891 10.152 -2.121 1.00 0.00 C ATOM 1159 O LYS A 65 1.541 9.348 -1.454 1.00 0.00 O ATOM 1160 CB LYS A 65 0.635 12.383 -1.021 1.00 0.00 C ATOM 1161 CG LYS A 65 -0.882 12.301 -1.022 1.00 0.00 C ATOM 1162 CD LYS A 65 -1.504 13.459 -0.260 1.00 0.00 C ATOM 1163 CE LYS A 65 -2.952 13.683 -0.671 1.00 0.00 C ATOM 1164 NZ LYS A 65 -3.620 14.703 0.185 1.00 0.00 N ATOM 0 H LYS A 65 0.067 12.788 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 65 2.375 11.693 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.011 11.987 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.934 13.430 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.247 12.303 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.197 11.359 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.455 13.260 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.928 14.367 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.989 14.003 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.498 12.742 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.604 14.827 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.608 14.387 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.115 15.608 0.104 1.00 0.00 H new ATOM 1178 N GLU A 66 -0.181 9.808 -2.829 1.00 0.00 N ATOM 1179 CA GLU A 66 -0.665 8.433 -2.862 1.00 0.00 C ATOM 1180 C GLU A 66 0.427 7.483 -3.342 1.00 0.00 C ATOM 1181 O GLU A 66 0.530 6.349 -2.873 1.00 0.00 O ATOM 1182 CB GLU A 66 -1.891 8.322 -3.771 1.00 0.00 C ATOM 1183 CG GLU A 66 -1.596 8.633 -5.230 1.00 0.00 C ATOM 1184 CD GLU A 66 -0.958 7.465 -5.957 1.00 0.00 C ATOM 1185 OE1 GLU A 66 -1.327 6.310 -5.664 1.00 0.00 O ATOM 1186 OE2 GLU A 66 -0.087 7.709 -6.819 1.00 0.00 O ATOM 0 H GLU A 66 -0.730 10.462 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.947 8.150 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.297 7.313 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.662 9.003 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.523 8.908 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.934 9.497 -5.287 1.00 0.00 H new ATOM 1193 N LEU A 67 1.240 7.953 -4.282 1.00 0.00 N ATOM 1194 CA LEU A 67 2.325 7.145 -4.828 1.00 0.00 C ATOM 1195 C LEU A 67 3.238 6.636 -3.717 1.00 0.00 C ATOM 1196 O LEU A 67 3.547 5.447 -3.650 1.00 0.00 O ATOM 1197 CB LEU A 67 3.137 7.961 -5.837 1.00 0.00 C ATOM 1198 CG LEU A 67 4.503 7.389 -6.218 1.00 0.00 C ATOM 1199 CD1 LEU A 67 4.878 7.802 -7.633 1.00 0.00 C ATOM 1200 CD2 LEU A 67 5.565 7.843 -5.228 1.00 0.00 C ATOM 0 H LEU A 67 1.168 8.889 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 67 1.885 6.285 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.545 8.071 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.285 8.961 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 67 4.444 6.301 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.853 7.386 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.130 7.427 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.920 8.889 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.531 7.427 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.624 8.931 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.302 7.497 -4.228 1.00 0.00 H new ATOM 1212 N ALA A 68 3.664 7.545 -2.846 1.00 0.00 N ATOM 1213 CA ALA A 68 4.537 7.187 -1.735 1.00 0.00 C ATOM 1214 C ALA A 68 3.823 6.268 -0.749 1.00 0.00 C ATOM 1215 O ALA A 68 4.395 5.289 -0.270 1.00 0.00 O ATOM 1216 CB ALA A 68 