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= -1.33 K(o=-1.7,f=-5.1!) USER MOD Set 1.2: A 80 GLN : amide:sc= -0.34 K(o=-1.7,f=-2.4) 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 K(o=0,f=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=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 -32:sc= 0.0572 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.0507 (180deg=-0.333) USER MOD Single : A 52 SER OG : rot 29:sc= 1.16 USER MOD Single : A 57 SER OG : rot -105:sc= 1.21 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -5.01! X(o=-5!,f=-4.8) USER MOD Single : A 62 ASN : amide:sc= -4.73! K(o=-4.7!,f=-2.4) USER MOD Single : A 64 HIS : no HD1:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 66 GLN : amide:sc= -1.88 K(o=-1.9,f=-2.5) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.0412 (180deg=-0.349) USER MOD Single : A 84 ASN : amide:sc= -5.55! C(o=-5.6!,f=-5.5!) USER MOD Single : A 85 HIS : no HD1:sc= -5.41! C(o=-5.4!,f=-6.7!) USER MOD Single : A 93 ASN : amide:sc= 0.417 X(o=0.42,f=-0.0017) USER MOD Single : A 96 GLN : amide:sc= 0.875 K(o=0.88,f=-0.042) USER MOD Single : A 99 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-2.8!) USER MOD Single : A 101 THR OG1 : rot 86:sc= -0.123 USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.612 -2.153 -15.260 1.00 0.00 N ATOM 119 CA LEU A 13 -9.210 -1.259 -14.274 1.00 0.00 C ATOM 120 C LEU A 13 -8.142 -0.408 -13.594 1.00 0.00 C ATOM 121 O LEU A 13 -8.400 0.729 -13.197 1.00 0.00 O ATOM 122 CB LEU A 13 -9.980 -2.065 -13.227 1.00 0.00 C ATOM 123 CG LEU A 13 -11.397 -2.489 -13.615 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.428 -2.997 -15.048 1.00 0.00 C ATOM 125 CD2 LEU A 13 -11.916 -3.552 -12.658 1.00 0.00 C ATOM 0 HA LEU A 13 -9.902 -0.595 -14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.405 -2.961 -12.993 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.037 -1.475 -12.313 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.049 -1.618 -13.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.444 -3.294 -15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.099 -2.206 -15.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.763 -3.855 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.926 -3.842 -12.949 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.263 -4.424 -12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.931 -3.152 -11.644 1.00 0.00 H new ATOM 137 N PHE A 14 -6.943 -0.964 -13.464 1.00 0.00 N ATOM 138 CA PHE A 14 -5.835 -0.256 -12.833 1.00 0.00 C ATOM 139 C PHE A 14 -4.881 0.307 -13.883 1.00 0.00 C ATOM 140 O PHE A 14 -4.673 -0.297 -14.934 1.00 0.00 O ATOM 141 CB PHE A 14 -5.078 -1.190 -11.887 1.00 0.00 C ATOM 142 CG PHE A 14 -5.971 -1.937 -10.939 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.517 -3.159 -11.298 1.00 0.00 C ATOM 144 CD2 PHE A 14 -6.265 -1.417 -9.689 1.00 0.00 C ATOM 145 CE1 PHE A 14 -7.341 -3.847 -10.428 1.00 0.00 C ATOM 146 CE2 PHE A 14 -7.087 -2.102 -8.814 1.00 0.00 C ATOM 147 CZ PHE A 14 -7.625 -3.319 -9.183 1.00 0.00 C ATOM 0 H PHE A 14 -6.713 -1.904 -13.787 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.246 0.575 -12.259 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.508 -1.907 -12.477 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.359 -0.607 -11.312 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.296 -3.578 -12.268 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.847 -0.466 -9.395 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.763 -4.797 -10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.308 -1.686 -7.842 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.266 -3.857 -8.500 1.00 0.00 H new ATOM 157 N GLU A 15 -4.305 1.468 -13.588 1.00 0.00 N ATOM 158 CA GLU A 15 -3.375 2.114 -14.506 1.00 0.00 C ATOM 159 C GLU A 15 -1.992 2.248 -13.875 1.00 0.00 C ATOM 160 O GLU A 15 -1.865 2.546 -12.687 1.00 0.00 O ATOM 161 CB GLU A 15 -3.898 3.493 -14.913 1.00 0.00 C ATOM 162 CG GLU A 15 -4.211 4.397 -13.732 1.00 0.00 C ATOM 163 CD GLU A 15 -4.066 5.868 -14.070 1.00 0.00 C ATOM 164 OE1 GLU A 15 -4.780 6.341 -14.979 1.00 0.00 O ATOM 165 OE2 GLU A 15 -3.239 6.547 -13.425 1.00 0.00 O ATOM 0 H GLU A 15 -4.466 1.980 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.291 1.489 -15.395 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.158 3.981 -15.547 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.799 3.368 -15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.228 4.205 -13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.546 4.151 -12.904 1.00 0.00 H new ATOM 172 N THR A 16 -0.957 2.025 -14.678 1.00 0.00 N ATOM 173 CA THR A 16 0.417 2.119 -14.200 1.00 0.00 C ATOM 174 C THR A 16 1.068 3.422 -14.649 1.00 0.00 C ATOM 175 O THR A 16 0.910 3.843 -15.795 1.00 0.00 O ATOM 176 CB THR A 16 1.267 0.935 -14.697 1.00 0.00 C ATOM 177 OG1 THR A 16 0.608 -0.301 -14.400 1.00 0.00 O ATOM 178 CG2 THR A 16 2.644 0.949 -14.051 1.00 0.00 C ATOM 0 H THR A 16 -1.044 1.778 -15.664 1.00 0.00 H new ATOM 0 HA THR A 16 0.375 2.094 -13.111 1.00 0.00 H new ATOM 0 HB THR A 16 1.388 1.031 -15.776 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.155 -1.048 -14.721 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.226 0.104 -14.417 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.155 1.878 -14.304 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.539 0.875 -12.969 1.00 0.00 H new ATOM 186 N TYR A 17 1.800 4.056 -13.740 1.00 0.00 N ATOM 187 CA TYR A 17 2.474 5.313 -14.043 1.00 0.00 C ATOM 188 C TYR A 17 3.887 5.327 -13.467 1.00 0.00 C ATOM 189 O TYR A 17 4.146 4.743 -12.415 1.00 0.00 O ATOM 190 CB TYR A 17 1.674 6.492 -13.488 1.00 0.00 C ATOM 191 CG TYR A 17 1.364 6.373 -12.013 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.255 5.662 -11.571 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.180 6.972 -11.061 1.00 0.00 C ATOM 194 CE1 TYR A 17 -0.032 5.551 -10.224 1.00 0.00 C ATOM 195 CE2 TYR A 17 1.901 6.864 -9.712 1.00 0.00 C ATOM 196 CZ TYR A 17 0.794 6.153 -9.299 1.00 0.00 C ATOM 197 OH TYR A 17 0.513 6.045 -7.956 1.00 0.00 O ATOM 0 H TYR A 17 1.942 3.720 -12.787 1.00 0.00 H new ATOM 0 HA TYR A 17 2.542 5.407 -15.127 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.232 7.412 -13.660 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.739 6.578 -14.041 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.394 5.188 -12.293 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.047 7.531 -11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.899 4.996 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.547 7.334 -8.985 1.00 0.00 H new ATOM 0 HH TYR A 17 1.194 6.525 -7.440 1.00 0.00 H new ATOM 207 N ASN A 18 4.797 5.998 -14.165 1.00 0.00 N ATOM 208 CA ASN A 18 6.184 6.089 -13.723 1.00 0.00 C ATOM 209 C ASN A 18 6.436 7.401 -12.986 1.00 0.00 C ATOM 210 O ASN A 18 6.045 8.472 -13.451 1.00 0.00 O ATOM 211 CB ASN A 18 7.130 5.974 -14.920 1.00 0.00 C ATOM 212 CG ASN A 18 7.393 4.533 -15.314 1.00 0.00 C ATOM 213 OD1 ASN A 18 8.452 3.980 -15.017 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.426 3.918 -15.985 1.00 0.00 N ATOM 0 H ASN A 18 4.599 6.486 -15.038 1.00 0.00 H new ATOM 0 HA ASN A 18 6.375 5.265 -13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.703 6.508 -15.769 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.076 6.460 -14.680 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.545 2.948 -16.276 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.565 4.416 -16.209 1.00 0.00 H new ATOM 221 N VAL A 19 7.092 7.309 -11.834 1.00 0.00 N ATOM 222 CA VAL A 19 7.398 8.488 -11.032 1.00 0.00 C ATOM 223 C VAL A 19 8.902 8.655 -10.853 1.00 0.00 C ATOM 224 O VAL A 19 9.555 7.836 -10.207 1.00 0.00 O ATOM 225 CB VAL A 19 6.732 8.412 -9.645 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.665 9.792 -9.009 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.344 7.798 -9.754 1.00 0.00 C ATOM 0 H VAL A 19 7.422 6.430 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 19 7.001 9.349 -11.570 1.00 0.00 H new ATOM 0 HB VAL A 19 7.338 7.772 -9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.192 9.719 -8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.673 10.190 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.082 10.458 -9.645 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.888 7.752 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.726 8.410 -10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.423 6.791 -10.165 1.00 0.00 H new ATOM 237 N GLU A 20 9.446 9.723 -11.429 1.00 0.00 N ATOM 238 CA GLU A 20 10.875 9.997 -11.333 1.00 0.00 C ATOM 239 C GLU A 20 11.188 10.819 -10.086 1.00 0.00 C ATOM 240 O GLU A 20 10.842 11.998 -10.002 1.00 0.00 O ATOM 241 CB GLU A 20 11.360 10.739 -12.581 1.00 0.00 C ATOM 242 CG GLU A 20 12.861 10.971 -12.605 1.00 0.00 C ATOM 243 CD GLU A 20 13.253 12.159 -13.463 1.00 0.00 C ATOM 244 OE1 GLU A 20 12.888 13.297 -13.101 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.925 11.950 -14.495 1.00 0.00 O ATOM 0 H GLU A 20 8.919 10.412 -11.966 1.00 0.00 H new ATOM 0 HA GLU A 20 11.398 9.043 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.074 10.170 -13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.851 11.701 -12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.217 11.129 -11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.357 10.076 -12.981 1.00 0.00 H new ATOM 252 N LEU A 21 11.846 10.189 -9.119 1.00 0.00 N ATOM 253 CA LEU A 21 12.206 10.860 -7.875 1.00 0.00 C ATOM 254 C LEU A 21 13.637 11.384 -7.934 1.00 0.00 C ATOM 255 O LEU A 21 14.515 10.759 -8.530 1.00 0.00 O ATOM 256 CB LEU A 21 12.050 9.903 -6.692 1.00 0.00 C ATOM 257 CG LEU A 21 10.654 9.316 -6.483 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.682 8.241 -5.408 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.664 10.412 -6.119 1.00 0.00 C ATOM 0 H LEU A 21 12.141 9.214 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 21 11.533 11.707 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.753 9.080 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.340 10.430 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 21 10.330 8.857 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.679 