USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 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 27 GLN : amide:sc= 0.14 K(o=-0.061,f=-2.9!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.202 X(o=-0.061,f=0.092) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 53:sc= 0.955 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 22:sc= 0.932 USER MOD Single : A 57 SER OG : rot -103:sc= 0.677 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.11 K(o=-5.1,f=-2.7) USER MOD Single : A 64 HIS : no HD1:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 66 GLN : amide:sc= -2.02 K(o=-2,f=-3.3!) USER MOD Single : A 68 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.4!) USER MOD Single : A 80 GLN : amide:sc= -0.0621 K(o=-0.062,f=-1.6!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0.379 K(o=0.38,f=-2.3!) USER MOD Single : A 93 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 96 GLN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -2.03! C(o=-2!,f=-2.9!) USER MOD Single : A 101 THR OG1 : rot 88:sc= -0.813 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.407 -2.332 -14.689 1.00 0.00 N ATOM 119 CA LEU A 13 -9.073 -1.618 -13.605 1.00 0.00 C ATOM 120 C LEU A 13 -8.140 -0.589 -12.977 1.00 0.00 C ATOM 121 O LEU A 13 -8.568 0.501 -12.593 1.00 0.00 O ATOM 122 CB LEU A 13 -9.556 -2.604 -12.540 1.00 0.00 C ATOM 123 CG LEU A 13 -10.804 -3.415 -12.892 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.991 -2.493 -13.127 1.00 0.00 C ATOM 125 CD2 LEU A 13 -10.548 -4.282 -14.116 1.00 0.00 C ATOM 0 HA LEU A 13 -9.933 -1.094 -14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.745 -3.299 -12.323 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.755 -2.049 -11.623 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.039 -4.068 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.870 -3.088 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.188 -1.916 -12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.767 -1.814 -13.950 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.446 -4.852 -14.352 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.288 -3.648 -14.963 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.726 -4.968 -13.910 1.00 0.00 H new ATOM 137 N PHE A 14 -6.862 -0.940 -12.875 1.00 0.00 N ATOM 138 CA PHE A 14 -5.867 -0.046 -12.294 1.00 0.00 C ATOM 139 C PHE A 14 -5.056 0.647 -13.385 1.00 0.00 C ATOM 140 O PHE A 14 -5.196 0.338 -14.567 1.00 0.00 O ATOM 141 CB PHE A 14 -4.934 -0.823 -11.364 1.00 0.00 C ATOM 142 CG PHE A 14 -5.640 -1.854 -10.531 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.000 -3.077 -11.075 1.00 0.00 C ATOM 144 CD2 PHE A 14 -5.944 -1.602 -9.203 1.00 0.00 C ATOM 145 CE1 PHE A 14 -6.651 -4.027 -10.311 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.594 -2.548 -8.433 1.00 0.00 C ATOM 147 CZ PHE A 14 -6.947 -3.762 -8.988 1.00 0.00 C ATOM 0 H PHE A 14 -6.491 -1.837 -13.187 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.391 0.716 -11.717 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.165 -1.314 -11.961 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.425 -0.121 -10.704 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.769 -3.290 -12.108 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.670 -0.654 -8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.928 -4.975 -10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.825 -2.338 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.454 -4.504 -8.388 1.00 0.00 H new ATOM 157 N GLU A 15 -4.208 1.586 -12.977 1.00 0.00 N ATOM 158 CA GLU A 15 -3.375 2.323 -13.919 1.00 0.00 C ATOM 159 C GLU A 15 -1.944 2.443 -13.402 1.00 0.00 C ATOM 160 O GLU A 15 -1.715 2.843 -12.260 1.00 0.00 O ATOM 161 CB GLU A 15 -3.957 3.716 -14.167 1.00 0.00 C ATOM 162 CG GLU A 15 -4.166 4.524 -12.898 1.00 0.00 C ATOM 163 CD GLU A 15 -4.045 6.017 -13.130 1.00 0.00 C ATOM 164 OE1 GLU A 15 -3.181 6.425 -13.933 1.00 0.00 O ATOM 165 OE2 GLU A 15 -4.816 6.778 -12.507 1.00 0.00 O ATOM 0 H GLU A 15 -4.080 1.854 -12.001 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.359 1.771 -14.859 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.291 4.266 -14.832 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.911 3.615 -14.684 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.152 4.302 -12.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.434 4.216 -12.151 1.00 0.00 H new ATOM 172 N THR A 16 -0.983 2.093 -14.252 1.00 0.00 N ATOM 173 CA THR A 16 0.426 2.160 -13.882 1.00 0.00 C ATOM 174 C THR A 16 1.047 3.482 -14.318 1.00 0.00 C ATOM 175 O THR A 16 0.765 3.982 -15.406 1.00 0.00 O ATOM 176 CB THR A 16 1.225 1.000 -14.504 1.00 0.00 C ATOM 177 OG1 THR A 16 0.670 -0.254 -14.093 1.00 0.00 O ATOM 178 CG2 THR A 16 2.689 1.071 -14.096 1.00 0.00 C ATOM 0 H THR A 16 -1.155 1.760 -15.201 1.00 0.00 H new ATOM 0 HA THR A 16 0.472 2.082 -12.796 1.00 0.00 H new ATOM 0 HB THR A 16 1.162 1.086 -15.589 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.183 -0.986 -14.494 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.233 0.241 -14.547 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.116 2.014 -14.437 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.768 1.009 -13.011 1.00 0.00 H new ATOM 186 N TYR A 17 1.894 4.043 -13.462 1.00 0.00 N ATOM 187 CA TYR A 17 2.554 5.308 -13.758 1.00 0.00 C ATOM 188 C TYR A 17 3.975 5.325 -13.202 1.00 0.00 C ATOM 189 O TYR A 17 4.245 4.761 -12.143 1.00 0.00 O ATOM 190 CB TYR A 17 1.753 6.474 -13.177 1.00 0.00 C ATOM 191 CG TYR A 17 1.539 6.376 -11.683 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.493 5.625 -11.159 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.381 7.035 -10.796 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.293 5.533 -9.795 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.189 6.947 -9.430 1.00 0.00 C ATOM 196 CZ TYR A 17 1.144 6.196 -8.935 1.00 0.00 C ATOM 197 OH TYR A 17 0.949 6.107 -7.576 1.00 0.00 O ATOM 0 H TYR A 17 2.139 3.641 -12.557 1.00 0.00 H new ATOM 0 HA TYR A 17 2.606 5.416 -14.841 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.270 7.407 -13.401 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.783 6.520 -13.672 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.175 5.105 -11.830 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.199 7.626 -11.180 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.525 4.946 -9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.854 7.464 -8.754 1.00 0.00 H new ATOM 0 HH TYR A 17 0.906 5.164 -7.313 1.00 0.00 H new ATOM 207 N ASN A 18 4.879 5.977 -13.926 1.00 0.00 N ATOM 208 CA ASN A 18 6.272 6.069 -13.506 1.00 0.00 C ATOM 209 C ASN A 18 6.527 7.365 -12.743 1.00 0.00 C ATOM 210 O ASN A 18 6.067 8.435 -13.144 1.00 0.00 O ATOM 211 CB ASN A 18 7.199 5.989 -14.721 1.00 0.00 C ATOM 212 CG ASN A 18 6.779 4.907 -15.698 1.00 0.00 C ATOM 213 OD1 ASN A 18 6.490 5.185 -16.862 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.744 3.666 -15.227 1.00 0.00 N ATOM 0 H ASN A 18 4.672 6.449 -14.806 1.00 0.00 H new ATOM 0 HA ASN A 18 6.481 5.230 -12.842 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.208 6.952 -15.231 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.218 5.796 -14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.469 2.896 -15.837 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.992 3.482 -14.255 1.00 0.00 H new ATOM 221 N VAL A 19 7.263 7.263 -11.641 1.00 0.00 N ATOM 222 CA VAL A 19 7.580 8.427 -10.822 1.00 0.00 C ATOM 223 C VAL A 19 9.088 8.612 -10.692 1.00 0.00 C ATOM 224 O VAL A 19 9.778 7.773 -10.116 1.00 0.00 O ATOM 225 CB VAL A 19 6.965 8.308 -9.415 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.907 9.670 -8.741 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.581 7.681 -9.490 1.00 0.00 C ATOM 0 H VAL A 19 7.651 6.386 -11.295 1.00 0.00 H new ATOM 0 HA VAL A 19 7.152 9.294 -11.325 1.00 0.00 H new ATOM 0 HB VAL A 19 7.600 7.658 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.470 9.566 -7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.915 10.076 -8.653 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.295 10.346 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.161 7.605 -8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.933 8.302 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.656 6.686 -9.929 1.00 0.00 H new ATOM 237 N GLU A 20 9.591 9.718 -11.231 1.00 0.00 N ATOM 238 CA GLU A 20 11.018 10.014 -11.175 1.00 0.00 C ATOM 239 C GLU A 20 11.358 10.820 -9.925 1.00 0.00 C ATOM 240 O GLU A 20 11.124 12.028 -9.869 1.00 0.00 O ATOM 241 CB GLU A 20 11.452 10.783 -12.425 1.00 0.00 C ATOM 242 CG GLU A 20 12.903 11.231 -12.390 1.00 0.00 C ATOM 243 CD GLU A 20 13.145 12.347 -11.393 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.445 13.378 -11.473 1.00 0.00 O ATOM 245 OE2 GLU A 20 14.035 12.189 -10.531 1.00 0.00 O ATOM 0 H GLU A 20 9.032 10.423 -11.711 1.00 0.00 H new ATOM 0 HA GLU A 20 11.558 9.068 -11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.296 10.154 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.813 11.658 -12.543 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.536 10.380 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.200 11.566 -13.384 1.00 0.00 H new ATOM 252 N LEU A 21 11.910 10.143 -8.924 1.00 0.00 N ATOM 253 CA LEU A 21 12.282 10.795 -7.673 1.00 0.00 C ATOM 254 C LEU A 21 13.734 11.260 -7.713 1.00 0.00 C ATOM 255 O LEU A 21 14.615 10.542 -8.187 1.00 0.00 O ATOM 256 CB LEU A 21 12.072 9.841 -6.496 1.00 0.00 C ATOM 257 CG LEU A 21 10.676 9.231 -6.368 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.663 8.148 -5.299 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.650 10.308 -6.050 1.00 0.00 C ATOM 0 H LEU A 21 12.110 9.143 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 21 11.643 11.669 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.795 9.030 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.298 10.377 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 21 10.411 8.775 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.661 7.725 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.369 7.362 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.949 8.580 