5.032 8.440 -1.028 1.00 0.00 C ATOM 0 H ALA A 68 3.419 8.534 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 68 5.394 6.648 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.683 8.158 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.588 9.059 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.180 9.002 -0.644 1.00 0.00 H new ATOM 1222 N THR A 69 2.569 6.592 -0.448 1.00 0.00 N ATOM 1223 CA THR A 69 1.778 5.797 0.483 1.00 0.00 C ATOM 1224 C THR A 69 1.587 4.375 -0.033 1.00 0.00 C ATOM 1225 O THR A 69 1.660 3.412 0.730 1.00 0.00 O ATOM 1226 CB THR A 69 0.396 6.432 0.729 1.00 0.00 C ATOM 1227 OG1 THR A 69 0.513 7.858 0.776 1.00 0.00 O ATOM 1228 CG2 THR A 69 -0.208 5.924 2.030 1.00 0.00 C ATOM 0 H THR A 69 2.080 7.399 -0.835 1.00 0.00 H new ATOM 0 HA THR A 69 2.329 5.768 1.423 1.00 0.00 H new ATOM 0 HB THR A 69 -0.261 6.149 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.984 8.121 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.183 6.386 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.323 4.841 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.449 6.181 2.861 1.00 0.00 H new ATOM 1236 N VAL A 70 1.342 4.250 -1.333 1.00 0.00 N ATOM 1237 CA VAL A 70 1.142 2.945 -1.951 1.00 0.00 C ATOM 1238 C VAL A 70 2.404 2.095 -1.860 1.00 0.00 C ATOM 1239 O VAL A 70 2.342 0.901 -1.563 1.00 0.00 O ATOM 1240 CB VAL A 70 0.734 3.081 -3.431 1.00 0.00 C ATOM 1241 CG1 VAL A 70 0.918 1.758 -4.160 1.00 0.00 C ATOM 1242 CG2 VAL A 70 -0.705 3.565 -3.543 1.00 0.00 C ATOM 0 H VAL A 70 1.277 5.037 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 70 0.337 2.455 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 70 1.381 3.821 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.625 1.874 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.964 1.457 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.297 0.995 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.978 3.656 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.368 2.850 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.801 4.537 -3.058 1.00 0.00 H new ATOM 1252 N ARG A 71 3.550 2.716 -2.119 1.00 0.00 N ATOM 1253 CA ARG A 71 4.828 2.017 -2.067 1.00 0.00 C ATOM 1254 C ARG A 71 5.106 1.496 -0.659 1.00 0.00 C ATOM 1255 O ARG A 71 5.665 0.413 -0.485 1.00 0.00 O ATOM 1256 CB ARG A 71 5.960 2.944 -2.512 1.00 0.00 C ATOM 1257 CG ARG A 71 6.188 2.948 -4.014 1.00 0.00 C ATOM 1258 CD ARG A 71 7.444 3.723 -4.385 1.00 0.00 C ATOM 1259 NE ARG A 71 8.632 3.185 -3.730 1.00 0.00 N ATOM 1260 CZ ARG A 71 9.866 3.606 -3.984 1.00 0.00 C ATOM 1261 NH1 ARG A 71 10.072 4.566 -4.876 1.00 0.00 N ATOM 1262 NH2 ARG A 71 10.897 3.067 -3.347 1.00 0.00 N ATOM 0 H ARG A 71 3.619 3.703 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 71 4.776 1.167 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.737 3.959 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.882 2.643 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.273 1.922 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.326 3.390 -4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.582 3.694 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.319 4.770 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 71 8.508 2.445 -3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.282 4.983 -5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.020 4.888 -5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.743 2.328 