7.835 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.359 7.442 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.027 8.674 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.676 9.976 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.984 10.900 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.622 11.146 -6.923 1.00 0.00 H new ATOM 271 N VAL A 22 13.867 12.535 -7.310 1.00 0.00 N ATOM 272 CA VAL A 22 15.192 13.142 -7.288 1.00 0.00 C ATOM 273 C VAL A 22 15.842 12.995 -5.917 1.00 0.00 C ATOM 274 O VAL A 22 15.199 13.203 -4.889 1.00 0.00 O ATOM 275 CB VAL A 22 15.131 14.636 -7.657 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.416 15.426 -6.571 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.531 15.184 -7.892 1.00 0.00 C ATOM 0 H VAL A 22 13.152 13.066 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 22 15.793 12.616 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 22 14.564 14.741 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.383 16.479 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.400 15.049 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.952 15.317 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.469 16.241 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.124 15.067 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.004 14.637 -8.708 1.00 0.00 H new ATOM 287 N ARG A 23 17.121 12.634 -5.911 1.00 0.00 N ATOM 288 CA ARG A 23 17.859 12.457 -4.666 1.00 0.00 C ATOM 289 C ARG A 23 18.928 13.535 -4.509 1.00 0.00 C ATOM 290 O ARG A 23 19.964 13.499 -5.173 1.00 0.00 O ATOM 291 CB ARG A 23 18.507 11.072 -4.624 1.00 0.00 C ATOM 292 CG ARG A 23 17.509 9.930 -4.719 1.00 0.00 C ATOM 293 CD ARG A 23 18.000 8.697 -3.976 1.00 0.00 C ATOM 294 NE ARG A 23 19.298 8.243 -4.468 1.00 0.00 N ATOM 295 CZ ARG A 23 20.133 7.493 -3.757 1.00 0.00 C ATOM 296 NH1 ARG A 23 19.806 7.115 -2.529 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.296 7.120 -4.274 1.00 0.00 N ATOM 0 H ARG A 23 17.668 12.458 -6.754 1.00 0.00 H new ATOM 0 HA ARG A 23 17.154 12.546 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.221 10.989 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.073 10.973 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.551 10.247 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.338 9.681 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.074 8.920 -2.912 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.270 7.894 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 23 19.579 8.517 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 23 18.912 7.400 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.448 6.539 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.550 7.409 -5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 23 21.936 6.544 -3.727 1.00 0.00 H new ATOM 311 N LYS A 24 18.668 14.495 -3.628 1.00 0.00 N ATOM 312 CA LYS A 24 19.607 15.584 -3.383 1.00 0.00 C ATOM 313 C LYS A 24 21.005 15.044 -3.102 1.00 0.00 C ATOM 314 O LYS A 24 21.214 13.831 -3.049 1.00 0.00 O ATOM 315 CB LYS A 24 19.132 16.438 -2.205 1.00 0.00 C ATOM 316 CG LYS A 24 18.172 17.545 -2.604 1.00 0.00 C ATOM 317 CD LYS A 24 18.915 18.795 -3.046 1.00 0.00 C ATOM 318 CE LYS A 24 19.183 19.728 -1.874 1.00 0.00 C ATOM 319 NZ LYS A 24 18.078 20.708 -1.683 1.00 0.00 N ATOM 0 H LYS A 24 17.814 14.541 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 24 19.649 16.203 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.646 15.793 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.999 16.880 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.530 17.197 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.522 17.785 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 24 19.860 18.513 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.331 19.318 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.310 19.141 -0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.118 20.263 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.297 21.326 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.973 21.285 -2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.190 20.199 -1.498 1.00 0.00 H new ATOM 333 N ASP A 25 21.959 15.950 -2.922 1.00 0.00 N ATOM 334 CA ASP A 25 23.338 15.564 -2.644 1.00 0.00 C ATOM 335 C ASP A 25 23.450 14.894 -1.278 1.00 0.00 C ATOM 336 O ASP A 25 23.839 15.524 -0.296 1.00 0.00 O ATOM 337 CB ASP A 25 24.254 16.788 -2.702 1.00 0.00 C ATOM 338 CG ASP A 25 25.721 16.418 -2.600 1.00 0.00 C ATOM 339 OD1 ASP A 25 26.067 15.267 -2.937 1.00 0.00 O ATOM 340 OD2 ASP A 25 26.523 17.280 -2.183 1.00 0.00 O ATOM 0 H ASP A 25 21.803 16.957 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 25 23.650 14.850 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.081 17.324 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.997 17.470 -1.891 1.00 0.00 H new ATOM 345 N GLY A 26 23.104 13.611 -1.224 1.00 0.00 N ATOM 346 CA GLY A 26 23.171 12.877 0.026 1.00 0.00 C ATOM 347 C GLY A 26 21.802 12.633 0.630 1.00 0.00 C ATOM 348 O GLY A 26 21.621 12.754 1.841 1.00 0.00 O ATOM 0 H GLY A 26 22.779 13.067 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.665 11.920 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.785 13.431 0.736 1.00 0.00 H new ATOM 352 N GLN A 27 20.836 12.291 -0.217 1.00 0.00 N ATOM 353 CA GLN A 27 19.476 12.033 0.241 1.00 0.00 C ATOM 354 C GLN A 27 19.013 10.643 -0.184 1.00 0.00 C ATOM 355 O GLN A 27 19.119 10.274 -1.354 1.00 0.00 O ATOM 356 CB GLN A 27 18.520 13.092 -0.309 1.00 0.00 C ATOM 357 CG GLN A 27 17.088 12.928 0.172 1.00 0.00 C ATOM 358 CD GLN A 27 16.297 14.220 0.102 1.00 0.00 C ATOM 359 OE1 GLN A 27 16.109 14.901 1.110 1.00 0.00 O ATOM 360 NE2 GLN A 27 15.828 14.563 -1.092 1.00 0.00 N ATOM 0 H GLN A 27 20.970 12.186 -1.223 1.00 0.00 H new ATOM 0 HA GLN A 27 19.471 12.081 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.880 14.079 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.535 13.053 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.591 12.169 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 27 17.093 12.565 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 27 16.008 13.968 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.288 15.421 -1.200 1.00 0.00 H new ATOM 369 N SER A 28 18.501 9.877 0.773 1.00 0.00 N ATOM 370 CA SER A 28 18.025 8.526 0.499 1.00 0.00 C ATOM 371 C SER A 28 16.591 8.550 -0.020 1.00 0.00 C ATOM 372 O SER A 28 15.960 9.606 -0.089 1.00 0.00 O ATOM 373 CB SER A 28 18.109 7.667 1.762 1.00 0.00 C ATOM 374 OG SER A 28 19.419 7.678 2.301 1.00 0.00 O ATOM 0 H SER A 28 18.405 10.169 1.746 1.00 0.00 H new ATOM 0 HA SER A 28 18.663 8.091 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.404 8.038 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.817 6.643 1.529 1.00 0.00 H new ATOM 0 HG SER A 28 19.445 7.123 3.108 1.00 0.00 H new ATOM 380 N LEU A 29 16.081 7.379 -0.385 1.00 0.00 N ATOM 381 CA LEU A 29 14.720 7.263 -0.898 1.00 0.00 C ATOM 382 C LEU A 29 13.699 7.560 0.195 1.00 0.00 C ATOM 383 O LEU A 29 13.017 8.584 0.159 1.00 0.00 O ATOM 384 CB LEU A 29 14.485 5.861 -1.464 1.00 0.00 C ATOM 385 CG LEU A 29 13.391 5.741 -2.525 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.819 6.425 -3.814 1.00 0.00 C ATOM 387 CD2 LEU A 29 13.054 4.279 -2.781 1.00 0.00 C ATOM 0 H LEU A 29 16.589 6.496 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 29 14.595 7.996 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.421 5.503 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.237 5.194 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 29 12.496 6.240 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.027 6.329 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.009 7.481 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.728 5.956 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.273 4.213 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.944 3.756 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.703 3.819 -1.857 1.00 0.00 H new ATOM 399 N GLY A 30 13.601 6.659 1.168 1.00 0.00 N ATOM 400 CA GLY A 30 12.662 6.844 2.259 1.00 0.00 C ATOM 401 C GLY A 30 11.300 6.250 1.959 1.00 0.00 C ATOM 402 O GLY A 30 10.271 6.872 2.228 1.00 0.00 O ATOM 0 H GLY A 30 14.155 5.804 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.064 6.385 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.553 7.909 2.464 1.00 0.00 H new ATOM 406 N ILE A 31 11.292 5.045 1.399 1.00 0.00 N ATOM 407 CA ILE A 31 10.046 4.368 1.062 1.00 0.00 C ATOM 408 C ILE A 31 10.002 2.967 1.663 1.00 0.00 C ATOM 409 O ILE A 31 10.781 2.093 1.284 1.00 0.00 O ATOM 410 CB ILE A 31 9.855 4.267 -0.463 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.823 5.663 -1.088 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.578 3.506 -0.787 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.838 5.647 -2.601 1.00 0.00 C ATOM 0 H ILE A 31 12.134 4.518 1.169 1.00 0.00 H new ATOM 0 HA ILE A 31 9.238 4.966 1.482 1.00 0.00 H new ATOM 0 HB ILE A 31 10.698 3.720 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.929 6.185 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.681 6.233 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.457 3.443 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.637 2.501 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.724 4.028 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.814 6.670 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.745 5.154 -2.951 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.966 5.105 -2.968 1.00 0.00 H new ATOM 425 N ARG A 32 9.084 2.760 2.601 1.00 0.00 N ATOM 426 CA ARG A 32 8.937 1.465 3.254 1.00 0.00 C ATOM 427 C ARG A 32 7.946 0.584 2.498 1.00 0.00 C ATOM 428 O ARG A 32 6.895 1.051 2.060 1.00 0.00 O ATOM 429 CB ARG A 32 8.472 1.649 4.700 1.00 0.00 C ATOM 430 CG ARG A 32 9.407 2.507 5.536 1.00 0.00 C ATOM 431 CD ARG A 32 10.588 1.702 6.055 1.00 0.00 C ATOM 432 NE ARG A 32 11.741 2.549 6.351 1.00 0.00 N ATOM 433 CZ ARG A 32 12.635 2.918 5.441 1.00 0.00 C ATOM 434 NH1 ARG A 32 12.510 2.517 4.183 1.00 0.00 N ATOM 435 NH2 ARG A 32 13.657 3.690 5.787 1.00 0.00 N ATOM 0 H ARG A 32 8.431 3.473 2.926 1.00 0.00 H new ATOM 0 HA ARG A 32 