USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 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 Set 1.1: A 25 SER OG : rot -130:sc= -2.25 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -169:sc= 0.421 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0256 (180deg=-0.22) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.77! C(o=-3.8!,f=-3.7!) USER MOD Single : A 21 SER OG : rot -145:sc= -1.26! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 32 LYS NZ :NH3+ -136:sc= -2.97! (180deg=-4.43!) USER MOD Single : A 45 TYR OH : rot 180:sc= -2.07 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 HE2:sc= -0.583 K(o=-0.58,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.91 K(o=-0.91,f=-2.1) USER MOD Single : A 74 SER OG : rot 32:sc= 0.417 USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.483 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.73 F(o=-4.8!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= -0.153 (180deg=-0.792) USER MOD Single : A 82 GLN : amide:sc= -6.52! C(o=-6.5!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 95 HIS : no HD1:sc= -10.3! C(o=-10!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.478 0.798 -3.565 1.00 0.00 N ATOM 97 CA GLY A 8 7.026 2.127 -3.354 1.00 0.00 C ATOM 98 C GLY A 8 6.563 3.123 -4.401 1.00 0.00 C ATOM 99 O GLY A 8 7.104 4.224 -4.502 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.735 2.483 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.115 2.073 -3.366 1.00 0.00 H new ATOM 103 N ASP A 9 5.562 2.733 -5.185 1.00 0.00 N ATOM 104 CA ASP A 9 5.022 3.565 -6.223 1.00 0.00 C ATOM 105 C ASP A 9 3.820 2.866 -6.799 1.00 0.00 C ATOM 106 O ASP A 9 2.753 2.831 -6.189 1.00 0.00 O ATOM 107 CB ASP A 9 6.074 3.832 -7.280 1.00 0.00 C ATOM 108 CG ASP A 9 6.710 5.202 -7.144 1.00 0.00 C ATOM 109 OD1 ASP A 9 6.379 5.918 -6.174 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.539 5.559 -8.007 1.00 0.00 O ATOM 0 H ASP A 9 5.109 1.823 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 9 4.719 4.533 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.849 3.069 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.621 3.743 -8.267 1.00 0.00 H new ATOM 115 N ILE A 10 4.011 2.270 -7.938 1.00 0.00 N ATOM 116 CA ILE A 10 2.952 1.519 -8.565 1.00 0.00 C ATOM 117 C ILE A 10 3.159 0.032 -8.300 1.00 0.00 C ATOM 118 O ILE A 10 3.947 -0.638 -8.967 1.00 0.00 O ATOM 119 CB ILE A 10 2.926 1.785 -10.084 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.746 1.066 -10.746 1.00 0.00 C ATOM 121 CG2 ILE A 10 4.240 1.358 -10.724 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.451 1.168 -9.971 1.00 0.00 C ATOM 0 H ILE A 10 4.889 2.286 -8.456 1.00 0.00 H new ATOM 0 HA ILE A 10 1.997 1.834 -8.144 1.00 0.00 H new ATOM 0 HB ILE A 10 2.799 2.857 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.595 1.480 -11.743 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.000 0.014 -10.873 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.203 1.553 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.061 1.922 -10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.398 0.293 -10.554 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.335 0.634 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.583 0.727 -8.983 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.171 2.216 -9.866 1.00 0.00 H new ATOM 134 N PHE A 11 2.421 -0.467 -7.321 1.00 0.00 N ATOM 135 CA PHE A 11 2.469 -1.868 -6.935 1.00 0.00 C ATOM 136 C PHE A 11 1.099 -2.501 -7.129 1.00 0.00 C ATOM 137 O PHE A 11 0.099 -1.809 -7.057 1.00 0.00 O ATOM 138 CB PHE A 11 2.937 -1.984 -5.477 1.00 0.00 C ATOM 139 CG PHE A 11 2.856 -3.358 -4.902 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.386 -4.443 -5.577 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.256 -3.561 -3.673 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.314 -5.708 -5.034 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.182 -4.820 -3.127 1.00 0.00 C ATOM 144 CZ PHE A 11 2.710 -5.893 -3.808 1.00 0.00 C ATOM 0 H PHE A 11 1.769 0.091 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 11 3.180 -2.402 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.969 -1.639 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.337 -1.312 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.860 -4.298 -6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.841 -2.721 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.729 -6.551 -5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.711 -4.967 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.651 -6.883 -3.381 1.00 0.00 H new ATOM 154 N GLU A 12 1.036 -3.805 -7.337 1.00 0.00 N ATOM 155 CA GLU A 12 -0.237 -4.473 -7.484 1.00 0.00 C ATOM 156 C GLU A 12 -0.256 -5.726 -6.614 1.00 0.00 C ATOM 157 O GLU A 12 0.804 -6.299 -6.363 1.00 0.00 O ATOM 158 CB GLU A 12 -0.547 -4.782 -8.958 1.00 0.00 C ATOM 159 CG GLU A 12 -0.528 -6.263 -9.314 1.00 0.00 C ATOM 160 CD GLU A 12 -0.568 -6.504 -10.809 1.00 0.00 C ATOM 161 OE1 GLU A 12 0.447 -6.228 -11.482 1.00 0.00 O ATOM 162 OE2 GLU A 12 -1.613 -6.971 -11.308 1.00 0.00 O ATOM 0 H GLU A 12 1.850 -4.416 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.030 -3.807 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.529 -4.376 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.178 -4.262 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.370 -6.721 -8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.381 -6.756 -8.847 1.00 0.00 H new ATOM 169 N VAL A 13 -1.431 -6.165 -6.122 1.00 0.00 N ATOM 170 CA VAL A 13 -1.438 -7.333 -5.283 1.00 0.00 C ATOM 171 C VAL A 13 -2.355 -8.383 -5.857 1.00 0.00 C ATOM 172 O VAL A 13 -3.577 -8.238 -5.859 1.00 0.00 O ATOM 173 CB VAL A 13 -1.879 -6.959 -3.847 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.435 -5.547 -3.493 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.384 -7.092 -3.664 1.00 0.00 C ATOM 0 H VAL A 13 -2.341 -5.736 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.427 -7.739 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.394 -7.663 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.757 -5.308 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.349 -5.481 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.881 -4.839 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.652 -6.820 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.895 -6.429 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.684 -8.122 -3.856 1.00 0.00 H new ATOM 185 N GLU A 14 -1.760 -9.442 -6.359 1.00 0.00 N ATOM 186 CA GLU A 14 -2.526 -10.500 -6.934 1.00 0.00 C ATOM 187 C GLU A 14 -2.369 -11.832 -6.201 1.00 0.00 C ATOM 188 O GLU A 14 -1.264 -12.354 -6.073 1.00 0.00 O ATOM 189 CB GLU A 14 -2.150 -10.694 -8.373 1.00 0.00 C ATOM 190 CG GLU A 14 -0.817 -11.392 -8.601 1.00 0.00 C ATOM 191 CD GLU A 14 0.371 -10.567 -8.146 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.796 -9.670 -8.903 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.876 -10.818 -7.032 1.00 0.00 O ATOM 0 H GLU A 14 -0.750 -9.584 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.569 -10.196 -6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.934 -11.271 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.121 -9.719 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.816 -12.344 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.709 -11.619 -9.662 1.00 0.00 H new ATOM 200 N LEU A 15 -3.486 -12.394 -5.816 1.00 0.00 N ATOM 201 CA LEU A 15 -3.561 -13.709 -5.177 1.00 0.00 C ATOM 202 C LEU A 15 -4.826 -14.419 -5.620 1.00 0.00 C ATOM 203 O LEU A 15 -5.846 -13.782 -5.876 1.00 0.00 O ATOM 204 CB LEU A 15 -3.520 -13.627 -3.644 1.00 0.00 C ATOM 205 CG LEU A 15 -2.244 -14.203 -3.041 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.245 -15.722 -3.127 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.057 -13.618 -3.775 1.00 0.00 C ATOM 0 H LEU A 15 -4.397 -11.950 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.682 -14.271 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.618 -12.585 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.379 -14.160 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.184 -13.939 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.325 -16.112 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.101 -16.117 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.309 -16.027 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.135 -14.020 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.118 -13.878 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.061 -12.533 -3.668 1.00 0.00 H new ATOM 219 N ALA A 16 -4.767 -15.738 -5.689 1.00 0.00 N ATOM 220 CA ALA A 16 -5.909 -16.525 -6.079 1.00 0.00 C ATOM 221 C ALA A 16 -6.411 -17.259 -4.864 1.00 0.00 C ATOM 222 O ALA A 16 -5.656 -18.016 -4.260 1.00 0.00 O ATOM 223 CB ALA A 16 -5.511 -17.495 -7.172 1.00 0.00 C ATOM 0 H ALA A 16 -3.931 -16.283 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.701 -15.887 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.377 -18.089 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.143 -16.940 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.726 -18.156 -6.804 1.00 0.00 H new ATOM 229 N LYS A 17 -7.662 -17.019 -4.475 1.00 0.00 N ATOM 230 CA LYS A 17 -8.197 -17.675 -3.280 1.00 0.00 C ATOM 231 C LYS A 17 -7.716 -19.114 -3.204 1.00 0.00 C ATOM 232 O LYS A 17 -8.329 -20.023 -3.767 1.00 0.00 O ATOM 233 CB LYS A 17 -9.718 -17.643 -3.220 1.00 0.00 C ATOM 234 CG LYS A 17 -10.258 -18.431 -2.041 1.00 0.00 C ATOM 235 CD LYS A 17 -11.095 -19.618 -2.493 1.00 0.00 C ATOM 236 CE LYS A 17 -11.258 -20.641 -1.380 1.00 0.00 C ATOM 237 NZ LYS A 17 -9.983 -21.356 -1.092 1.00 0.00 N ATOM 0 H LYS A 17 -8.310 -16.393 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.824 -17.112 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.056 -16.609 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.126 -18.050 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.428 -18.783 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.863 -17.777 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.076 -19.271 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.624 -20.089 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.606 -20.142 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.024 -21.364 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.186 -22.230 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.508 -21.592 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.364 -20.745 -0.522 1.00 0.00 H new ATOM 251 N ASN A 18 -6.603 -19.300 -2.522 1.00 0.00 N ATOM 252 CA ASN A 18 -6.010 -20.632 -2.389 1.00 0.00 C ATOM 253 C ASN A 18 -5.520 -20.901 -0.971 1.00 0.00 C ATOM 254 O ASN A 18 -5.950 -21.856 -0.326 1.00 0.00 O ATOM 255 CB ASN A 18 -4.851 -20.794 -3.374 1.00 0.00 C ATOM 256 CG ASN A 18 -4.337 -22.218 -3.434 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.998 -23.107 -3.970 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.151 -22.444 -2.880 1.00 0.00 N ATOM 0 H ASN A 18 -6.088 -18.556 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.791 -21.358 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.177 -20.486 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.037 -20.129 -3.085 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.755 -23.384 -2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.636 -21.678 -2.446 1.00 0.00 H new ATOM 265 N ASP A 19 -4.631 -20.046 -0.490 1.00 0.00 N ATOM 266 CA ASP A 19 -4.090 -20.178 0.855 1.00 0.00 C ATOM 267 C ASP A 19 -4.317 -18.886 1.595 1.00 0.00 C ATOM 268 O ASP A 19 -4.621 -18.860 2.787 1.00 0.00 O ATOM 269 CB ASP A 19 -2.598 -20.519 0.815 1.00 0.00 C ATOM 270 CG ASP A 19 -2.050 -20.878 2.182 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.684 -20.507 3.191 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.988 -21.533 2.243 1.00 0.00 O ATOM 0 H ASP A 19 -4.267 -19.250 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.598 -20.993 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.437 -21.353 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.044 -19.669 0.417 1.00 0.00 H new ATOM 277 N ASN A 20 -4.211 -17.824 0.833 1.00 0.00 N ATOM 278 CA ASN A 20 -4.437 -16.491 1.308 1.00 0.00 C ATOM 279 C ASN A 20 -4.592 -15.587 0.113 1.00 0.00 C ATOM 280 O ASN A 20 -4.063 -15.875 -0.962 1.00 0.00 O ATOM 281 CB ASN A 20 -3.299 -15.991 2.193 1.00 0.00 C ATOM 282 CG ASN A 20 -3.256 -16.689 3.538 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.429 -17.572 3.766 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.149 -16.295 4.439 1.00 0.00 N ATOM 0 H ASN A 20 -3.960 -17.869 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.338 -16.488 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.350 -16.143 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.409 -14.918 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.167 -16.728 5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.816 -15.559 4.208 1.00 0.00 H new ATOM 291 N SER A 21 -5.317 -14.509 0.281 1.00 0.00 N ATOM 292 CA SER A 21 -5.526 -13.597 -0.817 1.00 0.00 C ATOM 293 C SER A 21 -6.109 -12.311 -0.263 1.00 0.00 C ATOM 294 O SER A 21 -6.956 -11.660 -0.875 1.00 0.00 O ATOM 295 CB SER A 21 -6.453 -14.257 -1.850 1.00 0.00 C ATOM 296 OG SER A 21 -6.421 -13.564 -3.086 1.00 0.00 O ATOM 0 H SER A 21 -5.768 -14.243 1.156 1.00 0.00 H new ATOM 0 HA SER A 21 -4.590 -13.359 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.151 -15.293 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.473 -14.276 -1.467 1.00 0.00 H new ATOM 0 HG SER A 21 -7.308 -13.596 -3.502 1.00 0.00 H new ATOM 302 N LEU A 22 -5.648 -11.997 0.939 1.00 0.00 N ATOM 303 CA LEU A 22 -6.089 -10.844 1.693 1.00 0.00 C ATOM 304 C LEU A 22 -5.595 -10.991 3.119 1.00 0.00 C ATOM 305 O LEU A 22 -5.006 -12.005 3.465 1.00 0.00 O ATOM 306 CB LEU A 22 -7.594 -10.840 1.814 1.00 0.00 C ATOM 307 CG LEU A 22 -8.007 -11.487 3.132 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.886 -10.550 3.948 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.698 -12.821 2.894 1.00 0.00 C ATOM 0 H LEU A 22 -4.942 -12.552 1.423 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.721 -9.949 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.969 -9.818 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.037 -11.381 0.978 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.102 -11.681 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.166 -11.036 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.337 -9.634 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.785 -10.308 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.981 -13.260 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.590 -12.665 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.018 -13.495 2.373 1.00 0.00 H new ATOM 321 N GLY A 23 -5.921 -10.021 3.958 1.00 0.00 N ATOM 322 CA GLY A 23 -5.566 -10.099 5.360 1.00 0.00 C ATOM 323 C GLY A 23 -5.283 -8.741 5.916 1.00 0.00 C ATOM 324 O GLY A 23 -4.385 -8.561 6.726 1.00 0.00 O ATOM 0 H GLY A 23 -6.428 -9.177 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.378 -10.563 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.690 -10.736 5.482 1.00 0.00 H new ATOM 328 N ILE A 24 -6.037 -7.772 5.459 1.00 0.00 N ATOM 329 CA ILE A 24 -5.828 -6.411 5.898 1.00 0.00 C ATOM 330 C ILE A 24 -7.044 -5.824 6.582 1.00 0.00 C ATOM 331 O ILE A 24 -8.185 -6.129 6.234 1.00 0.00 O ATOM 332 CB ILE A 24 -5.426 -5.519 4.713 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.603 -5.345 3.750 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.226 -6.139 3.983 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.515 -4.194 4.112 1.00 0.00 C ATOM 0 H ILE A 24 -6.796 -7.896 4.789 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.021 -6.442 6.630 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.145 -4.536 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.218 -5.189 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.185 -6.267 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.943 -5.504 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.386 -6.225 4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.496 -7.129 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.326 -4.131 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.930 -4.357 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.947 -3.264 4.104 1.00 0.00 H new ATOM 347 N SER A 25 -6.780 -4.951 7.542 1.00 0.00 N ATOM 348 CA SER A 25 -7.824 -4.285 8.259 1.00 0.00 C ATOM 349 C SER A 25 -8.008 -2.905 7.664 1.00 0.00 C ATOM 350 O SER A 25 -7.101 -2.074 7.710 1.00 0.00 O ATOM 351 CB SER A 25 -7.513 -4.203 9.754 1.00 0.00 C ATOM 352 OG SER A 25 -6.894 -5.392 10.213 1.00 0.00 O ATOM 0 H SER A 25 -5.837 -4.694 7.835 1.00 0.00 H new ATOM 0 HA SER A 25 -8.749 -4.854 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.860 -3.352 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.434 -4.030 10.311 1.00 0.00 H new ATOM 0 HG SER A 25 -7.356 -5.713 11.015 1.00 0.00 H new ATOM 358 N VAL A 26 -9.164 -2.675 7.067 1.00 0.00 N ATOM 359 CA VAL A 26 -9.430 -1.406 6.423 1.00 0.00 C ATOM 360 C VAL A 26 -10.269 -0.499 7.311 1.00 0.00 C ATOM 361 O VAL A 26 -10.938 -0.963 8.235 1.00 0.00 O ATOM 362 CB VAL A 26 -10.134 -1.610 5.066 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.376 -2.475 5.226 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.483 -0.274 4.431 1.00 0.00 C ATOM 0 H VAL A 26 -9.929 -3.348 7.016 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.468 -0.924 6.250 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.443 -2.129 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.856 -2.605 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.092 -3.449 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.071 -1.991 5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.979 -0.444 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.150 0.280 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.571 0.301 4.270 1.00 0.00 H new ATOM 374 N THR A 27 -10.184 0.805 7.047 1.00 0.00 N ATOM 375 CA THR A 27 -10.889 1.811 7.838 1.00 0.00 C ATOM 376 C THR A 27 -10.103 2.095 9.116 1.00 0.00 C ATOM 377 O THR A 27 -10.514 2.898 9.953 1.00 0.00 O ATOM 378 CB THR A 27 -12.310 1.358 8.184 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.959 0.824 7.043 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.178 2.473 8.725 1.00 0.00 C ATOM 0 H THR A 27 -9.628 1.191 6.284 1.00 0.00 H new ATOM 0 HA THR A 27 -10.968 2.721 7.243 1.00 0.00 H new ATOM 0 HB THR A 27 -12.191 0.602 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.865 0.539 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.171 2.084 8.950 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.731 2.874 9.635 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.258 3.265 7.981 1.00 0.00 H new ATOM 388 N VAL A 28 -8.964 1.420 9.248 1.00 0.00 N ATOM 389 CA VAL A 28 -8.097 1.568 10.398 1.00 0.00 C ATOM 390 C VAL A 28 -7.282 2.852 10.312 1.00 0.00 C ATOM 391 O VAL A 28 -7.100 3.545 11.312 1.00 0.00 O ATOM 392 CB VAL A 28 -7.146 0.369 10.498 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.938 -0.926 10.522 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.176 0.368 9.332 1.00 0.00 C ATOM 0 H VAL A 28 -8.622 0.755 8.555 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.726 1.614 11.287 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.577 0.450 11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.252 -1.770 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.606 -0.928 11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.524 -1.011 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.507 -0.488 9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.732 0.304 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.591 1.288 9.344 1.00 0.00 H new ATOM 404 N LEU A 29 -6.814 3.188 9.107 1.00 0.00 N ATOM 405 CA LEU A 29 -6.056 4.400 8.916 1.00 0.00 C ATOM 406 C LEU A 29 -6.854 5.344 8.058 1.00 0.00 C ATOM 407 O LEU A 29 -6.559 6.534 7.947 1.00 0.00 O ATOM 408 CB LEU A 29 -4.693 4.111 8.288 1.00 0.00 C ATOM 409 CG LEU A 29 -3.860 3.035 8.992 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.382 3.222 8.681 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.088 3.064 10.498 1.00 0.00 C ATOM 0 H LEU A 29 -6.952 2.634 8.262 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.868 4.860 9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.846 3.808 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.118 5.037 8.268 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.180 2.062 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.803 2.450 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.224 3.146 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.059 4.204 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.485 2.290 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.801 4.039 10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.142 2.883 10.710 1.00 0.00 H new ATOM 423 N PHE A 30 -7.881 4.780 7.463 1.00 0.00 N ATOM 424 CA PHE A 30 -8.774 5.510 6.612 1.00 0.00 C ATOM 425 C PHE A 30 -10.210 5.352 7.108 1.00 0.00 C ATOM 426 O PHE A 30 -10.440 4.891 8.225 1.00 0.00 O ATOM 427 CB PHE A 30 -8.651 4.980 5.193 1.00 0.00 C ATOM 428 CG PHE A 30 -8.839 5.919 4.174 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.096 7.248 4.363 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.669 5.417 2.976 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.187 8.050 3.273 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.736 6.154 1.927 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.999 7.496 2.027 1.00 0.00 C ATOM 0 H PHE A 30 -8.116 3.792 7.561 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.514 