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.844 3.391 -3.543 1.00 0.00 H new ATOM 1276 N THR A 72 4.713 2.277 0.343 1.00 0.00 N ATOM 1277 CA THR A 72 4.921 1.897 1.734 1.00 0.00 C ATOM 1278 C THR A 72 4.024 0.728 2.125 1.00 0.00 C ATOM 1279 O THR A 72 4.494 -0.272 2.668 1.00 0.00 O ATOM 1280 CB THR A 72 4.651 3.077 2.686 1.00 0.00 C ATOM 1281 OG1 THR A 72 5.407 4.221 2.275 1.00 0.00 O ATOM 1282 CG2 THR A 72 5.011 2.712 4.117 1.00 0.00 C ATOM 0 H THR A 72 4.249 3.176 0.216 1.00 0.00 H new ATOM 0 HA THR A 72 5.965 1.597 1.826 1.00 0.00 H new ATOM 0 HB THR A 72 3.587 3.311 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.054 4.558 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.812 3.561 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.412 1.860 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.068 2.453 4.171 1.00 0.00 H new ATOM 1290 N ILE A 73 2.733 0.860 1.845 1.00 0.00 N ATOM 1291 CA ILE A 73 1.770 -0.186 2.166 1.00 0.00 C ATOM 1292 C ILE A 73 2.051 -1.455 1.367 1.00 0.00 C ATOM 1293 O ILE A 73 2.084 -2.554 1.921 1.00 0.00 O ATOM 1294 CB ILE A 73 0.325 0.273 1.889 1.00 0.00 C ATOM 1295 CG1 ILE A 73 -0.014 1.501 2.735 1.00 0.00 C ATOM 1296 CG2 ILE A 73 -0.653 -0.859 2.170 1.00 0.00 C ATOM 1297 CD1 ILE A 73 -1.470 1.902 2.660 1.00 0.00 C ATOM 0 H ILE A 73 2.329 1.682 1.396 1.00 0.00 H new ATOM 0 HA ILE A 73 1.877 -0.398 3.230 1.00 0.00 H new ATOM 0 HB ILE A 73 0.241 0.546 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.246 1.299 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.603 2.339 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.669 -0.520 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.421 -1.708 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.570 -1.161 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.638 2.780 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.730 2.135 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.092 1.080 3.014 1.00 0.00 H new ATOM 1309 N CYS A 74 2.255 -1.294 0.065 1.00 0.00 N ATOM 1310 CA CYS A 74 2.534 -2.427 -0.810 1.00 0.00 C ATOM 1311 C CYS A 74 3.770 -3.187 -0.339 1.00 0.00 C ATOM 1312 O CYS A 74 3.795 -4.417 -0.349 1.00 0.00 O ATOM 1313 CB CYS A 74 2.734 -1.949 -2.249 1.00 0.00 C ATOM 1314 SG CYS A 74 1.197 -1.746 -3.180 1.00 0.00 S ATOM 0 H CYS A 74 2.233 -0.391 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 74 1.679 -3.102 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.265 -0.997 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.372 -2.662 -2.772 1.00 0.00 H new ATOM 0 HG CYS A 74 1.469 -1.337 -4.384 1.00 0.00 H new ATOM 1320 N SER A 75 4.793 -2.445 0.074 1.00 0.00 N ATOM 1321 CA SER A 75 6.034 -3.048 0.544 1.00 0.00 C ATOM 1322 C SER A 75 5.791 -3.881 1.800 1.00 0.00 C ATOM 1323 O SER A 75 6.331 -4.979 1.945 1.00 0.00 O ATOM 1324 CB SER A 75 7.076 -1.965 0.830 1.00 0.00 C ATOM 1325 OG SER A 75 8.271 -2.531 1.340 1.00 0.00 O ATOM 0 H SER A 75 4.786 -1.425 0.092 1.00 0.00 H new ATOM 0 HA SER A 75 6.410 -3.705 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.292 -1.413 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.674 -1.249 1.547 1.00 0.00 H new ATOM 0 HG SER A 75 8.922 -1.819 1.513 1.00 0.00 H new ATOM 1331 N HIS A 76 4.975 -3.350 2.705 1.00 0.00 N ATOM 1332 CA HIS A 76 4.659 -4.044 3.949 1.00 0.00 C ATOM 1333 C HIS A 76 3.974 -5.378 3.669 1.00 0.00 C ATOM 1334 O HIS A 76 4.354 -6.410 4.222 1.00 0.00 O ATOM 