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.662 9.855 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.911 10.793 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.640 11.049 -6.850 1.00 0.00 H new ATOM 271 N VAL A 22 13.978 12.466 -7.210 1.00 0.00 N ATOM 272 CA VAL A 22 15.324 13.026 -7.184 1.00 0.00 C ATOM 273 C VAL A 22 16.016 12.735 -5.858 1.00 0.00 C ATOM 274 O VAL A 22 15.444 12.945 -4.788 1.00 0.00 O ATOM 275 CB VAL A 22 15.303 14.549 -7.416 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.680 15.262 -6.225 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.708 15.067 -7.682 1.00 0.00 C ATOM 0 H VAL A 22 13.261 13.074 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 22 15.880 12.550 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 22 14.692 14.757 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.674 16.337 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.657 14.912 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.262 15.049 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.674 16.144 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.345 14.849 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.114 14.580 -8.569 1.00 0.00 H new ATOM 287 N ARG A 23 17.251 12.249 -5.935 1.00 0.00 N ATOM 288 CA ARG A 23 18.021 11.928 -4.739 1.00 0.00 C ATOM 289 C ARG A 23 18.997 13.051 -4.403 1.00 0.00 C ATOM 290 O ARG A 23 20.008 13.235 -5.082 1.00 0.00 O ATOM 291 CB ARG A 23 18.785 10.617 -4.936 1.00 0.00 C ATOM 292 CG ARG A 23 17.914 9.473 -5.430 1.00 0.00 C ATOM 293 CD ARG A 23 17.351 8.662 -4.273 1.00 0.00 C ATOM 294 NE ARG A 23 18.406 8.072 -3.454 1.00 0.00 N ATOM 295 CZ ARG A 23 18.236 6.987 -2.706 1.00 0.00 C ATOM 296 NH1 ARG A 23 17.059 6.378 -2.674 1.00 0.00 N ATOM 297 NH2 ARG A 23 19.245 6.510 -1.988 1.00 0.00 N ATOM 0 H ARG A 23 17.739 12.069 -6.812 1.00 0.00 H new ATOM 0 HA ARG A 23 17.324 11.814 -3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.593 10.781 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.246 10.330 -3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 23 17.095 9.870 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 23 18.499 8.823 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 23 16.725 9.303 -3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.710 7.871 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 23 19.324 8.517 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.281 6.742 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.931 5.545 -2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 23 20.152 6.976 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.114 5.677 -1.414 1.00 0.00 H new ATOM 311 N LYS A 24 18.687 13.801 -3.351 1.00 0.00 N ATOM 312 CA LYS A 24 19.536 14.907 -2.922 1.00 0.00 C ATOM 313 C LYS A 24 20.948 14.421 -2.613 1.00 0.00 C ATOM 314 O LYS A 24 21.200 13.217 -2.545 1.00 0.00 O ATOM 315 CB LYS A 24 18.938 15.588 -1.689 1.00 0.00 C ATOM 316 CG LYS A 24 17.860 16.606 -2.019 1.00 0.00 C ATOM 317 CD LYS A 24 17.557 17.502 -0.829 1.00 0.00 C ATOM 318 CE LYS A 24 16.702 18.693 -1.233 1.00 0.00 C ATOM 319 NZ LYS A 24 16.262 19.485 -0.051 1.00 0.00 N ATOM 0 H LYS A 24 17.854 13.663 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 24 19.589 15.628 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.518 14.827 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.736 16.083 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.181 17.216 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.951 16.089 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.041 16.926 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.490 17.855 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.268 19.334 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.828 18.343 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.682 20.288 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.701 18.881 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.096 19.840 0.459 1.00 0.00 H new ATOM 333 N ASP A 25 21.866 15.363 -2.425 1.00 0.00 N ATOM 334 CA ASP A 25 23.252 15.030 -2.120 1.00 0.00 C ATOM 335 C ASP A 25 23.346 14.221 -0.830 1.00 0.00 C ATOM 336 O ASP A 25 23.552 14.776 0.249 1.00 0.00 O ATOM 337 CB ASP A 25 24.090 16.304 -2.000 1.00 0.00 C ATOM 338 CG ASP A 25 23.743 17.328 -3.063 1.00 0.00 C ATOM 339 OD1 ASP A 25 23.495 16.923 -4.219 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.718 18.533 -2.740 1.00 0.00 O ATOM 0 H ASP A 25 21.675 16.363 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 25 23.642 14.423 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.939 16.743 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 25 25.147 16.049 -2.077 1.00 0.00 H new ATOM 345 N GLY A 26 23.193 12.906 -0.949 1.00 0.00 N ATOM 346 CA GLY A 26 23.262 12.043 0.215 1.00 0.00 C ATOM 347 C GLY A 26 21.914 11.863 0.885 1.00 0.00 C ATOM 348 O GLY A 26 21.810 11.924 2.109 1.00 0.00 O ATOM 0 H GLY A 26 23.022 12.423 -1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.650 11.068 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.968 12.462 0.932 1.00 0.00 H new ATOM 352 N GLN A 27 20.880 11.642 0.079 1.00 0.00 N ATOM 353 CA GLN A 27 19.531 11.455 0.602 1.00 0.00 C ATOM 354 C GLN A 27 18.999 10.070 0.252 1.00 0.00 C ATOM 355 O GLN A 27 19.397 9.476 -0.750 1.00 0.00 O ATOM 356 CB GLN A 27 18.594 12.530 0.049 1.00 0.00 C ATOM 357 CG GLN A 27 17.149 12.363 0.491 1.00 0.00 C ATOM 358 CD GLN A 27 16.187 13.193 -0.336 1.00 0.00 C ATOM 359 OE1 GLN A 27 16.243 13.189 -1.566 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.295 13.911 0.338 1.00 0.00 N ATOM 0 H GLN A 27 20.950 11.588 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 27 19.573 11.544 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.951 13.510 0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.637 12.512 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.870 11.312 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.059 12.646 1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.284 13.885 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.621 14.489 -0.164 1.00 0.00 H new ATOM 369 N SER A 28 18.096 9.561 1.084 1.00 0.00 N ATOM 370 CA SER A 28 17.511 8.243 0.864 1.00 0.00 C ATOM 371 C SER A 28 16.107 8.362 0.280 1.00 0.00 C ATOM 372 O SER A 28 15.408 9.351 0.509 1.00 0.00 O ATOM 373 CB SER A 28 17.465 7.457 2.176 1.00 0.00 C ATOM 374 OG SER A 28 18.770 7.132 2.622 1.00 0.00 O ATOM 0 H SER A 28 17.754 10.041 1.916 1.00 0.00 H new ATOM 0 HA SER A 28 18.138 7.709 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 28 16.953 8.045 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.887 6.543 2.036 1.00 0.00 H new ATOM 0 HG SER A 28 18.713 6.632 3.463 1.00 0.00 H new ATOM 380 N LEU A 29 15.700 7.349 -0.476 1.00 0.00 N ATOM 381 CA LEU A 29 14.379 7.338 -1.095 1.00 0.00 C ATOM 382 C LEU A 29 13.304 7.743 -0.091 1.00 0.00 C ATOM 383 O LEU A 29 12.611 8.742 -0.277 1.00 0.00 O ATOM 384 CB LEU A 29 14.069 5.950 -1.659 1.00 0.00 C ATOM 385 CG LEU A 29 13.026 5.897 -2.776 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.566 6.543 -4.042 1.00 0.00 C ATOM 387 CD2 LEU A 29 12.607 4.459 -3.046 1.00 0.00 C ATOM 0 H LEU A 29 16.266 6.524 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 29 14.381 8.062 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.996 5.517 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.729 5.315 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 29 12.148 6.456 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.810 6.496 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.816 7.585 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.460 6.012 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.864 4.440 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.478 3.877 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.178 4.029 -2.141 1.00 0.00 H new ATOM 399 N GLY A 30 13.173 6.960 0.976 1.00 0.00 N ATOM 400 CA GLY A 30 12.182 7.254 1.994 1.00 0.00 C ATOM 401 C GLY A 30 10.845 6.599 1.710 1.00 0.00 C ATOM 402 O GLY A 30 9.800 7.245 1.791 1.00 0.00 O ATOM 0 H GLY A 30 13.736 6.128 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.550 6.916 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.047 8.333 2.063 1.00 0.00 H new ATOM 406 N ILE A 31 10.877 5.314 1.373 1.00 0.00 N ATOM 407 CA ILE A 31 9.659 4.572 1.075 1.00 0.00 C ATOM 408 C ILE A 31 9.677 3.197 1.733 1.00 0.00 C ATOM 409 O ILE A 31 10.567 2.386 1.476 1.00 0.00 O ATOM 410 CB ILE A 31 9.462 4.400 -0.443 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.387 5.766 -1.128 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.206 3.590 -0.726 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.439 5.689 -2.638 1.00 0.00 C ATOM 0 H ILE A 31 11.734 4.765 1.300 1.00 0.00 H new ATOM 0 HA ILE A 31 8.829 5.153 1.478 1.00 0.00 H new ATOM 0 HB ILE A 31 10.318 3.859 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.464 6.263 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.211 6.386 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.081 3.477 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.296 2.606 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.340 4.106 -0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.381 6.694 -3.056 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.374 5.221 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.599 5.096 -3.001 1.00 0.00 H new ATOM 425 N ARG A 32 8.687 2.940 2.582 1.00 0.00 N ATOM 426 CA ARG A 32 8.589 1.662 3.277 1.00 0.00 C ATOM 427 C ARG A 32 7.670 0.704 2.526 1.00 0.00 C ATOM 428 O ARG A 32 6.540 1.053 2.182 1.00 0.00 O ATOM 429 CB ARG A 32 8.072 1.871 4.701 1.00 0.00 C ATOM 430 CG ARG A 32 9.031 2.643 5.591 1.00 0.00 C ATOM 431 CD ARG A 32 10.064 1.725 6.226 1.00 0.00 C ATOM 432 NE ARG A 32 11.256 2.454 6.653 1.00 0.00 N ATOM 433 CZ ARG A 32 12.423 1.872 6.903 1.00 0.00 C ATOM 434 NH1 ARG A 32 12.555 0.559 6.770 1.00 0.00 N ATOM 435 NH2 ARG A 32 13.462 2.603 7.287 1.00 0.00 N ATOM 0 H ARG A 32 7.942 3.600 2.805 1.00 0.00 H new ATOM 0 HA ARG A 32 9.586 1.223 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.121 2.403 4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.874 