9.910 0.973 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.481 2.102 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.375 0.670 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.770 3.342 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.858 2.933 6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.292 1.165 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.869 0.953 5.315 1.00 0.00 H new ATOM 0 HE ARG A 32 11.866 2.875 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.726 1.924 3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.198 2.802 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.757 4.001 6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.343 3.972 5.087 1.00 0.00 H new ATOM 449 N ILE A 33 8.290 -0.691 2.350 1.00 0.00 N ATOM 450 CA ILE A 33 7.431 -1.636 1.648 1.00 0.00 C ATOM 451 C ILE A 33 6.903 -2.708 2.596 1.00 0.00 C ATOM 452 O ILE A 33 7.393 -2.857 3.716 1.00 0.00 O ATOM 453 CB ILE A 33 8.176 -2.317 0.485 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.376 -3.106 1.011 1.00 0.00 C ATOM 455 CG2 ILE A 33 8.622 -1.282 -0.537 1.00 0.00 C ATOM 456 CD1 ILE A 33 9.720 -4.316 0.171 1.00 0.00 C ATOM 0 H ILE A 33 9.157 -1.093 2.707 1.00 0.00 H new ATOM 0 HA ILE A 33 6.594 -1.064 1.247 1.00 0.00 H new ATOM 0 HB ILE A 33 7.495 -3.013 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.243 -2.447 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.169 -3.429 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.147 -1.779 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.750 -0.761 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.289 -0.564 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.580 -4.827 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.869 -4.996 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.959 -3.998 -0.844 1.00 0.00 H new ATOM 468 N VAL A 34 5.902 -3.453 2.139 1.00 0.00 N ATOM 469 CA VAL A 34 5.309 -4.514 2.944 1.00 0.00 C ATOM 470 C VAL A 34 5.046 -5.760 2.105 1.00 0.00 C ATOM 471 O VAL A 34 4.775 -5.669 0.909 1.00 0.00 O ATOM 472 CB VAL A 34 3.989 -4.056 3.592 1.00 0.00 C ATOM 473 CG1 VAL A 34 2.849 -4.126 2.587 1.00 0.00 C ATOM 474 CG2 VAL A 34 3.679 -4.897 4.821 1.00 0.00 C ATOM 0 H VAL A 34 5.484 -3.341 1.215 1.00 0.00 H new ATOM 0 HA VAL A 34 6.026 -4.754 3.729 1.00 0.00 H new ATOM 0 HB VAL A 34 4.100 -3.019 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.924 -3.799 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.071 -3.477 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.734 -5.152 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.743 -4.560 5.266 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.587 -5.944 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.485 -4.791 5.547 1.00 0.00 H new ATOM 484 N GLY A 35 5.127 -6.924 2.742 1.00 0.00 N ATOM 485 CA GLY A 35 4.894 -8.172 2.039 1.00 0.00 C ATOM 486 C GLY A 35 3.521 -8.748 2.320 1.00 0.00 C ATOM 487 O GLY A 35 3.273 -9.283 3.402 1.00 0.00 O ATOM 0 H GLY A 35 5.350 -7.025 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.003 -8.007 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.655 -8.896 2.329 1.00 0.00 H new ATOM 491 N TYR A 36 2.624 -8.639 1.346 1.00 0.00 N ATOM 492 CA TYR A 36 1.267 -9.150 1.495 1.00 0.00 C ATOM 493 C TYR A 36 1.164 -10.581 0.977 1.00 0.00 C ATOM 494 O TYR A 36 1.917 -10.990 0.093 1.00 0.00 O ATOM 495 CB TYR A 36 0.277 -8.253 0.750 1.00 0.00 C ATOM 496 CG TYR A 36 -0.359 -7.197 1.625 1.00 0.00 C ATOM 497 CD1 TYR A 36 -1.484 -7.484 2.388 1.00 0.00 C ATOM 498 CD2 TYR A 36 0.165 -5.912 1.688 1.00 0.00 C ATOM 499 CE1 TYR A 36 -2.069 -6.521 3.188 1.00 0.00 C ATOM 500 CE2 TYR A 36 -0.412 -4.943 2.487 1.00 0.00 C ATOM 501 CZ TYR A 36 -1.530 -5.253 3.234 1.00 0.00 C ATOM 502 OH TYR A 36 -2.109 -4.291 4.030 1.00 0.00 O ATOM 0 H TYR A 36 2.813 -8.201 0.444 1.00 0.00 H new ATOM 0 HA TYR A 36 1.020 -9.149 2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.793 -7.765 -0.077 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.507 -8.873 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.909 -8.477 2.355 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.038 -5.666 1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.944 -6.761 3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.010 -3.949 2.526 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.606 -3.454 3.949 1.00 0.00 H new ATOM 624 N SER A 46 -2.370 -9.821 -2.741 1.00 0.00 N ATOM 625 CA SER A 46 -0.988 -10.230 -2.522 1.00 0.00 C ATOM 626 C SER A 46 -0.033 -9.391 -3.365 1.00 0.00 C ATOM 627 O SER A 46 -0.275 -9.154 -4.548 1.00 0.00 O ATOM 628 CB SER A 46 -0.814 -11.713 -2.858 1.00 0.00 C ATOM 629 OG SER A 46 -1.150 -11.973 -4.210 1.00 0.00 O ATOM 0 HA SER A 46 -0.751 -10.072 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.218 -12.012 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.443 -12.314 -2.202 1.00 0.00 H new ATOM 0 HG SER A 46 -1.858 -11.358 -4.495 1.00 0.00 H new ATOM 635 N GLY A 47 1.055 -8.943 -2.746 1.00 0.00 N ATOM 636 CA GLY A 47 2.032 -8.135 -3.453 1.00 0.00 C ATOM 637 C GLY A 47 2.774 -7.186 -2.533 1.00 0.00 C ATOM 638 O GLY A 47 2.621 -7.247 -1.313 1.00 0.00 O ATOM 0 H GLY A 47 1.277 -9.125 -1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.749 -8.789 -3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.530 -7.562 -4.232 1.00 0.00 H new ATOM 642 N ILE A 48 3.580 -6.307 -3.118 1.00 0.00 N ATOM 643 CA ILE A 48 4.349 -5.341 -2.342 1.00 0.00 C ATOM 644 C ILE A 48 3.650 -3.987 -2.303 1.00 0.00 C ATOM 645 O ILE A 48 3.391 -3.379 -3.342 1.00 0.00 O ATOM 646 CB ILE A 48 5.766 -5.159 -2.917 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.512 -6.495 -2.928 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.535 -4.124 -2.109 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.870 -6.999 -1.548 1.00 0.00 C ATOM 0 H ILE A 48 3.718 -6.243 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 48 4.425 -5.737 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 48 5.683 -4.803 -3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.896 -7.241 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.424 -6.387 -3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.535 -4.006 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.010 -3.169 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.611 -4.455 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.396 -7.950 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.512 -6.272 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.960 -7.139 -0.964 1.00 0.00 H new ATOM 661 N TYR A 49 3.349 -3.518 -1.097 1.00 0.00 N ATOM 662 CA TYR A 49 2.679 -2.234 -0.921 1.00 0.00 C ATOM 663 C TYR A 49 3.508 -1.304 -0.040 1.00 0.00 C ATOM 664 O TYR A 49 4.293 -1.755 0.793 1.00 0.00 O ATOM 665 CB TYR A 49 1.294 -2.438 -0.305 1.00 0.00 C ATOM 666 CG TYR A 49 0.374 -3.289 -1.152 1.00 0.00 C ATOM 667 CD1 TYR A 49 0.590 -4.655 -1.289 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.710 -2.727 -1.815 1.00 0.00 C ATOM 669 CE1 TYR A 49 -0.248 -5.436 -2.062 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.553 -3.500 -2.589 1.00 0.00 C ATOM 671 CZ TYR A 49 -1.318 -4.854 -2.710 1.00 0.00 C ATOM 672 OH TYR A 49 -2.154 -5.628 -3.481 1.00 0.00 O ATOM 0 H TYR A 49 3.558 -4.007 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 49 2.568 -1.773 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.406 -2.903 0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.830 -1.465 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.427 -5.114 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.897 -1.667 -1.723 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.066 -6.496 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.392 -3.047 -3.097 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.857 -5.065 -3.867 1.00 0.00 H new ATOM 682 N VAL A 50 3.325 -0.001 -0.232 1.00 0.00 N ATOM 683 CA VAL A 50 4.053 0.995 0.545 1.00 0.00 C ATOM 684 C VAL A 50 3.574 1.021 1.992 1.00 0.00 C ATOM 685 O VAL A 50 2.487 1.517 2.289 1.00 0.00 O ATOM 686 CB VAL A 50 3.899 2.402 -0.061 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.486 3.452 0.870 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.555 2.466 -1.432 1.00 0.00 C ATOM 0 H VAL A 50 2.679 0.389 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 50 5.105 0.710 0.519 1.00 0.00 H new ATOM 0 HB VAL A 50 2.836 2.612 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.368 4.440 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.966 3.421 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.545 3.249 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.437 3.468 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.616 2.235 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.083 1.741 -2.095 1.00 0.00 H new ATOM 698 N LYS A 51 4.392 0.484 2.891 1.00 0.00 N ATOM 699 CA LYS A 51 4.054 0.447 4.309 1.00 0.00 C ATOM 700 C LYS A 51 4.068 1.849 4.909 1.00 0.00 C ATOM 701 O LYS A 51 3.177 2.216 5.675 1.00 0.00 O ATOM 702 CB LYS A 51 5.035 -0.452 5.064 1.00 0.00 C ATOM 703 CG LYS A 51 4.680 -0.644 6.529 1.00 0.00 C ATOM 704 CD LYS A 51 3.424 -1.483 6.693 1.00 0.00 C ATOM 705 CE LYS A 51 2.198 -0.613 6.926 1.00 0.00 C ATOM 706 NZ LYS A 51 2.254 0.082 8.242 1.00 0.00 N ATOM 0 H LYS A 51 5.295 0.068 2.662 1.00 0.00 H new ATOM 0 HA LYS A 51 3.048 0.040 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.071 -1.426 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.035 -0.024 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.510 -1.126 7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.533 0.328 6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.274 -2.093 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.550 -2.168 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.120 0.126 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.301 -1.230 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.289 0.305 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.714 -0.535 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.799 0.963 8.147 1.00 0.00 H new ATOM 720 N SER A 52 5.084 2.629 4.554 1.00 0.00 N ATOM 721 CA SER A 52 5.214 3.991 5.060 1.00 