USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 676 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 78 ASN : amide:sc= -1.15 K(o=-0.99,f=-3!) USER MOD Set 1.2: A 80 GLN : amide:sc= 0.163 K(o=-0.99,f=-3) USER MOD Set 2.1: A 62 ASN : amide:sc= -6.77! C(o=-7!,f=-13!) USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.221 K(o=-7,f=-6.5) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.3!) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.39 (180deg=-1.85!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -24:sc= 0.117 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 34:sc= 1.06 USER MOD Single : A 57 SER OG : rot 117:sc= 1.05 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.52) USER MOD Single : A 66 GLN : amide:sc= -3.68 K(o=-3.7,f=-6.3!) USER MOD Single : A 68 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-0.6) USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= -0.133 (180deg=-0.362) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 85 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.4!) USER MOD Single : A 93 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 96 GLN : amide:sc= 0.379 X(o=0.38,f=-0.051) USER MOD Single : A 99 HIS : no HE2:sc= -2.33! C(o=-2.3!,f=-3.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.920 -1.843 -14.988 1.00 0.00 N ATOM 119 CA LEU A 13 -9.440 -1.006 -13.911 1.00 0.00 C ATOM 120 C LEU A 13 -8.318 -0.210 -13.251 1.00 0.00 C ATOM 121 O LEU A 13 -8.551 0.858 -12.686 1.00 0.00 O ATOM 122 CB LEU A 13 -10.152 -1.868 -12.867 1.00 0.00 C ATOM 123 CG LEU A 13 -11.158 -2.884 -13.409 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.993 -3.464 -12.278 1.00 0.00 C ATOM 125 CD2 LEU A 13 -12.053 -2.241 -14.459 1.00 0.00 C ATOM 0 HA LEU A 13 -10.154 -0.304 -14.341 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.397 -2.405 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.671 -1.208 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.606 -3.697 -13.880 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.703 -4.185 -12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.339 -3.962 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.536 -2.662 -11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.763 -2.979 -14.834 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.597 -1.408 -14.013 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.441 -1.875 -15.284 1.00 0.00 H new ATOM 137 N PHE A 14 -7.101 -0.737 -13.329 1.00 0.00 N ATOM 138 CA PHE A 14 -5.943 -0.075 -12.739 1.00 0.00 C ATOM 139 C PHE A 14 -5.037 0.502 -13.823 1.00 0.00 C ATOM 140 O PHE A 14 -4.995 -0.001 -14.945 1.00 0.00 O ATOM 141 CB PHE A 14 -5.155 -1.058 -11.870 1.00 0.00 C ATOM 142 CG PHE A 14 -6.009 -1.813 -10.893 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.746 -2.912 -11.303 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.076 -1.424 -9.565 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.534 -3.608 -10.406 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.862 -2.116 -8.663 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.591 -3.211 -9.084 1.00 0.00 C ATOM 0 H PHE A 14 -6.891 -1.620 -13.795 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.302 0.744 -12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.640 -1.769 -12.516 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.387 -0.511 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.704 -3.228 -12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.507 -0.569 -9.230 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.105 -4.462 -10.738 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.906 -1.801 -7.631 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.204 -3.756 -8.381 1.00 0.00 H new ATOM 157 N GLU A 15 -4.314 1.563 -13.478 1.00 0.00 N ATOM 158 CA GLU A 15 -3.410 2.211 -14.422 1.00 0.00 C ATOM 159 C GLU A 15 -2.000 2.306 -13.846 1.00 0.00 C ATOM 160 O GLU A 15 -1.816 2.607 -12.667 1.00 0.00 O ATOM 161 CB GLU A 15 -3.923 3.608 -14.777 1.00 0.00 C ATOM 162 CG GLU A 15 -4.028 4.540 -13.582 1.00 0.00 C ATOM 163 CD GLU A 15 -2.741 5.294 -13.315 1.00 0.00 C ATOM 164 OE1 GLU A 15 -2.034 5.624 -14.290 1.00 0.00 O ATOM 165 OE2 GLU A 15 -2.439 5.554 -12.131 1.00 0.00 O ATOM 0 H GLU A 15 -4.336 1.992 -12.553 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.375 1.604 -15.327 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.257 4.053 -15.517 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.904 3.518 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.834 5.254 -13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.296 3.962 -12.698 1.00 0.00 H new ATOM 172 N THR A 16 -1.005 2.046 -14.689 1.00 0.00 N ATOM 173 CA THR A 16 0.389 2.100 -14.265 1.00 0.00 C ATOM 174 C THR A 16 1.045 3.406 -14.697 1.00 0.00 C ATOM 175 O THR A 16 0.724 3.954 -15.753 1.00 0.00 O ATOM 176 CB THR A 16 1.196 0.920 -14.838 1.00 0.00 C ATOM 177 OG1 THR A 16 0.539 -0.316 -14.537 1.00 0.00 O ATOM 178 CG2 THR A 16 2.607 0.902 -14.269 1.00 0.00 C ATOM 0 H THR A 16 -1.139 1.796 -15.669 1.00 0.00 H new ATOM 0 HA THR A 16 0.391 2.038 -13.177 1.00 0.00 H new ATOM 0 HB THR A 16 1.259 1.043 -15.919 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.058 -1.061 -14.906 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.158 0.060 -14.688 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.115 1.832 -14.526 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.561 0.801 -13.185 1.00 0.00 H new ATOM 186 N TYR A 17 1.963 3.901 -13.876 1.00 0.00 N ATOM 187 CA TYR A 17 2.663 5.146 -14.172 1.00 0.00 C ATOM 188 C TYR A 17 4.066 5.138 -13.573 1.00 0.00 C ATOM 189 O TYR A 17 4.326 4.456 -12.583 1.00 0.00 O ATOM 190 CB TYR A 17 1.874 6.340 -13.634 1.00 0.00 C ATOM 191 CG TYR A 17 1.487 6.204 -12.178 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.487 5.324 -11.784 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.121 6.957 -11.198 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.130 5.197 -10.456 1.00 0.00 C ATOM 195 CE2 TYR A 17 1.772 6.835 -9.867 1.00 0.00 C ATOM 196 CZ TYR A 17 0.776 5.954 -9.501 1.00 0.00 C ATOM 197 OH TYR A 17 0.424 5.832 -8.176 1.00 0.00 O ATOM 0 H TYR A 17 2.241 3.460 -12.999 1.00 0.00 H new ATOM 0 HA TYR A 17 2.750 5.235 -15.255 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.469 7.245 -13.760 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.971 6.467 -14.231 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.020 4.729 -12.529 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.900 7.649 -11.481 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.651 4.509 -10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.276 7.426 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 17 0.976 6.434 -7.634 1.00 0.00 H new ATOM 207 N ASN A 18 4.967 5.902 -14.182 1.00 0.00 N ATOM 208 CA ASN A 18 6.344 5.984 -13.710 1.00 0.00 C ATOM 209 C ASN A 18 6.584 7.288 -12.955 1.00 0.00 C ATOM 210 O ASN A 18 6.225 8.367 -13.428 1.00 0.00 O ATOM 211 CB ASN A 18 7.316 5.878 -14.887 1.00 0.00 C ATOM 212 CG ASN A 18 7.663 4.440 -15.222 1.00 0.00 C ATOM 213 OD1 ASN A 18 8.836 4.071 -15.284 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.641 3.620 -15.440 1.00 0.00 N ATOM 0 H ASN A 18 4.768 6.473 -15.003 1.00 0.00 H new ATOM 0 HA ASN A 18 6.517 5.152 -13.027 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.876 6.356 -15.762 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.229 6.424 -14.651 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.813 2.641 -15.669 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.685 3.969 -15.378 1.00 0.00 H new ATOM 221 N VAL A 19 7.193 7.181 -11.778 1.00 0.00 N ATOM 222 CA VAL A 19 7.482 8.352 -10.958 1.00 0.00 C ATOM 223 C VAL A 19 8.984 8.544 -10.785 1.00 0.00 C ATOM 224 O VAL A 19 9.655 7.729 -10.151 1.00 0.00 O ATOM 225 CB VAL A 19 6.826 8.239 -9.569 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.574 9.620 -8.984 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.534 7.442 -9.653 1.00 0.00 C ATOM 0 H VAL A 19 7.496 6.296 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 19 7.066 9.215 -11.479 1.00 0.00 H new ATOM 0 HB VAL A 19 7.509 7.709 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.110 9.520 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.520 10.152 -8.886 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.911 10.179 -9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.084 7.372 -8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.842 7.941 -10.331 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.748 6.440 -10.026 1.00 0.00 H new ATOM 237 N GLU A 20 9.506 9.626 -11.353 1.00 0.00 N ATOM 238 CA GLU A 20 10.931 9.925 -11.262 1.00 0.00 C ATOM 239 C GLU A 20 11.244 10.694 -9.981 1.00 0.00 C ATOM 240 O GLU A 20 10.843 11.848 -9.823 1.00 0.00 O ATOM 241 CB GLU A 20 11.384 10.733 -12.479 1.00 0.00 C ATOM 242 CG GLU A 20 12.894 10.803 -12.635 1.00 0.00 C ATOM 243 CD GLU A 20 13.330 11.866 -13.625 1.00 0.00 C ATOM 244 OE1 GLU A 20 13.382 13.052 -13.236 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.618 11.513 -14.787 1.00 0.00 O ATOM 0 H GLU A 20 8.964 10.310 -11.881 1.00 0.00 H new ATOM 0 HA GLU A 20 11.474 8.980 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.954 10.292 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.988 11.745 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.347 11.008 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.267 9.832 -12.962 1.00 0.00 H new ATOM 252 N LEU A 21 11.962 10.047 -9.071 1.00 0.00 N ATOM 253 CA LEU A 21 12.330 10.668 -7.803 1.00 0.00 C ATOM 254 C LEU A 21 13.720 11.292 -7.885 1.00 0.00 C ATOM 255 O LEU A 21 14.582 10.817 -8.624 1.00 0.00 O ATOM 256 CB LEU A 21 12.288 9.636 -6.675 1.00 0.00 C ATOM 257 CG LEU A 21 10.910 9.064 -6.340 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.014 8.045 -5.216 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.946 10.180 -5.963 1.00 0.00 C ATOM 0 H LEU A 21 12.301 9.092 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 21 11.609 11.458 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.947 8.810 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.698 10.094 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 21 10.522 8.560 