0.899 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.536 3.410 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.471 3.157 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.621 1.220 7.084 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.348 0.951 5.513 1.00 0.00 H new ATOM 0 HE ARG A 32 11.188 3.466 6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.759 -0.006 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.453 0.115 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.365 3.613 7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.358 2.155 7.479 1.00 0.00 H new ATOM 449 N ILE A 33 8.163 -0.504 2.273 1.00 0.00 N ATOM 450 CA ILE A 33 7.386 -1.512 1.563 1.00 0.00 C ATOM 451 C ILE A 33 6.899 -2.601 2.513 1.00 0.00 C ATOM 452 O ILE A 33 7.266 -2.625 3.688 1.00 0.00 O ATOM 453 CB ILE A 33 8.206 -2.162 0.433 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.438 -2.866 1.006 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.616 -1.116 -0.593 1.00 0.00 C ATOM 456 CD1 ILE A 33 9.895 -4.050 0.183 1.00 0.00 C ATOM 0 H ILE A 33 9.097 -0.808 2.549 1.00 0.00 H new ATOM 0 HA ILE A 33 6.527 -1.000 1.130 1.00 0.00 H new ATOM 0 HB ILE A 33 7.584 -2.907 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.255 -2.148 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.216 -3.202 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.195 -1.591 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.725 -0.657 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.223 -0.350 -0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.772 -4.500 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.094 -4.787 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.149 -3.717 -0.823 1.00 0.00 H new ATOM 468 N VAL A 34 6.072 -3.504 1.996 1.00 0.00 N ATOM 469 CA VAL A 34 5.536 -4.598 2.797 1.00 0.00 C ATOM 470 C VAL A 34 5.219 -5.811 1.930 1.00 0.00 C ATOM 471 O VAL A 34 4.841 -5.673 0.767 1.00 0.00 O ATOM 472 CB VAL A 34 4.262 -4.172 3.550 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.070 -4.137 2.605 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.997 -5.105 4.721 1.00 0.00 C ATOM 0 H VAL A 34 5.758 -3.499 1.025 1.00 0.00 H new ATOM 0 HA VAL A 34 6.305 -4.864 3.522 1.00 0.00 H new ATOM 0 HB VAL A 34 4.413 -3.167 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.179 -3.834 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.262 -3.424 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.914 -5.128 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.093 -4.788 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.866 -6.123 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.841 -5.074 5.409 1.00 0.00 H new ATOM 484 N GLY A 35 5.376 -7.000 2.504 1.00 0.00 N ATOM 485 CA GLY A 35 5.102 -8.220 1.768 1.00 0.00 C ATOM 486 C GLY A 35 3.703 -8.746 2.018 1.00 0.00 C ATOM 487 O GLY A 35 3.412 -9.272 3.093 1.00 0.00 O ATOM 0 H GLY A 35 5.688 -7.140 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.232 -8.034 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.829 -8.982 2.050 1.00 0.00 H new ATOM 491 N TYR A 36 2.832 -8.602 1.025 1.00 0.00 N ATOM 492 CA TYR A 36 1.454 -9.063 1.144 1.00 0.00 C ATOM 493 C TYR A 36 1.331 -10.526 0.727 1.00 0.00 C ATOM 494 O TYR A 36 2.017 -10.983 -0.187 1.00 0.00 O ATOM 495 CB TYR A 36 0.529 -8.197 0.287 1.00 0.00 C ATOM 496 CG TYR A 36 -0.112 -7.059 1.047 1.00 0.00 C ATOM 497 CD1 TYR A 36 0.557 -5.854 1.226 1.00 0.00 C ATOM 498 CD2 TYR A 36 -1.385 -7.188 1.588 1.00 0.00 C ATOM 499 CE1 TYR A 36 -0.024 -4.811 1.921 1.00 0.00 C ATOM 500 CE2 TYR A 36 -1.974 -6.150 2.284 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.290 -4.963 2.448 1.00 0.00 C ATOM 502 OH TYR A 36 -1.873 -3.927 3.141 1.00 0.00 O ATOM 0 H TYR A 36 3.056 -8.170 0.129 1.00 0.00 H new ATOM 0 HA TYR A 36 1.157 -8.976 2.189 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.098 -7.790 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.254 -8.826 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.548 -5.731 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.924 -8.116 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.510 -3.881 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.965 -6.267 2.698 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.765 -4.197 3.444 1.00 0.00 H new ATOM 624 N SER A 46 -1.574 -10.449 -3.286 1.00 0.00 N ATOM 625 CA SER A 46 -0.200 -10.836 -2.988 1.00 0.00 C ATOM 626 C SER A 46 0.788 -9.970 -3.763 1.00 0.00 C ATOM 627 O SER A 46 0.757 -9.920 -4.992 1.00 0.00 O ATOM 628 CB SER A 46 0.022 -12.311 -3.328 1.00 0.00 C ATOM 629 OG SER A 46 1.404 -12.617 -3.391 1.00 0.00 O ATOM 0 HA SER A 46 -0.030 -10.687 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.458 -12.937 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.449 -12.542 -4.283 1.00 0.00 H new ATOM 0 HG SER A 46 1.519 -13.566 -3.608 1.00 0.00 H new ATOM 635 N GLY A 47 1.666 -9.287 -3.034 1.00 0.00 N ATOM 636 CA GLY A 47 2.651 -8.431 -3.668 1.00 0.00 C ATOM 637 C GLY A 47 3.232 -7.408 -2.712 1.00 0.00 C ATOM 638 O GLY A 47 3.094 -7.538 -1.495 1.00 0.00 O ATOM 0 H GLY A 47 1.712 -9.312 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.456 -9.045 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.191 -7.916 -4.511 1.00 0.00 H new ATOM 642 N ILE A 48 3.883 -6.389 -3.263 1.00 0.00 N ATOM 643 CA ILE A 48 4.487 -5.341 -2.450 1.00 0.00 C ATOM 644 C ILE A 48 3.613 -4.092 -2.426 1.00 0.00 C ATOM 645 O ILE A 48 3.074 -3.679 -3.453 1.00 0.00 O ATOM 646 CB ILE A 48 5.888 -4.963 -2.968 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.738 -6.220 -3.168 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.569 -4.004 -2.003 1.00 0.00 C ATOM 649 CD1 ILE A 48 7.130 -6.895 -1.872 1.00 0.00 C ATOM 0 H ILE A 48 4.006 -6.267 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 48 4.577 -5.739 -1.439 1.00 0.00 H new ATOM 0 HB ILE A 48 5.781 -4.463 -3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.185 -6.929 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.641 -5.955 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.558 -3.746 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.970 -3.098 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.668 -4.479 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.731 -7.778 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.710 -6.202 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.232 -7.191 -1.330 1.00 0.00 H new ATOM 661 N TYR A 49 3.478 -3.494 -1.247 1.00 0.00 N ATOM 662 CA TYR A 49 2.668 -2.292 -1.088 1.00 0.00 C ATOM 663 C TYR A 49 3.372 -1.275 -0.196 1.00 0.00 C ATOM 664 O TYR A 49 4.094 -1.640 0.733 1.00 0.00 O ATOM 665 CB TYR A 49 1.302 -2.646 -0.498 1.00 0.00 C ATOM 666 CG TYR A 49 0.451 -3.501 -1.410 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.810 -4.811 -1.701 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.711 -2.997 -1.981 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.036 -5.595 -2.535 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.492 -3.775 -2.815 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.114 -5.073 -3.088 1.00 0.00 C ATOM 672 OH TYR A 49 -1.888 -5.850 -3.919 1.00 0.00 O ATOM 0 H TYR A 49 3.919 -3.822 -0.388 1.00 0.00 H new ATOM 0 HA TYR A 49 2.526 -1.847 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.448 -3.171 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.764 -1.726 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.709 -5.224 -1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.009 -1.981 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.330 -6.611 -2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.393 -3.369 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.663 -5.333 -4.223 1.00 0.00 H new ATOM 682 N VAL A 50 3.157 0.005 -0.483 1.00 0.00 N ATOM 683 CA VAL A 50 3.769 1.077 0.293 1.00 0.00 C ATOM 684 C VAL A 50 3.177 1.145 1.696 1.00 0.00 C ATOM 685 O VAL A 50 2.077 1.663 1.894 1.00 0.00 O ATOM 686 CB VAL A 50 3.588 2.442 -0.396 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.126 3.560 0.484 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.271 2.447 -1.755 1.00 0.00 C ATOM 0 H VAL A 50 2.563 0.325 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 50 4.833 0.852 0.361 1.00 0.00 H new ATOM 0 HB VAL A 50 2.523 2.614 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.989 4.517 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.587 3.568 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.187 3.397 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.133 3.419 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.336 2.253 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.834 1.672 -2.385 1.00 0.00 H new ATOM 698 N LYS A 51 3.913 0.620 2.669 1.00 0.00 N ATOM 699 CA LYS A 51 3.464 0.622 4.056 1.00 0.00 C ATOM 700 C LYS A 51 3.435 2.040 4.617 1.00 0.00 C ATOM 701 O LYS A 51 2.491 2.427 5.306 1.00 0.00 O ATOM 702 CB LYS A 51 4.378 -0.258 4.912 1.00 0.00 C ATOM 703 CG LYS A 51 3.958 -0.335 6.369 1.00 0.00 C ATOM 704 CD LYS A 51 2.742 -1.227 6.553 1.00 0.00 C ATOM 705 CE LYS A 51 2.456 -1.484 8.024 1.00 0.00 C ATOM 706 NZ LYS A 51 1.696 -0.364 8.645 1.00 0.00 N ATOM 0 H LYS A 51 4.825 0.187 2.522 1.00 0.00 H new ATOM 0 HA LYS A 51 2.452 0.218 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.395 -1.264 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.396 0.128 4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.785 -0.718 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.735 0.666 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.873 -0.760 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.905 -2.176 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.889 -2.409 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.396 -1.625 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.521 -0.577 9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.248 0.514 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.788 -0.246 8.152 1.00 0.00 H new ATOM 720 N SER A 52 4.475 2.812 4.315 1.00 0.00 N ATOM 721 CA SER A 52 4.569 4.187 4.791 1.00 0.00 C ATOM 722 C SER A 52 5.557 4.987 3.947 1.00 0.00 C ATOM 723 O SER