0.00 C ATOM 722 C SER A 52 6.194 4.795 4.209 1.00 0.00 C ATOM 723 O SER A 52 6.916 4.239 3.381 1.00 0.00 O ATOM 724 CB SER A 52 5.681 3.974 6.517 1.00 0.00 C ATOM 725 OG SER A 52 4.589 3.786 7.400 1.00 0.00 O ATOM 0 H SER A 52 5.829 2.342 3.919 1.00 0.00 H new ATOM 0 HA SER A 52 4.235 4.468 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.410 3.176 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.185 4.911 6.752 1.00 0.00 H new ATOM 0 HG SER A 52 3.887 3.274 6.947 1.00 0.00 H new ATOM 731 N VAL A 53 6.212 6.107 4.420 1.00 0.00 N ATOM 732 CA VAL A 53 7.103 6.988 3.675 1.00 0.00 C ATOM 733 C VAL A 53 7.681 8.075 4.575 1.00 0.00 C ATOM 734 O VAL A 53 6.956 8.946 5.057 1.00 0.00 O ATOM 735 CB VAL A 53 6.374 7.652 2.491 1.00 0.00 C ATOM 736 CG1 VAL A 53 7.269 8.686 1.825 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.921 6.601 1.489 1.00 0.00 C ATOM 0 H VAL A 53 5.620 6.583 5.101 1.00 0.00 H new ATOM 0 HA VAL A 53 7.914 6.368 3.292 1.00 0.00 H new ATOM 0 HB VAL A 53 5.490 8.164 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.737 9.144 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.539 9.454 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.173 8.201 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.408 7.087 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.789 6.060 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.241 5.902 1.977 1.00 0.00 H new ATOM 747 N ILE A 54 8.989 8.016 4.798 1.00 0.00 N ATOM 748 CA ILE A 54 9.665 8.996 5.640 1.00 0.00 C ATOM 749 C ILE A 54 9.430 10.414 5.129 1.00 0.00 C ATOM 750 O ILE A 54 9.524 10.693 3.934 1.00 0.00 O ATOM 751 CB ILE A 54 11.180 8.732 5.707 1.00 0.00 C ATOM 752 CG1 ILE A 54 11.452 7.346 6.296 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.870 9.808 6.531 1.00 0.00 C ATOM 754 CD1 ILE A 54 11.336 6.226 5.285 1.00 0.00 C ATOM 0 H ILE A 54 9.602 7.300 4.408 1.00 0.00 H new ATOM 0 HA ILE A 54 9.243 8.897 6.640 1.00 0.00 H new ATOM 0 HB ILE A 54 11.584 8.763 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.453 7.333 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.752 7.163 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.941 9.607 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.700 10.782 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.465 9.807 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.542 5.273 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.328 6.212 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.055 6.385 4.482 1.00 0.00 H new ATOM 766 N PRO A 55 9.119 11.333 6.056 1.00 0.00 N ATOM 767 CA PRO A 55 8.867 12.738 5.724 1.00 0.00 C ATOM 768 C PRO A 55 10.133 13.466 5.285 1.00 0.00 C ATOM 769 O PRO A 55 11.245 13.002 5.532 1.00 0.00 O ATOM 770 CB PRO A 55 8.341 13.324 7.036 1.00 0.00 C ATOM 771 CG PRO A 55 8.911 12.447 8.098 1.00 0.00 C ATOM 772 CD PRO A 55 8.990 11.070 7.499 1.00 0.00 C ATOM 0 HA PRO A 55 8.175 12.841 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.660 14.359 7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.251 13.321 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.897 12.796 8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.280 12.450 8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.844 10.513 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.099 10.483 7.722 1.00 0.00 H new ATOM 780 N GLY A 56 9.956 14.612 4.633 1.00 0.00 N ATOM 781 CA GLY A 56 11.093 15.386 4.171 1.00 0.00 C ATOM 782 C GLY A 56 12.052 14.564 3.332 1.00 0.00 C ATOM 783 O GLY A 56 13.256 14.816 3.327 1.00 0.00 O ATOM 0 H GLY A 56 9.045 15.018 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.738 16.234 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.625 15.793 5.031 1.00 0.00 H new ATOM 787 N SER A 57 11.517 13.575 2.623 1.00 0.00 N ATOM 788 CA SER A 57 12.334 12.709 1.781 1.00 0.00 C ATOM 789 C SER A 57 11.972 12.884 0.309 1.00 0.00 C ATOM 790 O SER A 57 11.125 13.706 -0.040 1.00 0.00 O ATOM 791 CB SER A 57 12.155 11.247 2.191 1.00 0.00 C ATOM 792 OG SER A 57 10.968 10.703 1.638 1.00 0.00 O ATOM 0 H SER A 57 10.521 13.354 2.615 1.00 0.00 H new ATOM 0 HA SER A 57 13.378 12.992 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.015 10.665 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.121 11.173 3.278 1.00 0.00 H new ATOM 0 HG SER A 57 10.285 10.629 2.337 1.00 0.00 H new ATOM 798 N ALA A 58 12.621 12.105 -0.550 1.00 0.00 N ATOM 799 CA ALA A 58 12.368 12.172 -1.984 1.00 0.00 C ATOM 800 C ALA A 58 10.945 11.731 -2.311 1.00 0.00 C ATOM 801 O ALA A 58 10.228 12.411 -3.044 1.00 0.00 O ATOM 802 CB ALA A 58 13.374 11.315 -2.738 1.00 0.00 C ATOM 0 H ALA A 58 13.326 11.420 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 58 12.481 13.209 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.173 11.374 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.383 11.677 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.288 10.279 -2.410 1.00 0.00 H new ATOM 808 N ALA A 59 10.543 10.589 -1.762 1.00 0.00 N ATOM 809 CA ALA A 59 9.206 10.059 -1.995 1.00 0.00 C ATOM 810 C ALA A 59 8.139 11.003 -1.452 1.00 0.00 C ATOM 811 O ALA A 59 7.229 11.409 -2.176 1.00 0.00 O ATOM 812 CB ALA A 59 9.066 8.682 -1.361 1.00 0.00 C ATOM 0 H ALA A 59 11.125 10.014 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 59 9.061 9.968 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.062 8.298 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.799 8.004 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.237 8.757 -0.287 1.00 0.00 H new ATOM 818 N TYR A 60 8.256 11.349 -0.175 1.00 0.00 N ATOM 819 CA TYR A 60 7.299 12.244 0.465 1.00 0.00 C ATOM 820 C TYR A 60 7.219 13.576 -0.275 1.00 0.00 C ATOM 821 O TYR A 60 6.142 14.004 -0.692 1.00 0.00 O ATOM 822 CB TYR A 60 7.689 12.482 1.925 1.00 0.00 C ATOM 823 CG TYR A 60 6.752 13.416 2.657 1.00 0.00 C ATOM 824 CD1 TYR A 60 5.612 12.935 3.289 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.008 14.780 2.718 1.00 0.00 C ATOM 826 CE1 TYR A 60 4.754 13.785 3.959 1.00 0.00 C ATOM 827 CE2 TYR A 60 6.156 15.638 3.387 1.00 0.00 C ATOM 828 CZ TYR A 60 5.030 15.136 4.005 1.00 0.00 C ATOM 829 OH TYR A 60 4.178 15.986 4.672 1.00 0.00 O ATOM 0 H TYR A 60 9.004 11.023 0.437 1.00 0.00 H new ATOM 0 HA TYR A 60 6.318 11.770 0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.715 11.525 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.698 12.892 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.393 11.878 3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.888 15.177 2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.872 13.394 4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.371 16.696 3.426 1.00 0.00 H new ATOM 0 HH TYR A 60 4.517 16.903 4.610 1.00 0.00 H new ATOM 839 N HIS A 61 8.367 14.226 -0.435 1.00 0.00 N ATOM 840 CA HIS A 61 8.429 15.509 -1.126 1.00 0.00 C ATOM 841 C HIS A 61 7.672 15.451 -2.449 1.00 0.00 C ATOM 842 O HIS A 61 6.810 16.285 -2.720 1.00 0.00 O ATOM 843 CB HIS A 61 9.883 15.909 -1.374 1.00 0.00 C ATOM 844 CG HIS A 61 10.569 16.460 -0.161 1.00 0.00 C ATOM 845 ND1 HIS A 61 9.966 17.346 0.707 1.00 0.00 N ATOM 846 CD2 HIS A 61 11.812 16.244 0.328 1.00 0.00 C ATOM 847 CE1 HIS A 61 10.809 17.652 1.676 1.00 0.00 C ATOM 848 NE2 HIS A 61 11.937 16.996 1.470 1.00 0.00 N ATOM 0 H HIS A 61 9.267 13.886 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 61 7.957 16.259 -0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.435 15.039 -1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.916 16.654 -2.169 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.566 15.600 -0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.610 18.324 2.497 1.00 0.00 H new ATOM 0 HE2 HIS A 61 12.766 17.041 2.063 1.00 0.00 H new ATOM 857 N ASN A 62 8.002 14.459 -3.271 1.00 0.00 N ATOM 858 CA ASN A 62 7.354 14.293 -4.567 1.00 0.00 C ATOM 859 C ASN A 62 5.836 14.339 -4.426 1.00 0.00 C ATOM 860 O ASN A 62 5.160 15.095 -5.124 1.00 0.00 O ATOM 861 CB ASN A 62 7.778 12.969 -5.206 1.00 0.00 C ATOM 862 CG ASN A 62 7.809 13.042 -6.720 1.00 0.00 C ATOM 863 OD1 ASN A 62 8.272 14.026 -7.297 1.00 0.00 O ATOM 864 ND2 ASN A 62 7.313 11.996 -7.373 1.00 0.00 N ATOM 0 H ASN A 62 8.714 13.759 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 62 7.666 15.116 -5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.766 12.691 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.090 12.183 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.306 11.988 -8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.939 11.201 -6.854 1.00 0.00 H new ATOM 871 N GLY A 63 5.306 13.526 -3.518 1.00 0.00 N ATOM 872 CA GLY A 63 3.871 13.490 -3.301 1.00 0.00 C ATOM 873 C GLY A 63 3.156 12.606 -4.304 1.00 0.00 C ATOM 874 O GLY A 63 2.024 12.891 -4.696 1.00 0.00 O ATOM 0 H GLY A 63 5.844 12.891 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.668 13.129 -2.293 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.471 14.502 -3.363 1.00 0.00 H new ATOM 878 N HIS A 64 3.817 11.532 -4.721 1.00 0.00 N ATOM 879 CA HIS A 64 3.237 10.604 -5.686 1.00 0.00 C ATOM 880 C HIS A 64 3.320 9.168 -5.176 1.00 0.00 C ATOM 881 O HIS A 64 2.471 8.336 -5.497 1.00 0.00 O ATOM 882 CB HIS A 64 3.953 10.721 -7.032 1.00 0.00 C ATOM 883 CG HIS A 64 3.502 11.893 -7.849 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.222 11.807 -9.197 1.00 0.00 N ATOM 885 CD2 HIS A 64 3.283 13.182 -7.503 1.00 0.00 C ATOM 886 CE1 HIS A 64 2.851 12.993 -9.644 1.00 0.00 C ATOM 887 NE2 HIS A 64 2.879 13.845 -8.635 1.00 0.00 N ATOM 0 H HIS A 64 4.755 11.282 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 64 2.187 10.865 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.026 10.801 -6.858 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.790 9.806 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.404 13.610 -6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.572 13.226 -10.661 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.639 14.835 -8.688 1.00 0.00 H new ATOM 896 N ILE A 65 4.346 8.886 -4.381 1.00 0.00 N ATOM 897 CA ILE A 65 4.539 7.551 -3.828 1.00 0.00 C ATOM 898 C ILE A 65 4.375 7.556 -2.311 1.00 0.00 C ATOM 899 O ILE A 65 5.256 8.012 -1.584 1.00 0.00 O ATOM 900 CB ILE A 65 5.929 6.990 -4.180 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.163 7.061 -5.691 1.00 0.00 C ATOM 902 CG2 ILE A 65 6.063 5.558 -3.685 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.616 7.242 -6.069 1.00 0.00 C ATOM 0 H ILE A 65 5.057 9.564 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 65 3.776 6.912 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 65 6.686 7.597 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.787 6.148 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.583 7.888 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.051 5.175 -3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.934 5.533 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.300 4.938 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.707 7.284 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.991 8.170 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.198 6.403 -5.688 1.00 0.00 H new ATOM 915 N GLN A 66 3.241 7.045 -1.843 1.00 0.00 N ATOM 916 CA GLN A 66 2.962 6.989 -0.413 1.00 0.00 C ATOM 917 C GLN A 66 2.139 5.753 -0.066 1.00 0.00 C ATOM 918 O GLN A 66 1.758 4.981 -0.946 1.00 0.00 O ATOM 919 CB GLN A 66 2.222 8.251 0.033 1.00 0.00 C ATOM 920 CG GLN A 66 1.106 8.668 -0.912 1.00 0.00 C ATOM 921 CD GLN A 66 1.591 9.585 -2.017 1.00 0.00 C ATOM 922 OE1 GLN A 66 2.421 10.466 -1.790 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.074 9.383 -3.224 1.00 0.00 N ATOM 0 H GLN A 66 2.501 6.664 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 66 3.914 6.928 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.803 8.085 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.937 9.069 0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.657 7.778 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.323 9.171 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.389 8.641 -3.368 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.362 9.970 -4.007 1.00 0.00 H new ATOM 932 N VAL A 67 1.869 5.570 1.223 1.00 0.00 N ATOM 933 CA VAL A 67 1.091 4.428 1.686 1.00 0.00 C ATOM 934 C VAL A 67 -0.106 4.173 0.777 1.00 0.00 C ATOM 935 O VAL A 67 -0.514 5.046 0.012 1.00 0.00 O ATOM 936 CB VAL A 67 0.591 4.637 3.128 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.763 4.849 4.074 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.375 5.810 3.192 1.00 0.00 C ATOM 0 H VAL A 67 2.178 6.198 1.965 1.00 0.00 H new ATOM 0 HA VAL A 67 1.754 3.563 1.661 1.00 0.00 H new ATOM 0 HB VAL A 67 0.058 3.740 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.390 4.995 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.414 3.975 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.326 5.729 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.718 5.943 4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.130 6.716 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.230 5.612 2.546 1.00 0.00 H new ATOM 948 N ASN A 68 -0.666 2.971 0.868 1.00 0.00 N ATOM 949 CA ASN A 68 -1.817 2.601 0.053 1.00 0.00 C ATOM 950 C ASN A 68 -1.455 2.593 -1.429 1.00 0.00 C ATOM 951 O ASN A 68 -2.188 3.130 -2.261 1.00 0.00 O ATOM 952 CB ASN A 68 -2.976 3.569 0.301 1.00 0.00 C ATOM 953 CG ASN A 68 -3.436 3.562 1.746 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.082 2.670 2.517 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.230 4.558 2.119 1.00 0.00 N ATOM 0 H ASN A 68 -0.341 2.237 1.498 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.124 1.595 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.669 4.578 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.813 3.303 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.572 4.605 3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.498 5.276 1.446 1.00 0.00 H new ATOM 962 N ASP A 69 -0.321 1.982 -1.752 1.00 0.00 N ATOM 963 CA ASP A 69 0.138 1.902 -3.134 1.00 0.00 C ATOM 964 C ASP A 69 0.883 0.594 -3.385 1.00 0.00 C ATOM 965 O ASP A 69 1.621 0.113 -2.525 1.00 0.00 O ATOM 966 CB ASP A 69 1.044 3.090 -3.462 1.00 0.00 C ATOM 967 CG ASP A 69 0.260 4.315 -3.890 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.261 4.319 -5.025 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.167 5.270 -3.090 1.00 0.00 O ATOM 0 H ASP A 69 0.298 1.535 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.737 1.931 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.647 3.335 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.734 2.808 -4.257 1.00 0.00 H new ATOM 974 N LYS A 70 0.684 0.024 -4.568 1.00 0.00 N ATOM 975 CA LYS A 70 1.336 -1.228 -4.933 1.00 0.00 C ATOM 976 C LYS A 70 2.440 -0.988 -5.959 1.00 0.00 C ATOM 977 O LYS A 70 2.201 -0.402 -7.015 1.00 0.00 O ATOM 978 CB LYS A 70 0.311 -2.216 -5.494 1.00 0.00 C ATOM 979 CG LYS A 70 0.660 -3.671 -5.229 1.00 0.00 C ATOM 980 CD LYS A 70 0.078 -4.587 -6.292 1.00 0.00 C ATOM 981 CE LYS A 70 1.048 -4.787 -7.446 1.00 0.00 C ATOM 982 NZ LYS A 70 2.238 -5.585 -7.039 1.00 0.00 N ATOM 0 H LYS A 70 0.076 0.409 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 70 1.785 -1.650 -4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.665 -2.000 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.222 -2.063 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.743 -3.787 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.283 -3.964 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.166 -5.552 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.854 -4.164 -6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.537 -5.290 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.373 -3.816 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.673 -6.013 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.928 -4.964 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.944 -6.335 -6.382 1.00 0.00 H new ATOM 996 N ILE A 71 3.646 -1.445 -5.641 1.00 0.00 N ATOM 997 CA ILE A 71 4.785 -1.281 -6.536 1.00 0.00 C ATOM 998 C ILE A 71 5.011 -2.536 -7.372 1.00 0.00 C ATOM 999 O ILE A 71 5.096 -3.643 -6.840 1.00 0.00 O ATOM 1000 CB ILE A 71 6.073 -0.959 -5.755 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.854 0.253 -4.846 1.00 0.00 C ATOM 1002 CG2 ILE A 71 7.225 -0.706 -6.716 1.00 0.00 C ATOM 1003 CD1 ILE A 71 6.950 0.444 -3.821 1.00 0.00 C ATOM 0 H ILE A 71 3.860 -1.932 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 71 4.551 -0.445 -7.195 1.00 0.00 H new ATOM 0 HB ILE A 71 6.327 -1.816 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.782 1.150 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.900 0.143 -4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.128 -0.480 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.392 -1.594 -7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.981 0.137 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.730 1.321 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.008 -0.437 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.903 0.586 -4.330 1.00 0.00 H new ATOM 1015 N VAL A 72 5.110 -2.355 -8.686 1.00 0.00 N ATOM 1016 CA VAL A 72 5.330 -3.472 -9.596 1.00 0.00 C ATOM 1017 C VAL A 72 6.760 -3.476 -10.127 1.00 0.00 C ATOM 1018 O VAL A 72 7.331 -4.533 -10.392 1.00 0.00 O ATOM 1019 CB VAL A 72 4.353 -3.427 -10.786 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.961 -3.860 -10.351 1.00 0.00 C ATOM 1021 CG2 VAL A 72 4.320 -2.034 -11.396 1.00 0.00 C ATOM 0 H VAL A 72 5.041 -1.446 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 72 5.155 -4.384 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 72 4.703 -4.124 -11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.285 -3.822 -11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.001 -4.879 -9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.599 -3.190 -9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.625 -2.021 -12.235 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.995 -1.315 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.317 -1.767 -11.746 1.00 0.00 H new ATOM 1031 N ALA A 73 7.331 -2.286 -10.278 1.00 0.00 N ATOM 1032 CA ALA A 73 8.695 -2.151 -10.775 1.00 0.00 C ATOM 1033 C ALA A 73 9.386 -0.939 -10.159 1.00 0.00 C ATOM 1034 O ALA A 73 8.804 0.142 -10.073 1.00 0.00 O ATOM 1035 CB ALA A 73 8.697 -2.048 -12.293 1.00 0.00 C ATOM 0 H ALA A 73 6.871 -1.401 -10.063 1.00 0.00 H new ATOM 0 HA ALA A 73 9.252 -3.041 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.722 -1.948 -12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.251 -2.947 -12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.119 -1.176 -12.599 1.00 0.00 H new ATOM 1041 N VAL A 74 10.631 -1.127 -9.733 1.00 0.00 N ATOM 1042 CA VAL A 74 11.402 -0.049 -9.125 1.00 0.00 C ATOM 1043 C VAL A 74 12.473 0.467 -10.080 1.00 0.00 C ATOM 1044 O VAL A 74 13.387 -0.265 -10.457 1.00 0.00 O ATOM 1045 CB VAL A 74 12.074 -0.507 -7.817 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.906 0.619 -7.222 1.00 0.00 C ATOM 1047 CG2 VAL A 74 11.029 -0.991 -6.823 1.00 0.00 C ATOM 0 H VAL A 74 11.127 -2.016 -9.798 1.00 0.00 H new ATOM 0 HA VAL A 74 10.700 0.755 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 74 12.741 -1.339 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 74 13.373 0.277 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.679 0.915 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.263 1.473 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.521 -1.311 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.336 -0.180 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.480 -1.830 -7.252 1.00 0.00 H new ATOM 1057 N ASP A 75 12.352 1.732 -10.467 1.00 0.00 N ATOM 1058 CA ASP A 75 13.311 2.347 -11.378 1.00 0.00 C ATOM 1059 C ASP A 75 13.523 1.477 -12.613 1.00 0.00 C ATOM 1060 O ASP A 75 14.628 1.401 -13.149 1.00 0.00 O ATOM 1061 CB ASP A 75 14.645 2.579 -10.667 1.00 0.00 C ATOM 1062 CG ASP A 75 15.374 1.284 -10.366 1.00 0.00 C ATOM 1063 OD1 ASP A 75 16.125 0.809 -11.243 1.00 0.00 O ATOM 1064 OD2 ASP A 75 15.192 0.745 -9.254 1.00 0.00 O ATOM 0 H ASP A 75 11.600 2.351 -10.165 1.00 0.00 H new ATOM 0 HA ASP A 75 12.907 3.307 -11.698 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.278 3.213 -11.287 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.468 3.118 -9.736 1.00 0.00 H new ATOM 1069 N GLY A 76 12.456 0.822 -13.059 1.00 0.00 N ATOM 1070 CA GLY A 76 12.546 -0.035 -14.227 1.00 0.00 C ATOM 1071 C GLY A 76 12.686 -1.500 -13.862 1.00 0.00 C ATOM 1072 O GLY A 76 12.356 -2.379 -14.658 1.00 0.00 O ATOM 0 H GLY A 76 11.531 0.869 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.656 0.100 -14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.400 0.269 -14.832 1.00 0.00 H new ATOM 1076 N VAL A 77 13.177 -1.763 -12.655 1.00 0.00 N ATOM 1077 CA VAL A 77 13.360 -3.131 -12.186 1.00 0.00 C ATOM 1078 C VAL A 77 12.021 -3.784 -11.858 1.00 0.00 C ATOM 1079 O VAL A 77 11.372 -3.430 -10.875 1.00 0.00 O ATOM 1080 CB VAL A 77 14.262 -3.182 -10.939 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.386 -4.608 -10.427 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.632 -2.597 -11.250 1.00 0.00 C ATOM 0 H VAL A 77 13.455 -1.046 -11.984 1.00 0.00 H new ATOM 0 HA VAL A 77 13.841 -3.680 -12.995 1.00 0.00 H new ATOM 0 HB VAL A 77 13.804 -2.579 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 77 15.027 -4.624 -9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.399 -4.987 -10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.821 -5.237 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.257 -2.641 -10.358 1.00 0.00 H new ATOM 0 HG22 VAL A 77 16.100 -3.171 -12.