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.024 7.649 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.670 7.230 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.423 8.525 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.971 9.754 -5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.329 10.713 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.847 10.873 -6.798 1.00 0.00 H new ATOM 271 N VAL A 22 13.931 12.358 -7.120 1.00 0.00 N ATOM 272 CA VAL A 22 15.217 13.045 -7.103 1.00 0.00 C ATOM 273 C VAL A 22 15.935 12.835 -5.775 1.00 0.00 C ATOM 274 O VAL A 22 15.401 13.151 -4.712 1.00 0.00 O ATOM 275 CB VAL A 22 15.049 14.556 -7.350 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.562 15.252 -6.089 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.357 15.165 -7.833 1.00 0.00 C ATOM 0 H VAL A 22 13.228 12.765 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 22 15.815 12.617 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 22 14.299 14.698 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.449 16.319 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.601 14.834 -5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.287 15.103 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.220 16.233 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.129 15.013 -7.079 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.660 14.686 -8.764 1.00 0.00 H new ATOM 287 N ARG A 23 17.149 12.298 -5.844 1.00 0.00 N ATOM 288 CA ARG A 23 17.941 12.045 -4.647 1.00 0.00 C ATOM 289 C ARG A 23 18.852 13.229 -4.336 1.00 0.00 C ATOM 290 O ARG A 23 19.973 13.314 -4.838 1.00 0.00 O ATOM 291 CB ARG A 23 18.779 10.777 -4.823 1.00 0.00 C ATOM 292 CG ARG A 23 17.967 9.565 -5.251 1.00 0.00 C ATOM 293 CD ARG A 23 17.515 8.746 -4.052 1.00 0.00 C ATOM 294 NE ARG A 23 18.635 8.092 -3.382 1.00 0.00 N ATOM 295 CZ ARG A 23 18.512 6.992 -2.647 1.00 0.00 C ATOM 296 NH1 ARG A 23 17.323 6.427 -2.489 1.00 0.00 N ATOM 297 NH2 ARG A 23 19.578 6.456 -2.068 1.00 0.00 N ATOM 0 H ARG A 23 17.605 12.030 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 23 17.255 11.907 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.555 10.965 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.284 10.552 -3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 23 17.096 9.891 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 23 18.565 8.941 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.998 9.394 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.797 7.993 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 23 19.563 8.502 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.501 6.837 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.231 5.583 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.494 6.888 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.482 5.612 -1.504 1.00 0.00 H new ATOM 311 N LYS A 24 18.361 14.143 -3.505 1.00 0.00 N ATOM 312 CA LYS A 24 19.129 15.323 -3.126 1.00 0.00 C ATOM 313 C LYS A 24 20.493 14.929 -2.568 1.00 0.00 C ATOM 314 O LYS A 24 20.712 13.777 -2.195 1.00 0.00 O ATOM 315 CB LYS A 24 18.361 16.146 -2.089 1.00 0.00 C ATOM 316 CG LYS A 24 17.379 17.130 -2.700 1.00 0.00 C ATOM 317 CD LYS A 24 18.083 18.377 -3.210 1.00 0.00 C ATOM 318 CE LYS A 24 18.293 19.392 -2.097 1.00 0.00 C ATOM 319 NZ LYS A 24 19.570 19.160 -1.368 1.00 0.00 N ATOM 0 H LYS A 24 17.435 14.089 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 24 19.282 15.928 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 24 17.820 15.469 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.073 16.693 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.846 16.651 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.633 17.411 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.046 18.102 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.494 18.828 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.293 20.397 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.460 19.340 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.943 20.068 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.399 18.527 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.262 18.722 -2.010 1.00 0.00 H new ATOM 333 N ASP A 25 21.406 15.893 -2.514 1.00 0.00 N ATOM 334 CA ASP A 25 22.748 15.646 -1.999 1.00 0.00 C ATOM 335 C ASP A 25 22.699 14.762 -0.757 1.00 0.00 C ATOM 336 O ASP A 25 22.467 15.242 0.352 1.00 0.00 O ATOM 337 CB ASP A 25 23.442 16.969 -1.671 1.00 0.00 C ATOM 338 CG ASP A 25 24.939 16.809 -1.495 1.00 0.00 C ATOM 339 OD1 ASP A 25 25.509 15.868 -2.087 1.00 0.00 O ATOM 340 OD2 ASP A 25 25.542 17.624 -0.765 1.00 0.00 O ATOM 0 H ASP A 25 21.241 16.852 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 25 23.317 15.127 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.247 17.686 -2.469 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.014 17.384 -0.758 1.00 0.00 H new ATOM 345 N GLY A 26 22.919 13.465 -0.951 1.00 0.00 N ATOM 346 CA GLY A 26 22.895 12.533 0.162 1.00 0.00 C ATOM 347 C GLY A 26 21.499 12.332 0.718 1.00 0.00 C ATOM 348 O GLY A 26 21.305 12.325 1.934 1.00 0.00 O ATOM 0 H GLY A 26 23.113 13.043 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.295 11.573 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.549 12.899 0.953 1.00 0.00 H new ATOM 352 N GLN A 27 20.526 12.168 -0.172 1.00 0.00 N ATOM 353 CA GLN A 27 19.141 11.968 0.238 1.00 0.00 C ATOM 354 C GLN A 27 18.740 10.503 0.103 1.00 0.00 C ATOM 355 O GLN A 27 19.036 9.859 -0.904 1.00 0.00 O ATOM 356 CB GLN A 27 18.208 12.845 -0.598 1.00 0.00 C ATOM 357 CG GLN A 27 16.827 13.020 0.014 1.00 0.00 C ATOM 358 CD GLN A 27 16.743 14.227 0.928 1.00 0.00 C ATOM 359 OE1 GLN A 27 17.512 14.353 1.882 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.806 15.123 0.641 1.00 0.00 N ATOM 0 H GLN A 27 20.671 12.170 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 27 19.053 12.254 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.665 13.826 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.104 12.407 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.090 13.121 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.567 12.124 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.190 14.979 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.702 15.956 1.221 1.00 0.00 H new ATOM 369 N SER A 28 18.065 9.983 1.123 1.00 0.00 N ATOM 370 CA SER A 28 17.626 8.592 1.119 1.00 0.00 C ATOM 371 C SER A 28 16.175 8.482 0.662 1.00 0.00 C ATOM 372 O SER A 28 15.325 9.282 1.055 1.00 0.00 O ATOM 373 CB SER A 28 17.782 7.983 2.513 1.00 0.00 C ATOM 374 OG SER A 28 19.149 7.831 2.854 1.00 0.00 O ATOM 0 H SER A 28 17.810 10.503 1.962 1.00 0.00 H new ATOM 0 HA SER A 28 18.252 8.040 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.289 8.619 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.286 7.013 2.547 1.00 0.00 H new ATOM 0 HG SER A 28 19.221 7.441 3.750 1.00 0.00 H new ATOM 380 N LEU A 29 15.898 7.484 -0.170 1.00 0.00 N ATOM 381 CA LEU A 29 14.549 7.267 -0.682 1.00 0.00 C ATOM 382 C LEU A 29 13.507 7.522 0.403 1.00 0.00 C ATOM 383 O LEU A 29 12.746 8.485 0.333 1.00 0.00 O ATOM 384 CB LEU A 29 14.408 5.840 -1.215 1.00 0.00 C ATOM 385 CG LEU A 29 13.349 5.630 -2.298 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.600 6.556 -3.477 1.00 0.00 C ATOM 387 CD2 LEU A 29 13.332 4.177 -2.752 1.00 0.00 C ATOM 0 H LEU A 29 16.589 6.812 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 29 14.378 7.971 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.373 5.525 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.178 5.182 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 29 12.373 5.870 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.836 6.392 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.561 7.592 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.583 6.349 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.573 4.046 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.309 3.910 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.102 3.533 -1.903 1.00 0.00 H new ATOM 399 N GLY A 30 13.481 6.651 1.408 1.00 0.00 N ATOM 400 CA GLY A 30 12.531 6.800 2.494 1.00 0.00 C ATOM 401 C GLY A 30 11.164 6.243 2.149 1.00 0.00 C ATOM 402 O GLY A 30 10.150 6.923 2.316 1.00 0.00 O ATOM 0 H GLY A 30 14.101 5.845 1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.914 6.293 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.436 7.856 2.748 1.00 0.00 H new ATOM 406 N ILE A 31 11.135 5.006 1.667 1.00 0.00 N ATOM 407 CA ILE A 31 9.882 4.359 1.297 1.00 0.00 C ATOM 408 C ILE A 31 9.763 2.983 1.942 1.00 0.00 C ATOM 409 O ILE A 31 10.455 2.042 1.554 1.00 0.00 O ATOM 410 CB ILE A 31 9.755 4.211 -0.230 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.876 5.577 -0.910 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.432 3.550 -0.590 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.936 5.498 -2.419 1.00 0.00 C ATOM 0 H ILE A 31 11.965 4.431 1.523 1.00 0.00 H new ATOM 0 HA ILE A 31 9.077 4.998 1.660 1.00 0.00 H new ATOM 0 HB ILE A 31 10.566 3.576 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.026 6.195 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.773 6.077 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.357 3.452 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.382 2.562 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.608 4.162 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.021 6.503 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.802 4.908 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.028 5.027 -2.795 1.00 0.00 H new ATOM 425 N ARG A 32 8.879 2.873 2.929 1.00 0.00 N ATOM 426 CA ARG A 32 8.668 1.611 3.628 1.00 0.00 C ATOM 427 C ARG A 32 7.746 0.694 2.828 1.00 0.00 C ATOM 428 O ARG A 32 6.631 1.076 2.472 1.00 0.00 O ATOM 429 CB ARG A 32 8.074 1.865 5.015 1.00 0.00 C ATOM 430 CG ARG A 32 8.935 2.758 5.892 1.00 0.00 C ATOM 431 CD ARG A 32 10.293 2.130 6.163 1.00 0.00 C ATOM 432 NE ARG A 32 10.836 2.537 7.456 1.00 0.00 N ATOM 433 CZ ARG A 32 10.381 2.085 8.620 1.00 0.00 C ATOM 434 NH1 ARG A 32 9.380 1.216 8.651 1.00 0.00 N ATOM 435 NH2 ARG A 32 10.927 2.503 9.755 1.00 0.00 N ATOM 0 H ARG A 32 8.298 3.642 3.262 1.00 0.00 H new ATOM 0 HA ARG A 32 9.635 1.119 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.090 