A 52 6.280 4.429 3.122 1.00 0.00 O ATOM 724 CB SER A 52 4.997 4.213 6.259 1.00 0.00 C ATOM 725 OG SER A 52 3.894 3.977 7.116 1.00 0.00 O ATOM 0 H SER A 52 5.263 2.508 3.743 1.00 0.00 H new ATOM 0 HA SER A 52 3.584 4.645 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.763 3.457 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.444 5.179 6.494 1.00 0.00 H new ATOM 0 HG SER A 52 3.187 3.514 6.619 1.00 0.00 H new ATOM 731 N VAL A 53 5.582 6.299 4.161 1.00 0.00 N ATOM 732 CA VAL A 53 6.482 7.177 3.422 1.00 0.00 C ATOM 733 C VAL A 53 7.210 8.132 4.360 1.00 0.00 C ATOM 734 O VAL A 53 6.626 9.095 4.859 1.00 0.00 O ATOM 735 CB VAL A 53 5.721 7.996 2.362 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.668 8.936 1.633 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.014 7.072 1.382 1.00 0.00 C ATOM 0 H VAL A 53 4.990 6.777 4.840 1.00 0.00 H new ATOM 0 HA VAL A 53 7.210 6.537 2.923 1.00 0.00 H new ATOM 0 HB VAL A 53 4.966 8.599 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.113 9.506 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.124 9.621 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.448 8.356 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.481 7.667 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.749 6.441 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.304 6.444 1.921 1.00 0.00 H new ATOM 747 N ILE A 54 8.489 7.861 4.596 1.00 0.00 N ATOM 748 CA ILE A 54 9.298 8.697 5.474 1.00 0.00 C ATOM 749 C ILE A 54 9.200 10.166 5.077 1.00 0.00 C ATOM 750 O ILE A 54 9.362 10.533 3.913 1.00 0.00 O ATOM 751 CB ILE A 54 10.778 8.270 5.452 1.00 0.00 C ATOM 752 CG1 ILE A 54 10.929 6.851 6.006 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.624 9.250 6.251 1.00 0.00 C ATOM 754 CD1 ILE A 54 10.595 5.771 5.001 1.00 0.00 C ATOM 0 H ILE A 54 8.988 7.069 4.191 1.00 0.00 H new ATOM 0 HA ILE A 54 8.905 8.568 6.483 1.00 0.00 H new ATOM 0 HB ILE A 54 11.128 8.276 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.954 6.711 6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.282 6.739 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.667 8.935 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.535 10.246 5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.276 9.273 7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.724 4.792 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.561 5.885 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.259 5.857 4.141 1.00 0.00 H new ATOM 766 N PRO A 55 8.929 11.030 6.067 1.00 0.00 N ATOM 767 CA PRO A 55 8.805 12.474 5.846 1.00 0.00 C ATOM 768 C PRO A 55 10.142 13.126 5.511 1.00 0.00 C ATOM 769 O PRO A 55 11.202 12.607 5.860 1.00 0.00 O ATOM 770 CB PRO A 55 8.278 12.993 7.186 1.00 0.00 C ATOM 771 CG PRO A 55 8.733 11.989 8.187 1.00 0.00 C ATOM 772 CD PRO A 55 8.724 10.663 7.478 1.00 0.00 C ATOM 0 HA PRO A 55 8.157 12.703 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.674 13.983 7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.191 13.079 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.731 12.228 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.071 11.973 9.053 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.515 10.007 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.781 10.136 7.623 1.00 0.00 H new ATOM 780 N GLY A 56 10.085 14.267 4.831 1.00 0.00 N ATOM 781 CA GLY A 56 11.299 14.971 4.460 1.00 0.00 C ATOM 782 C GLY A 56 12.222 14.125 3.606 1.00 0.00 C ATOM 783 O GLY A 56 13.440 14.304 3.631 1.00 0.00 O ATOM 0 H GLY A 56 9.220 14.716 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.037 15.879 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.826 15.280 5.363 1.00 0.00 H new ATOM 787 N SER A 57 11.642 13.200 2.849 1.00 0.00 N ATOM 788 CA SER A 57 12.422 12.319 1.987 1.00 0.00 C ATOM 789 C SER A 57 12.103 12.575 0.517 1.00 0.00 C ATOM 790 O SER A 57 11.169 13.307 0.192 1.00 0.00 O ATOM 791 CB SER A 57 12.144 10.855 2.333 1.00 0.00 C ATOM 792 OG SER A 57 10.983 10.386 1.670 1.00 0.00 O ATOM 0 H SER A 57 10.635 13.041 2.815 1.00 0.00 H new ATOM 0 HA SER A 57 13.478 12.530 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.000 10.242 2.051 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.019 10.750 3.411 1.00 0.00 H new ATOM 0 HG SER A 57 10.236 10.351 2.304 1.00 0.00 H new ATOM 798 N ALA A 58 12.887 11.966 -0.367 1.00 0.00 N ATOM 799 CA ALA A 58 12.688 12.126 -1.802 1.00 0.00 C ATOM 800 C ALA A 58 11.234 11.873 -2.186 1.00 0.00 C ATOM 801 O ALA A 58 10.608 12.693 -2.857 1.00 0.00 O ATOM 802 CB ALA A 58 13.609 11.190 -2.570 1.00 0.00 C ATOM 0 H ALA A 58 13.666 11.357 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 58 12.932 13.155 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.450 11.320 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.646 11.420 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.392 10.158 -2.294 1.00 0.00 H new ATOM 808 N ALA A 59 10.703 10.733 -1.756 1.00 0.00 N ATOM 809 CA ALA A 59 9.322 10.374 -2.054 1.00 0.00 C ATOM 810 C ALA A 59 8.354 11.430 -1.531 1.00 0.00 C ATOM 811 O ALA A 59 7.523 11.949 -2.277 1.00 0.00 O ATOM 812 CB ALA A 59 8.991 9.012 -1.460 1.00 0.00 C ATOM 0 H ALA A 59 11.208 10.043 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 59 9.212 10.323 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.957 8.756 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.654 8.259 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.125 9.044 -0.379 1.00 0.00 H new ATOM 818 N TYR A 60 8.467 11.743 -0.245 1.00 0.00 N ATOM 819 CA TYR A 60 7.599 12.736 0.379 1.00 0.00 C ATOM 820 C TYR A 60 7.624 14.047 -0.400 1.00 0.00 C ATOM 821 O TYR A 60 6.578 14.588 -0.763 1.00 0.00 O ATOM 822 CB TYR A 60 8.029 12.982 1.826 1.00 0.00 C ATOM 823 CG TYR A 60 7.121 13.932 2.574 1.00 0.00 C ATOM 824 CD1 TYR A 60 5.934 13.489 3.142 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.452 15.275 2.713 1.00 0.00 C ATOM 826 CE1 TYR A 60 5.102 14.354 3.825 1.00 0.00 C ATOM 827 CE2 TYR A 60 6.627 16.147 3.395 1.00 0.00 C ATOM 828 CZ TYR A 60 5.452 15.682 3.949 1.00 0.00 C ATOM 829 OH TYR A 60 4.627 16.547 4.630 1.00 0.00 O ATOM 0 H TYR A 60 9.150 11.324 0.386 1.00 0.00 H new ATOM 0 HA TYR A 60 6.580 12.348 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.059 12.029 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.043 13.381 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.656 12.450 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.371 15.643 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.182 13.992 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.900 17.187 3.494 1.00 0.00 H new ATOM 0 HH TYR A 60 5.020 17.445 4.626 1.00 0.00 H new ATOM 839 N HIS A 61 8.826 14.554 -0.656 1.00 0.00 N ATOM 840 CA HIS A 61 8.989 15.802 -1.394 1.00 0.00 C ATOM 841 C HIS A 61 8.253 15.743 -2.729 1.00 0.00 C ATOM 842 O HIS A 61 7.448 16.619 -3.044 1.00 0.00 O ATOM 843 CB HIS A 61 10.472 16.091 -1.627 1.00 0.00 C ATOM 844 CG HIS A 61 11.197 16.535 -0.394 1.00 0.00 C ATOM 845 ND1 HIS A 61 10.646 17.392 0.535 1.00 0.00 N ATOM 846 CD2 HIS A 61 12.436 16.234 0.060 1.00 0.00 C ATOM 847 CE1 HIS A 61 11.516 17.600 1.508 1.00 0.00 C ATOM 848 NE2 HIS A 61 12.610 16.909 1.244 1.00 0.00 N ATOM 0 H HIS A 61 9.701 14.120 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 61 8.560 16.607 -0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.952 15.193 -2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.568 16.862 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.154 15.585 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 61 11.359 18.228 2.372 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.448 16.881 1.825 1.00 0.00 H new ATOM 857 N ASN A 62 8.536 14.706 -3.510 1.00 0.00 N ATOM 858 CA ASN A 62 7.902 14.534 -4.812 1.00 0.00 C ATOM 859 C ASN A 62 6.387 14.677 -4.703 1.00 0.00 C ATOM 860 O ASN A 62 5.777 15.485 -5.402 1.00 0.00 O ATOM 861 CB ASN A 62 8.256 13.166 -5.398 1.00 0.00 C ATOM 862 CG ASN A 62 8.326 13.186 -6.913 1.00 0.00 C ATOM 863 OD1 ASN A 62 8.900 14.100 -7.507 1.00 0.00 O ATOM 864 ND2 ASN A 62 7.741 12.176 -7.546 1.00 0.00 N ATOM 0 H ASN A 62 9.200 13.972 -3.264 1.00 0.00 H new ATOM 0 HA ASN A 62 8.275 15.314 -5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.216 12.839 -4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.513 12.435 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.756 12.136 -8.565 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.277 11.440 -7.013 1.00 0.00 H new ATOM 871 N GLY A 63 5.786 13.886 -3.820 1.00 0.00 N ATOM 872 CA GLY A 63 4.347 13.940 -3.634 1.00 0.00 C ATOM 873 C GLY A 63 3.599 13.117 -4.664 1.00 0.00 C ATOM 874 O GLY A 63 2.494 13.476 -5.072 1.00 0.00 O ATOM 0 H GLY A 63 6.269 13.209 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.099 13.580 -2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.015 14.977 -3.691 1.00 0.00 H new ATOM 878 N HIS A 64 4.201 12.010 -5.086 1.00 0.00 N ATOM 879 CA HIS A 64 3.585 11.134 -6.076 1.00 0.00 C ATOM 880 C HIS A 64 3.347 9.742 -5.497 1.00 0.00 C ATOM 881 O HIS A 64 2.316 9.120 -5.756 1.00 0.00 O ATOM 882 CB HIS A 64 4.466 11.037 -7.321 1.00 0.00 C ATOM 883 CG HIS A 64 4.389 12.244 -8.205 1.00 0.00 C ATOM 884 ND1 HIS A 64 4.088 12.175 -9.548 1.00 0.00 N ATOM 885 CD2 HIS A 64 4.576 13.556 -7.929 1.00 0.00 C ATOM 886 CE1 HIS A 64 4.094 13.393 -10.061 1.00 0.00 C ATOM 887 NE2 HIS A 64 4.387 14.249 -9.099 1.00 0.00 N ATOM 0 H HIS A 64 5.115 11.698 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 64 2.622 11.562 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.501 10.888 -7.013 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.174 10.157 -7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.827 13.979 -6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.893 13.645 -11.092 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.461 15.261 -9.208 1.00 0.00 H new ATOM 896 N ILE A 65 4.306 9.261 -4.713 1.00 0.00 N ATOM 897 CA ILE A 65 4.200 7.944 -4.098 1.00 0.00 C ATOM 898 C ILE A 65 3.603 8.038 -2.698 1.00 0.00 C ATOM 899 O ILE A 65 4.098 8.782 -1.851 1.00 0.00 O ATOM 900 CB ILE A 65 5.572 7.250 -4.014 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.183 