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.522 -1.559 -11.565 1.00 0.00 H new ATOM 1092 N ASN A 78 11.615 -4.738 -12.689 1.00 0.00 N ATOM 1093 CA ASN A 78 10.353 -5.441 -12.487 1.00 0.00 C ATOM 1094 C ASN A 78 10.415 -6.326 -11.246 1.00 0.00 C ATOM 1095 O ASN A 78 10.809 -7.490 -11.320 1.00 0.00 O ATOM 1096 CB ASN A 78 10.015 -6.289 -13.715 1.00 0.00 C ATOM 1097 CG ASN A 78 8.541 -6.636 -13.790 1.00 0.00 C ATOM 1098 OD1 ASN A 78 8.155 -7.793 -13.623 1.00 0.00 O ATOM 1099 ND2 ASN A 78 7.709 -5.633 -14.043 1.00 0.00 N ATOM 0 H ASN A 78 12.141 -5.042 -13.508 1.00 0.00 H new ATOM 0 HA ASN A 78 9.571 -4.696 -12.341 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.305 -5.749 -14.617 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.601 -7.208 -13.691 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.706 -5.806 -14.106 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.073 -4.689 -14.175 1.00 0.00 H new ATOM 1106 N ILE A 79 10.024 -5.765 -10.106 1.00 0.00 N ATOM 1107 CA ILE A 79 10.034 -6.503 -8.849 1.00 0.00 C ATOM 1108 C ILE A 79 8.781 -7.361 -8.706 1.00 0.00 C ATOM 1109 O ILE A 79 8.422 -7.772 -7.603 1.00 0.00 O ATOM 1110 CB ILE A 79 10.134 -5.555 -7.640 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.848 -4.738 -7.497 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.338 -4.636 -7.786 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.503 -4.401 -6.063 1.00 0.00 C ATOM 0 H ILE A 79 9.697 -4.802 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 79 10.913 -7.147 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 79 10.265 -6.153 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.950 -3.813 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.022 -5.295 -7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.395 -3.972 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.247 -5.234 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.235 -4.043 -8.695 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.580 -3.821 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.369 -5.322 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.311 -3.817 -5.622 1.00 0.00 H new ATOM 1125 N GLN A 80 8.122 -7.628 -9.829 1.00 0.00 N ATOM 1126 CA GLN A 80 6.910 -8.439 -9.828 1.00 0.00 C ATOM 1127 C GLN A 80 7.178 -9.818 -9.235 1.00 0.00 C ATOM 1128 O GLN A 80 7.536 -10.753 -9.949 1.00 0.00 O ATOM 1129 CB GLN A 80 6.364 -8.580 -11.250 1.00 0.00 C ATOM 1130 CG GLN A 80 5.740 -7.303 -11.791 1.00 0.00 C ATOM 1131 CD GLN A 80 5.102 -7.498 -13.152 1.00 0.00 C ATOM 1132 OE1 GLN A 80 5.248 -8.550 -13.775 1.00 0.00 O ATOM 1133 NE2 GLN A 80 4.389 -6.481 -13.623 1.00 0.00 N ATOM 0 H GLN A 80 8.407 -7.295 -10.750 1.00 0.00 H new ATOM 0 HA GLN A 80 6.167 -7.936 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.173 -8.888 -11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.618 -9.375 -11.267 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.987 -6.945 -11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.505 -6.530 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.294 -5.627 -13.073 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.937 -6.554 -14.534 1.00 0.00 H new ATOM 1142 N GLY A 81 7.002 -9.937 -7.922 1.00 0.00 N ATOM 1143 CA GLY A 81 7.229 -11.205 -7.255 1.00 0.00 C ATOM 1144 C GLY A 81 8.574 -11.260 -6.557 1.00 0.00 C ATOM 1145 O GLY A 81 9.163 -12.331 -6.412 1.00 0.00 O ATOM 0 H GLY A 81 6.706 -9.177 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.437 -11.375 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.169 -12.012 -7.985 1.00 0.00 H new ATOM 1149 N PHE A 82 9.062 -10.102 -6.125 1.00 0.00 N ATOM 1150 CA PHE A 82 10.347 -10.022 -5.441 1.00 0.00 C ATOM 1151 C PHE A 82 10.172 -10.179 -3.933 1.00 0.00 C ATOM 1152 O PHE A 82 9.169 -9.748 -3.366 1.00 0.00 O ATOM 1153 CB PHE A 82 11.032 -8.689 -5.750 1.00 0.00 C ATOM 1154 CG PHE A 82 11.820 -8.702 -7.028 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.343 -9.368 -8.146 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.039 -8.050 -7.113 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.065 -9.382 -9.324 1.00 0.00 C ATOM 1158 CE2 PHE A 82 13.767 -8.060 -8.288 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.280 -8.728 -9.394 1.00 0.00 C ATOM 0 H PHE A 82 8.587 -9.206 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 82 10.974 -10.837 -5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.276 -7.906 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.697 -8.431 -4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.395 -9.883 -8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.426 -7.527 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.680 -9.903 -10.188 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.715 -7.546 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.848 -8.739 -10.312 1.00 0.00 H new ATOM 1169 N ALA A 83 11.156 -10.800 -3.290 1.00 0.00 N ATOM 1170 CA ALA A 83 11.112 -11.012 -1.849 1.00 0.00 C ATOM 1171 C ALA A 83 11.243 -9.693 -1.095 1.00 0.00 C ATOM 1172 O ALA A 83 12.045 -8.836 -1.461 1.00 0.00 O ATOM 1173 CB ALA A 83 12.209 -11.977 -1.424 1.00 0.00 C ATOM 0 H ALA A 83 11.993 -11.165 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 83 10.144 -11.447 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.164 -12.126 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.068 -12.933 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.181 -11.564 -1.693 1.00 0.00 H new ATOM 1179 N ASN A 84 10.449 -9.538 -0.041 1.00 0.00 N ATOM 1180 CA ASN A 84 10.475 -8.322 0.764 1.00 0.00 C ATOM 1181 C ASN A 84 11.885 -7.741 0.825 1.00 0.00 C ATOM 1182 O ASN A 84 12.075 -6.531 0.699 1.00 0.00 O ATOM 1183 CB ASN A 84 9.969 -8.611 2.179 1.00 0.00 C ATOM 1184 CG ASN A 84 8.462 -8.483 2.291 1.00 0.00 C ATOM 1185 OD1 ASN A 84 7.772 -9.435 2.655 1.00 0.00 O ATOM 1186 ND2 ASN A 84 7.944 -7.301 1.977 1.00 0.00 N ATOM 0 H ASN A 84 9.779 -10.239 0.276 1.00 0.00 H new ATOM 0 HA ASN A 84 9.819 -7.590 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.268 -9.618 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.443 -7.923 2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.936 -7.155 2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.554 -6.539 1.680 1.00 0.00 H new ATOM 1193 N HIS A 85 12.870 -8.612 1.018 1.00 0.00 N ATOM 1194 CA HIS A 85 14.263 -8.186 1.094 1.00 0.00 C ATOM 1195 C HIS A 85 14.794 -7.813 -0.287 1.00 0.00 C ATOM 1196 O HIS A 85 15.422 -6.768 -0.459 1.00 0.00 O ATOM 1197 CB HIS A 85 15.125 -9.294 1.702 1.00 0.00 C ATOM 1198 CG HIS A 85 14.808 -10.658 1.171 1.00 0.00 C ATOM 1199 ND1 HIS A 85 13.816 -11.459 1.697 1.00 0.00 N ATOM 1200 CD2 HIS A 85 15.358 -11.362 0.154 1.00 0.00 C ATOM 1201 CE1 HIS A 85 13.770 -12.597 1.028 1.00 0.00 C ATOM 1202 NE2 HIS A 85 14.695 -12.563 0.086 1.00 0.00 N ATOM 0 H HIS A 85 12.730 -9.617 1.125 1.00 0.00 H new ATOM 0 HA HIS A 85 14.313 -7.305 1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.175 -9.073 1.510 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.992 -9.294 2.784 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.167 -11.040 -0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.092 -13.416 1.219 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.886 -13.308 -0.584 1.00 0.00 H new ATOM 1211 N ASP A 86 14.537 -8.673 -1.266 1.00 0.00 N ATOM 1212 CA ASP A 86 14.988 -8.433 -2.632 1.00 0.00 C ATOM 1213 C ASP A 86 14.627 -7.021 -3.083 1.00 0.00 C ATOM 1214 O ASP A 86 15.395 -6.370 -3.792 1.00 0.00 O ATOM 1215 CB ASP A 86 14.371 -9.459 -3.583 1.00 0.00 C ATOM 1216 CG ASP A 86 15.183 -10.737 -3.662 1.00 0.00 C ATOM 1217 OD1 ASP A 86 14.945 -11.643 -2.836 1.00 0.00 O ATOM 1218 OD2 ASP A 86 16.055 -10.832 -4.550 1.00 0.00 O ATOM 0 H ASP A 86 14.019 -9.542 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 86 16.073 -8.536 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.360 -9.695 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.287 -9.023 -4.579 1.00 0.00 H new ATOM 1223 N VAL A 87 13.453 -6.555 -2.669 1.00 0.00 N ATOM 1224 CA VAL A 87 12.990 -5.220 -3.031 1.00 0.00 C ATOM 1225 C VAL A 87 13.794 -4.145 -2.309 1.00 0.00 C ATOM 1226 O VAL A 87 14.116 -3.105 -2.883 1.00 0.00 O ATOM 1227 CB VAL A 87 11.497 -5.036 -2.703 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.026 -3.650 -3.116 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.666 -6.115 -3.380 1.00 0.00 C ATOM 0 H VAL A 87 12.805 -7.082 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 87 13.134 -5.116 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 87 11.365 -5.131 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.969 -3.539 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.601 -2.895 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.170 -3.521 -4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.613 -5.969 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.801 -6.054 