USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 597 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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.005) USER MOD Single : A 20 ASN : amide:sc= -3.89! C(o=-3.9!,f=-3.9!) USER MOD Single : A 21 SER OG : rot -146:sc= -1.29 USER MOD Single : A 25 SER OG : rot 174:sc= -1.52 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= -1.64! (180deg=-1.85!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-6.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.42 X(o=-1.4,f=-0.95!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.606 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.86 F(o=-5!,f=-1.9) USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= -0.386 (180deg=-1.26!) USER MOD Single : A 82 GLN :FLIP amide:sc= -4.19! C(o=-6.7!,f=-4.2!) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 95 HIS : no HD1:sc= -10.6! C(o=-11!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.486 1.003 -3.289 1.00 0.00 N ATOM 97 CA GLY A 8 6.938 2.371 -3.108 1.00 0.00 C ATOM 98 C GLY A 8 6.588 3.210 -4.315 1.00 0.00 C ATOM 99 O GLY A 8 7.283 4.170 -4.650 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.478 2.797 -2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.016 2.386 -2.948 1.00 0.00 H new ATOM 103 N ASP A 9 5.515 2.808 -4.983 1.00 0.00 N ATOM 104 CA ASP A 9 5.036 3.453 -6.180 1.00 0.00 C ATOM 105 C ASP A 9 3.847 2.663 -6.662 1.00 0.00 C ATOM 106 O ASP A 9 3.027 2.216 -5.859 1.00 0.00 O ATOM 107 CB ASP A 9 6.147 3.498 -7.219 1.00 0.00 C ATOM 108 CG ASP A 9 6.433 4.906 -7.704 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.533 5.519 -8.314 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.559 5.396 -7.472 1.00 0.00 O ATOM 0 H ASP A 9 4.949 2.009 -4.696 1.00 0.00 H new ATOM 0 HA ASP A 9 4.737 4.484 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.056 3.073 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.871 2.874 -8.069 1.00 0.00 H new ATOM 115 N ILE A 10 3.748 2.482 -7.943 1.00 0.00 N ATOM 116 CA ILE A 10 2.649 1.734 -8.482 1.00 0.00 C ATOM 117 C ILE A 10 2.917 0.231 -8.324 1.00 0.00 C ATOM 118 O ILE A 10 3.653 -0.387 -9.092 1.00 0.00 O ATOM 119 CB ILE A 10 2.468 2.124 -9.964 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.998 2.023 -10.369 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.347 1.291 -10.889 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.385 0.668 -10.082 1.00 0.00 C ATOM 0 H ILE A 10 4.409 2.839 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 10 1.729 1.963 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 10 2.789 3.160 -10.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.430 2.789 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.907 2.236 -11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.185 1.601 -11.921 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.394 1.438 -10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.091 0.237 -10.783 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.659 0.668 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.928 -0.101 -10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.444 0.461 -9.013 1.00 0.00 H new ATOM 134 N PHE A 11 2.293 -0.338 -7.298 1.00 0.00 N ATOM 135 CA PHE A 11 2.416 -1.758 -6.988 1.00 0.00 C ATOM 136 C PHE A 11 1.051 -2.439 -7.062 1.00 0.00 C ATOM 137 O PHE A 11 0.067 -1.879 -6.600 1.00 0.00 O ATOM 138 CB PHE A 11 3.051 -1.941 -5.604 1.00 0.00 C ATOM 139 CG PHE A 11 2.904 -3.318 -5.050 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.269 -4.420 -5.799 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.391 -3.507 -3.781 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.126 -5.689 -5.289 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.242 -4.772 -3.269 1.00 0.00 C ATOM 144 CZ PHE A 11 2.611 -5.863 -4.023 1.00 0.00 C ATOM 0 H PHE A 11 1.687 0.173 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 11 3.065 -2.228 -7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.111 -1.696 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.600 -1.231 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.670 -4.284 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.105 -2.652 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.416 -6.546 -5.879 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.837 -4.911 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.496 -6.859 -3.621 1.00 0.00 H new ATOM 154 N GLU A 12 0.987 -3.653 -7.596 1.00 0.00 N ATOM 155 CA GLU A 12 -0.267 -4.371 -7.668 1.00 0.00 C ATOM 156 C GLU A 12 -0.200 -5.623 -6.796 1.00 0.00 C ATOM 157 O GLU A 12 0.890 -6.159 -6.601 1.00 0.00 O ATOM 158 CB GLU A 12 -0.628 -4.694 -9.124 1.00 0.00 C ATOM 159 CG GLU A 12 -0.239 -6.095 -9.577 1.00 0.00 C ATOM 160 CD GLU A 12 1.257 -6.250 -9.768 1.00 0.00 C ATOM 161 OE1 GLU A 12 1.808 -5.603 -10.683 1.00 0.00 O ATOM 162 OE2 GLU A 12 1.877 -7.019 -9.004 1.00 0.00 O ATOM 0 H GLU A 12 1.788 -4.154 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.066 -3.739 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.703 -4.569 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.142 -3.968 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.585 -6.820 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.747 -6.325 -10.514 1.00 0.00 H new ATOM 169 N VAL A 13 -1.331 -6.107 -6.245 1.00 0.00 N ATOM 170 CA VAL A 13 -1.255 -7.273 -5.405 1.00 0.00 C ATOM 171 C VAL A 13 -2.176 -8.351 -5.921 1.00 0.00 C ATOM 172 O VAL A 13 -3.401 -8.225 -5.875 1.00 0.00 O ATOM 173 CB VAL A 13 -1.609 -6.907 -3.946 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.134 -5.497 -3.610 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.101 -7.036 -3.680 1.00 0.00 C ATOM 0 H VAL A 13 -2.263 -5.713 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.234 -7.654 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.091 -7.616 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.394 -5.262 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.053 -5.438 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.615 -4.782 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.310 -6.770 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.648 -6.367 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.415 -8.064 -3.862 1.00 0.00 H new ATOM 185 N GLU A 14 -1.585 -9.405 -6.439 1.00 0.00 N ATOM 186 CA GLU A 14 -2.354 -10.480 -6.980 1.00 0.00 C ATOM 187 C GLU A 14 -2.169 -11.807 -6.234 1.00 0.00 C ATOM 188 O GLU A 14 -1.053 -12.299 -6.089 1.00 0.00 O ATOM 189 CB GLU A 14 -1.986 -10.693 -8.419 1.00 0.00 C ATOM 190 CG GLU A 14 -0.605 -11.287 -8.643 1.00 0.00 C ATOM 191 CD GLU A 14 0.510 -10.279 -8.449 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.818 -9.951 -7.283 1.00 0.00 O ATOM 193 OE2 GLU A 14 1.077 -9.817 -9.462 1.00 0.00 O ATOM 0 H GLU A 14 -0.574 -9.531 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.398 -10.186 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.727 -11.350 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.044 -9.737 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.458 -12.120 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.549 -11.693 -9.653 1.00 0.00 H new ATOM 200 N LEU A 15 -3.279 -12.399 -5.862 1.00 0.00 N ATOM 201 CA LEU A 15 -3.334 -13.715 -5.222 1.00 0.00 C ATOM 202 C LEU A 15 -4.575 -14.453 -5.689 1.00 0.00 C ATOM 203 O LEU A 15 -5.592 -13.834 -5.995 1.00 0.00 O ATOM 204 CB LEU A 15 -3.327 -13.636 -3.690 1.00 0.00 C ATOM 205 CG LEU A 15 -2.044 -14.171 -3.064 1.00 0.00 C ATOM 206 CD1 LEU A 15 -1.989 -15.688 -3.164 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.863 -13.536 -3.766 1.00 0.00 C ATOM 0 H LEU A 15 -4.198 -11.978 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.433 -14.254 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.466 -12.599 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.175 -14.199 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.016 -13.916 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.066 -16.049 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.842 -16.118 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.020 -15.985 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.063 -13.909 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.891 -13.788 -4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.909 -12.453 -3.649 1.00 0.00 H new ATOM 219 N ALA A 16 -4.497 -15.771 -5.726 1.00 0.00 N ATOM 220 CA ALA A 16 -5.618 -16.582 -6.135 1.00 0.00 C ATOM 221 C ALA A 16 -6.142 -17.309 -4.923 1.00 0.00 C ATOM 222 O ALA A 16 -5.390 -18.041 -4.285 1.00 0.00 O ATOM 223 CB ALA A 16 -5.174 -17.560 -7.203 1.00 0.00 C ATOM 0 H ALA A 16 -3.662 -16.300 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.410 -15.962 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.022 -18.172 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.792 -17.011 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.389 -18.202 -6.804 1.00 0.00 H new ATOM 229 N LYS A 17 -7.410 -17.091 -4.578 1.00 0.00 N ATOM 230 CA LYS A 17 -7.966 -17.744 -3.392 1.00 0.00 C ATOM 231 C LYS A 17 -7.476 -19.178 -3.297 1.00 0.00 C ATOM 232 O LYS A 17 -8.065 -20.094 -3.870 1.00 0.00 O ATOM 233 CB LYS A 17 -9.489 -17.725 -3.368 1.00 0.00 C ATOM 234 CG LYS A 17 -10.051 -18.501 -2.191 1.00 0.00 C ATOM 235 CD LYS A 17 -10.875 -19.696 -2.646 1.00 0.00 C ATOM 236 CE LYS A 17 -10.878 -20.800 -1.601 1.00 0.00 C ATOM 237 NZ LYS A 17 -11.675 -20.427 -0.400 1.00 0.00 N ATOM 0 H LYS A 17 -8.056 -16.486 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.617 -17.173 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.838 -16.693 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.871 -18.149 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.233 -18.843 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.671 -17.842 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.899 -19.379 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.473 -20.081 -3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.285 -21.712 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.853 -21.020 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.652 -21.207 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.272 -19.571 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.659 -20.242 -0.680 1.00 0.00 H new ATOM 251 N ASN A 18 -6.378 -19.350 -2.586 1.00 0.00 N ATOM 252 CA ASN A 18 -5.778 -20.677 -2.432 1.00 0.00 C ATOM 253 C ASN A 18 -5.316 -20.934 -1.003 1.00 0.00 C ATOM 254 O ASN A 18 -5.741 -21.898 -0.366 1.00 0.00 O ATOM 255 CB ASN A 18 -4.597 -20.834 -3.392 1.00 0.00 C ATOM 256 CG ASN A 18 -4.408 -22.267 -3.847 1.00 0.00 C ATOM 257 OD1 ASN A 18 -3.339 -22.851 -3.671 1.00 0.00 O ATOM 258 ND2 ASN A 18 -5.449 -22.844 -4.436 1.00 0.00 N ATOM 0 H ASN A 18 -5.881 -18.599 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.548 -21.411 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.753 -20.197 -4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.686 -20.488 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.381 -23.808 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.317 -22.323 -4.562 1.00 0.00 H new ATOM 265 N ASP A 19 -4.457 -20.061 -0.503 1.00 0.00 N ATOM 266 CA ASP A 19 -3.945 -20.180 0.855 1.00 0.00 C ATOM 267 C ASP A 19 -4.239 -18.902 1.593 1.00 0.00 C ATOM 268 O ASP A 19 -4.581 -18.893 2.774 1.00 0.00 O ATOM 269 CB ASP A 19 -2.442 -20.465 0.851 1.00 0.00 C ATOM 270 CG ASP A 19 -1.920 -20.834 2.226 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.736 -21.241 3.081 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.697 -20.717 2.449 1.00 0.00 O ATOM 0 H ASP A 19 -4.097 -19.258 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.434 -21.016 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.231 -21.277 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.909 -19.587 0.487 1.00 0.00 H new ATOM 277 N ASN A 20 -4.146 -17.833 0.839 1.00 0.00 N ATOM 278 CA ASN A 20 -4.431 -16.510 1.312 1.00 0.00 C ATOM 279 C ASN A 20 -4.568 -15.607 0.115 1.00 0.00 C ATOM 280 O ASN A 20 -4.016 -15.890 -0.948 1.00 0.00 O ATOM 281 CB ASN A 20 -3.345 -15.983 2.246 1.00 0.00 C ATOM 282 CG ASN A 20 -3.342 -16.683 3.591 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.521 -17.565 3.844 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.262 -16.290 4.464 1.00 0.00 N ATOM 0 H ASN A 20 -3.864 -17.865 -0.141 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.355 -16.535 1.890 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.371 -16.109 1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.489 -14.913 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.308 -16.723 5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.923 -15.555 4.212 1.00 0.00 H new ATOM 291 N SER A 21 -5.302 -14.533 0.269 1.00 0.00 N ATOM 292 CA SER A 21 -5.495 -13.621 -0.832 1.00 0.00 C ATOM 293 C SER A 21 -6.119 -12.351 -0.291 1.00 0.00 C ATOM 294 O SER A 21 -6.978 -11.726 -0.911 1.00 0.00 O ATOM 295 CB SER A 21 -6.373 -14.293 -1.899 1.00 0.00 C ATOM 296 OG SER A 21 -6.255 -13.636 -3.149 1.00 0.00 O ATOM 0 H SER A 21 -5.771 -14.270 1.136 1.00 0.00 H new ATOM 0 HA SER A 21 -4.548 -13.363 -1.307 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.083 -15.338 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.414 -14.282 -1.576 1.00 0.00 H new ATOM 0 HG SER A 21 -7.115 -13.669 -3.618 1.00 0.00 H new ATOM 302 N LEU A 22 -5.675 -12.020 0.914 1.00 0.00 N ATOM 303 CA LEU A 22 -6.151 -10.876 1.663 1.00 0.00 C ATOM 304 C LEU A 22 -5.672 -11.015 3.095 1.00 0.00 C ATOM 305 O LEU A 22 -5.079 -12.024 3.450 1.00 0.00 O ATOM 306 CB LEU A 22 -7.658 -10.902 1.765 1.00 0.00 C ATOM 307 CG LEU A 22 -8.075 -11.547 3.084 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.979 -10.618 3.882 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.741 -12.894 2.851 1.00 0.00 C ATOM 0 H LEU A 22 -4.958 -12.554 1.405 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.796 -9.973 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.053 -9.888 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.079 -11.459 0.928 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.173 -11.722 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.262 -11.101 4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.448 -9.691 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.875 -10.396 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.027 -13.329 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.629 -12.759 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.045 -13.561 2.343 1.00 0.00 H new ATOM 321 N GLY A 23 -6.014 -10.045 3.929 1.00 0.00 N ATOM 322 CA GLY A 23 -5.670 -10.119 5.334 1.00 0.00 C ATOM 323 C GLY A 23 -5.387 -8.761 5.888 1.00 0.00 C ATOM 324 O GLY A 23 -4.498 -8.580 6.705 1.00 0.00 O ATOM 0 H GLY A 23 -6.525 -9.205 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.488 -10.579 5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.797 -10.758 5.465 1.00 0.00 H new ATOM 328 N ILE A 24 -6.136 -7.792 5.423 1.00 0.00 N ATOM 329 CA ILE A 24 -5.930 -6.430 5.861 1.00 0.00 C ATOM 330 C ILE A 24 -7.139 -5.855 6.563 1.00 0.00 C ATOM 331 O ILE A 24 -8.281 -6.196 6.252 1.00 0.00 O ATOM 332 CB ILE A 24 -5.549 -5.533 4.673 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.732 -5.383 3.713 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.341 -6.132 3.942 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.584 -4.164 3.988 1.00 0.00 C ATOM 0 H ILE A 24 -6.889 -7.917 4.746 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.112 -6.456 6.581 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.286 -4.543 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.356 -5.330 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.356 -6.274 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.072 -5.494 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.497 -6.200 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.593 -7.128 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.403 -4.123 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.990 -4.224 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.974 -3.265 3.895 1.00 0.00 H new ATOM 347 N SER A 25 -6.875 -4.952 7.496 1.00 0.00 N ATOM 348 CA SER A 25 -7.919 -4.297 8.221 1.00 0.00 C ATOM 349 C SER A 25 -8.111 -2.915 7.638 1.00 0.00 C ATOM 350 O SER A 25 -7.207 -2.082 7.677 1.00 0.00 O ATOM 351 CB SER A 25 -7.605 -4.227 9.719 1.00 0.00 C ATOM 352 OG SER A 25 -7.080 -5.456 10.188 1.00 0.00 O ATOM 0 H SER A 25 -5.933 -4.664 7.760 1.00 0.00 H new ATOM 0 HA SER A 25 -8.841 -4.869 8.124 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.889 -3.427 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.511 -3.980 10.272 1.00 0.00 H new ATOM 0 HG SER A 25 -6.797 -5.356 11.121 1.00 0.00 H new ATOM 358 N VAL A 26 -9.276 -2.688 7.060 1.00 0.00 N ATOM 359 CA VAL A 26 -9.559 -1.418 6.428 1.00 0.00 C ATOM 360 C VAL A 26 -10.392 -0.527 7.339 1.00 0.00 C ATOM 361 O VAL A 26 -11.041 -1.008 8.268 1.00 0.00 O ATOM 362 CB VAL A 26 -10.293 -1.618 5.089 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.608 -2.357 5.301 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.527 -0.287 4.400 1.00 0.00 C ATOM 0 H VAL A 26 -10.037 -3.365 7.016 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.603 -0.930 6.237 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.662 -2.227 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.110 -2.488 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.409 -3.333 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.246 -1.779 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.047 -0.452 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.133 0.353 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.569 0.196 4.207 1.00 0.00 H new ATOM 374 N THR A 27 -10.328 0.780 7.089 1.00 0.00 N ATOM 375 CA THR A 27 -11.036 1.765 7.905 1.00 0.00 C ATOM 376 C THR A 27 -10.232 2.053 9.171 1.00 0.00 C ATOM 377 O THR A 27 -10.615 2.884 9.993 1.00 0.00 O ATOM 378 CB THR A 27 -12.443 1.281 8.272 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.089 0.714 7.147 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.333 2.384 8.806 1.00 0.00 C ATOM 0 H THR A 27 -9.789 1.183 6.322 1.00 0.00 H new ATOM 0 HA THR A 27 -11.142 2.680 7.322 1.00 0.00 H new ATOM 0 HB THR A 27 -12.298 0.539 9.057 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.985 0.410 