7.109 -5.409 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.437 5.888 -3.349 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.696 7.135 -5.412 1.00 0.00 C ATOM 0 H ILE A 65 5.165 9.764 -4.489 1.00 0.00 H new ATOM 0 HA ILE A 65 3.541 7.351 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 65 6.237 7.865 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.843 6.173 -5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.813 7.915 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.415 5.410 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.040 6.013 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.759 5.264 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.060 7.030 -6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.044 8.081 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.075 6.312 -4.806 1.00 0.00 H new ATOM 915 N GLN A 66 2.539 7.277 -2.461 1.00 0.00 N ATOM 916 CA GLN A 66 1.876 7.274 -1.163 1.00 0.00 C ATOM 917 C GLN A 66 1.387 5.875 -0.805 1.00 0.00 C ATOM 918 O GLN A 66 1.354 4.982 -1.652 1.00 0.00 O ATOM 919 CB GLN A 66 0.701 8.253 -1.164 1.00 0.00 C ATOM 920 CG GLN A 66 1.084 9.662 -1.586 1.00 0.00 C ATOM 921 CD GLN A 66 0.959 9.878 -3.082 1.00 0.00 C ATOM 922 OE1 GLN A 66 0.358 9.069 -3.789 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.528 10.973 -3.572 1.00 0.00 N ATOM 0 H GLN A 66 2.118 6.655 -3.151 1.00 0.00 H new ATOM 0 HA GLN A 66 2.601 7.589 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.072 7.879 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.266 8.287 -0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.449 10.378 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.110 9.863 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.016 11.616 -2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.477 11.171 -4.571 1.00 0.00 H new ATOM 932 N VAL A 67 1.007 5.690 0.456 1.00 0.00 N ATOM 933 CA VAL A 67 0.519 4.399 0.926 1.00 0.00 C ATOM 934 C VAL A 67 -0.675 3.931 0.102 1.00 0.00 C ATOM 935 O VAL A 67 -1.206 4.676 -0.720 1.00 0.00 O ATOM 936 CB VAL A 67 0.112 4.460 2.410 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.317 4.783 3.281 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.995 5.482 2.618 1.00 0.00 C ATOM 0 H VAL A 67 1.028 6.418 1.170 1.00 0.00 H new ATOM 0 HA VAL A 67 1.338 3.689 0.810 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.268 3.482 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.010 4.822 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.075 4.010 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.730 5.748 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.270 5.511 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.645 6.466 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.865 5.202 2.024 1.00 0.00 H new ATOM 948 N ASN A 68 -1.094 2.690 0.330 1.00 0.00 N ATOM 949 CA ASN A 68 -2.226 2.121 -0.392 1.00 0.00 C ATOM 950 C ASN A 68 -1.915 1.993 -1.880 1.00 0.00 C ATOM 951 O ASN A 68 -2.768 2.256 -2.728 1.00 0.00 O ATOM 952 CB ASN A 68 -3.472 2.987 -0.192 1.00 0.00 C ATOM 953 CG ASN A 68 -3.837 3.146 1.271 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.319 2.437 2.133 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.735 4.082 1.557 1.00 0.00 N ATOM 0 H ASN A 68 -0.667 2.060 1.009 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.416 1.125 0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.302 3.970 -0.630 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.311 2.541 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.021 4.236 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.139 4.647 0.810 1.00 0.00 H new ATOM 962 N ASP A 69 -0.688 1.587 -2.189 1.00 0.00 N ATOM 963 CA ASP A 69 -0.264 1.423 -3.574 1.00 0.00 C ATOM 964 C ASP A 69 0.459 0.093 -3.766 1.00 0.00 C ATOM 965 O ASP A 69 0.989 -0.481 -2.815 1.00 0.00 O ATOM 966 CB ASP A 69 0.648 2.578 -3.991 1.00 0.00 C ATOM 967 CG ASP A 69 0.536 2.899 -5.469 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.329 1.960 -6.265 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.656 4.089 -5.828 1.00 0.00 O ATOM 0 H ASP A 69 0.030 1.366 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.154 1.428 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.396 3.465 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.681 2.325 -3.754 1.00 0.00 H new ATOM 974 N LYS A 70 0.476 -0.392 -5.003 1.00 0.00 N ATOM 975 CA LYS A 70 1.133 -1.654 -5.322 1.00 0.00 C ATOM 976 C LYS A 70 2.303 -1.432 -6.276 1.00 0.00 C ATOM 977 O LYS A 70 2.111 -1.047 -7.430 1.00 0.00 O ATOM 978 CB LYS A 70 0.133 -2.631 -5.944 1.00 0.00 C ATOM 979 CG LYS A 70 0.567 -4.083 -5.857 1.00 0.00 C ATOM 980 CD LYS A 70 -0.242 -4.965 -6.793 1.00 0.00 C ATOM 981 CE LYS A 70 0.409 -5.066 -8.164 1.00 0.00 C ATOM 982 NZ LYS A 70 -0.466 -5.768 -9.143 1.00 0.00 N ATOM 0 H LYS A 70 0.042 0.070 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 70 1.518 -2.079 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.830 -2.518 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.016 -2.367 -6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.625 -4.163 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.452 -4.437 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.341 -5.961 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.249 -4.561 -6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.637 -4.066 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.357 -5.597 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.013 -5.816 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.663 -6.731 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.360 -5.247 -9.245 1.00 0.00 H new ATOM 996 N ILE A 71 3.514 -1.678 -5.787 1.00 0.00 N ATOM 997 CA ILE A 71 4.713 -1.507 -6.597 1.00 0.00 C ATOM 998 C ILE A 71 4.980 -2.742 -7.451 1.00 0.00 C ATOM 999 O ILE A 71 5.150 -3.845 -6.930 1.00 0.00 O ATOM 1000 CB ILE A 71 5.949 -1.225 -5.721 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.721 0.023 -4.866 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.187 -1.060 -6.590 1.00 0.00 C ATOM 1003 CD1 ILE A 71 4.981 -0.255 -3.577 1.00 0.00 C ATOM 0 H ILE A 71 3.690 -1.996 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 71 4.535 -0.650 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 71 6.106 -2.074 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.685 0.474 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.160 0.754 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.052 -0.861 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.356 -1.974 -7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.041 -0.226 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.855 0.675 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.002 -0.678 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.552 -0.962 -2.975 1.00 0.00 H new ATOM 1015 N VAL A 72 5.019 -2.549 -8.765 1.00 0.00 N ATOM 1016 CA VAL A 72 5.268 -3.647 -9.692 1.00 0.00 C ATOM 1017 C VAL A 72 6.682 -3.577 -10.258 1.00 0.00 C ATOM 1018 O VAL A 72 7.275 -4.599 -10.602 1.00 0.00 O ATOM 1019 CB VAL A 72 4.260 -3.638 -10.856 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.889 -4.092 -10.379 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.184 -2.255 -11.485 1.00 0.00 C ATOM 0 H VAL A 72 4.881 -1.643 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 72 5.151 -4.572 -9.127 1.00 0.00 H new ATOM 0 HB VAL A 72 4.604 -4.339 -11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.190 -4.079 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.959 -5.104 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.534 -3.419 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.467 -2.267 -12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.865 -1.531 -10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.166 -1.974 -11.865 1.00 0.00 H new ATOM 1031 N ALA A 73 7.217 -2.364 -10.353 1.00 0.00 N ATOM 1032 CA ALA A 73 8.562 -2.161 -10.875 1.00 0.00 C ATOM 1033 C ALA A 73 9.248 -0.988 -10.182 1.00 0.00 C ATOM 1034 O ALA A 73 8.613 0.020 -9.870 1.00 0.00 O ATOM 1035 CB ALA A 73 8.516 -1.935 -12.379 1.00 0.00 C ATOM 0 H ALA A 73 6.739 -1.507 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 73 9.144 -3.060 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.528 -1.785 -12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.074 -2.805 -12.864 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.913 -1.053 -12.596 1.00 0.00 H new ATOM 1041 N VAL A 74 10.549 -1.126 -9.944 1.00 0.00 N ATOM 1042 CA VAL A 74 11.321 -0.077 -9.289 1.00 0.00 C ATOM 1043 C VAL A 74 12.580 0.255 -10.082 1.00 0.00 C ATOM 1044 O VAL A 74 13.442 -0.600 -10.285 1.00 0.00 O ATOM 1045 CB VAL A 74 11.722 -0.485 -7.859 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.571 0.598 -7.212 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.485 -0.776 -7.022 1.00 0.00 C ATOM 0 H VAL A 74 11.090 -1.954 -10.195 1.00 0.00 H new ATOM 0 HA VAL A 74 10.681 0.804 -9.242 1.00 0.00 H new ATOM 0 HB VAL A 74 12.319 -1.396 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.844 0.291 -6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.475 0.753 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.003 1.527 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.787 -1.063 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.860 0.116 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.921 -1.590 -7.477 1.00 0.00 H new ATOM 1057 N ASP A 75 12.679 1.503 -10.528 1.00 0.00 N ATOM 1058 CA ASP A 75 13.834 1.950 -11.299 1.00 0.00 C ATOM 1059 C ASP A 75 13.928 1.199 -12.623 1.00 0.00 C ATOM 1060 O ASP A 75 15.020 0.894 -13.100 1.00 0.00 O ATOM 1061 CB ASP A 75 15.119 1.751 -10.494 1.00 0.00 C ATOM 1062 CG ASP A 75 16.208 2.729 -10.889 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.021 3.944 -10.669 1.00 0.00 O ATOM 1064 OD2 ASP A 75 17.245 2.280 -11.420 1.00 0.00 O ATOM 0 H ASP A 75 11.974 2.223 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 75 13.708 3.011 -11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.900 1.865 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.480 0.733 -10.638 1.00 0.00 H new ATOM 1069 N GLY A 76 