2.321 4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.926 0.909 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.070 3.725 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.424 2.944 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.203 1.044 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.988 2.414 5.373 1.00 0.00 H new ATOM 0 HE ARG A 32 11.607 3.205 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.958 0.893 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.032 0.870 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.697 3.172 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.577 2.155 10.648 1.00 0.00 H new ATOM 449 N ILE A 33 8.221 -0.516 2.550 1.00 0.00 N ATOM 450 CA ILE A 33 7.440 -1.486 1.793 1.00 0.00 C ATOM 451 C ILE A 33 6.921 -2.599 2.698 1.00 0.00 C ATOM 452 O ILE A 33 7.320 -2.709 3.857 1.00 0.00 O ATOM 453 CB ILE A 33 8.267 -2.110 0.654 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.504 -2.812 1.218 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.670 -1.043 -0.353 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.012 -3.936 0.343 1.00 0.00 C ATOM 0 H ILE A 33 9.142 -0.847 2.838 1.00 0.00 H new ATOM 0 HA ILE A 33 6.596 -0.946 1.364 1.00 0.00 H new ATOM 0 HB ILE A 33 7.653 -2.852 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.299 -2.078 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.268 -3.209 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.254 -1.499 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.776 -0.584 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.269 -0.281 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.890 -4.388 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.233 -4.690 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.280 -3.541 -0.637 1.00 0.00 H new ATOM 468 N VAL A 34 6.030 -3.425 2.159 1.00 0.00 N ATOM 469 CA VAL A 34 5.458 -4.533 2.915 1.00 0.00 C ATOM 470 C VAL A 34 5.124 -5.708 2.003 1.00 0.00 C ATOM 471 O VAL A 34 4.758 -5.522 0.843 1.00 0.00 O ATOM 472 CB VAL A 34 4.184 -4.101 3.666 1.00 0.00 C ATOM 473 CG1 VAL A 34 2.997 -4.047 2.716 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.906 -5.044 4.827 1.00 0.00 C ATOM 0 H VAL A 34 5.688 -3.348 1.201 1.00 0.00 H new ATOM 0 HA VAL A 34 6.211 -4.843 3.640 1.00 0.00 H new ATOM 0 HB VAL A 34 4.341 -3.101 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.106 -3.740 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.199 -3.329 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.834 -5.033 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.003 -4.725 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.768 -6.057 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.748 -5.027 5.519 1.00 0.00 H new ATOM 484 N GLY A 35 5.253 -6.919 2.536 1.00 0.00 N ATOM 485 CA GLY A 35 4.961 -8.107 1.756 1.00 0.00 C ATOM 486 C GLY A 35 3.623 -8.723 2.116 1.00 0.00 C ATOM 487 O GLY A 35 3.521 -9.480 3.083 1.00 0.00 O ATOM 0 H GLY A 35 5.554 -7.098 3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.967 -7.852 0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.750 -8.843 1.911 1.00 0.00 H new ATOM 491 N TYR A 36 2.596 -8.399 1.340 1.00 0.00 N ATOM 492 CA TYR A 36 1.257 -8.922 1.586 1.00 0.00 C ATOM 493 C TYR A 36 1.159 -10.386 1.167 1.00 0.00 C ATOM 494 O TYR A 36 1.843 -10.827 0.243 1.00 0.00 O ATOM 495 CB TYR A 36 0.216 -8.094 0.830 1.00 0.00 C ATOM 496 CG TYR A 36 -0.390 -6.983 1.658 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.199 -5.725 1.705 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.550 -7.191 2.393 1.00 0.00 C ATOM 499 CE1 TYR A 36 -0.351 -4.707 2.460 1.00 0.00 C ATOM 500 CE2 TYR A 36 -2.108 -6.179 3.150 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.505 -4.939 3.180 1.00 0.00 C ATOM 502 OH TYR A 36 -2.056 -3.928 3.934 1.00 0.00 O ATOM 0 H TYR A 36 2.664 -7.777 0.535 1.00 0.00 H new ATOM 0 HA TYR A 36 1.059 -8.854 2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.681 -7.663 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.580 -8.754 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.102 -5.540 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.024 -8.161 2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.120 -3.735 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.011 -6.358 3.715 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.866 -4.255 4.378 1.00 0.00 H new ATOM 624 N SER A 46 -2.248 -9.383 -2.450 1.00 0.00 N ATOM 625 CA SER A 46 -0.897 -9.924 -2.353 1.00 0.00 C ATOM 626 C SER A 46 0.069 -9.136 -3.232 1.00 0.00 C ATOM 627 O SER A 46 -0.203 -8.889 -4.406 1.00 0.00 O ATOM 628 CB SER A 46 -0.886 -11.399 -2.759 1.00 0.00 C ATOM 629 OG SER A 46 -1.476 -11.581 -4.034 1.00 0.00 O ATOM 0 HA SER A 46 -0.571 -9.837 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.140 -11.768 -2.773 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.426 -11.988 -2.017 1.00 0.00 H new ATOM 0 HG SER A 46 -2.086 -10.837 -4.221 1.00 0.00 H new ATOM 635 N GLY A 47 1.199 -8.742 -2.653 1.00 0.00 N ATOM 636 CA GLY A 47 2.189 -7.985 -3.397 1.00 0.00 C ATOM 637 C GLY A 47 2.912 -6.971 -2.534 1.00 0.00 C ATOM 638 O GLY A 47 2.730 -6.940 -1.316 1.00 0.00 O ATOM 0 H GLY A 47 1.447 -8.933 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.916 -8.672 -3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.701 -7.471 -4.225 1.00 0.00 H new ATOM 642 N ILE A 48 3.736 -6.140 -3.164 1.00 0.00 N ATOM 643 CA ILE A 48 4.490 -5.121 -2.444 1.00 0.00 C ATOM 644 C ILE A 48 3.736 -3.795 -2.419 1.00 0.00 C ATOM 645 O ILE A 48 3.400 -3.240 -3.466 1.00 0.00 O ATOM 646 CB ILE A 48 5.877 -4.897 -3.074 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.644 -6.219 -3.155 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.664 -3.871 -2.272 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.884 -6.861 -1.807 1.00 0.00 C ATOM 0 H ILE A 48 3.898 -6.152 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 48 4.617 -5.484 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 48 5.742 -4.513 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.089 -6.914 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.604 -6.044 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.642 -3.724 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.123 -2.925 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.792 -4.228 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.432 -7.794 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.465 -6.185 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.927 -7.068 -1.327 1.00 0.00 H new ATOM 661 N TYR A 49 3.475 -3.292 -1.218 1.00 0.00 N ATOM 662 CA TYR A 49 2.760 -2.032 -1.055 1.00 0.00 C ATOM 663 C TYR A 49 3.493 -1.111 -0.085 1.00 0.00 C ATOM 664 O TYR A 49 4.263 -1.566 0.760 1.00 0.00 O ATOM 665 CB TYR A 49 1.337 -2.289 -0.556 1.00 0.00 C ATOM 666 CG TYR A 49 0.511 -3.141 -1.492 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.875 -4.453 -1.772 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.632 -2.635 -2.098 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.124 -5.235 -2.628 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.390 -3.411 -2.954 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.008 -4.710 -3.216 1.00 0.00 C ATOM 672 OH TYR A 49 -1.759 -5.486 -4.068 1.00 0.00 O ATOM 0 H TYR A 49 3.748 -3.738 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 49 2.713 -1.542 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.385 -2.776 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.834 -1.333 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.760 -4.868 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.933 -1.618 -1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.422 -6.252 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.277 -3.002 -3.415 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.523 -4.967 -4.396 1.00 0.00 H new ATOM 682 N VAL A 50 3.248 0.189 -0.214 1.00 0.00 N ATOM 683 CA VAL A 50 3.882 1.176 0.652 1.00 0.00 C ATOM 684 C VAL A 50 3.261 1.166 2.044 1.00 0.00 C ATOM 685 O VAL A 50 2.099 1.531 2.221 1.00 0.00 O ATOM 686 CB VAL A 50 3.769 2.595 0.062 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.278 3.628 1.056 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.530 2.687 -1.252 1.00 0.00 C ATOM 0 H VAL A 50 2.615 0.583 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 50 4.935 0.903 0.725 1.00 0.00 H new ATOM 0 HB VAL A 50 2.718 2.805 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.191 4.624 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.686 3.577 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.323 3.424 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.440 3.696 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.582 2.458 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.115 1.974 -1.964 1.00 0.00 H new ATOM 698 N LYS A 51 4.044 0.745 3.032 1.00 0.00 N ATOM 699 CA LYS A 51 3.574 0.689 4.411 1.00 0.00 C ATOM 700 C LYS A 51 3.580 2.076 5.046 1.00 0.00 C ATOM 701 O LYS A 51 2.680 2.423 5.810 1.00 0.00 O ATOM 702 CB LYS A 51 4.448 -0.263 5.231 1.00 0.00 C ATOM 703 CG LYS A 51 4.008 -0.398 6.678 1.00 0.00 C ATOM 704 CD LYS A 51 2.931 -1.457 6.838 1.00 0.00 C ATOM 705 CE LYS A 51 2.865 -1.974 8.267 1.00 0.00 C ATOM 706 NZ LYS A 51 1.898 -3.098 8.406 1.00 0.00 N ATOM 0 H LYS A 51 5.008 0.437 2.903 1.00 0.00 H new ATOM 0 HA LYS A 51 2.549 0.317 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.436 -1.247 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.479 0.090 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.867 -0.655 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.633 0.561 7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.964 -1.040 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.131 -2.286 6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.855 -2.306 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.576 -1.162 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.882 -3.422 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.948 -2.775 8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.187 -3.883 7.789 1.00 0.00 H new ATOM 720 N SER A 52 4.600 2.864 4.723 1.00 0.00 N ATOM 721 CA SER A 52 4.724 4.213 