7.403 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.314 1.975 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.886 2.809 9.705 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.440 3.163 8.051 1.00 0.00 H new ATOM 388 N VAL A 28 -9.109 1.351 9.309 1.00 0.00 N ATOM 389 CA VAL A 28 -8.227 1.500 10.448 1.00 0.00 C ATOM 390 C VAL A 28 -7.471 2.821 10.389 1.00 0.00 C ATOM 391 O VAL A 28 -7.361 3.523 11.394 1.00 0.00 O ATOM 392 CB VAL A 28 -7.223 0.342 10.489 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.958 -0.986 10.563 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.334 0.376 9.261 1.00 0.00 C ATOM 0 H VAL A 28 -8.791 0.662 8.627 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.839 1.490 11.350 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.600 0.450 11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.235 -1.801 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.571 -1.013 11.464 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.596 -1.098 9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.625 -0.451 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.948 0.284 8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.789 1.320 9.232 1.00 0.00 H new ATOM 404 N LEU A 29 -6.975 3.178 9.203 1.00 0.00 N ATOM 405 CA LEU A 29 -6.273 4.425 9.033 1.00 0.00 C ATOM 406 C LEU A 29 -7.104 5.334 8.172 1.00 0.00 C ATOM 407 O LEU A 29 -6.866 6.538 8.076 1.00 0.00 O ATOM 408 CB LEU A 29 -4.896 4.212 8.404 1.00 0.00 C ATOM 409 CG LEU A 29 -4.068 3.069 8.994 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.593 3.270 8.682 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.278 2.964 10.499 1.00 0.00 C ATOM 0 H LEU A 29 -7.052 2.615 8.356 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.115 4.877 10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.028 4.028 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.326 5.136 8.500 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.402 2.137 8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.016 2.449 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.449 3.292 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.255 4.213 9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.678 2.144 10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.975 3.897 10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.331 2.776 10.707 1.00 0.00 H new ATOM 423 N PHE A 30 -8.085 4.724 7.547 1.00 0.00 N ATOM 424 CA PHE A 30 -8.988 5.416 6.680 1.00 0.00 C ATOM 425 C PHE A 30 -10.431 5.203 7.132 1.00 0.00 C ATOM 426 O PHE A 30 -10.679 4.682 8.219 1.00 0.00 O ATOM 427 CB PHE A 30 -8.800 4.897 5.264 1.00 0.00 C ATOM 428 CG PHE A 30 -8.920 5.852 4.251 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.318 7.148 4.418 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.542 5.398 3.087 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.314 7.970 3.338 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.531 6.146 2.044 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.912 7.460 2.122 1.00 0.00 C ATOM 0 H PHE A 30 -8.273 3.725 7.632 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.778 6.485 6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.814 4.439 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.531 4.109 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.629 7.510 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.231 4.368 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.619 9.002 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.218 5.736 1.095 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.898 8.087 1.243 1.00 0.00 H new ATOM 443 N ASP A 31 -11.378 5.594 6.287 1.00 0.00 N ATOM 444 CA ASP A 31 -12.795 5.430 6.596 1.00 0.00 C ATOM 445 C ASP A 31 -13.371 4.225 5.851 1.00 0.00 C ATOM 446 O ASP A 31 -14.490 3.794 6.122 1.00 0.00 O ATOM 447 CB ASP A 31 -13.575 6.695 6.231 1.00 0.00 C ATOM 448 CG ASP A 31 -12.878 7.960 6.694 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.891 8.232 7.913 1.00 0.00 O ATOM 450 OD2 ASP A 31 -12.320 8.678 5.838 1.00 0.00 O ATOM 0 H ASP A 31 -11.191 6.027 5.383 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.892 5.257 7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.712 6.734 5.150 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.568 6.647 6.677 1.00 0.00 H new ATOM 455 N LYS A 32 -12.591 3.687 4.914 1.00 0.00 N ATOM 456 CA LYS A 32 -13.006 2.532 4.129 1.00 0.00 C ATOM 457 C LYS A 32 -11.927 2.149 3.122 1.00 0.00 C ATOM 458 O LYS A 32 -12.233 1.742 2.001 1.00 0.00 O ATOM 459 CB LYS A 32 -14.324 2.816 3.395 1.00 0.00 C ATOM 460 CG LYS A 32 -14.205 3.865 2.301 1.00 0.00 C ATOM 461 CD LYS A 32 -14.178 5.271 2.877 1.00 0.00 C ATOM 462 CE LYS A 32 -12.756 5.792 3.003 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.632 7.198 2.528 1.00 0.00 N ATOM 0 H LYS A 32 -11.662 4.038 4.681 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.159 1.700 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.692 1.888 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.069 3.144 4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.297 3.689 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.044 3.769 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.756 5.939 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.656 5.274 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.439 5.732 4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.084 5.155 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.626 7.452 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.081 7.290 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.102 7.835 3.202 1.00 0.00 H new ATOM 477 N GLY A 33 -10.661 2.284 3.519 1.00 0.00 N ATOM 478 CA GLY A 33 -9.573 1.948 2.617 1.00 0.00 C ATOM 479 C GLY A 33 -9.733 2.658 1.275 1.00 0.00 C ATOM 480 O GLY A 33 -9.380 3.823 1.138 1.00 0.00 O ATOM 0 H GLY A 33 -10.373 2.617 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.622 2.228 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.546 0.870 2.461 1.00 0.00 H new ATOM 484 N GLY A 34 -10.283 1.952 0.284 1.00 0.00 N ATOM 485 CA GLY A 34 -10.488 2.540 -1.034 1.00 0.00 C ATOM 486 C GLY A 34 -11.327 3.806 -0.988 1.00 0.00 C ATOM 487 O GLY A 34 -12.005 4.055 0.005 1.00 0.00 O ATOM 0 H GLY A 34 -10.590 0.983 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.520 2.767 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.974 1.810 -1.681 1.00 0.00 H new ATOM 491 N VAL A 35 -11.257 4.616 -2.057 1.00 0.00 N ATOM 492 CA VAL A 35 -11.979 5.875 -2.151 1.00 0.00 C ATOM 493 C VAL A 35 -11.232 6.726 -3.151 1.00 0.00 C ATOM 494 O VAL A 35 -10.386 6.212 -3.876 1.00 0.00 O ATOM 495 CB VAL A 35 -12.023 6.583 -0.778 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.611 6.819 -0.251 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.869 7.855 -0.783 1.00 0.00 C ATOM 0 H VAL A 35 -10.692 4.406 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.010 5.708 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.531 5.912 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.662 7.318 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.100 5.863 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.060 7.445 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.858 8.303 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.459 8.562 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.894 7.609 -1.059 1.00 0.00 H new ATOM 604 N GLY A 42 -7.944 7.501 -6.783 1.00 0.00 N ATOM 605 CA GLY A 42 -8.563 6.825 -5.675 1.00 0.00 C ATOM 606 C GLY A 42 -7.795 7.092 -4.408 1.00 0.00 C ATOM 607 O GLY A 42 -7.776 8.217 -3.910 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.593 7.163 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.599 5.753 -5.868 1.00 0.00 H new ATOM 611 N GLY A 43 -7.098 6.081 -3.919 1.00 0.00 N ATOM 612 CA GLY A 43 -6.271 6.290 -2.742 1.00 0.00 C ATOM 613 C GLY A 43 -6.646 5.507 -1.490 1.00 0.00 C ATOM 614 O GLY A 43 -7.065 6.098 -0.497 1.00 0.00 O ATOM 0 H GLY A 43 -7.085 5.136 -4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.242 6.042 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.291 7.352 -2.497 1.00 0.00 H new ATOM 618 N ILE A 44 -6.464 4.190 -1.516 1.00 0.00 N ATOM 619 CA ILE A 44 -6.760 3.354 -0.341 1.00 0.00 C ATOM 620 C ILE A 44 -5.782 3.589 0.800 1.00 0.00 C ATOM 621 O ILE A 44 -4.567 3.535 0.625 1.00 0.00 O ATOM 622 CB ILE A 44 -6.720 1.835 -0.637 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.261 1.035 0.549 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.297 1.367 -0.940 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.297 0.003 0.160 1.00 0.00 C ATOM 0 H ILE A 44 -6.117 3.676 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.770 3.655 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.348 1.662 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.431 0.535 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.699 1.723 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.302 0.296 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.916 1.900 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.657 1.570 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.636 -0.526 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.145 0.499 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.857 -0.708 -0.539 1.00 0.00 H new ATOM 637 N TYR A 45 -6.340 3.748 1.981 1.00 0.00 N ATOM 638 CA TYR A 45 -5.549 3.890 3.201 1.00 0.00 C ATOM 639 C TYR A 45 -5.951 2.785 4.152 1.00 0.00 C ATOM 640 O TYR A 45 -7.091 2.330 4.118 1.00 0.00 O ATOM 641 CB TYR A 45 -5.667 5.252 3.876 1.00 0.00 C ATOM 642 CG TYR A 45 -5.643 6.444 2.981 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.989 6.426 1.773 1.00 0.00 C ATOM 644 CD2 TYR A 45 -6.270 7.605 3.376 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.961 7.540 0.967 1.00 0.00 C ATOM 646 CE2 TYR A 45 -6.250 8.722 2.589 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.595 8.692 1.378 1.00 0.00 C ATOM 648 OH TYR A 45 -5.570 9.813 0.581 1.00 0.00 O ATOM 0 H TYR A 45 -7.348 3.783 2.130 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.499 3.812 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.597 5.271 4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.852 5.348 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.490 5.524 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.786 7.633 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.446 7.512 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.746 9.624 2.915 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.066 10.536 1.018 1.00 0.00 H new ATOM 658 N VAL A 46 -5.009 2.258 4.926 1.00 0.00 N ATOM 659 CA VAL A 46 -5.333 1.116 5.745 1.00 0.00 C ATOM 660 C VAL A 46 -4.251 0.732 6.758 1.00 0.00 C ATOM 661 O VAL A 46 -3.218 1.388 6.849 1.00 0.00 O ATOM 662 CB VAL A 46 -5.469 -0.024 4.751 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.108 -0.562 4.405 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.441 -1.063 5.261 1.00 0.00 C ATOM 0 H VAL A 46 -4.049 2.595 4.998 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.221 1.337 6.337 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.900 0.337 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.211 -1.380 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.505 0.231 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.621 -0.928 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.524 -1.871 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.082 -1.463 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.419 -0.605 5.408 1.00 0.00 H new ATOM 674 N LYS A 47 -4.462 -0.406 7.450 1.00 0.00 N ATOM 675 CA LYS A 47 -3.446 -0.935 8.372 1.00 0.00 C ATOM 676 C LYS A 47 -2.580 -1.852 7.536 1.00 0.00 C ATOM 677 O LYS A 47 -1.431 -2.157 7.852 1.00 0.00 O ATOM 678 CB LYS A 47 -4.045 -1.713 9.556 1.00 0.00 C ATOM 679 CG LYS A 47 -4.520 -3.119 9.206 1.00 0.00 C ATOM 680 CD LYS A 47 -4.605 -4.002 10.442 1.00 0.00 C ATOM 681 CE LYS A 47 -3.257 -4.128 11.135 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.045 -5.491 11.695 1.00 0.00 N ATOM 0 H LYS A 47 -5.313 -0.966 7.388 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.890 -0.112 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.298 -1.781 10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.885 -1.148 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.498 -3.065 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.836 -3.566 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.334 -3.586 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.963 -4.992 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.462 -3.899 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.191 -3.392 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.115 -5.535 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.789 -5.700 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.082 -6.191 10.927 1.00 0.00 H new ATOM 696 N ALA A 48 -3.186 -2.222 6.416 1.00 0.00 N ATOM 697 CA ALA A 48 -2.626 -3.017 5.405 1.00 0.00 C ATOM 698 C ALA A 48 -2.685 -4.497 5.741 1.00 0.00 C ATOM 699 O ALA A 48 -3.693 -4.968 6.249 1.00 0.00 O ATOM 700 CB ALA A 48 -1.270 -2.485 5.141 1.00 0.00 C ATOM 0 H ALA A 48 -4.143 -1.941 6.205 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.203 -2.959 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.794 -3.075 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.343 -1.446 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.673 -2.542 6.051 1.00 0.00 H new ATOM 706 N VAL A 49 -1.655 -5.244 5.400 1.00 0.00 N ATOM 707 CA VAL A 49 -1.680 -6.667 5.582 1.00 0.00 C ATOM 708 C VAL A 49 -1.454 -7.201 6.972 1.00 0.00 C ATOM 709 O VAL A 49 -0.576 -6.779 7.724 1.00 0.00 O ATOM 710 CB VAL A 49 -0.666 -7.298 4.674 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.183 -7.263 3.265 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.671 -6.612 4.808 1.00 0.00 C ATOM 0 H VAL A 49 -0.792 -4.881 4.995 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.711 -6.932 5.349 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.511 -8.339 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.452 -7.720 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.121 -7.815 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.352 -6.229 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.391 -7.085 4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.568 -5.560 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.021 -6.695 5.837 1.00 0.00 H new ATOM 722 N ILE A 50 -2.286 -8.197 7.241 1.00 0.00 N ATOM 723 CA ILE A 50 -2.293 -8.953 8.478 1.00 0.00 C ATOM 724 C ILE A 50 -0.872 -9.262 8.937 1.00 0.00 C ATOM 725 O ILE A 50 0.067 -9.206 8.145 1.00 0.00 O ATOM 726 CB ILE A 50 -3.069 -10.284 8.256 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.936 -10.620 9.471 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.132 -11.433 7.921 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.324 -11.100 9.109 1.00 0.00 C ATOM 0 H ILE A 50 -2.997 -8.509 6.580 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.780 -8.357 9.250 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.726 -10.140 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.437 -11.388 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.019 -9.736 10.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.712 -12.344 7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.583 -11.201 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.428 -11.579 8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.882 -11.319 10.019 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.841 -10.324 8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.250 -12.002 8.502 1.00 0.00 H new ATOM 741 N PRO A 51 -0.692 -9.609 10.217 1.00 0.00 N ATOM 742 CA PRO A 51 0.617 -9.940 10.756 1.00 0.00 C ATOM 743 C PRO A 51 1.049 -11.347 10.408 1.00 0.00 C ATOM 744 O PRO A 51 2.236 -11.670 10.362 1.00 0.00 O ATOM 745 CB PRO A 51 0.439 -9.803 12.274 1.00 0.00 C ATOM 746 CG PRO A 51 -0.977 -9.361 12.490 1.00 0.00 C ATOM 747 CD PRO A 51 -1.730 -9.711 11.241 1.00 0.00 C ATOM 0 HA PRO A 51 1.390 -9.291 10.345 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.632 -10.751 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.141 -9.077 12.684 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.411 -9.860 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.023 -8.289 12.683 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.157 -10.713 11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.554 -9.022 11.056 1.00 0.00 H new ATOM 755 N GLN A 52 0.063 -12.168 10.189 1.00 0.00 N ATOM 756 CA GLN A 52 0.276 -13.573 9.860 1.00 0.00 C ATOM 757 C GLN A 52 0.352 -13.822 8.357 1.00 0.00 C ATOM 758 O GLN A 52 0.229 -14.961 7.906 1.00 0.00 O ATOM 759 CB GLN A 52 -0.824 -14.437 10.478 1.00 0.00 C ATOM 760 CG GLN A 52 -2.206 -14.166 9.907 1.00 0.00 C ATOM 761 CD GLN A 52 -3.281 -15.017 10.553 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.848 -15.908 9.920 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.568 -14.747 11.821 1.00 0.00 N ATOM 0 H GLN A 52 -0.919 -11.895 10.230 1.00 0.00 H new ATOM 0 HA GLN A 52 1.242 -13.851 10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.577 -15.488 10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.846 -14.267 11.554 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.451 -13.113 10.043 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.195 -14.355 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.073 -13.999 12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.283 -15.287 12.308 1.00 0.00 H new ATOM 772 N GLY A 53 0.580 -12.769 7.586 1.00 0.00 N ATOM 773 CA GLY A 53 0.696 -12.926 6.148 1.00 0.00 C ATOM 774 C GLY A 53 -0.573 -12.568 5.398 1.00 0.00 C ATOM 775 O GLY A 53 -0.821 -11.402 5.105 1.00 0.00 O ATOM 0 H GLY A 53 0.686 -11.813 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.512 -12.300 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.963 -13.959 5.923 1.00 0.00 H new ATOM 779 N ALA A 54 -1.386 -13.576 5.102 1.00 0.00 N ATOM 780 CA ALA A 54 -2.641 -13.386 4.397 1.00 0.00 C ATOM 781 C ALA A 54 -2.526 -12.354 3.256 1.00 0.00 C ATOM 782 O ALA A 54 -1.870 -12.635 2.253 1.00 0.00 O ATOM 783 CB ALA A 54 -3.710 -13.049 5.404 1.00 0.00 C ATOM 0 H ALA A 54 -1.190 -14.547 5.346 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.920 -14.312 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.660 -12.903 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.806 -13.865 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.438 -12.135 5.931 1.00 0.00 H new ATOM 789 N ALA A 55 -3.140 -11.162 3.385 1.00 0.00 N ATOM 790 CA ALA A 55 -3.041 -10.154 2.330 1.00 0.00 C ATOM 791 C ALA A 55 -1.583 -9.915 2.029 1.00 0.00 C ATOM 792 O ALA A 55 -1.176 -9.694 0.895 1.00 0.00 O ATOM 793 CB ALA A 55 -3.725 -8.862 2.730 1.00 0.00 C ATOM 0 H ALA A 55 -3.697 -10.884 4.193 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.550 -10.519 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.632 -8.136 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.780 -9.054 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.256 -8.466 3.630 1.00 0.00 H new ATOM 799 N GLU A 56 -0.814 -9.982 3.092 1.00 0.00 N ATOM 800 CA GLU A 56 0.629 -9.802 3.034 1.00 0.00 C ATOM 801 C GLU A 56 1.218 -10.811 2.049 1.00 0.00 C ATOM 802 O GLU A 56 2.188 -10.531 1.344 1.00 0.00 O ATOM 803 CB GLU A 56 1.220 -9.971 4.429 1.00 0.00 C ATOM 804 CG GLU A 56 2.597 -9.345 4.594 1.00 0.00 C ATOM 805 CD GLU A 56 2.792 -8.703 5.954 1.00 0.00 C ATOM 806 OE1 GLU A 56 1.780 -8.352 6.596 1.00 0.00 O ATOM 807 OE2 GLU A 56 3.957 -8.553 6.378 1.00 0.00 O ATOM 0 H GLU A 56 -1.170 -10.164 4.031 1.00 0.00 H new ATOM 0 HA GLU A 56 0.874 -8.799 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.540 -9.528 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.285 -11.034 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.359 -10.110 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.745 -8.594 3.818 1.00 0.00 H new ATOM 814 N SER A 57 0.557 -11.959 1.968 1.00 0.00 N ATOM 815 CA SER A 57 0.912 -13.015 1.032 1.00 0.00 C ATOM 816 C SER A 57 0.373 -12.582 -0.307 1.00 0.00 C ATOM 817 O SER A 57 1.060 -12.645 -1.327 1.00 0.00 O ATOM 818 CB SER A 57 0.306 -14.355 1.455 1.00 0.00 C ATOM 819 OG SER A 57 1.000 -15.439 0.862 1.00 0.00 O ATOM 0 H SER A 57 -0.246 -12.184 2.555 1.00 0.00 H new ATOM 0 HA SER A 57 1.991 -13.164 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.341 -14.447 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.744 -14.390 1.166 1.00 0.00 H new ATOM 0 HG SER A 57 0.594 -16.284 1.149 1.00 0.00 H new ATOM 825 N ASP A 58 -0.840 -12.022 -0.261 1.00 0.00 N ATOM 826 CA ASP A 58 -1.447 -11.438 -1.436 1.00 0.00 C ATOM 827 C ASP A 58 -0.517 -10.332 -1.886 1.00 0.00 C ATOM 828 O ASP A 58 -0.518 -9.920 -3.046 1.00 0.00 O ATOM 829 CB ASP A 58 -2.841 -10.888 -1.110 1.00 0.00 C ATOM 830 CG ASP A 58 -3.379 -9.964 -2.181 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.205 -10.277 -3.378 1.00 0.00 O ATOM 832 OD2 ASP A 58 -3.975 -8.927 -1.821 1.00 0.00 O ATOM 0 H ASP A 58 -1.411 -11.966 0.582 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.583 -12.179 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.532 -11.721 -0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.801 -10.352 -0.162 1.00 0.00 H new ATOM 837 N GLY A 59 0.280 -9.853 -0.923 1.00 0.00 N ATOM 838 CA GLY A 59 1.211 -8.786 -1.209 1.00 0.00 C ATOM 839 C GLY A 59 0.487 -7.489 -1.373 1.00 0.00 C ATOM 840 O GLY A 59 0.674 -6.796 -2.361 1.00 0.00 O ATOM 0 H GLY A 59 0.291 -10.188 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.938 -8.704 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.768 -9.015 -2.117 1.00 0.00 H new ATOM 844 N ARG A 60 -0.335 -7.169 -0.386 1.00 0.00 N ATOM 845 CA ARG A 60 -1.114 -5.944 -0.395 1.00 0.00 C ATOM 846 C ARG A 60 -0.661 -5.078 0.751 1.00 0.00 C ATOM 847 O ARG A 60 -1.458 -4.612 1.566 1.00 0.00 O ATOM 848 CB ARG A 60 -2.606 -6.264 -0.273 1.00 0.00 C ATOM 849 CG ARG A 60 -3.513 -5.110 -0.675 1.00 0.00 C ATOM 850 CD ARG A 60 -4.977 -5.443 -0.434 1.00 0.00 C ATOM 851 NE ARG A 60 -5.715 -4.301 0.103 1.00 0.00 N ATOM 852 CZ ARG A 60 -7.043 -4.237 0.160 1.00 0.00 C ATOM 853 NH1 ARG A 60 -7.783 -5.246 -0.286 1.00 0.00 N ATOM 854 NH2 ARG A 60 -7.634 -3.163 0.664 1.00 0.00 N ATOM 0 H ARG A 60 -0.480 -7.750 0.440 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.962 -5.414 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.835 -7.129 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.825 -6.545 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.243 -4.219 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.361 -4.876 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.435 -5.764 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.049 -6.281 0.260 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.181 -3.507 0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.334 -6.075 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.801 -5.192 -0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.071 -2.385 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.652 -3.114 0.708 1.00 0.00 H new ATOM 868 N ILE A 61 0.644 -4.914 0.827 1.00 0.00 N ATOM 869 CA ILE A 61 1.267 -4.190 1.843 1.00 0.00 C ATOM 870 C ILE A 61 1.297 -2.712 1.607 1.00 0.00 C ATOM 871 O ILE A 61 1.505 -2.244 0.491 1.00 0.00 O ATOM 872 CB ILE A 61 2.688 -4.662 2.010 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.350 -5.074 0.683 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.715 -5.807 2.991 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.245 -4.026 -0.405 1.00 0.00 C ATOM 0 H ILE A 61 1.295 -5.306 0.146 1.00 0.00 H new ATOM 0 HA ILE A 61 0.671 -4.369 2.738 1.00 0.00 H new ATOM 0 HB ILE A 61 3.270 -3.822 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.403 -5.291 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.891 -5.997 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.741 -6.154 3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.325 -5.472 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.099 -6.624 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.734 -4.389 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.195 -3.825 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.730 -3.108 -0.074 1.00 0.00 H new ATOM 887 N HIS A 62 1.128 -2.007 2.704 1.00 0.00 N ATOM 888 CA HIS A 62 1.171 -0.567 2.755 1.00 0.00 C ATOM 889 C HIS A 62 -0.039 -0.028 3.491 1.00 0.00 C ATOM 890 O HIS A 62 -1.147 0.002 2.955 1.00 0.00 O ATOM 891 CB HIS A 62 1.267 0.094 1.382 1.00 0.00 C ATOM 892 CG HIS A 62 2.617 -0.040 0.750 1.00 0.00 C ATOM 893 ND1 HIS A 62 2.793 -0.259 -0.599 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.859 -0.007 1.291 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.084 -0.356 -0.862 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.752 -0.206 0.267 1.00 0.00 N ATOM 0 H HIS A 62 0.951 -2.436 3.612 1.00 0.00 H new ATOM 0 HA HIS A 62 2.086 -0.316 3.292 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.520 -0.347 0.722 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.023 1.152 1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.101 0.147 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.519 -0.529 -1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.767 -0.233 0.363 1.00 0.00 H new ATOM 905 N LYS A 63 0.186 0.409 4.711 1.00 0.00 N ATOM 906 CA LYS A 63 -0.882 0.968 5.521 1.00 0.00 C ATOM 907 C LYS A 63 -1.055 2.426 5.167 1.00 0.00 C ATOM 908 O LYS A 63 -0.178 3.241 5.460 1.00 0.00 O ATOM 909 CB LYS A 63 -0.559 0.830 7.009 1.00 0.00 C ATOM 910 CG LYS A 63 0.873 1.199 7.362 1.00 0.00 C ATOM 911 CD LYS A 63 1.732 -0.036 7.578 1.00 0.00 C ATOM 912 CE LYS A 63 3.165 0.335 7.923 1.00 0.00 C ATOM 913 NZ LYS A 63 4.059 0.264 6.735 1.00 0.00 N ATOM 0 H LYS A 63 1.098 0.389 5.167 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.805 0.424 5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.239 1.463 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.746 -0.198 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.301 1.805 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.880 1.810 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.308 -0.639 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.721 -0.650 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.189 1.344 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.537 -0.336 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.027 0.524 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.056 -0.704 6.