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.987 -7.096 -3.029 1.00 0.00 H new ATOM 1239 N VAL A 88 14.117 -4.404 -1.046 1.00 0.00 N ATOM 1240 CA VAL A 88 14.886 -3.459 -0.244 1.00 0.00 C ATOM 1241 C VAL A 88 16.211 -3.119 -0.916 1.00 0.00 C ATOM 1242 O VAL A 88 16.522 -1.950 -1.142 1.00 0.00 O ATOM 1243 CB VAL A 88 15.165 -4.015 1.165 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.039 -3.053 1.955 1.00 0.00 C ATOM 1245 CG2 VAL A 88 13.860 -4.288 1.898 1.00 0.00 C ATOM 0 H VAL A 88 13.858 -5.260 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 88 14.284 -2.555 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 88 15.703 -4.958 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.226 -3.462 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.987 -2.913 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.531 -2.093 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.076 -4.680 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.293 -3.361 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.275 -5.018 1.339 1.00 0.00 H new ATOM 1255 N GLU A 89 16.989 -4.149 -1.234 1.00 0.00 N ATOM 1256 CA GLU A 89 18.282 -3.959 -1.881 1.00 0.00 C ATOM 1257 C GLU A 89 18.124 -3.214 -3.204 1.00 0.00 C ATOM 1258 O GLU A 89 18.952 -2.376 -3.560 1.00 0.00 O ATOM 1259 CB GLU A 89 18.961 -5.309 -2.121 1.00 0.00 C ATOM 1260 CG GLU A 89 18.265 -6.163 -3.167 1.00 0.00 C ATOM 1261 CD GLU A 89 19.112 -7.337 -3.619 1.00 0.00 C ATOM 1262 OE1 GLU A 89 19.310 -8.270 -2.813 1.00 0.00 O ATOM 1263 OE2 GLU A 89 19.578 -7.322 -4.778 1.00 0.00 O ATOM 0 H GLU A 89 16.746 -5.123 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 89 18.906 -3.360 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 19.992 -5.138 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.998 -5.860 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.324 -6.534 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.018 -5.545 -4.030 1.00 0.00 H new ATOM 1270 N VAL A 90 17.055 -3.528 -3.928 1.00 0.00 N ATOM 1271 CA VAL A 90 16.787 -2.889 -5.212 1.00 0.00 C ATOM 1272 C VAL A 90 16.718 -1.373 -5.067 1.00 0.00 C ATOM 1273 O VAL A 90 17.253 -0.634 -5.894 1.00 0.00 O ATOM 1274 CB VAL A 90 15.469 -3.396 -5.827 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.185 -2.685 -7.141 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.520 -4.903 -6.027 1.00 0.00 C ATOM 0 H VAL A 90 16.360 -4.220 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 90 17.612 -3.150 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 90 14.656 -3.171 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.250 -3.056 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.103 -1.613 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.998 -2.876 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.581 -5.244 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.343 -5.154 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.673 -5.393 -5.065 1.00 0.00 H new ATOM 1286 N LEU A 91 16.055 -0.915 -4.011 1.00 0.00 N ATOM 1287 CA LEU A 91 15.915 0.515 -3.756 1.00 0.00 C ATOM 1288 C LEU A 91 17.275 1.158 -3.503 1.00 0.00 C ATOM 1289 O LEU A 91 17.599 2.196 -4.081 1.00 0.00 O ATOM 1290 CB LEU A 91 14.995 0.752 -2.558 1.00 0.00 C ATOM 1291 CG LEU A 91 13.620 0.088 -2.626 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.007 -0.013 -1.238 1.00 0.00 C ATOM 1293 CD2 LEU A 91 12.701 0.859 -3.562 1.00 0.00 C ATOM 0 H LEU A 91 15.606 -1.513 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 91 15.475 0.976 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.503 0.399 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.852 1.826 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 91 13.744 -0.921 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.028 -0.488 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.656 -0.609 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.897 0.986 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 91 11.727 0.372 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.583 1.879 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.134 0.879 -4.562 1.00 0.00 H new ATOM 1305 N ARG A 92 18.067 0.534 -2.638 1.00 0.00 N ATOM 1306 CA ARG A 92 19.393 1.045 -2.309 1.00 0.00 C ATOM 1307 C ARG A 92 20.253 1.171 -3.563 1.00 0.00 C ATOM 1308 O ARG A 92 20.962 2.160 -3.744 1.00 0.00 O ATOM 1309 CB ARG A 92 20.080 0.128 -1.296 1.00 0.00 C ATOM 1310 CG ARG A 92 19.308 -0.031 0.004 1.00 0.00 C ATOM 1311 CD ARG A 92 19.865 -1.167 0.847 1.00 0.00 C ATOM 1312 NE ARG A 92 21.058 -0.765 1.587 1.00 0.00 N ATOM 1313 CZ ARG A 92 21.706 -1.564 2.428 1.00 0.00 C ATOM 1314 NH1 ARG A 92 21.277 -2.802 2.634 1.00 0.00 N ATOM 1315 NH2 ARG A 92 22.785 -1.126 3.064 1.00 0.00 N ATOM 0 H ARG A 92 17.814 -0.326 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 92 19.275 2.035 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.223 -0.854 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.071 0.524 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.352 0.899 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.258 -0.221 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.102 -1.507 1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.106 -2.012 0.202 1.00 0.00 H new ATOM 0 HE ARG A 92 21.413 0.181 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.448 -3.142 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 92 21.776 -3.414 3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.118 -0.175 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.281 -1.741 3.709 1.00 0.00 H new ATOM 1329 N ASN A 93 20.185 0.162 -4.425 1.00 0.00 N ATOM 1330 CA ASN A 93 20.959 0.159 -5.661 1.00 0.00 C ATOM 1331 C ASN A 93 20.596 1.357 -6.533 1.00 0.00 C ATOM 1332 O ASN A 93 21.465 1.984 -7.138 1.00 0.00 O ATOM 1333 CB ASN A 93 20.719 -1.139 -6.434 1.00 0.00 C ATOM 1334 CG ASN A 93 21.597 -2.275 -5.943 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.805 -2.287 -6.179 1.00 0.00 O ATOM 1336 ND2 ASN A 93 20.991 -3.236 -5.257 1.00 0.00 N ATOM 0 H ASN A 93 19.602 -0.664 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 93 22.015 0.229 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.672 -1.426 -6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 93 20.909 -0.968 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.529 -4.026 -4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 93 19.987 -3.184 -5.085 1.00 0.00 H new ATOM 1343 N ALA A 94 19.305 1.670 -6.591 1.00 0.00 N ATOM 1344 CA ALA A 94 18.827 2.795 -7.386 1.00 0.00 C ATOM 1345 C ALA A 94 19.670 4.041 -7.138 1.00 0.00 C ATOM 1346 O ALA A 94 20.236 4.214 -6.059 1.00 0.00 O ATOM 1347 CB ALA A 94 17.364 3.075 -7.076 1.00 0.00 C ATOM 0 H ALA A 94 18.572 1.161 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 94 18.920 2.530 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.020 3.917 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.767 2.194 -7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.256 3.315 -6.018 1.00 0.00 H new ATOM 1353 N GLY A 95 19.751 4.906 -8.144 1.00 0.00 N ATOM 1354 CA GLY A 95 20.528 6.124 -8.015 1.00 0.00 C ATOM 1355 C GLY A 95 19.658 7.363 -7.947 1.00 0.00 C ATOM 1356 O GLY A 95 18.505 7.296 -7.521 1.00 0.00 O ATOM 0 H GLY A 95 19.292 4.785 -9.047 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.142 6.066 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.209 6.208 -8.862 1.00 0.00 H new ATOM 1360 N GLN A 96 20.210 8.496 -8.367 1.00 0.00 N ATOM 1361 CA GLN A 96 19.476 9.756 -8.350 1.00 0.00 C ATOM 1362 C GLN A 96 18.128 9.610 -9.048 1.00 0.00 C ATOM 1363 O GLN A 96 17.076 9.801 -8.436 1.00 0.00 O ATOM 1364 CB GLN A 96 20.295 10.858 -9.023 1.00 0.00 C ATOM 1365 CG GLN A 96 19.916 12.260 -8.574 1.00 0.00 C ATOM 1366 CD GLN A 96 21.073 13.234 -8.661 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.839 13.222 -9.625 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.207 14.087 -7.652 1.00 0.00 N ATOM 0 H GLN A 96 21.163 8.568 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 96 19.299 10.029 -7.310 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.352 10.692 -8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.168 10.785 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.093 12.624 -9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.554 12.223 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.549 14.062 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.967 14.767 -7.656 1.00 0.00 H new ATOM 1377 N VAL A 97 18.166 9.271 -10.332 1.00 0.00 N ATOM 1378 CA VAL A 97 16.947 9.099 -11.114 1.00 0.00 C ATOM 1379 C VAL A 97 16.276 7.766 -10.800 1.00 0.00 C ATOM 1380 O VAL A 97 16.681 6.720 -11.307 1.00 0.00 O ATOM 1381 CB VAL A 97 17.234 9.172 -12.625 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.957 8.954 -13.423 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.873 10.506 -12.981 1.00 0.00 C ATOM 0 H VAL A 97 19.028 9.110 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 97 16.278 9.914 -10.839 1.00 0.00 H new ATOM 0 HB VAL A 97 17.935 8.378 -12.883 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.180 9.009 -14.489 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.545 7.973 -13.189 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.230 9.724 -13.164 1.00 0.00 H new ATOM 0 HG21 VAL A 97 18.069 10.541 -14.053 1.00 0.00 H new ATOM 0 HG22 VAL A 97 17.197 11.317 -12.709 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.811 10.617 -12.437 1.00 0.00 H new ATOM 1393 N VAL A 98 15.247 7.811 -9.960 1.00 0.00 N ATOM 1394 CA VAL A 98 14.518 6.607 -9.578 1.00 0.00 C ATOM 1395 C VAL A 98 13.087 6.642 -10.103 1.00 0.00 C ATOM 1396 O VAL A 98 12.251 7.398 -9.607 1.00 0.00 O ATOM 1397 CB VAL A 98 14.488 6.430 -8.049 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.666 5.208 -7.668 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.902 6.324 -7.498 1.00 0.00 C ATOM 0 H VAL A 98 14.899 8.668 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 98 15.045 5.763 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 98 14.015 7.308 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.657 5.100 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.645 5.329 