5.264 1.00 0.00 C ATOM 722 C SER A 52 5.721 5.034 4.451 1.00 0.00 C ATOM 723 O SER A 52 6.442 4.500 3.609 1.00 0.00 O ATOM 724 CB SER A 52 5.165 4.159 6.728 1.00 0.00 C ATOM 725 OG SER A 52 4.050 4.007 7.590 1.00 0.00 O ATOM 0 H SER A 52 5.352 2.592 4.090 1.00 0.00 H new ATOM 0 HA SER A 52 3.748 4.694 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.857 3.329 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.704 5.071 6.983 1.00 0.00 H new ATOM 0 HG SER A 52 3.368 3.459 7.149 1.00 0.00 H new ATOM 731 N VAL A 53 5.754 6.338 4.710 1.00 0.00 N ATOM 732 CA VAL A 53 6.662 7.235 4.005 1.00 0.00 C ATOM 733 C VAL A 53 7.321 8.217 4.966 1.00 0.00 C ATOM 734 O VAL A 53 6.642 9.000 5.631 1.00 0.00 O ATOM 735 CB VAL A 53 5.928 8.024 2.904 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.904 8.901 2.135 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.197 7.075 1.966 1.00 0.00 C ATOM 0 H VAL A 53 5.162 6.796 5.403 1.00 0.00 H new ATOM 0 HA VAL A 53 7.429 6.612 3.545 1.00 0.00 H new ATOM 0 HB VAL A 53 5.189 8.672 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.368 9.451 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.377 9.606 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.668 8.276 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.684 7.649 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.915 6.400 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.468 6.495 2.531 1.00 0.00 H new ATOM 747 N ILE A 54 8.647 8.171 5.033 1.00 0.00 N ATOM 748 CA ILE A 54 9.398 9.059 5.912 1.00 0.00 C ATOM 749 C ILE A 54 9.339 10.500 5.418 1.00 0.00 C ATOM 750 O ILE A 54 9.606 10.795 4.253 1.00 0.00 O ATOM 751 CB ILE A 54 10.872 8.626 6.023 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.966 7.179 6.513 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.629 9.558 6.958 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.784 6.156 5.414 1.00 0.00 C ATOM 0 H ILE A 54 9.223 7.529 4.489 1.00 0.00 H new ATOM 0 HA ILE A 54 8.934 8.996 6.896 1.00 0.00 H new ATOM 0 HB ILE A 54 11.328 8.685 5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.937 7.026 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.210 7.014 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.669 9.239 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.586 10.576 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.175 9.528 7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.863 5.153 5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.802 6.282 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.556 6.294 4.657 1.00 0.00 H new ATOM 766 N PRO A 55 8.983 11.422 6.325 1.00 0.00 N ATOM 767 CA PRO A 55 8.883 12.849 6.006 1.00 0.00 C ATOM 768 C PRO A 55 10.246 13.484 5.752 1.00 0.00 C ATOM 769 O PRO A 55 11.219 13.183 6.443 1.00 0.00 O ATOM 770 CB PRO A 55 8.239 13.449 7.258 1.00 0.00 C ATOM 771 CG PRO A 55 8.600 12.509 8.356 1.00 0.00 C ATOM 772 CD PRO A 55 8.651 11.142 7.732 1.00 0.00 C ATOM 0 HA PRO A 55 8.314 13.023 5.093 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.616 14.452 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.158 13.531 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.562 12.773 8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.863 12.544 9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.404 10.512 8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.697 10.622 7.824 1.00 0.00 H new ATOM 780 N GLY A 56 10.309 14.363 4.757 1.00 0.00 N ATOM 781 CA GLY A 56 11.558 15.026 4.431 1.00 0.00 C ATOM 782 C GLY A 56 12.439 14.189 3.525 1.00 0.00 C ATOM 783 O GLY A 56 13.641 14.435 3.417 1.00 0.00 O ATOM 0 H GLY A 56 9.517 14.628 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.344 15.979 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.098 15.251 5.351 1.00 0.00 H new ATOM 787 N SER A 57 11.842 13.197 2.874 1.00 0.00 N ATOM 788 CA SER A 57 12.582 12.317 1.977 1.00 0.00 C ATOM 789 C SER A 57 12.203 12.579 0.523 1.00 0.00 C ATOM 790 O SER A 57 11.298 13.364 0.238 1.00 0.00 O ATOM 791 CB SER A 57 12.314 10.852 2.329 1.00 0.00 C ATOM 792 OG SER A 57 11.193 10.354 1.620 1.00 0.00 O ATOM 0 H SER A 57 10.848 12.982 2.951 1.00 0.00 H new ATOM 0 HA SER A 57 13.645 12.525 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.193 10.252 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.141 10.758 3.401 1.00 0.00 H new ATOM 0 HG SER A 57 11.478 9.631 1.023 1.00 0.00 H new ATOM 798 N ALA A 58 12.902 11.917 -0.393 1.00 0.00 N ATOM 799 CA ALA A 58 12.638 12.076 -1.818 1.00 0.00 C ATOM 800 C ALA A 58 11.208 11.673 -2.160 1.00 0.00 C ATOM 801 O ALA A 58 10.500 12.395 -2.861 1.00 0.00 O ATOM 802 CB ALA A 58 13.629 11.259 -2.633 1.00 0.00 C ATOM 0 H ALA A 58 13.656 11.265 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 58 12.760 13.130 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.420 11.387 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.643 11.598 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.536 10.205 -2.370 1.00 0.00 H new ATOM 808 N ALA A 59 10.790 10.514 -1.662 1.00 0.00 N ATOM 809 CA ALA A 59 9.444 10.015 -1.914 1.00 0.00 C ATOM 810 C ALA A 59 8.391 10.975 -1.370 1.00 0.00 C ATOM 811 O ALA A 59 7.401 11.270 -2.040 1.00 0.00 O ATOM 812 CB ALA A 59 9.269 8.634 -1.299 1.00 0.00 C ATOM 0 H ALA A 59 11.364 9.903 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 59 9.307 9.941 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.259 8.274 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.991 7.946 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.431 8.692 -0.223 1.00 0.00 H new ATOM 818 N TYR A 60 8.612 11.460 -0.153 1.00 0.00 N ATOM 819 CA TYR A 60 7.680 12.385 0.482 1.00 0.00 C ATOM 820 C TYR A 60 7.634 13.712 -0.269 1.00 0.00 C ATOM 821 O TYR A 60 6.559 14.243 -0.551 1.00 0.00 O ATOM 822 CB TYR A 60 8.080 12.624 1.939 1.00 0.00 C ATOM 823 CG TYR A 60 7.228 13.659 2.638 1.00 0.00 C ATOM 824 CD1 TYR A 60 7.576 15.005 2.613 1.00 0.00 C ATOM 825 CD2 TYR A 60 6.077 13.293 3.324 1.00 0.00 C ATOM 826 CE1 TYR A 60 6.801 15.954 3.250 1.00 0.00 C ATOM 827 CE2 TYR A 60 5.296 14.236 3.963 1.00 0.00 C ATOM 828 CZ TYR A 60 5.662 15.565 3.924 1.00 0.00 C ATOM 829 OH TYR A 60 4.887 16.507 4.561 1.00 0.00 O ATOM 0 H TYR A 60 9.428 11.228 0.413 1.00 0.00 H new ATOM 0 HA TYR A 60 6.686 11.938 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.014 11.683 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.123 12.940 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.467 15.313 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.788 12.253 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.085 16.996 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.403 13.934 4.491 1.00 0.00 H new ATOM 0 HH TYR A 60 4.121 16.067 4.986 1.00 0.00 H new ATOM 839 N HIS A 61 8.810 14.243 -0.591 1.00 0.00 N ATOM 840 CA HIS A 61 8.905 15.508 -1.311 1.00 0.00 C ATOM 841 C HIS A 61 8.087 15.465 -2.598 1.00 0.00 C ATOM 842 O HIS A 61 7.367 16.409 -2.919 1.00 0.00 O ATOM 843 CB HIS A 61 10.366 15.827 -1.632 1.00 0.00 C ATOM 844 CG HIS A 61 11.055 16.617 -0.563 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.414 17.567 0.203 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.338 16.592 -0.132 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.273 18.094 1.058 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.448 17.519 0.875 1.00 0.00 N ATOM 0 H HIS A 61 9.709 13.817 -0.365 1.00 0.00 H new ATOM 0 HA HIS A 61 8.501 16.293 -0.671 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.907 14.894 -1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.411 16.382 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.128 15.960 -0.510 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.052 18.864 1.783 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.299 17.729 1.397 1.00 0.00 H new ATOM 857 N ASN A 62 8.204 14.362 -3.331 1.00 0.00 N ATOM 858 CA ASN A 62 7.476 14.196 -4.583 1.00 0.00 C ATOM 859 C ASN A 62 5.974 14.355 -4.365 1.00 0.00 C ATOM 860 O ASN A 62 5.390 15.379 -4.717 1.00 0.00 O ATOM 861 CB ASN A 62 7.771 12.823 -5.191 1.00 0.00 C ATOM 862 CG ASN A 62 6.951 12.555 -6.439 1.00 0.00 C ATOM 863 OD1 ASN A 62 5.735 12.747 -6.449 1.00 0.00 O ATOM 864 ND2 ASN A 62 7.616 12.108 -7.498 1.00 0.00 N ATOM 0 H ASN A 62 8.796 13.570 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 62 7.809 14.971 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.831 12.757 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.565 12.049 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.119 11.909 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.624 11.964 -7.443 1.00 0.00 H new ATOM 871 N GLY A 63 5.355 13.334 -3.780 1.00 0.00 N ATOM 872 CA GLY A 63 3.927 13.380 -3.525 1.00 0.00 C ATOM 873 C GLY A 63 3.146 12.446 -4.427 1.00 0.00 C ATOM 874 O GLY A 63 1.929 12.576 -4.563 1.00 0.00 O ATOM 0 H GLY A 63 5.817 12.476 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.738 13.117 -2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.569 14.400 -3.666 1.00 0.00 H new ATOM 878 N HIS A 64 3.846 11.502 -5.047 1.00 0.00 N ATOM 879 CA HIS A 64 3.210 10.542 -5.943 1.00 0.00 C ATOM 880 C HIS A 64 3.307 9.127 -5.381 1.00 0.00 C ATOM 881 O HIS A 64 2.480 8.268 -5.690 1.00 0.00 O ATOM 882 CB HIS A 64 3.856 10.599 -7.327 1.00 0.00 C ATOM 883 CG HIS A 64 3.220 11.597 -8.245 1.00 0.00 C ATOM 884 ND1 HIS A 64 2.076 11.333 -8.968 1.00 0.00 N ATOM 885 CD2 HIS A 64 3.574 12.866 -8.555 1.00 0.00 C ATOM 886 CE1 HIS A 64 1.754 12.396 -9.683 1.00 0.00 C ATOM 887 NE2 HIS A 64 2.647 13.341 -9.450 1.00 0.00 N ATOM 0 H HIS A 64 4.854 11.381 -4.946 1.00 0.00 H new ATOM 0 HA HIS A 64 2.156 10.807 -6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.913 10.842 -7.216 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.803 9.611 -7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.427 13.405 -8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.905 12.478 -10.345 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.648 14.272 -9.867 1.00 0.00 H new ATOM 896 N ILE A 65 4.321 8.892 -4.555 1.00 0.00 N ATOM 897 CA ILE A 65 4.525 7.582 -3.950 1.00 0.00 C ATOM 898 C ILE A 65 4.247 7.619 -2.451 1.00 0.00 C ATOM 899 O ILE A 65 4.996 8.226 -1.687 1.00 0.00 O ATOM 900 CB ILE A 65 