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.719 0.923 6.005 1.00 0.00 H new ATOM 927 N GLY A 64 -2.160 2.768 4.514 1.00 0.00 N ATOM 928 CA GLY A 64 -2.329 4.155 4.137 1.00 0.00 C ATOM 929 C GLY A 64 -1.496 4.485 2.931 1.00 0.00 C ATOM 930 O GLY A 64 -0.271 4.548 3.005 1.00 0.00 O ATOM 0 H GLY A 64 -2.915 2.136 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.379 4.353 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.045 4.800 4.969 1.00 0.00 H new ATOM 934 N ASP A 65 -2.170 4.645 1.812 1.00 0.00 N ATOM 935 CA ASP A 65 -1.494 4.930 0.542 1.00 0.00 C ATOM 936 C ASP A 65 -2.501 5.229 -0.565 1.00 0.00 C ATOM 937 O ASP A 65 -3.682 5.388 -0.281 1.00 0.00 O ATOM 938 CB ASP A 65 -0.641 3.732 0.192 1.00 0.00 C ATOM 939 CG ASP A 65 0.841 4.043 0.230 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.227 5.149 -0.202 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.617 3.180 0.692 1.00 0.00 O ATOM 0 H ASP A 65 -3.186 4.585 1.745 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.869 5.817 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.857 2.921 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.909 3.378 -0.803 1.00 0.00 H new ATOM 946 N ARG A 66 -2.069 5.342 -1.831 1.00 0.00 N ATOM 947 CA ARG A 66 -3.056 5.653 -2.862 1.00 0.00 C ATOM 948 C ARG A 66 -3.067 4.744 -4.100 1.00 0.00 C ATOM 949 O ARG A 66 -2.196 4.797 -4.960 1.00 0.00 O ATOM 950 CB ARG A 66 -2.893 7.105 -3.310 1.00 0.00 C ATOM 951 CG ARG A 66 -2.818 8.094 -2.157 1.00 0.00 C ATOM 952 CD ARG A 66 -1.476 8.806 -2.111 1.00 0.00 C ATOM 953 NE ARG A 66 -1.605 10.238 -2.374 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.692 10.765 -3.593 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.664 9.985 -4.666 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.808 12.078 -3.740 1.00 0.00 N ATOM 0 H ARG A 66 -1.106 5.230 -2.147 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.015 5.473 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.988 7.191 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.730 7.374 -3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.616 8.829 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.983 7.569 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.020 8.657 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.805 8.362 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.630 10.872 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.575 8.974 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.731 10.396 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.830 12.683 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.875 12.483 -4.674 1.00 0.00 H new ATOM 970 N VAL A 67 -4.121 3.946 -4.168 1.00 0.00 N ATOM 971 CA VAL A 67 -4.421 3.042 -5.205 1.00 0.00 C ATOM 972 C VAL A 67 -5.126 3.613 -6.388 1.00 0.00 C ATOM 973 O VAL A 67 -6.059 4.409 -6.276 1.00 0.00 O ATOM 974 CB VAL A 67 -5.303 1.925 -4.710 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.420 0.792 -4.479 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.075 2.279 -3.477 1.00 0.00 C ATOM 0 H VAL A 67 -4.826 3.932 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.432 2.710 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.070 1.699 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.002 -0.055 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.925 0.520 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.670 1.061 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.689 1.430 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.382 2.529 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.717 3.136 -3.683 1.00 0.00 H new ATOM 986 N LEU A 68 -4.723 3.100 -7.521 1.00 0.00 N ATOM 987 CA LEU A 68 -5.371 3.451 -8.751 1.00 0.00 C ATOM 988 C LEU A 68 -6.589 2.543 -8.899 1.00 0.00 C ATOM 989 O LEU A 68 -7.696 3.015 -9.157 1.00 0.00 O ATOM 990 CB LEU A 68 -4.430 3.311 -9.954 1.00 0.00 C ATOM 991 CG LEU A 68 -3.533 2.071 -9.959 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.243 1.635 -11.386 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.237 2.352 -9.214 1.00 0.00 C ATOM 0 H LEU A 68 -3.951 2.440 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.672 4.498 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.032 3.304 -10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.795 4.196 -9.999 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.055 1.261 -9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.604 0.752 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.179 1.398 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.738 2.441 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.610 1.461 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.710 3.174 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.462 2.623 -8.183 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.388 1.230 -8.685 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.481 0.273 -8.745 1.00 0.00 C ATOM 1007 C ALA A 69 -7.404 -0.652 -7.553 1.00 0.00 C ATOM 1008 O ALA A 69 -6.320 -0.904 -7.056 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.446 -0.510 -10.048 1.00 0.00 C ATOM 0 H ALA A 69 -5.479 0.820 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.428 0.811 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.274 -1.219 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.537 0.178 -10.889 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.503 -1.051 -10.122 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.533 -1.183 -7.125 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.571 -2.122 -6.023 1.00 0.00 C ATOM 1017 C VAL A 70 -9.229 -3.401 -6.493 1.00 0.00 C ATOM 1018 O VAL A 70 -10.151 -3.372 -7.307 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.321 -1.561 -4.816 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.759 -1.356 -5.199 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.198 -2.493 -3.620 1.00 0.00 C ATOM 0 H VAL A 70 -9.446 -0.976 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.547 -2.316 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.885 -0.606 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.309 -0.955 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.817 -0.654 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.196 -2.309 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.740 -2.072 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.619 -3.466 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.147 -2.609 -3.356 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.739 -4.517 -5.998 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.246 -5.831 -6.382 1.00 0.00 C ATOM 1033 C ASN A 71 -9.480 -5.916 -7.887 1.00 0.00 C ATOM 1034 O ASN A 71 -10.209 -6.785 -8.363 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.546 -6.107 -5.670 1.00 0.00 C ATOM 1036 CG ASN A 71 -10.884 -7.587 -5.619 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.536 -8.347 -6.523 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -11.566 -8.002 -4.558 1.00 0.00 N ATOM 0 H ASN A 71 -7.979 -4.547 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.497 -6.572 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.489 -5.716 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.352 -5.572 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.822 -8.985 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.834 -7.337 -3.832 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.869 -5.003 -8.632 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.047 -5.004 -10.075 1.00 0.00 C ATOM 1047 C GLY A 72 -9.930 -3.876 -10.565 1.00 0.00 C ATOM 1048 O GLY A 72 -9.780 -3.423 -11.701 1.00 0.00 O ATOM 0 H GLY A 72 -8.260 -4.269 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.072 -4.929 -10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.481 -5.956 -10.381 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.827 -3.387 -9.713 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.682 -2.277 -10.101 1.00 0.00 C ATOM 1054 C VAL A 73 -10.948 -0.993 -9.802 1.00 0.00 C ATOM 1055 O VAL A 73 -10.253 -0.904 -8.805 1.00 0.00 O ATOM 1056 CB VAL A 73 -13.069 -2.267 -9.384 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.861 -1.014 -9.745 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.856 -3.521 -9.736 1.00 0.00 C ATOM 0 H VAL A 73 -10.977 -3.736 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.896 -2.385 -11.164 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.897 -2.256 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.823 -1.031 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.303 -0.130 -9.438 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.024 -0.985 -10.822 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.821 -3.500 -9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.014 -3.561 -10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.298 -4.402 -9.418 1.00 0.00 H new ATOM 1068 N SER A 74 -11.092 0.002 -10.649 1.00 0.00 N ATOM 1069 CA SER A 74 -10.409 1.255 -10.406 1.00 0.00 C ATOM 1070 C SER A 74 -11.195 1.997 -9.353 1.00 0.00 C ATOM 1071 O SER A 74 -12.366 2.314 -9.567 1.00 0.00 O ATOM 1072 CB SER A 74 -10.317 2.083 -11.689 1.00 0.00 C ATOM 1073 OG SER A 74 -9.720 1.338 -12.736 1.00 0.00 O ATOM 0 H SER A 74 -11.662 -0.028 -11.494 1.00 0.00 H new ATOM 0 HA SER A 74 -9.389 1.072 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.314 2.404 -11.990 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.734 2.985 -11.502 1.00 0.00 H new ATOM 0 HG SER A 74 -9.675 1.889 -13.545 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.578 2.271 -8.202 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.278 2.949 -7.181 1.00 0.00 C ATOM 1081 C LEU A 75 -10.937 4.391 -7.296 1.00 0.00 C ATOM 1082 O LEU A 75 -10.138 4.928 -6.544 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.886 2.415 -5.811 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.417 2.621 -5.466 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.247 2.888 -3.979 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.597 1.418 -5.890 1.00 0.00 C ATOM 0 H LEU A 75 -9.612 2.027 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.352 