12.773 0.902 -13.212 1.00 0.00 N ATOM 1070 CA GLY A 76 12.747 0.187 -14.475 1.00 0.00 C ATOM 1071 C GLY A 76 13.062 -1.286 -14.314 1.00 0.00 C ATOM 1072 O GLY A 76 13.534 -1.934 -15.250 1.00 0.00 O ATOM 0 H GLY A 76 11.856 1.144 -12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.763 0.297 -14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.467 0.637 -15.158 1.00 0.00 H new ATOM 1076 N VAL A 77 12.803 -1.819 -13.124 1.00 0.00 N ATOM 1077 CA VAL A 77 13.063 -3.226 -12.844 1.00 0.00 C ATOM 1078 C VAL A 77 11.808 -3.926 -12.336 1.00 0.00 C ATOM 1079 O VAL A 77 11.283 -3.589 -11.275 1.00 0.00 O ATOM 1080 CB VAL A 77 14.187 -3.393 -11.804 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.366 -4.859 -11.441 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.488 -2.801 -12.326 1.00 0.00 C ATOM 0 H VAL A 77 12.413 -1.298 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 77 13.376 -3.683 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 77 13.905 -2.852 -10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.164 -4.957 -10.705 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.437 -5.246 -11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.625 -5.426 -12.335 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.271 -2.928 -11.579 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.777 -3.311 -13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.349 -1.739 -12.529 1.00 0.00 H new ATOM 1092 N ASN A 78 11.331 -4.903 -13.100 1.00 0.00 N ATOM 1093 CA ASN A 78 10.136 -5.651 -12.728 1.00 0.00 C ATOM 1094 C ASN A 78 10.356 -6.413 -11.424 1.00 0.00 C ATOM 1095 O ASN A 78 10.908 -7.514 -11.422 1.00 0.00 O ATOM 1096 CB ASN A 78 9.751 -6.626 -13.842 1.00 0.00 C ATOM 1097 CG ASN A 78 8.330 -7.136 -13.700 1.00 0.00 C ATOM 1098 OD1 ASN A 78 7.400 -6.360 -13.479 1.00 0.00 O ATOM 1099 ND2 ASN A 78 8.156 -8.446 -13.826 1.00 0.00 N ATOM 0 H ASN A 78 11.754 -5.195 -13.981 1.00 0.00 H new ATOM 0 HA ASN A 78 9.324 -4.939 -12.581 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.862 -6.132 -14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.440 -7.471 -13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.222 -8.847 -13.740 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.956 -9.051 -14.009 1.00 0.00 H new ATOM 1106 N ILE A 79 9.919 -5.820 -10.318 1.00 0.00 N ATOM 1107 CA ILE A 79 10.066 -6.443 -9.009 1.00 0.00 C ATOM 1108 C ILE A 79 8.895 -7.371 -8.706 1.00 0.00 C ATOM 1109 O ILE A 79 8.683 -7.765 -7.560 1.00 0.00 O ATOM 1110 CB ILE A 79 10.173 -5.388 -7.892 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.884 -4.567 -7.811 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.370 -4.481 -8.132 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.572 -4.067 -6.418 1.00 0.00 C ATOM 0 H ILE A 79 9.460 -4.909 -10.303 1.00 0.00 H new ATOM 0 HA ILE A 79 10.988 -7.024 -9.039 1.00 0.00 H new ATOM 0 HB ILE A 79 10.316 -5.901 -6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.963 -3.714 -8.485 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.052 -5.176 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.432 -3.741 -7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.282 -5.078 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.255 -3.973 -9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.645 -3.493 -6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.460 -4.916 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.385 -3.431 -6.069 1.00 0.00 H new ATOM 1125 N GLN A 80 8.138 -7.717 -9.743 1.00 0.00 N ATOM 1126 CA GLN A 80 6.988 -8.600 -9.588 1.00 0.00 C ATOM 1127 C GLN A 80 7.402 -9.928 -8.963 1.00 0.00 C ATOM 1128 O GLN A 80 7.792 -10.860 -9.664 1.00 0.00 O ATOM 1129 CB GLN A 80 6.321 -8.846 -10.943 1.00 0.00 C ATOM 1130 CG GLN A 80 5.417 -7.709 -11.391 1.00 0.00 C ATOM 1131 CD GLN A 80 4.350 -8.163 -12.367 1.00 0.00 C ATOM 1132 OE1 GLN A 80 4.317 -9.325 -12.773 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.469 -7.246 -12.750 1.00 0.00 N ATOM 0 H GLN A 80 8.300 -7.399 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 80 6.275 -8.113 -8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.094 -9.003 -11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.736 -9.764 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.940 -7.264 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.022 -6.930 -11.856 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.533 -6.294 -12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.728 -7.493 -13.406 1.00 0.00 H new ATOM 1142 N GLY A 81 7.314 -10.006 -7.638 1.00 0.00 N ATOM 1143 CA GLY A 81 7.683 -11.224 -6.941 1.00 0.00 C ATOM 1144 C GLY A 81 8.823 -11.010 -5.965 1.00 0.00 C ATOM 1145 O GLY A 81 8.962 -11.749 -4.990 1.00 0.00 O ATOM 0 H GLY A 81 6.994 -9.248 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.816 -11.609 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.969 -11.983 -7.669 1.00 0.00 H new ATOM 1149 N PHE A 82 9.643 -9.998 -6.228 1.00 0.00 N ATOM 1150 CA PHE A 82 10.779 -9.691 -5.367 1.00 0.00 C ATOM 1151 C PHE A 82 10.359 -9.666 -3.900 1.00 0.00 C ATOM 1152 O PHE A 82 9.371 -9.028 -3.537 1.00 0.00 O ATOM 1153 CB PHE A 82 11.391 -8.344 -5.756 1.00 0.00 C ATOM 1154 CG PHE A 82 12.393 -8.440 -6.871 1.00 0.00 C ATOM 1155 CD1 PHE A 82 12.037 -8.983 -8.095 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.691 -7.989 -6.695 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.956 -9.073 -9.123 1.00 0.00 C ATOM 1158 CE2 PHE A 82 14.615 -8.076 -7.719 1.00 0.00 C ATOM 1159 CZ PHE A 82 14.247 -8.620 -8.934 1.00 0.00 C ATOM 0 H PHE A 82 9.542 -9.377 -7.031 1.00 0.00 H new ATOM 0 HA PHE A 82 11.525 -10.474 -5.500 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.593 -7.664 -6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.873 -7.907 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.029 -9.340 -8.247 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.984 -7.564 -5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.665 -9.497 -10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 82 15.623 -7.719 -7.569 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.968 -8.691 -9.735 1.00 0.00 H new ATOM 1169 N ALA A 83 11.116 -10.367 -3.062 1.00 0.00 N ATOM 1170 CA ALA A 83 10.824 -10.425 -1.635 1.00 0.00 C ATOM 1171 C ALA A 83 11.050 -9.070 -0.973 1.00 0.00 C ATOM 1172 O ALA A 83 11.658 -8.176 -1.559 1.00 0.00 O ATOM 1173 CB ALA A 83 11.677 -11.491 -0.965 1.00 0.00 C ATOM 0 H ALA A 83 11.936 -10.903 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 83 9.773 -10.688 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.449 -11.523 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.463 -12.462 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.732 -11.253 -1.103 1.00 0.00 H new ATOM 1179 N ASN A 84 10.555 -8.925 0.252 1.00 0.00 N ATOM 1180 CA ASN A 84 10.702 -7.678 0.993 1.00 0.00 C ATOM 1181 C ASN A 84 12.111 -7.115 0.837 1.00 0.00 C ATOM 1182 O ASN A 84 12.296 -6.005 0.337 1.00 0.00 O ATOM 1183 CB ASN A 84 10.392 -7.902 2.475 1.00 0.00 C ATOM 1184 CG ASN A 84 10.215 -6.599 3.232 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.163 -6.075 3.816 1.00 0.00 O ATOM 1186 ND2 ASN A 84 8.997 -6.072 3.224 1.00 0.00 N ATOM 0 H ASN A 84 10.049 -9.656 0.752 1.00 0.00 H new ATOM 0 HA ASN A 84 9.994 -6.956 0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.485 -8.499 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.199 -8.476 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.817 -5.197 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.241 -6.542 2.726 1.00 0.00 H new ATOM 1193 N HIS A 85 13.103 -7.889 1.266 1.00 0.00 N ATOM 1194 CA HIS A 85 14.496 -7.468 1.173 1.00 0.00 C ATOM 1195 C HIS A 85 14.912 -7.286 -0.284 1.00 0.00 C ATOM 1196 O HIS A 85 15.549 -6.294 -0.638 1.00 0.00 O ATOM 1197 CB HIS A 85 15.407 -8.493 1.850 1.00 0.00 C ATOM 1198 CG HIS A 85 15.058 -9.912 1.525 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.032 -10.596 2.144 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.604 -10.777 0.639 1.00 0.00 C ATOM 1201 CE1 HIS A 85 13.963 -11.820 1.653 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.906 -11.956 0.738 1.00 0.00 N ATOM 0 H HIS A 85 12.968 -8.811 1.681 1.00 0.00 H new ATOM 0 HA HIS A 85 14.595 -6.510 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.438 -8.304 1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.357 -8.354 2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.434 -10.578 -0.023 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.256 -12.581 1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.087 -12.799 0.193 1.00 0.00 H new ATOM 1211 N ASP A 86 14.547 -8.249 -1.123 1.00 0.00 N ATOM 1212 CA ASP A 86 14.882 -8.194 -2.541 1.00 0.00 C ATOM 1213 C ASP A 86 14.525 -6.833 -3.132 1.00 0.00 C ATOM 1214 O ASP A 86 15.193 -6.347 -4.045 1.00 0.00 O ATOM 1215 CB ASP A 86 14.152 -9.301 -3.303 1.00 0.00 C ATOM 1216 CG ASP A 86 14.893 -10.623 -3.253 1.00 0.00 C ATOM 1217 OD1 ASP A 86 16.100 -10.638 -3.571 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.265 -11.643 -2.898 1.00 0.00 O ATOM 0 H ASP A 86 14.019 -9.077 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 86 15.957 -8.343 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.155 -9.431 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.023 -8.999 -4.342 1.00 0.00 H new ATOM 1223 N VAL A 87 13.468 -6.224 -2.605 1.00 0.00 N ATOM 1224 CA VAL A 87 13.022 -4.919 -3.079 1.00 0.00 C ATOM 1225 C VAL A 87 13.825 -3.796 -2.433 1.00 0.00 C ATOM 1226 O VAL A 87 14.164 -2.807 -3.084 1.00 0.00 O ATOM 1227 CB VAL A 87 11.525 -4.698 -2.790 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.095 -3.309 -3.235 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.687 -5.769 -3.472 1.00 0.00 C ATOM 0 H VAL A 87 12.904 -6.613 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 87 13.182 -4.902 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 87 11.365 -4.774 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.035 -3.171 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.674 -2.559 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.268 -3.200 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.632 -5.597 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.849 -5.727 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.978 -6.751 -3.099 1.00 0.00 H new ATOM 1239 N VAL A 88 14.127 -3.955 -1.149 1.00 0.00 N ATOM 1240 CA VAL A 88 14.891 -2.954 -0.414 1.00 0.00 C ATOM 1241 C VAL A 88 16.236 -2.691 -1.082 1.00 0.00 C ATOM 1242 O VAL A 88 16.605 -1.542 -1.323 1.00 0.00 O ATOM 1243 CB VAL A 88 15.132 -3.391 1.044 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.087 -2.432 1.738 1.00 0.00 C ATOM 1245 CG2 VAL A 88 13.813 -3.481 1.797 1.00 0.00 C ATOM 0 H VAL A 88 13.854 -4.767 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 88 14.300 -2.038 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 88 15.590 -4.380 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.245 -2.757 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.040 -2.422 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.661 -1.429 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.001 -3.791 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.326 -2.506 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.166 -4.211 1.311 1.00 0.00 H new ATOM 1255 N GLU A 89 16.964 -3.763 -1.379 1.00 0.00 N ATOM 1256 CA GLU A 89 18.268 -3.647 -2.020 1.00 0.00 C ATOM 1257 C GLU A 89 18.154 -2.929 -3.361 1.00 0.00 C ATOM 1258 O GLU A 89 19.009 -2.120 -3.721 1.00 0.00 O ATOM 1259 CB GLU A 89 18.888 -5.031 -2.221 1.00 0.00 C ATOM 1260 CG GLU A 89 18.163 -5.878 -3.253 1.00 0.00 C ATOM 1261 CD GLU A 89 18.712 -7.289 -3.340 1.00 0.00 C ATOM 1262 OE1 GLU A 89 19.856 -7.509 -2.890 1.00 0.00 O ATOM 1263 OE2 GLU A 89 17.997 -8.172 -3.858 1.00 0.00 O ATOM 0 H GLU A 89 16.673 -4.721 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 89 18.913 -3.059 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.928 -4.913 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.893 -5.560 -1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.103 -5.919 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.242 -5.401 -4.230 1.00 0.00 H new ATOM 1270 N VAL A 90 17.089 -3.231 -4.099 1.00 0.00 N ATOM 1271 CA VAL A 90 16.861 -2.616 -5.400 1.00 0.00 C ATOM 1272 C VAL A 90 16.842 -1.095 -5.293 1.00 0.00 C ATOM 1273 O VAL A 90 17.415 -0.395 -6.130 1.00 0.00 O ATOM 1274 CB VAL A 90 15.535 -3.092 -6.022 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.285 -2.392 -7.349 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.543 -4.603 -6.200 1.00 0.00 C ATOM 0 H VAL A 90 16.371 -3.898 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 90 17.686 -2.922 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 90 14.722 -2.833 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.344 -2.741 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.233 -1.315 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.099 -2.617 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.599 -4.922 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.365 -4.888 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.671 -5.083 -5.230 1.00 0.00 H new ATOM 1286 N LEU A 91 16.180 -0.588 -4.259 1.00 0.00 N ATOM 1287 CA LEU A 91 16.086 0.851 -4.041 1.00 0.00 C ATOM 1288 C LEU A 91 17.464 1.454 -3.784 1.00 0.00 C ATOM 1289 O LEU A 91 17.829 2.468 -4.379 1.00 0.00 O ATOM 1290 CB LEU A 91 15.159 1.149 -2.862 1.00 0.00 C ATOM 1291 CG LEU A 91 13.770 0.513 -2.923 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.092 0.579 -1.563 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.916 1.198 -3.980 1.00 0.00 C ATOM 0 H LEU A 91 15.700 -1.153 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 91 15.674 1.304 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.649 0.816 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.039 2.230 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 91 13.883 -0.535 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.105 0.122 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.694 0.043 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.991 1.620 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.931 0.732 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.811 2.255 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.394 1.098 -4.955 1.00 0.00 H new ATOM 1305 N ARG A 92 18.225 0.822 -2.897 1.00 0.00 N ATOM 1306 CA ARG A 92 19.562 1.295 -2.562 1.00 0.00 C ATOM 1307 C ARG A 92 20.453 1.327 -3.800 1.00 0.00 C ATOM 1308 O ARG A 92 21.198 2.281 -4.017 1.00 0.00 O ATOM 1309 CB ARG A 92 20.190 0.400 -1.492 1.00 0.00 C ATOM 1310 CG ARG A 92 19.378 0.323 -0.209 1.00 0.00 C ATOM 1311 CD ARG A 92 20.219 -0.179 0.954 1.00 0.00 C ATOM 1312 NE ARG A 92 21.191 0.817 1.397 1.00 0.00 N ATOM 1313 CZ ARG A 92 22.023 0.630 2.415 1.00 0.00 C ATOM 1314 NH1 ARG A 92 22.003 -0.511 3.091 1.00 0.00 N ATOM 1315 NH2 ARG A 92 22.879 1.584 2.759 1.00 0.00 N ATOM 0 H ARG A 92 17.938 -0.020 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 92 19.474 2.309 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.311 -0.605 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.188 0.772 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.978 1.308 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.526 -0.340 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.566 -0.443 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.741 -1.088 0.657 1.00 0.00 H new ATOM 0 HE ARG A 92 21.233 1.705 0.897 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.348 -1.247 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.643 -0.652 3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.899 2.463 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.517 1.439 3.541 1.00 0.00 H new ATOM 1329 N ASN A 93 20.371 0.275 -4.609 1.00 0.00 N ATOM 1330 CA ASN A 93 21.171 0.182 -5.826 1.00 0.00 C ATOM 1331 C ASN A 93 20.842 1.325 -6.782 1.00 0.00 C ATOM 1332 O ASN A 93 21.730 1.891 -7.417 1.00 0.00 O ATOM 1333 CB ASN A 93 20.930 -1.162 -6.517 1.00 0.00 C ATOM 1334 CG ASN A 93 21.866 -2.245 -6.016 1.00 0.00 C ATOM 1335 OD1 ASN A 93 23.051 -2.260 -6.351 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.337 -3.158 -5.210 1.00 0.00 N ATOM 0 H ASN A 93 19.759 -0.524 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 93 22.222 0.257 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.898 -1.472 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.059 -1.043 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.918 -3.911 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.350 -3.106 -4.959 1.00 0.00 H new ATOM 1343 N ALA A 94 19.559 1.658 -6.878 1.00 0.00 N ATOM 1344 CA ALA A 94 19.112 2.734 -7.753 1.00 0.00 C ATOM 1345 C ALA A 94 19.929 4.002 -7.525 1.00 0.00 C ATOM 1346 O ALA A 94 20.527 4.184 -6.466 1.00 0.00 O ATOM 1347 CB ALA A 94 17.632 3.011 -7.537 1.00 0.00 C ATOM 0 H ALA A 94 18.811 1.197 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 94 19.263 2.416 -8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.313 3.817 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.057 2.111 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.464 3.303 -6.500 1.00 0.00 H new ATOM 1353 N GLY A 95 19.949 4.876 -8.527 1.00 0.00 N ATOM 1354 CA GLY A 95 20.696 6.115 -8.416 1.00 0.00 C ATOM 1355 C GLY A 95 19.794 7.322 -8.251 1.00 0.00 C ATOM 1356 O GLY A 95 18.661 7.199 -7.788 1.00 0.00 O ATOM 0 H GLY A 95 19.461 4.748 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.374 6.052 -7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.313 6.245 -9.305 1.00 0.00 H new ATOM 1360 N GLN A 96 20.299 8.492 -8.630 1.00 0.00 N ATOM 1361 CA GLN A 96 19.532 9.727 -8.519 1.00 0.00 C ATOM 1362 C GLN A 96 18.147 9.564 -9.136 1.00 0.00 C ATOM 1363 O GLN A 96 17.132 9.697 -8.452 1.00 0.00 O ATOM 1364 CB GLN A 96 20.275 10.877 -9.201 1.00 0.00 C ATOM 1365 CG GLN A 96 19.890 12.249 -8.670 1.00 0.00 C ATOM 1366 CD GLN A 96 21.026 13.249 -8.761 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.651 13.403 -9.810 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.299 13.936 -7.657 1.00 0.00 N ATOM 0 H GLN A 96 21.236 8.610 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 96 19.414 9.958 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.348 10.734 -9.071 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.077 10.842 -10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.034 12.625 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.574 12.157 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.755 13.776 -6.809 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.053 14.623 -7.657 1.00 0.00 H new ATOM 1377 N VAL A 97 18.112 9.276 -10.433 1.00 0.00 N ATOM 1378 CA VAL A 97 16.852 9.094 -11.143 1.00 0.00 C ATOM 1379 C VAL A 97 16.201 7.765 -10.776 1.00 0.00 C ATOM 1380 O VAL A 97 16.521 6.725 -11.353 1.00 0.00 O ATOM 1381 CB VAL A 97 17.053 9.151 -12.669 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.750 8.844 -13.391 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.594 10.511 -13.084 1.00 0.00 C ATOM 0 H VAL A 97 18.943 9.164 -11.014 1.00 0.00 H new ATOM 0 HA VAL A 97 16.198 9.912 -10.840 1.00 0.00 H new ATOM 0 HB VAL A 97 17.784 8.393 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.911 8.889 -14.468 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.408 7.846 -13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.995 9.577 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.730 10.534 -14.165 1.00 0.00 H new ATOM 0 HG22 VAL A 97 16.888 11.288 -12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.552 10.687 -12.594 1.00 0.00 H new ATOM 1393 N VAL A 98 15.286 7.806 -9.813 1.00 0.00 N ATOM 1394 CA VAL A 98 14.588 6.605 -9.370 1.00 0.00 C ATOM 1395 C VAL A 98 13.159 6.571 -9.901 1.00 0.00 C ATOM 1396 O VAL A 98 12.268 7.223 -9.356 1.00 0.00 O ATOM 1397 CB VAL A 98 14.555 6.509 -7.833 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.787 5.274 -7.391 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.969 6.498 -7.270 1.00 0.00 C ATOM 0 H VAL A 98 15.011 8.658 -9.325 1.00 0.00 H new ATOM 0 HA VAL A 98 15.141 5.754 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 98 14.039 7.386 -7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.775 5.224 