5.959 7.071 -4.183 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.324 7.168 -5.666 1.00 0.00 C ATOM 902 CG2 ILE A 65 6.098 5.639 -3.690 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.811 7.293 -5.915 1.00 0.00 C ATOM 0 H ILE A 65 5.014 9.592 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 65 3.823 6.900 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 65 6.648 7.697 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.950 6.284 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.817 8.029 -6.101 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.117 5.292 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.876 5.598 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.401 4.999 -4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.996 7.357 -6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.187 8.192 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.322 6.420 -5.510 1.00 0.00 H new ATOM 915 N GLN A 66 3.167 6.964 -2.039 1.00 0.00 N ATOM 916 CA GLN A 66 2.792 6.921 -0.630 1.00 0.00 C ATOM 917 C GLN A 66 2.020 5.645 -0.311 1.00 0.00 C ATOM 918 O GLN A 66 1.807 4.801 -1.182 1.00 0.00 O ATOM 919 CB GLN A 66 1.948 8.145 -0.268 1.00 0.00 C ATOM 920 CG GLN A 66 0.971 8.555 -1.359 1.00 0.00 C ATOM 921 CD GLN A 66 1.618 9.408 -2.431 1.00 0.00 C ATOM 922 OE1 GLN A 66 2.709 9.946 -2.239 1.00 0.00 O ATOM 923 NE2 GLN A 66 0.948 9.537 -3.570 1.00 0.00 N ATOM 0 H GLN A 66 2.537 6.456 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 66 3.706 6.929 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.392 7.935 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.611 8.983 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.548 7.661 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.143 9.106 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.047 9.074 -3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.335 10.099 -4.328 1.00 0.00 H new ATOM 932 N VAL A 67 1.603 5.510 0.944 1.00 0.00 N ATOM 933 CA VAL A 67 0.854 4.336 1.379 1.00 0.00 C ATOM 934 C VAL A 67 -0.334 4.072 0.461 1.00 0.00 C ATOM 935 O VAL A 67 -0.761 4.950 -0.287 1.00 0.00 O ATOM 936 CB VAL A 67 0.347 4.498 2.824 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.509 4.747 3.773 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.672 5.625 2.907 1.00 0.00 C ATOM 0 H VAL A 67 1.771 6.199 1.677 1.00 0.00 H new ATOM 0 HA VAL A 67 1.538 3.489 1.335 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.144 3.572 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.131 4.859 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.199 3.904 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.031 5.657 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.020 5.726 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.209 6.559 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.518 5.399 2.258 1.00 0.00 H new ATOM 948 N ASN A 68 -0.863 2.854 0.524 1.00 0.00 N ATOM 949 CA ASN A 68 -2.003 2.473 -0.302 1.00 0.00 C ATOM 950 C ASN A 68 -1.619 2.442 -1.778 1.00 0.00 C ATOM 951 O ASN A 68 -2.419 2.792 -2.646 1.00 0.00 O ATOM 952 CB ASN A 68 -3.164 3.446 -0.086 1.00 0.00 C ATOM 953 CG ASN A 68 -3.531 3.593 1.378 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.310 2.684 2.178 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.095 4.741 1.734 1.00 0.00 N ATOM 0 H ASN A 68 -0.521 2.115 1.138 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.316 1.472 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.896 4.422 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.034 3.098 -0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.364 4.897 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.259 5.467 1.036 1.00 0.00 H new ATOM 962 N ASP A 69 -0.391 2.019 -2.055 1.00 0.00 N ATOM 963 CA ASP A 69 0.100 1.940 -3.426 1.00 0.00 C ATOM 964 C ASP A 69 0.860 0.638 -3.657 1.00 0.00 C ATOM 965 O ASP A 69 1.657 0.214 -2.820 1.00 0.00 O ATOM 966 CB ASP A 69 1.003 3.134 -3.737 1.00 0.00 C ATOM 967 CG ASP A 69 0.215 4.379 -4.094 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.686 4.755 -3.315 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.500 4.978 -5.152 1.00 0.00 O ATOM 0 H ASP A 69 0.283 1.725 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.760 1.961 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.635 3.343 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.667 2.878 -4.563 1.00 0.00 H new ATOM 974 N LYS A 70 0.607 0.005 -4.799 1.00 0.00 N ATOM 975 CA LYS A 70 1.267 -1.249 -5.141 1.00 0.00 C ATOM 976 C LYS A 70 2.375 -1.019 -6.164 1.00 0.00 C ATOM 977 O LYS A 70 2.165 -0.360 -7.183 1.00 0.00 O ATOM 978 CB LYS A 70 0.249 -2.250 -5.692 1.00 0.00 C ATOM 979 CG LYS A 70 0.603 -3.699 -5.403 1.00 0.00 C ATOM 980 CD LYS A 70 1.651 -4.221 -6.372 1.00 0.00 C ATOM 981 CE LYS A 70 1.014 -4.766 -7.641 1.00 0.00 C ATOM 982 NZ LYS A 70 1.823 -5.863 -8.241 1.00 0.00 N ATOM 0 H LYS A 70 -0.051 0.341 -5.503 1.00 0.00 H new ATOM 0 HA LYS A 70 1.713 -1.656 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.730 -2.032 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.165 -2.113 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.974 -3.787 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.294 -4.314 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.344 -3.419 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.235 -5.006 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.013 -5.134 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.901 -3.960 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.518 -6.023 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.829 -5.599 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.688 -6.735 -7.690 1.00 0.00 H new ATOM 996 N ILE A 71 3.553 -1.567 -5.887 1.00 0.00 N ATOM 997 CA ILE A 71 4.692 -1.424 -6.784 1.00 0.00 C ATOM 998 C ILE A 71 4.880 -2.673 -7.638 1.00 0.00 C ATOM 999 O ILE A 71 4.838 -3.796 -7.134 1.00 0.00 O ATOM 1000 CB ILE A 71 5.992 -1.148 -6.005 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.889 0.180 -5.253 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.184 -1.137 -6.951 1.00 0.00 C ATOM 1003 CD1 ILE A 71 5.331 0.041 -3.854 1.00 0.00 C ATOM 0 H ILE A 71 3.743 -2.115 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 71 4.478 -0.573 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 71 6.139 -1.946 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.878 0.634 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.257 0.862 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.095 -0.941 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.265 -2.105 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.047 -0.357 -7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.287 1.022 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.328 -0.384 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.975 -0.615 -3.269 1.00 0.00 H new ATOM 1015 N VAL A 72 5.090 -2.471 -8.935 1.00 0.00 N ATOM 1016 CA VAL A 72 5.288 -3.581 -9.860 1.00 0.00 C ATOM 1017 C VAL A 72 6.722 -3.619 -10.374 1.00 0.00 C ATOM 1018 O VAL A 72 7.263 -4.688 -10.656 1.00 0.00 O ATOM 1019 CB VAL A 72 4.326 -3.490 -11.060 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.958 -4.042 -10.691 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.217 -2.053 -11.547 1.00 0.00 C ATOM 0 H VAL A 72 5.127 -1.549 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 72 5.080 -4.496 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 72 4.728 -4.095 -11.873 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.292 -3.969 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.055 -5.086 -10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.545 -3.467 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.534 -2.007 -12.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.839 -1.424 -10.742 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.201 -1.697 -11.854 1.00 0.00 H new ATOM 1031 N ALA A 73 7.334 -2.445 -10.492 1.00 0.00 N ATOM 1032 CA ALA A 73 8.708 -2.344 -10.969 1.00 0.00 C ATOM 1033 C ALA A 73 9.387 -1.092 -10.426 1.00 0.00 C ATOM 1034 O ALA A 73 8.777 -0.025 -10.353 1.00 0.00 O ATOM 1035 CB ALA A 73 8.739 -2.347 -12.491 1.00 0.00 C ATOM 0 H ALA A 73 6.900 -1.551 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 73 9.259 -3.211 -10.603 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.771 -2.271 -12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.300 -3.273 -12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.168 -1.499 -12.868 1.00 0.00 H new ATOM 1041 N VAL A 74 10.653 -1.229 -10.045 1.00 0.00 N ATOM 1042 CA VAL A 74 11.416 -0.108 -9.509 1.00 0.00 C ATOM 1043 C VAL A 74 12.507 0.329 -10.480 1.00 0.00 C ATOM 1044 O VAL A 74 13.386 -0.456 -10.836 1.00 0.00 O ATOM 1045 CB VAL A 74 12.060 -0.463 -8.156 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.896 0.698 -7.641 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.993 -0.852 -7.144 1.00 0.00 C ATOM 0 H VAL A 74 11.172 -2.105 -10.098 1.00 0.00 H new ATOM 0 HA VAL A 74 10.713 0.712 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 74 12.720 -1.318 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.343 0.428 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.684 0.925 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.261 1.574 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.466 -1.100 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.306 -0.018 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.441 -1.717 -7.511 1.00 0.00 H new ATOM 1057 N ASP A 75 12.445 1.587 -10.904 1.00 0.00 N ATOM 1058 CA ASP A 75 13.429 2.130 -11.833 1.00 0.00 C ATOM 1059 C ASP A 75 13.555 1.245 -13.069 1.00 0.00 C ATOM 1060 O ASP A 75 14.607 1.197 -13.705 1.00 0.00 O ATOM 1061 CB ASP A 75 14.789 2.266 -11.146 1.00 0.00 C ATOM 1062 CG ASP A 75 15.503 0.936 -11.007 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.122 0.489 -11.995 1.00 0.00 O ATOM 1064 OD2 ASP A 75 15.442 0.341 -9.910 1.00 0.00 O ATOM 0 H ASP A 75 11.724 2.249 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 75 13.090 3.117 -12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.414 2.953 -11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.651 2.706 -10.158 1.00 0.00 H new ATOM 1069 N GLY A 76 12.475 0.545 -13.403 1.00 0.00 N ATOM 1070 CA GLY A 76 12.487 -0.330 -14.561 1.00 0.00 C ATOM 1071 C GLY A 76 12.639 -1.790 -14.183 1.00 0.00 C ATOM 1072 O GLY A 76 12.291 -2.679 -14.960 1.00 0.00 O ATOM 0 H GLY A 76 11.592 0.568 -12.893 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.562 -0.198 -15.122 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.305 -0.042 -15.222 1.00 0.00 H new ATOM 1076 N VAL A 77 13.160 -2.039 -12.986 1.00 0.00 N ATOM 1077 CA VAL A 77 13.358 -3.401 -12.506 1.00 0.00 C ATOM 1078 C VAL A 77 12.034 -4.037 -12.095 1.00 0.00 C ATOM 1079 O VAL A 77 11.347 -3.541 -11.204 1.00 0.00 O ATOM 1080 CB VAL A 77 14.327 -3.440 -11.309 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.445 -4.855 -10.763 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.691 -2.900 -11.711 1.00 0.00 C ATOM 0 H VAL A 77 13.453 -1.314 -12.330 1.00 0.00 H new ATOM 0 HA VAL A 77 13.789 -3.967 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 77 13.927 -2.804 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.134 -4.863 -9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.465 -5.202 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.821 -5.516 -11.544 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.363 -2.935 -10.854 1.00 0.00 H new ATOM 0 HG22 VAL A 77 16.100 -3.509 -12.