2.797 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.499 2.902 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.113 1.350 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.056 3.492 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.190 3.032 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.802 3.785 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.626 2.038 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.550 1.583 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.960 0.530 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.690 1.275 -6.967 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.553 5.018 -8.248 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.304 6.404 -8.467 1.00 0.00 C ATOM 1100 C GLU A 76 -12.333 7.217 -7.701 1.00 0.00 C ATOM 1101 O GLU A 76 -12.794 8.260 -8.163 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.348 6.742 -9.958 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.354 7.816 -10.367 1.00 0.00 C ATOM 1104 CD GLU A 76 -11.006 9.172 -10.554 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.260 9.854 -9.538 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -11.261 9.553 -11.715 1.00 0.00 O ATOM 0 H GLU A 76 -12.229 4.593 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.305 6.649 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.150 5.837 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.354 7.072 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.575 7.893 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.866 7.520 -11.296 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.717 6.698 -6.536 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.715 7.338 -5.729 1.00 0.00 C ATOM 1115 C GLY A 77 -15.031 6.607 -5.847 1.00 0.00 C ATOM 1116 O GLY A 77 -16.086 7.128 -5.484 1.00 0.00 O ATOM 0 H GLY A 77 -12.343 5.835 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.394 7.357 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.837 8.374 -6.044 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.951 5.382 -6.360 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.116 4.542 -6.538 1.00 0.00 C ATOM 1122 C ALA A 78 -16.448 3.824 -5.254 1.00 0.00 C ATOM 1123 O ALA A 78 -17.587 3.891 -4.800 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.885 3.544 -7.661 1.00 0.00 C ATOM 0 H ALA A 78 -14.077 4.951 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.961 5.175 -6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.771 2.920 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.690 4.080 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.029 2.915 -7.418 1.00 0.00 H new ATOM 1130 N THR A 79 -15.463 3.124 -4.664 1.00 0.00 N ATOM 1131 CA THR A 79 -15.694 2.399 -3.449 1.00 0.00 C ATOM 1132 C THR A 79 -17.117 2.064 -3.281 1.00 0.00 C ATOM 1133 O THR A 79 -17.570 1.083 -3.854 1.00 0.00 O ATOM 1134 CB THR A 79 -15.179 3.135 -2.239 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.988 4.514 -2.496 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.909 2.548 -1.838 1.00 0.00 C ATOM 0 H THR A 79 -14.511 3.059 -5.024 1.00 0.00 H new ATOM 0 HA THR A 79 -15.131 1.469 -3.533 1.00 0.00 H new ATOM 0 HB THR A 79 -15.923 3.043 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.970 5.005 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.526 3.073 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.055 1.495 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.193 2.636 -2.655 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.805 2.867 -2.479 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.202 2.632 -2.213 1.00 0.00 C ATOM 1146 C HIS A 80 -19.536 1.200 -2.604 1.00 0.00 C ATOM 1147 O HIS A 80 -19.575 0.310 -1.757 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.054 3.682 -2.935 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.423 3.229 -3.289 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.839 2.566 -4.368 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.540 3.452 -2.512 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.196 2.386 -4.250 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.596 2.933 -3.114 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.412 3.682 -2.007 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.427 2.740 -1.152 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.130 4.567 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.539 3.985 -3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.550 3.968 -1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.830 1.882 -4.965 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.554 2.951 -2.763 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.726 0.964 -3.887 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.972 -0.381 -4.359 1.00 0.00 C ATOM 1164 C LYS A 81 -18.695 -1.217 -4.584 1.00 0.00 C ATOM 1165 O LYS A 81 -18.496 -2.276 -3.994 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.779 -0.332 -5.657 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.262 -1.695 -6.126 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.511 -1.579 -6.984 1.00 0.00 C ATOM 1169 CE LYS A 81 -23.403 -2.801 -6.838 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.752 -3.068 -5.415 1.00 0.00 N ATOM 0 H LYS A 81 -19.715 1.679 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.530 -0.879 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.641 0.320 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.166 0.116 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.473 -2.186 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.470 -2.325 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -23.067 -0.685 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -22.226 -1.458 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -24.316 -2.654 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.898 -3.671 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.680 -3.536 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.031 -3.685 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.790 -2.170 -4.892 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.865 -0.727 -5.514 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.662 -1.443 -5.974 1.00 0.00 C ATOM 1186 C GLN A 82 -15.488 -1.546 -5.044 1.00 0.00 C ATOM 1187 O GLN A 82 -14.972 -2.636 -4.829 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.118 -0.758 -7.235 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.200 -0.348 -8.214 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.651 0.211 -9.512 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.664 1.093 -9.406 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -17.108 -0.144 -10.598 1.00 0.00 N flip ATOM 0 H GLN A 82 -18.006 0.175 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.038 -2.458 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.550 0.125 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.423 -1.433 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.827 -1.212 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.840 0.400 -7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.867 -0.825 -10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.728 0.242 -11.462 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.993 -0.433 -4.573 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.777 -0.520 -3.766 1.00 0.00 C ATOM 1203 C ALA A 83 -14.000 -1.002 -2.376 1.00 0.00 C ATOM 1204 O ALA A 83 -13.346 -1.936 -1.915 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.942 0.755 -3.825 1.00 0.00 C ATOM 0 H ALA A 83 -15.376 0.502 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.182 -1.303 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.051 0.635 -3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.646 0.949 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.531 1.593 -3.453 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.936 -0.409 -1.733 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.240 -0.792 -0.385 1.00 0.00 C ATOM 1213 C VAL A 84 -15.725 -2.217 -0.354 1.00 0.00 C ATOM 1214 O VAL A 84 -15.298 -3.022 0.477 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.282 0.136 0.267 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.203 0.704 -0.780 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.085 -0.604 1.322 1.00 0.00 C ATOM 0 H VAL A 84 -15.511 0.345 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.321 -0.702 0.194 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.750 0.954 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.934 1.358 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.622 1.275 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.720 -0.109 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.813 0.074 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.605 -1.444 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.414 -0.974 2.097 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.911 -11.671 -1.611 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.623 -13.054 -1.273 1.00 0.00 C ATOM 1329 C GLY A 91 -9.941 -14.028 -2.394 1.00 0.00 C ATOM 1330 O GLY A 91 -9.031 -14.651 -2.941 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.569 -13.144 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.196 -13.331 -0.388 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.231 -14.167 -2.741 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.651 -15.082 -3.816 1.00 0.00 C ATOM 1336 C GLN A 92 -10.577 -15.141 -4.894 1.00 0.00 C ATOM 1337 O GLN A 92 -10.226 -16.205 -5.400 1.00 0.00 O ATOM 1338 CB GLN A 92 -12.980 -14.622 -4.423 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.958 -13.185 -4.915 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.297 -12.737 -5.467 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.305 -13.430 -5.321 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.315 -11.574 -6.106 1.00 0.00 N ATOM 0 H GLN A 92 -11.997 -13.661 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.789 -16.077 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.237 -15.278 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.767 -14.730 -3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.669 -12.528 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.197 -13.081 -5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.456 -11.032 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.188 -11.222 -6.499 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.043 -13.970 -5.193 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.014 -13.772 -6.109 1.00 0.00 C ATOM 1353 C VAL A 93 -8.840 -12.290 -6.233 1.00 0.00 C ATOM 1354 O VAL A 93 -9.735 -11.582 -6.699 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.272 -14.426 -7.439 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.119 -13.562 -8.366 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.916 -14.702 -7.979 1.00 0.00 C ATOM 0 H VAL A 93 -10.358 -13.102 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.100 -14.247 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.862 -15.337 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.273 -14.084 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.084 -13.365 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.607 -12.618 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.003 -15.182 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.368 -13.765 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.380 -15.361 -7.297 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.744 -11.801 -5.709 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.545 -10.404 -5.666 1.00 0.00 C ATOM 1369 C VAL A 94 -6.375 -9.933 -6.480 1.00 0.00 C ATOM 1370 O VAL A 94 -5.271 -10.472 -6.439 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.330 -9.962 -4.245 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.915 -9.486 -4.148 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.326 -8.883 -3.829 1.00 0.00 C ATOM 0 H VAL A 94 -6.989 -12.360 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.445 -9.964 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.500 -10.790 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.712 -9.154 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.239 -10.301 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.762 -8.656 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.136 -8.592 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.213 -8.014 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.341 -9.271 -3.916 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.653 -8.878 -7.155 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.673 -8.171 -7.952 1.00 0.00 C ATOM 1385 C HIS A 95 -5.763 -6.676 -7.707 1.00 0.00 C ATOM 1386 O HIS A 95 -6.789 -6.067 -7.992 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.838 -8.555 -9.399 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.430 -9.968 -9.565 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.171 -11.013 -9.099 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.287 -10.504 -10.007 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.476 -12.116 -9.247 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.348 -11.836 -9.810 1.00 0.00 N ATOM 0 H HIS A 95 -7.583 -8.459 -7.181 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.664 -8.459 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.874 -8.422 -9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.230 -7.909 -10.033 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.460 -9.964 -10.445 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.797 -13.102 -8.946 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.625 -12.509 -10.063 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.723 -6.085 -7.140 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.743 -4.710 -6.831 1.00 0.00 C ATOM 1403 C LEU A 96 -3.649 -3.894 -7.414 1.00 0.00 C ATOM 1404 O LEU A 96 -2.492 -4.227 -7.303 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.674 -4.529 -5.343 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.793 -3.692 -4.933 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.228 -3.966 -3.500 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.491 -2.223 -5.185 1.00 0.00 C ATOM 0 H LEU A 96 -3.857 -6.564 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.673 -4.354 -7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.718 -5.495 -4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.729 -4.065 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.649 -3.957 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.065 -3.316 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.535 -5.008 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.396 -3.770 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.341 -1.618 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.608 -1.930 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.307 -2.066 -6.248 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.044 -2.760 -7.936 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.096 -1.803 -8.439 1.00 0.00 C ATOM 1422 C LEU A 97 -3.054 -0.611 -7.493 1.00 0.00 C ATOM 1423 O LEU A 97 -4.038 0.115 -7.347 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.480 -1.352 -9.839 1.00 0.00 C ATOM 1425 CG LEU A 97 -3.016 -2.295 -10.927 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.558 -1.867 -12.284 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.497 -2.353 -10.939 1.00 0.00 C ATOM 0 H LEU A 97 -5.020 -2.478 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.110 -2.265 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.564 -1.251 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.058 -0.364 -10.022 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.404 -3.293 -10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.211 -2.561 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.648 -1.871 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.204 -0.863 -12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.165 -3.033 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.096 -1.357 -11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.139 -2.711 -9.974 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.914 -0.435 -6.843 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.719 0.650 -5.877 1.00 0.00 C ATOM 1441 C LEU A 98 -0.685 1.642 -6.348 1.00 0.00 C ATOM 1442 O LEU A 98 0.232 1.296 -7.083 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.272 0.068 -4.541 1.00 0.00 C ATOM 1444 CG LEU A 98 0.114 0.504 -4.048 1.00 0.00 C ATOM 1445 CD1 LEU A 98 0.001 1.741 -3.165 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.760 -0.655 -3.328 1.00 0.00 C ATOM 0 H LEU A 98 -1.098 -1.034 -6.965 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.670 1.172 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.007 0.341 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.283 -1.019 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 98 0.745 0.780 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.993 2.037 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.444 2.556 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.627 1.516 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.747 -0.358 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.141 -0.947 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.859 -1.498 -4.012 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.817 2.868 -5.873 1.00 0.00 N ATOM 1459 CA GLU A 99 0.152 3.904 -6.212 1.00 0.00 C ATOM 1460 C GLU A 99 0.608 4.684 -4.986 1.00 0.00 C ATOM 1461 O GLU A 99 -0.184 5.280 -4.258 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.370 4.840 -7.309 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.649 6.273 -6.865 1.00 0.00 C ATOM 1464 CD GLU A 99 -0.971 7.189 -8.029 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -1.516 6.695 -9.039 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -0.678 8.399 -7.932 1.00 0.00 O ATOM 0 H GLU A 99 -1.573 3.171 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 99 1.027 3.392 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.358 4.864 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.289 4.418 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.483 6.277 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.219 6.660 -6.331 1.00 0.00 H new