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.764 5.329 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.271 4.383 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.927 6.430 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.512 5.640 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.482 7.416 -7.557 1.00 0.00 H new ATOM 1409 N HIS A 99 12.948 5.808 -10.968 1.00 0.00 N ATOM 1410 CA HIS A 99 11.626 5.688 -11.573 1.00 0.00 C ATOM 1411 C HIS A 99 10.816 4.588 -10.895 1.00 0.00 C ATOM 1412 O HIS A 99 10.995 3.404 -11.182 1.00 0.00 O ATOM 1413 CB HIS A 99 11.751 5.397 -13.069 1.00 0.00 C ATOM 1414 CG HIS A 99 11.843 6.631 -13.914 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.873 6.860 -14.801 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.025 7.705 -14.003 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.686 8.023 -15.399 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.570 8.556 -14.933 1.00 0.00 N ATOM 0 H HIS A 99 13.675 5.263 -11.432 1.00 0.00 H new ATOM 0 HA HIS A 99 11.104 6.635 -11.437 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.636 4.784 -13.239 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.890 4.810 -13.390 1.00 0.00 H new ATOM 0 HD1 HIS A 99 13.657 6.230 -14.969 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.113 7.864 -13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.335 8.463 -16.142 1.00 0.00 H new ATOM 1427 N LEU A 100 9.925 4.986 -9.994 1.00 0.00 N ATOM 1428 CA LEU A 100 9.087 4.034 -9.273 1.00 0.00 C ATOM 1429 C LEU A 100 7.835 3.694 -10.076 1.00 0.00 C ATOM 1430 O LEU A 100 7.152 4.582 -10.589 1.00 0.00 O ATOM 1431 CB LEU A 100 8.692 4.602 -7.909 1.00 0.00 C ATOM 1432 CG LEU A 100 8.625 3.597 -6.758 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.688 2.450 -7.104 1.00 0.00 C ATOM 1434 CD2 LEU A 100 10.015 3.072 -6.427 1.00 0.00 C ATOM 0 H LEU A 100 9.764 5.962 -9.745 1.00 0.00 H new ATOM 0 HA LEU A 100 9.663 3.120 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.405 5.383 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.717 5.080 -8.005 1.00 0.00 H new ATOM 0 HG LEU A 100 8.232 4.107 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.653 1.745 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.688 2.841 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.051 1.941 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.948 2.358 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.436 2.579 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.657 3.903 -6.135 1.00 0.00 H new ATOM 1446 N THR A 101 7.537 2.402 -10.180 1.00 0.00 N ATOM 1447 CA THR A 101 6.368 1.945 -10.919 1.00 0.00 C ATOM 1448 C THR A 101 5.262 1.492 -9.973 1.00 0.00 C ATOM 1449 O THR A 101 5.377 0.455 -9.318 1.00 0.00 O ATOM 1450 CB THR A 101 6.721 0.785 -11.869 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.911 1.098 -12.602 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.580 0.511 -12.837 1.00 0.00 C ATOM 0 H THR A 101 8.090 1.654 -9.761 1.00 0.00 H new ATOM 0 HA THR A 101 6.016 2.792 -11.507 1.00 0.00 H new ATOM 0 HB THR A 101 6.889 -0.109 -11.269 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.695 0.806 -12.092 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.853 -0.312 -13.497 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.684 0.245 -12.277 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.385 1.404 -13.431 1.00 0.00 H new ATOM 1460 N LEU A 102 4.190 2.274 -9.905 1.00 0.00 N ATOM 1461 CA LEU A 102 3.062 1.952 -9.038 1.00 0.00 C ATOM 1462 C LEU A 102 1.780 1.792 -9.849 1.00 0.00 C ATOM 1463 O LEU A 102 1.672 2.300 -10.966 1.00 0.00 O ATOM 1464 CB LEU A 102 2.878 3.044 -7.982 1.00 0.00 C ATOM 1465 CG LEU A 102 4.153 3.538 -7.298 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.814 4.629 -8.127 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.845 4.044 -5.896 1.00 0.00 C ATOM 0 H LEU A 102 4.078 3.135 -10.440 1.00 0.00 H new ATOM 0 HA LEU A 102 3.276 1.006 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.388 3.897 -8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.200 2.669 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 102 4.846 2.701 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.720 4.969 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.070 4.234 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.126 5.467 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.764 4.392 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.133 4.868 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.416 3.236 -5.303 1.00 0.00 H new ATOM 1479 N VAL A 103 0.810 1.085 -9.280 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.467 0.861 -9.948 1.00 0.00 C ATOM 1481 C VAL A 103 -1.623 0.915 -8.957 1.00 0.00 C ATOM 1482 O VAL A 103 -1.757 0.047 -8.095 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.490 -0.498 -10.673 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.057 -1.612 -9.732 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -1.873 -0.775 -11.240 1.00 0.00 C ATOM 0 H VAL A 103 0.884 0.657 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.584 1.658 -10.682 1.00 0.00 H new ATOM 0 HB VAL A 103 0.216 -0.461 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.079 -2.565 -10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.956 -1.417 -9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.737 -1.654 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.871 -1.739 -11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.601 -0.794 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.139 0.009 -11.949 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.458 1.941 -9.085 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.604 2.110 -8.200 1.00 0.00 C ATOM 1497 C ARG A 104 -4.912 1.908 -8.960 1.00 0.00 C ATOM 1498 O ARG A 104 -4.968 2.084 -10.177 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.582 3.500 -7.561 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.357 3.755 -6.699 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.112 5.243 -6.504 1.00 0.00 C ATOM 1502 NE ARG A 104 -2.967 5.806 -5.462 1.00 0.00 N ATOM 1503 CZ ARG A 104 -3.153 7.110 -5.289 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -2.549 7.980 -6.086 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -3.946 7.545 -4.318 1.00 0.00 N ATOM 0 H ARG A 104 -2.362 2.668 -9.794 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.539 1.356 -7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.625 4.253 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.477 3.624 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.488 3.277 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.483 3.299 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.066 5.407 -6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.292 5.766 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.447 5.163 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.940 7.649 -6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.693 8.981 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.413 6.878 -3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.088 8.546 -4.186 1.00 0.00 H new ATOM 1519 N ARG A 105 -5.961 1.537 -8.233 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.268 1.310 -8.838 1.00 0.00 C ATOM 1521 C ARG A 105 -7.871 2.619 -9.338 1.00 0.00 C ATOM 1522 O ARG A 105 -8.052 3.565 -8.572 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.213 0.653 -7.830 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.442 0.025 -8.467 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.003 -1.097 -7.608 1.00 0.00 C ATOM 1526 NE ARG A 105 -10.418 -0.623 -6.290 1.00 0.00 N ATOM 1527 CZ ARG A 105 -10.859 -1.424 -5.327 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -10.940 -2.731 -5.531 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -11.219 -0.917 -4.154 1.00 0.00 N ATOM 0 H ARG A 105 -5.931 1.387 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.135 0.643 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.668 -0.114 -7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.532 1.400 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.206 0.788 -8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.184 -0.364 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.855 -1.550 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.250 -1.876 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.366 0.378 -6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.663 -3.125 -6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.279 -3.343 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.157 0.088 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.558 -1.533 -3.415 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.179 2.667 -10.630 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.763 3.858 -11.234 1.00 0.00 C ATOM 1545 C LYS A 106 -10.093 4.208 -10.575 1.00 0.00 C ATOM 1546 O LYS A 106 -10.361 5.370 -10.270 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.966 3.646 -12.736 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.685 3.317 -13.483 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.963 2.511 -14.740 1.00 0.00 C ATOM 1550 CE LYS A 106 -6.893 2.738 -15.797 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.384 2.409 -17.163 1.00 0.00 N ATOM 0 H LYS A 106 -8.033 1.894 -11.279 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.073 4.688 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.682 2.838 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.406 4.546 -13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.170 4.240 -13.748 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.016 2.756 -12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.010 1.451 -14.491 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.938 2.787 -15.142 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.569 3.778 -15.768 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.020 2.126 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.625 2.577 -17.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.669 1.410 -17.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.201 3.010 -17.392 1.00 0.00 H new