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.589 -1.869 -12.050 1.00 0.00 H new ATOM 1092 N ASN A 78 11.684 -5.138 -12.751 1.00 0.00 N ATOM 1093 CA ASN A 78 10.442 -5.842 -12.454 1.00 0.00 C ATOM 1094 C ASN A 78 10.540 -6.580 -11.122 1.00 0.00 C ATOM 1095 O ASN A 78 11.045 -7.701 -11.058 1.00 0.00 O ATOM 1096 CB ASN A 78 10.111 -6.831 -13.574 1.00 0.00 C ATOM 1097 CG ASN A 78 8.703 -7.382 -13.461 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.503 -8.526 -13.053 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.718 -6.568 -13.825 1.00 0.00 N ATOM 0 H ASN A 78 12.243 -5.562 -13.492 1.00 0.00 H new ATOM 0 HA ASN A 78 9.644 -5.103 -12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.228 -6.336 -14.538 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.824 -7.655 -13.550 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.750 -6.884 -13.772 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.930 -5.627 -14.157 1.00 0.00 H new ATOM 1106 N ILE A 79 10.054 -5.943 -10.062 1.00 0.00 N ATOM 1107 CA ILE A 79 10.086 -6.539 -8.732 1.00 0.00 C ATOM 1108 C ILE A 79 8.825 -7.355 -8.466 1.00 0.00 C ATOM 1109 O ILE A 79 8.524 -7.693 -7.321 1.00 0.00 O ATOM 1110 CB ILE A 79 10.230 -5.466 -7.637 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.976 -4.591 -7.581 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.466 -4.614 -7.890 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.695 -4.026 -6.206 1.00 0.00 C ATOM 0 H ILE A 79 9.633 -5.014 -10.098 1.00 0.00 H new ATOM 0 HA ILE A 79 10.955 -7.196 -8.701 1.00 0.00 H new ATOM 0 HB ILE A 79 10.346 -5.964 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.085 -3.768 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.118 -5.179 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.554 -3.860 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.352 -5.248 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.377 -4.123 -8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.792 -3.416 -6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.554 -4.843 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.536 -3.411 -5.887 1.00 0.00 H new ATOM 1125 N GLN A 80 8.094 -7.669 -9.530 1.00 0.00 N ATOM 1126 CA GLN A 80 6.866 -8.446 -9.410 1.00 0.00 C ATOM 1127 C GLN A 80 7.142 -9.807 -8.780 1.00 0.00 C ATOM 1128 O GLN A 80 7.435 -10.777 -9.478 1.00 0.00 O ATOM 1129 CB GLN A 80 6.217 -8.629 -10.784 1.00 0.00 C ATOM 1130 CG GLN A 80 5.549 -7.370 -11.313 1.00 0.00 C ATOM 1131 CD GLN A 80 4.542 -7.661 -12.408 1.00 0.00 C ATOM 1132 OE1 GLN A 80 4.910 -8.016 -13.528 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.261 -7.512 -12.090 1.00 0.00 N ATOM 0 H GLN A 80 8.330 -7.398 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 80 6.181 -7.898 -8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.977 -8.954 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.476 -9.426 -10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.049 -6.856 -10.492 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.312 -6.692 -11.696 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.000 -7.216 -11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.538 -7.694 -12.786 1.00 0.00 H new ATOM 1142 N GLY A 81 7.048 -9.871 -7.455 1.00 0.00 N ATOM 1143 CA GLY A 81 7.292 -11.117 -6.754 1.00 0.00 C ATOM 1144 C GLY A 81 8.512 -11.049 -5.857 1.00 0.00 C ATOM 1145 O GLY A 81 8.664 -11.856 -4.940 1.00 0.00 O ATOM 0 H GLY A 81 6.807 -9.082 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.418 -11.370 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.423 -11.919 -7.480 1.00 0.00 H new ATOM 1149 N PHE A 82 9.387 -10.084 -6.124 1.00 0.00 N ATOM 1150 CA PHE A 82 10.602 -9.915 -5.336 1.00 0.00 C ATOM 1151 C PHE A 82 10.289 -9.932 -3.842 1.00 0.00 C ATOM 1152 O PHE A 82 9.274 -9.392 -3.404 1.00 0.00 O ATOM 1153 CB PHE A 82 11.298 -8.605 -5.708 1.00 0.00 C ATOM 1154 CG PHE A 82 12.181 -8.717 -6.918 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.734 -9.359 -8.061 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.459 -8.181 -6.911 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.543 -9.464 -9.176 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.273 -8.283 -8.024 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.815 -8.926 -9.157 1.00 0.00 C ATOM 0 H PHE A 82 9.277 -9.408 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 82 11.268 -10.748 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.543 -7.840 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.896 -8.268 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.741 -9.783 -8.081 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.823 -7.678 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.181 -9.966 -10.061 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.267 -7.860 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.450 -9.008 -10.027 1.00 0.00 H new ATOM 1169 N ALA A 83 11.169 -10.557 -3.067 1.00 0.00 N ATOM 1170 CA ALA A 83 10.988 -10.643 -1.623 1.00 0.00 C ATOM 1171 C ALA A 83 11.180 -9.282 -0.963 1.00 0.00 C ATOM 1172 O ALA A 83 11.839 -8.402 -1.514 1.00 0.00 O ATOM 1173 CB ALA A 83 11.953 -11.659 -1.030 1.00 0.00 C ATOM 0 H ALA A 83 12.014 -11.011 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 83 9.967 -10.971 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.807 -11.713 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.767 -12.638 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.978 -11.355 -1.243 1.00 0.00 H new ATOM 1179 N ASN A 84 10.598 -9.116 0.220 1.00 0.00 N ATOM 1180 CA ASN A 84 10.704 -7.860 0.955 1.00 0.00 C ATOM 1181 C ASN A 84 12.127 -7.315 0.898 1.00 0.00 C ATOM 1182 O ASN A 84 12.344 -6.146 0.577 1.00 0.00 O ATOM 1183 CB ASN A 84 10.280 -8.060 2.411 1.00 0.00 C ATOM 1184 CG ASN A 84 10.688 -6.898 3.297 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.731 -6.939 3.951 1.00 0.00 O ATOM 1186 ND2 ASN A 84 9.866 -5.856 3.322 1.00 0.00 N ATOM 0 H ASN A 84 10.048 -9.835 0.690 1.00 0.00 H new ATOM 0 HA ASN A 84 10.038 -7.136 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.198 -8.186 2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.725 -8.979 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.088 -5.045 3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.013 -5.866 2.763 1.00 0.00 H new ATOM 1193 N HIS A 85 13.096 -8.170 1.210 1.00 0.00 N ATOM 1194 CA HIS A 85 14.500 -7.775 1.194 1.00 0.00 C ATOM 1195 C HIS A 85 14.989 -7.570 -0.237 1.00 0.00 C ATOM 1196 O HIS A 85 15.674 -6.591 -0.534 1.00 0.00 O ATOM 1197 CB HIS A 85 15.357 -8.831 1.892 1.00 0.00 C ATOM 1198 CG HIS A 85 15.036 -10.234 1.477 1.00 0.00 C ATOM 1199 ND1 HIS A 85 13.978 -10.949 1.996 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.640 -11.053 0.584 1.00 0.00 C ATOM 1201 CE1 HIS A 85 13.946 -12.148 1.443 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.944 -12.237 0.582 1.00 0.00 N ATOM 0 H HIS A 85 12.934 -9.141 1.477 1.00 0.00 H new ATOM 0 HA HIS A 85 14.593 -6.831 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.408 -8.630 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.224 -8.740 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.508 -10.819 -0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.226 -12.924 1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.162 -13.052 0.009 1.00 0.00 H new ATOM 1211 N ASP A 86 14.635 -8.500 -1.117 1.00 0.00 N ATOM 1212 CA ASP A 86 15.038 -8.421 -2.516 1.00 0.00 C ATOM 1213 C ASP A 86 14.672 -7.065 -3.112 1.00 0.00 C ATOM 1214 O ASP A 86 15.291 -6.610 -4.074 1.00 0.00 O ATOM 1215 CB ASP A 86 14.379 -9.541 -3.323 1.00 0.00 C ATOM 1216 CG ASP A 86 14.970 -10.902 -3.013 1.00 0.00 C ATOM 1217 OD1 ASP A 86 16.016 -10.954 -2.334 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.386 -11.916 -3.450 1.00 0.00 O ATOM 0 H ASP A 86 14.070 -9.317 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 86 16.121 -8.538 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.310 -9.556 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.492 -9.333 -4.387 1.00 0.00 H new ATOM 1223 N VAL A 87 13.661 -6.424 -2.534 1.00 0.00 N ATOM 1224 CA VAL A 87 13.212 -5.120 -3.007 1.00 0.00 C ATOM 1225 C VAL A 87 14.022 -3.996 -2.371 1.00 0.00 C ATOM 1226 O VAL A 87 14.301 -2.980 -3.009 1.00 0.00 O ATOM 1227 CB VAL A 87 11.718 -4.897 -2.703 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.284 -3.509 -3.148 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.872 -5.969 -3.373 1.00 0.00 C ATOM 0 H VAL A 87 13.137 -6.787 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 87 13.362 -5.106 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 87 11.570 -4.970 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.226 -3.370 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.869 -2.757 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.446 -3.404 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.820 -5.796 