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.107 4.318 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.862 6.199 -6.416 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.403 5.465 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.455 7.232 -7.739 1.00 0.00 H new ATOM 1409 N HIS A 99 12.811 5.818 -11.109 1.00 0.00 N ATOM 1410 CA HIS A 99 11.480 5.753 -11.701 1.00 0.00 C ATOM 1411 C HIS A 99 10.631 4.686 -11.015 1.00 0.00 C ATOM 1412 O HIS A 99 10.752 3.497 -11.312 1.00 0.00 O ATOM 1413 CB HIS A 99 11.578 5.459 -13.198 1.00 0.00 C ATOM 1414 CG HIS A 99 11.790 6.682 -14.036 1.00 0.00 C ATOM 1415 ND1 HIS A 99 12.891 6.858 -14.846 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.032 7.794 -14.188 1.00 0.00 C ATOM 1417 CE1 HIS A 99 12.803 8.025 -15.459 1.00 0.00 C ATOM 1418 NE2 HIS A 99 11.684 8.613 -15.077 1.00 0.00 N ATOM 0 H HIS A 99 13.492 5.186 -11.531 1.00 0.00 H new ATOM 0 HA HIS A 99 10.999 6.721 -11.559 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.400 4.764 -13.370 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.665 4.960 -13.522 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.090 7.999 -13.701 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.524 8.429 -16.154 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.357 9.527 -15.391 1.00 0.00 H new ATOM 1427 N LEU A 100 9.775 5.119 -10.096 1.00 0.00 N ATOM 1428 CA LEU A 100 8.907 4.200 -9.368 1.00 0.00 C ATOM 1429 C LEU A 100 7.692 3.817 -10.207 1.00 0.00 C ATOM 1430 O LEU A 100 7.001 4.681 -10.749 1.00 0.00 O ATOM 1431 CB LEU A 100 8.452 4.833 -8.051 1.00 0.00 C ATOM 1432 CG LEU A 100 8.350 3.889 -6.853 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.123 2.999 -6.978 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.611 3.048 -6.727 1.00 0.00 C ATOM 0 H LEU A 100 9.663 6.099 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 100 9.476 3.296 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.145 5.635 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.477 5.293 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 100 8.247 4.490 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.067 2.334 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.227 3.618 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.195 2.406 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.520 2.382 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.746 2.456 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.472 3.702 -6.589 1.00 0.00 H new ATOM 1446 N THR A 101 7.435 2.517 -10.309 1.00 0.00 N ATOM 1447 CA THR A 101 6.304 2.019 -11.081 1.00 0.00 C ATOM 1448 C THR A 101 5.181 1.543 -10.166 1.00 0.00 C ATOM 1449 O THR A 101 5.305 0.516 -9.498 1.00 0.00 O ATOM 1450 CB THR A 101 6.722 0.862 -12.008 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.923 1.205 -12.708 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.619 0.544 -13.007 1.00 0.00 C ATOM 0 H THR A 101 7.996 1.789 -9.866 1.00 0.00 H new ATOM 0 HA THR A 101 5.946 2.850 -11.689 1.00 0.00 H new ATOM 0 HB THR A 101 6.900 -0.021 -11.394 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.700 0.975 -12.157 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.937 -0.276 -13.651 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.715 0.255 -12.471 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.414 1.425 -13.616 1.00 0.00 H new ATOM 1460 N LEU A 102 4.086 2.294 -10.141 1.00 0.00 N ATOM 1461 CA LEU A 102 2.940 1.947 -9.308 1.00 0.00 C ATOM 1462 C LEU A 102 1.688 1.752 -10.158 1.00 0.00 C ATOM 1463 O LEU A 102 1.628 2.196 -11.305 1.00 0.00 O ATOM 1464 CB LEU A 102 2.695 3.037 -8.263 1.00 0.00 C ATOM 1465 CG LEU A 102 3.934 3.554 -7.531 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.706 4.527 -8.409 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.540 4.215 -6.218 1.00 0.00 C ATOM 0 H LEU A 102 3.967 3.147 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 102 3.163 1.009 -8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.209 3.880 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.994 2.652 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 102 4.581 2.706 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.584 4.884 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.020 4.022 -9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.067 5.373 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.434 4.577 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.872 5.053 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.031 3.489 -5.584 1.00 0.00 H new ATOM 1479 N VAL A 103 0.689 1.086 -9.587 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.563 0.834 -10.291 1.00 0.00 C ATOM 1481 C VAL A 103 -1.760 1.014 -9.364 1.00 0.00 C ATOM 1482 O VAL A 103 -1.996 0.198 -8.474 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.597 -0.586 -10.886 1.00 0.00 C ATOM 1484 CG1 VAL A 103 -0.088 -1.601 -9.875 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -2.004 -0.937 -11.344 1.00 0.00 C ATOM 0 H VAL A 103 0.722 0.711 -8.639 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.622 1.560 -11.102 1.00 0.00 H new ATOM 0 HB VAL A 103 0.061 -0.613 -11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.120 -2.598 -10.313 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.938 -1.358 -9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.717 -1.576 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.010 -1.944 -11.762 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.685 -0.893 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.327 -0.226 -12.105 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.512 2.088 -9.580 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.685 2.376 -8.763 1.00 0.00 C ATOM 1497 C ARG A 104 -4.969 2.146 -9.555 1.00 0.00 C ATOM 1498 O ARG A 104 -4.943 2.041 -10.782 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.638 3.818 -8.256 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.650 4.032 -7.121 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.523 5.505 -6.763 1.00 0.00 C ATOM 1502 NE ARG A 104 -3.746 6.029 -6.160 1.00 0.00 N ATOM 1503 CZ ARG A 104 -3.773 7.076 -5.343 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -2.649 7.708 -5.033 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -4.925 7.494 -4.835 1.00 0.00 N ATOM 0 H ARG A 104 -2.330 2.773 -10.314 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.678 1.698 -7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.376 4.477 -9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.633 4.109 -7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.973 3.470 -6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.674 3.641 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.691 5.640 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.287 6.077 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.628 5.565 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.761 7.390 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.672 8.512 -4.405 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.792 7.011 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.944 8.298 -4.208 1.00 0.00 H new ATOM 1519 N ARG A 105 -6.090 2.068 -8.846 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.383 1.848 -9.482 1.00 0.00 C ATOM 1521 C ARG A 105 -7.843 3.100 -10.225 1.00 0.00 C ATOM 1522 O ARG A 105 -7.808 4.205 -9.684 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.428 1.450 -8.438 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.580 0.638 -9.009 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.282 -0.169 -7.928 1.00 0.00 C ATOM 1526 NE ARG A 105 -11.687 -0.406 -8.247 1.00 0.00 N ATOM 1527 CZ ARG A 105 -12.560 -0.918 -7.387 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -12.174 -1.245 -6.161 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -13.822 -1.104 -7.752 1.00 0.00 N ATOM 0 H ARG A 105 -6.129 2.154 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.272 1.038 -10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.942 0.873 -7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.826 2.352 -7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.295 1.306 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -9.205 -0.034 -9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -9.773 -1.124 -7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.210 0.359 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.016 -0.165 -9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.205 -1.103 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.846 -1.638 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.123 -0.854 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.492 -1.497 -7.091 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.273 2.918 -11.469 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.740 4.030 -12.288 1.00 0.00 C ATOM 1545 C LYS A 106 -10.150 4.448 -11.884 1.00 0.00 C ATOM 1546 O LYS A 106 -10.803 3.777 -11.084 1.00 0.00 O ATOM 1547 CB LYS A 106 -8.715 3.647 -13.769 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.363 3.141 -14.243 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.511 2.096 -15.336 1.00 0.00 C ATOM 1550 CE LYS A 106 -7.469 2.726 -16.720 1.00 0.00 C ATOM 1551 NZ LYS A 106 -8.716 3.483 -17.021 1.00 0.00 N ATOM 0 H LYS A 106 -8.308 2.010 -11.932 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.069 4.874 -12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.465 2.877 -13.949 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.998 4.515 -14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.771 3.977 -14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.818 2.714 -13.401 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.713 1.359 -15.246 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.453 1.563 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.612 3.396 -16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.326 1.948 -17.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.773 3.665 -18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.541 2.926 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.705 4.388 -16.508 1.00 0.00 H new