1335 CB HIS A 76 3.764 -3.172 4.830 1.00 0.00 C ATOM 1336 CG HIS A 76 4.494 -2.049 5.501 1.00 0.00 C ATOM 1337 ND1 HIS A 76 5.691 -2.220 6.164 1.00 0.00 N ATOM 1338 CD2 HIS A 76 4.189 -0.735 5.608 1.00 0.00 C ATOM 1339 CE1 HIS A 76 6.091 -1.059 6.651 1.00 0.00 C ATOM 1340 NE2 HIS A 76 5.198 -0.141 6.327 1.00 0.00 N ATOM 0 H HIS A 76 4.521 -2.443 2.601 1.00 0.00 H new ATOM 0 HA HIS A 76 5.594 -4.240 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.960 -2.759 4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.298 -3.797 5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.316 -0.245 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.995 -0.889 7.218 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.249 0.848 6.571 1.00 0.00 H new ATOM 1348 N VAL A 77 2.962 -5.349 2.807 1.00 0.00 N ATOM 1349 CA VAL A 77 2.224 -6.555 2.453 1.00 0.00 C ATOM 1350 C VAL A 77 3.112 -7.542 1.704 1.00 0.00 C ATOM 1351 O VAL A 77 3.148 -8.729 2.028 1.00 0.00 O ATOM 1352 CB VAL A 77 0.995 -6.227 1.586 1.00 0.00 C ATOM 1353 CG1 VAL A 77 0.220 -7.493 1.257 1.00 0.00 C ATOM 1354 CG2 VAL A 77 0.103 -5.214 2.288 1.00 0.00 C ATOM 0 H VAL A 77 2.635 -4.503 2.341 1.00 0.00 H new ATOM 0 HA VAL A 77 1.890 -7.007 3.387 1.00 0.00 H new ATOM 0 HB VAL A 77 1.340 -5.787 0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.645 -7.241 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.864 -8.182 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.115 -7.965 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.761 -4.994 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.235 -5.624 3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.665 -4.297 2.467 1.00 0.00 H new ATOM 1364 N GLN A 78 3.828 -7.043 0.701 1.00 0.00 N ATOM 1365 CA GLN A 78 4.716 -7.882 -0.094 1.00 0.00 C ATOM 1366 C GLN A 78 5.804 -8.502 0.776 1.00 0.00 C ATOM 1367 O GLN A 78 6.165 -9.665 0.602 1.00 0.00 O ATOM 1368 CB GLN A 78 5.351 -7.064 -1.221 1.00 0.00 C ATOM 1369 CG GLN A 78 4.367 -6.656 -2.305 1.00 0.00 C ATOM 1370 CD GLN A 78 3.914 -7.826 -3.154 1.00 0.00 C ATOM 1371 OE1 GLN A 78 4.595 -8.221 -4.102 1.00 0.00 O ATOM 1372 NE2 GLN A 78 2.760 -8.391 -2.818 1.00 0.00 N ATOM 0 H GLN A 78 3.810 -6.063 0.420 1.00 0.00 H new ATOM 0 HA GLN A 78 4.122 -8.686 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.804 -6.168 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.155 -7.645 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.497 -6.189 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.829 -5.905 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.228 -8.032 -2.025 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.406 -9.184 -3.353 1.00 0.00 H new ATOM 1381 N ASN A 79 6.324 -7.716 1.713 1.00 0.00 N ATOM 1382 CA ASN A 79 7.373 -8.187 2.611 1.00 0.00 C ATOM 1383 C ASN A 79 6.852 -9.294 3.521 1.00 0.00 C ATOM 1384 O ASN A 79 7.577 -10.232 3.853 1.00 0.00 O ATOM 1385 CB ASN A 79 7.910 -7.029 3.454 1.00 0.00 C ATOM 1386 CG ASN A 79 8.847 -7.498 4.550 1.00 0.00 C ATOM 1387 OD1 ASN A 79 8.449 -8.243 5.446 1.00 0.00 O ATOM 1388 ND2 ASN A 79 10.100 -7.062 4.483 1.00 0.00 N ATOM 0 H ASN A 79 6.036 -6.750 1.870 1.00 0.00 H new ATOM 0 HA ASN A 79 8.183 -8.591 2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.435 -6.325 2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.074 -6.490 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.777 -7.344 5.192 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.386 -6.446 3.722 1.00 0.00 H new ATOM 1395 N MET A 80 5.590 -9.180 3.922 1.00 0.00 N ATOM 1396 CA MET A 80 4.971 -10.172 4.793 1.00 0.00 C ATOM 1397 C MET A 80 4.862 -11.520 4.088 1.00 0.00 C ATOM 1398 O MET A 80 5.185 -12.560 4.665 1.00 0.00 O ATOM 1399 CB MET A 80 3.585 -9.700 5.235 1.00 0.00 C ATOM 1400 CG MET A 80 3.623 -8.560 6.239 1.00 0.00 C ATOM 1401 SD MET A 80 2.049 -7.688 6.360 1.00 0.00 S ATOM 1402 CE MET A 80 1.250 -8.612 7.671 1.00 0.00 C ATOM 0 H MET A 80 4.976 -8.410 3.657 1.00 0.00 H new ATOM 0 HA MET A 80 5.603 -10.292 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.022 -9.382 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.046 -10.541 5.672 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.892 -8.953 7.219 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.403 -7.855 5.953 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.243 -8.226 7.826 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.196 -9.665 7.394 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.824 -8.508 8.592 1.00 0.00 H new ATOM 1412 N ILE A 81 4.405 -11.496 2.840 1.00 0.00 N ATOM 1413 CA ILE A 81 4.254 -12.717 2.059 1.00 0.00 C ATOM 1414 C ILE A 81 5.598 -13.409 1.855 1.00 0.00 C ATOM 1415 O ILE A 81 5.743 -14.600 2.128 1.00 0.00 O ATOM 1416 CB ILE A 81 3.624 -12.430 0.683 1.00 0.00 C ATOM 1417 CG1 ILE A 81 2.282 -11.716 0.852 1.00 0.00 C ATOM 1418 CG2 ILE A 81 3.448 -13.722 -0.099 1.00 0.00 C ATOM 1419 CD1 ILE A 81 1.819 -10.996 -0.395 1.00 0.00 C ATOM 0 H ILE A 81 4.133 -10.644 2.349 1.00 0.00 H new ATOM 0 HA ILE A 81 3.592 -13.373 2.624 1.00 0.00 H new ATOM 0 HB ILE A 81 4.293 -11.778 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.526 -12.445 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.362 -10.998 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.002 -13.502 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.420 -14.194 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.796 -14.397 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.861 -10.513 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.555 -10.243 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.706 -11.713 -1.208 1.00 0.00 H new ATOM 1431 N LYS A 82 6.580 -12.653 1.376 1.00 0.00 N ATOM 1432 CA LYS A 82 7.915 -13.191 1.139 1.00 0.00 C ATOM 1433 C LYS A 82 8.513 -13.750 2.426 1.00 0.00 C ATOM 1434 O LYS A 82 9.251 -14.734 2.403 1.00 0.00 O ATOM 1435 CB LYS A 82 8.830 -12.106 0.567 1.00 0.00 C ATOM 1436 CG LYS A 82 10.297 -12.306 0.908 1.00 0.00 C ATOM 1437 CD LYS A 82 11.200 -11.533 -0.038 1.00 0.00 C ATOM 1438 CE LYS A 82 11.252 -12.181 -1.412 1.00 0.00 C ATOM 1439 NZ LYS A 82 11.502 -11.181 -2.488 1.00 0.00 N ATOM 0 H LYS A 82 6.477 -11.665 1.144 1.00 0.00 H new ATOM 0 HA LYS A 82 7.830 -14.003 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.718 -12.082 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.507 -11.135 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.481 -11.983 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.541 -13.367 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.839 -10.509 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.206 -11.480 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.038 -12.936 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.311 -12.696 -1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.530 -11.662 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.739 -10.475 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.412 -10.707 -2.317 1.00 0.00 H new ATOM 1453 N GLY A 83 8.188 -13.116 3.549 1.00 0.00 N ATOM 1454 CA GLY A 83 8.701 -13.565 4.830 1.00 0.00 C ATOM 1455 C GLY A 83 8.045 -14.849 5.298 1.00 0.00 C ATOM 1456 O GLY A 83 8.699 -15.708 5.891 1.00 0.00 O ATOM 0 H GLY A 83 7.578 -12.299 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.778 -13.717 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.541 -12.786 5.575 1.00 0.00 H new ATOM 1460 N VAL A 84 6.749 -14.981 5.035 1.00 0.00 N ATOM 1461 CA VAL A 84 6.005 -16.169 5.434 1.00 0.00 C ATOM 1462 C VAL A 84 6.113 -17.266 4.380 1.00 0.00 C ATOM 1463 O VAL A 84 5.647 -18.388 4.585 1.00 0.00 O ATOM 1464 CB VAL A 84 4.518 -15.846 5.672 1.00 0.00 C ATOM 1465 CG1 VAL A 84 4.372 -14.694 6.654 1.00 0.00 C ATOM 1466 CG2 VAL A 84 3.825 -15.526 4.356 1.00 0.00 C ATOM 0 H VAL A 84 6.192 -14.279 4.547 1.00 0.00 H new ATOM 0 HA VAL A 84 6.447 -16.521 6.366 1.00 0.00 H new ATOM 0 HB VAL A 84 4.039 -16.724 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.315 -14.480 6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.831 -14.966 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.866 -13.809 6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.775 -15.300 4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.305 -14.664 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.898 -16.384 3.688 1.00 0.00 H new ATOM 1476 N THR A 85 6.732 -16.935 3.251 1.00 0.00 N ATOM 1477 CA THR A 85 6.900 -17.890 2.163 1.00 0.00 C ATOM 1478 C THR A 85 8.372 -18.229 1.954 1.00 0.00 C ATOM 1479 O THR A 85 8.705 -19.259 1.365 1.00 0.00 O ATOM 1480 CB THR A 85 6.317 -17.350 0.844 1.00 0.00 C ATOM 1481 OG1 THR A 85 6.938 -16.105 0.508 1.00 0.00 O ATOM 1482 CG2 THR A 85 4.812 -17.157 0.958 1.00 0.00 C ATOM 0 H THR A 85 7.125 -16.012 3.066 1.00 0.00 H new ATOM 0 HA THR A 85 6.358 -18.792 2.447 1.00 0.00 H new ATOM 0 HB THR A 85 6.516 -18.079 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.689 -15.426 1.170 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.422 -16.775 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.339 -18.112 1.186 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.596 -16.445 1.755 1.00 0.00 H new ATOM 1490 N LEU A 86 9.249 -17.358 2.438 1.00 0.00 N ATOM 1491 CA LEU A 86 10.687 -17.565 2.304 1.00 0.00 C ATOM 1492 C LEU A 86 11.401 -17.303 3.626 1.00 0.00 C ATOM 1493 O LEU A 86 11.381 -16.187 4.144 1.00 0.00 O ATOM 1494 CB LEU A 86 11.255 -16.653 1.215 1.00 0.00 C ATOM 1495 CG LEU A 86 10.409 -16.513 -0.051 1.00 0.00 C ATOM 1496 CD1 LEU A 86 10.950 -15.399 -0.933 1.00 0.00 C ATOM 1497 CD2 LEU A 86 10.370 -17.829 -0.815 1.00 0.00 C ATOM 0 H LEU A 86 8.990 -16.501 2.927 1.00 0.00 H new ATOM 0 HA LEU A 86 10.854 -18.605 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.403 -15.661 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.238 -17.028 0.931 1.00 0.00 H new ATOM 0 HG LEU A 86 9.391 -16.256 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.336 -15.314 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.926 -14.457 -0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.977 -15.627 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.764 -17.711 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.383 -18.116 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.935 -18.604 -0.183 1.00 0.00 H new