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.023 -5.930 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.166 -6.950 -3.000 1.00 0.00 H new ATOM 1239 N VAL A 88 14.398 -4.185 -1.111 1.00 0.00 N ATOM 1240 CA VAL A 88 15.179 -3.187 -0.388 1.00 0.00 C ATOM 1241 C VAL A 88 16.499 -2.905 -1.096 1.00 0.00 C ATOM 1242 O VAL A 88 16.849 -1.750 -1.341 1.00 0.00 O ATOM 1243 CB VAL A 88 15.469 -3.639 1.055 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.397 -2.653 1.748 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.172 -3.801 1.833 1.00 0.00 C ATOM 0 H VAL A 88 14.175 -5.020 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 88 14.582 -2.275 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 88 15.968 -4.607 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.590 -2.989 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.338 -2.593 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.929 -1.669 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.396 -4.121 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.643 -2.849 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.547 -4.550 1.346 1.00 0.00 H new ATOM 1255 N GLU A 89 17.229 -3.967 -1.423 1.00 0.00 N ATOM 1256 CA GLU A 89 18.511 -3.832 -2.103 1.00 0.00 C ATOM 1257 C GLU A 89 18.354 -3.070 -3.416 1.00 0.00 C ATOM 1258 O GLU A 89 19.171 -2.212 -3.750 1.00 0.00 O ATOM 1259 CB GLU A 89 19.119 -5.211 -2.370 1.00 0.00 C ATOM 1260 CG GLU A 89 18.368 -6.015 -3.418 1.00 0.00 C ATOM 1261 CD GLU A 89 18.969 -7.389 -3.641 1.00 0.00 C ATOM 1262 OE1 GLU A 89 19.314 -8.054 -2.642 1.00 0.00 O ATOM 1263 OE2 GLU A 89 19.095 -7.799 -4.814 1.00 0.00 O ATOM 0 H GLU A 89 16.954 -4.930 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 89 19.180 -3.267 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.153 -5.087 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.141 -5.776 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.328 -6.123 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.367 -5.466 -4.360 1.00 0.00 H new ATOM 1270 N VAL A 90 17.298 -3.391 -4.156 1.00 0.00 N ATOM 1271 CA VAL A 90 17.032 -2.737 -5.432 1.00 0.00 C ATOM 1272 C VAL A 90 17.020 -1.220 -5.280 1.00 0.00 C ATOM 1273 O VAL A 90 17.659 -0.503 -6.051 1.00 0.00 O ATOM 1274 CB VAL A 90 15.686 -3.194 -6.027 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.364 -2.404 -7.286 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.711 -4.687 -6.315 1.00 0.00 C ATOM 0 H VAL A 90 16.613 -4.100 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 90 17.836 -3.025 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 90 14.901 -3.002 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.410 -2.740 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.302 -1.343 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.149 -2.562 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.753 -4.993 -6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.506 -4.907 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.892 -5.233 -5.389 1.00 0.00 H new ATOM 1286 N LEU A 91 16.288 -0.737 -4.282 1.00 0.00 N ATOM 1287 CA LEU A 91 16.192 0.696 -4.028 1.00 0.00 C ATOM 1288 C LEU A 91 17.572 1.299 -3.783 1.00 0.00 C ATOM 1289 O LEU A 91 17.897 2.364 -4.308 1.00 0.00 O ATOM 1290 CB LEU A 91 15.286 0.961 -2.824 1.00 0.00 C ATOM 1291 CG LEU A 91 13.919 0.278 -2.851 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.276 0.317 -1.473 1.00 0.00 C ATOM 1293 CD2 LEU A 91 13.013 0.937 -3.882 1.00 0.00 C ATOM 0 H LEU A 91 15.752 -1.317 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 91 15.761 1.169 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.811 0.644 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.131 2.037 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 91 14.061 -0.765 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.304 -0.174 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.916 -0.201 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.147 1.353 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.044 0.438 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.878 1.988 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.467 0.857 -4.870 1.00 0.00 H new ATOM 1305 N ARG A 92 18.380 0.609 -2.985 1.00 0.00 N ATOM 1306 CA ARG A 92 19.725 1.076 -2.671 1.00 0.00 C ATOM 1307 C ARG A 92 20.578 1.163 -3.933 1.00 0.00 C ATOM 1308 O ARG A 92 21.385 2.079 -4.087 1.00 0.00 O ATOM 1309 CB ARG A 92 20.389 0.143 -1.657 1.00 0.00 C ATOM 1310 CG ARG A 92 19.673 0.091 -0.317 1.00 0.00 C ATOM 1311 CD ARG A 92 20.252 -0.990 0.582 1.00 0.00 C ATOM 1312 NE ARG A 92 20.007 -0.715 1.996 1.00 0.00 N ATOM 1313 CZ ARG A 92 20.609 0.258 2.671 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.488 1.044 2.065 1.00 0.00 N ATOM 1315 NH2 ARG A 92 20.333 0.445 3.955 1.00 0.00 N ATOM 0 H ARG A 92 18.127 -0.275 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 92 19.644 2.073 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.432 -0.863 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.418 0.467 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.754 1.059 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.611 -0.098 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.815 -1.953 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 92 21.325 -1.069 0.409 1.00 0.00 H new ATOM 0 HE ARG A 92 19.337 -1.302 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.703 0.902 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.949 1.790 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 92 19.658 -0.159 4.425 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.796 1.192 4.473 1.00 0.00 H new ATOM 1329 N ASN A 93 20.394 0.203 -4.833 1.00 0.00 N ATOM 1330 CA ASN A 93 21.148 0.170 -6.081 1.00 0.00 C ATOM 1331 C ASN A 93 20.809 1.375 -6.953 1.00 0.00 C ATOM 1332 O ASN A 93 21.684 1.954 -7.597 1.00 0.00 O ATOM 1333 CB ASN A 93 20.855 -1.124 -6.844 1.00 0.00 C ATOM 1334 CG ASN A 93 21.746 -2.269 -6.403 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.832 -2.471 -6.947 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.289 -3.026 -5.412 1.00 0.00 N ATOM 0 H ASN A 93 19.729 -0.563 -4.722 1.00 0.00 H new ATOM 0 HA ASN A 93 22.210 0.208 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.811 -1.402 -6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 93 20.991 -0.952 -7.912 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.844 -3.812 -5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.383 -2.822 -4.990 1.00 0.00 H new ATOM 1343 N ALA A 94 19.534 1.749 -6.967 1.00 0.00 N ATOM 1344 CA ALA A 94 19.080 2.886 -7.757 1.00 0.00 C ATOM 1345 C ALA A 94 19.899 4.134 -7.444 1.00 0.00 C ATOM 1346 O ALA A 94 20.525 4.229 -6.389 1.00 0.00 O ATOM 1347 CB ALA A 94 17.602 3.147 -7.506 1.00 0.00 C ATOM 0 H ALA A 94 18.797 1.281 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 94 19.222 2.644 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.277 3.999 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.024 2.266 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.445 3.363 -6.449 1.00 0.00 H new ATOM 1353 N GLY A 95 19.891 5.089 -8.369 1.00 0.00 N ATOM 1354 CA GLY A 95 20.638 6.318 -8.173 1.00 0.00 C ATOM 1355 C GLY A 95 19.736 7.528 -8.031 1.00 0.00 C ATOM 1356 O GLY A 95 18.631 7.427 -7.500 1.00 0.00 O ATOM 0 H GLY A 95 19.381 5.034 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.258 6.224 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.312 6.468 -9.016 1.00 0.00 H new ATOM 1360 N GLN A 96 20.210 8.676 -8.506 1.00 0.00 N ATOM 1361 CA GLN A 96 19.439 9.911 -8.426 1.00 0.00 C ATOM 1362 C GLN A 96 18.089 9.755 -9.119 1.00 0.00 C ATOM 1363 O GLN A 96 17.040 9.974 -8.513 1.00 0.00 O ATOM 1364 CB GLN A 96 20.219 11.065 -9.057 1.00 0.00 C ATOM 1365 CG GLN A 96 19.909 12.419 -8.439 1.00 0.00 C ATOM 1366 CD GLN A 96 21.087 13.371 -8.497 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.816 13.415 -9.488 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.279 14.141 -7.432 1.00 0.00 N ATOM 0 H GLN A 96 21.123 8.776 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 96 19.263 10.133 -7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.286 10.867 -8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.997 11.102 -10.123 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.061 12.865 -8.958 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.610 12.280 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.650 14.071 -6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.056 14.802 -7.414 1.00 0.00 H new ATOM 1377 N VAL A 97 18.123 9.377 -10.393 1.00 0.00 N ATOM 1378 CA VAL A 97 16.903 9.192 -11.168 1.00 0.00 C ATOM 1379 C VAL A 97 16.275 7.831 -10.888 1.00 0.00 C ATOM 1380 O VAL A 97 16.758 6.803 -11.362 1.00 0.00 O ATOM 1381 CB VAL A 97 17.173 9.319 -12.679 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.902 9.056 -13.473 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.741 10.692 -13.005 1.00 0.00 C ATOM 0 H VAL A 97 18.983 9.193 -10.910 1.00 0.00 H new ATOM 0 HA VAL A 97 16.212 9.978 -10.863 1.00 0.00 H new ATOM 0 HB VAL A 97 17.911 8.569 -12.963 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.112 9.150 -14.538 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.543 8.049 -13.262 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.139 9.780 -13.188 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.926 10.764 -14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 97 17.028 11.461 -12.707 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.677 10.836 -12.465 1.00 0.00 H new ATOM 1393 N VAL A 98 15.194 7.832 -10.115 1.00 0.00 N ATOM 1394 CA VAL A 98 14.497 6.598 -9.772 1.00 0.00 C ATOM 1395 C VAL A 98 13.054 6.628 -10.260 1.00 0.00 C ATOM 1396 O VAL A 98 12.220 7.359 -9.725 1.00 0.00 O ATOM 1397 CB VAL A 98 14.508 6.351 -8.252 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.749 5.078 -7.912 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.937 6.284 -7.734 1.00 0.00 C ATOM 0 H VAL A 98 14.781 8.674 -9.714 1.00 0.00 H new ATOM 0 HA VAL A 98 15.029 5.786 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 98 14.007 7.186 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.768 4.920 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.716 5.170 -8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.218 4.230 -8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.926 6.109 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.466 5.469 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.444 7.226 -7.943 1.00 0.00 H new ATOM 1409 N HIS A 99 12.763 5.827 -11.281 1.00 0.00 N ATOM 1410 CA HIS A 99 11.419 5.760 -11.842 1.00 0.00 C ATOM 1411 C HIS A 99 10.625 4.618 -11.215 1.00 0.00 C ATOM 1412 O HIS A 99 10.776 3.458 -11.601 1.00 0.00 O ATOM 1413 CB HIS A 99 11.484 5.579 -13.359 1.00 0.00 C ATOM 1414 CG HIS A 99 11.762 6.849 -14.102 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.897 7.045 -14.860 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.043 7.992 -14.202 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.866 8.253 -15.392 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.751 8.849 -15.009 1.00 0.00 N ATOM 0 H HIS A 99 13.441 5.215 -11.736 1.00 0.00 H new ATOM 0 HA HIS A 99 10.912 6.698 -11.618 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.260 4.851 -13.597 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.539 5.163 -13.708 1.00 0.00 H new ATOM 0 HD1 HIS A 99 13.644 6.363 -14.990 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.090 8.193 -13.734 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.624 8.681 -16.032 1.00 0.00 H new ATOM 1427 N LEU A 100 9.779 4.953 -10.247 1.00 0.00 N ATOM 1428 CA LEU A 100 8.961 3.955 -9.566 1.00 0.00 C ATOM 1429 C LEU A 100 7.720 3.617 -10.386 1.00 0.00 C ATOM 1430 O LEU A 100 6.961 4.504 -10.779 1.00 0.00 O ATOM 1431 CB LEU A 100 8.550 4.462 -8.183 1.00 0.00 C ATOM 1432 CG LEU A 100 8.385 3.395 -7.099 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.420 2.313 -7.559 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.733 2.791 -6.735 1.00 0.00 C ATOM 0 H LEU A 100 9.641 5.908 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 100 9.556 3.049 -9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.296 5.182 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.608 5.001 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 100 7.970 3.869 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.315 1.562 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.447 2.758 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.806 1.842 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.596 2.034 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.176 2.332 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.394 3.574 -6.363 1.00 0.00 H new ATOM 1446 N THR A 101 7.516 2.328 -10.639 1.00 0.00 N ATOM 1447 CA THR A 101 6.367 1.872 -11.410 1.00 0.00 C ATOM 1448 C THR A 101 5.279 1.315 -10.499 1.00 0.00 C ATOM 1449 O THR A 101 5.408 0.212 -9.965 1.00 0.00 O ATOM 1450 CB THR A 101 6.768 0.792 -12.432 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.970 1.179 -13.107 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.659 0.569 -13.448 1.00 0.00 C ATOM 0 H THR A 101 8.133 1.581 -10.320 1.00 0.00 H new ATOM 0 HA THR A 101 5.981 2.740 -11.944 1.00 0.00 H new ATOM 0 HB THR A 101 6.938 -0.141 -11.894 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.219 0.486 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.966 -0.198 -14.159 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.754 0.246 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.461 1.499 -13.981 1.00 0.00 H new ATOM 1460 N LEU A 102 4.209 2.082 -10.325 1.00 0.00 N ATOM 1461 CA LEU A 102 3.097 1.664 -9.477 1.00 0.00 C ATOM 1462 C LEU A 102 1.804 1.572 -10.281 1.00 0.00 C ATOM 1463 O LEU A 102 1.713 2.098 -11.391 1.00 0.00 O ATOM 1464 CB LEU A 102 2.920 2.642 -8.315 1.00 0.00 C ATOM 1465 CG LEU A 102 4.207 3.206 -7.710 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.710 4.384 -8.529 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.980 3.618 -6.263 1.00 0.00 C ATOM 0 H LEU A 102 4.087 2.997 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 102 3.327 0.676 -9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.308 3.476 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.361 2.140 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 102 4.968 2.425 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.626 4.772 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.912 4.058 -9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.953 5.168 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.906 4.017 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.204 4.382 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.667 2.750 -5.682 1.00 0.00 H new ATOM 1479 N VAL A 103 0.806 0.904 -9.713 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.483 0.746 -10.375 1.00 0.00 C ATOM 1481 C VAL A 103 -1.633 0.927 -9.390 1.00 0.00 C ATOM 1482 O VAL A 103 -1.806 0.128 -8.470 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.607 -0.636 -11.043 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.066 -1.722 -10.126 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.053 -0.918 -11.421 1.00 0.00 C ATOM 0 H VAL A 103 0.865 0.463 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.540 1.518 -11.142 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.011 -0.634 -11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.162 -2.692 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.984 -1.526 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.632 -1.727 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.121 -1.899 -11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.673 -0.902 -10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.402 -0.156 -12.118 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.415 1.982 -9.589 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.548 2.269 -8.718 1.00 0.00 C ATOM 1497 C ARG A 104 -4.868 2.054 -9.453 1.00 0.00 C ATOM 1498 O ARG A 104 -4.911 2.055 -10.684 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.469 3.706 -8.199 1.00 0.00 C ATOM 1500 CG ARG A 104 -3.582 4.755 -9.292 1.00 0.00 C ATOM 1501 CD ARG A 104 -3.688 6.156 -8.710 1.00 0.00 C ATOM 1502 NE ARG A 104 -4.902 6.329 -7.917 1.00 0.00 N ATOM 1503 CZ ARG A 104 -5.296 7.497 -7.422 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -4.577 8.590 -7.638 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -6.413 7.574 -6.710 1.00 0.00 N ATOM 0 H ARG A 104 -2.285 2.653 -10.346 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.507 1.582 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.265 3.865 -7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.524 3.842 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.712 4.696 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -4.458 4.548 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -2.816 6.357 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.676 6.886 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 104 -5.479 5.508 -7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.718 8.536 -8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.883 9.485 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.970 6.736 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.715 8.471 -6.330 1.00 0.00 H new ATOM 1519 N ARG A 105 -5.941 1.870 -8.692 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.261 1.653 -9.271 1.00 0.00 C ATOM 1521 C ARG A 105 -7.830 2.953 -9.832 1.00 0.00 C ATOM 1522 O ARG A 105 -8.052 3.915 -9.096 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.214 1.078 -8.221 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.587 0.728 -8.771 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.204 -0.444 -8.024 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.658 -0.472 -8.156 1.00 0.00 N ATOM 1527 CZ ARG A 105 -12.391 -1.566 -7.978 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -11.808 -2.714 -7.661 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.710 -1.512 -8.116 1.00 0.00 N ATOM 0 H ARG A 105 -5.922 1.867 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.158 0.939 -10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.767 0.183 -7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.329 1.800 -7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.243 1.595 -8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.504 0.483 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.787 -1.376 -8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.937 -0.383 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.137 0.395 -8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.795 -2.759 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.373 -3.552 -7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.162 -0.630 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.272 -2.352 -7.979 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.062 2.975 -11.140 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.605 4.156 -11.801 1.00 0.00 C ATOM 1545 C LYS A 106 -9.884 4.625 -11.114 1.00 0.00 C ATOM 1546 O LYS A 106 -10.391 3.965 -10.206 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.886 3.856 -13.275 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.662 3.395 -14.046 1.00 0.00 C ATOM 1549 CD LYS A 106 -8.041 2.483 -15.201 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.066 2.617 -16.361 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.573 1.951 -17.592 1.00 0.00 N ATOM 0 H LYS A 106 -7.882 2.188 -11.764 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.864 4.953 -11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.657 3.088 -13.340 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.288 4.752 -13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.123 4.262 -14.428 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.984 2.869 -13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.060 1.449 -14.858 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.048 2.724 -15.541 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.889 3.673 -16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.107 2.181 -16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.880 2.065 -18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.718 0.938 -17.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.476 2.384 -17.874 1.00 0.00 H new