6.568 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.662 4.537 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.377 4.178 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.224 7.650 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.468 4.361 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.403 9.103 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.583 5.712 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.058 8.110 1.140 1.00 0.00 H new ATOM 443 N ASP A 31 -11.172 5.716 6.268 1.00 0.00 N ATOM 444 CA ASP A 31 -12.580 5.590 6.621 1.00 0.00 C ATOM 445 C ASP A 31 -13.204 4.396 5.899 1.00 0.00 C ATOM 446 O ASP A 31 -14.329 3.995 6.196 1.00 0.00 O ATOM 447 CB ASP A 31 -13.337 6.872 6.267 1.00 0.00 C ATOM 448 CG ASP A 31 -13.392 7.848 7.425 1.00 0.00 C ATOM 449 OD1 ASP A 31 -13.648 7.404 8.565 1.00 0.00 O ATOM 450 OD2 ASP A 31 -13.180 9.057 7.195 1.00 0.00 O ATOM 0 H ASP A 31 -11.002 6.100 5.339 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.652 5.427 7.696 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.856 7.351 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.352 6.619 5.960 1.00 0.00 H new ATOM 455 N LYS A 32 -12.462 3.835 4.944 1.00 0.00 N ATOM 456 CA LYS A 32 -12.931 2.690 4.175 1.00 0.00 C ATOM 457 C LYS A 32 -11.889 2.260 3.143 1.00 0.00 C ATOM 458 O LYS A 32 -12.239 1.869 2.029 1.00 0.00 O ATOM 459 CB LYS A 32 -14.263 2.996 3.470 1.00 0.00 C ATOM 460 CG LYS A 32 -14.487 4.460 3.123 1.00 0.00 C ATOM 461 CD LYS A 32 -13.371 5.003 2.250 1.00 0.00 C ATOM 462 CE LYS A 32 -12.438 5.896 3.044 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.455 7.301 2.551 1.00 0.00 N ATOM 0 H LYS A 32 -11.530 4.159 4.686 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.091 1.873 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.314 2.409 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.080 2.661 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.441 4.571 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.551 5.046 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.807 4.175 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.797 5.565 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.726 5.877 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.423 5.503 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.481 7.662 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.888 7.332 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.008 7.892 3.205 1.00 0.00 H new ATOM 477 N GLY A 33 -10.606 2.331 3.510 1.00 0.00 N ATOM 478 CA GLY A 33 -9.555 1.939 2.580 1.00 0.00 C ATOM 479 C GLY A 33 -9.753 2.597 1.213 1.00 0.00 C ATOM 480 O GLY A 33 -9.466 3.773 1.040 1.00 0.00 O ATOM 0 H GLY A 33 -10.280 2.649 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.583 2.221 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.551 0.855 2.468 1.00 0.00 H new ATOM 484 N GLY A 34 -10.267 1.834 0.246 1.00 0.00 N ATOM 485 CA GLY A 34 -10.504 2.377 -1.089 1.00 0.00 C ATOM 486 C GLY A 34 -11.409 3.598 -1.068 1.00 0.00 C ATOM 487 O GLY A 34 -12.161 3.784 -0.117 1.00 0.00 O ATOM 0 H GLY A 34 -10.523 0.853 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.550 2.644 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.952 1.607 -1.717 1.00 0.00 H new ATOM 491 N VAL A 35 -11.311 4.444 -2.105 1.00 0.00 N ATOM 492 CA VAL A 35 -12.089 5.669 -2.207 1.00 0.00 C ATOM 493 C VAL A 35 -11.346 6.577 -3.158 1.00 0.00 C ATOM 494 O VAL A 35 -10.447 6.121 -3.860 1.00 0.00 O ATOM 495 CB VAL A 35 -12.220 6.350 -0.826 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.840 6.609 -0.225 1.00 0.00 C ATOM 497 CG2 VAL A 35 -13.090 7.604 -0.858 1.00 0.00 C ATOM 0 H VAL A 35 -10.685 4.289 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.096 5.455 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.747 5.657 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.951 7.089 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.312 5.663 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.271 7.260 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.143 8.036 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.656 8.331 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.093 7.342 -1.194 1.00 0.00 H new ATOM 604 N GLY A 42 -8.039 7.603 -6.686 1.00 0.00 N ATOM 605 CA GLY A 42 -8.672 6.884 -5.613 1.00 0.00 C ATOM 606 C GLY A 42 -7.913 7.109 -4.333 1.00 0.00 C ATOM 607 O GLY A 42 -7.888 8.222 -3.808 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.704 7.217 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.704 5.820 -5.845 1.00 0.00 H new ATOM 611 N GLY A 43 -7.225 6.080 -3.867 1.00 0.00 N ATOM 612 CA GLY A 43 -6.398 6.261 -2.687 1.00 0.00 C ATOM 613 C GLY A 43 -6.747 5.441 -1.450 1.00 0.00 C ATOM 614 O GLY A 43 -7.164 6.004 -0.444 1.00 0.00 O ATOM 0 H GLY A 43 -7.220 5.143 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.367 6.035 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.431 7.315 -2.412 1.00 0.00 H new ATOM 618 N ILE A 44 -6.535 4.129 -1.502 1.00 0.00 N ATOM 619 CA ILE A 44 -6.793 3.267 -0.334 1.00 0.00 C ATOM 620 C ILE A 44 -5.790 3.503 0.783 1.00 0.00 C ATOM 621 O ILE A 44 -4.579 3.452 0.581 1.00 0.00 O ATOM 622 CB ILE A 44 -6.744 1.752 -0.645 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.246 0.939 0.551 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.325 1.297 -0.989 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.268 -0.113 0.182 1.00 0.00 C ATOM 0 H ILE A 44 -6.190 3.636 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.803 3.546 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.390 1.581 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.397 0.455 1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.684 1.618 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.327 0.228 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.971 1.841 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.664 1.498 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.578 -0.649 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.135 0.366 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.828 -0.815 -0.527 1.00 0.00 H new ATOM 637 N TYR A 45 -6.319 3.671 1.974 1.00 0.00 N ATOM 638 CA TYR A 45 -5.497 3.823 3.168 1.00 0.00 C ATOM 639 C TYR A 45 -5.899 2.759 4.164 1.00 0.00 C ATOM 640 O TYR A 45 -7.055 2.346 4.193 1.00 0.00 O ATOM 641 CB TYR A 45 -5.567 5.217 3.756 1.00 0.00 C ATOM 642 CG TYR A 45 -4.892 6.264 2.931 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.492 6.750 1.792 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.664 6.778 3.304 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.892 7.723 1.036 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.049 7.752 2.554 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.667 8.226 1.417 1.00 0.00 C ATOM 648 OH TYR A 45 -3.060 9.203 0.661 1.00 0.00 O ATOM 0 H TYR A 45 -7.323 3.707 2.149 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.450 3.689 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.614 5.492 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.115 5.204 4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.452 6.358 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.181 6.409 4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.377 8.094 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.088 8.143 2.854 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.203 9.447 1.069 1.00 0.00 H new ATOM 658 N VAL A 46 -4.937 2.212 4.895 1.00 0.00 N ATOM 659 CA VAL A 46 -5.250 1.094 5.746 1.00 0.00 C ATOM 660 C VAL A 46 -4.149 0.725 6.750 1.00 0.00 C ATOM 661 O VAL A 46 -3.118 1.388 6.817 1.00 0.00 O ATOM 662 CB VAL A 46 -5.420 -0.059 4.770 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.080 -0.631 4.402 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.393 -1.077 5.312 1.00 0.00 C ATOM 0 H VAL A 46 -3.964 2.519 4.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.120 1.329 6.359 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.860 0.305 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.216 -1.456 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.470 0.143 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.581 -0.995 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.500 -1.894 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.020 -1.469 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.362 -0.605 5.471 1.00 0.00 H new ATOM 674 N LYS A 47 -4.345 -0.405 7.463 1.00 0.00 N ATOM 675 CA LYS A 47 -3.312 -0.914 8.384 1.00 0.00 C ATOM 676 C LYS A 47 -2.443 -1.830 7.553 1.00 0.00 C ATOM 677 O LYS A 47 -1.278 -2.096 7.848 1.00 0.00 O ATOM 678 CB LYS A 47 -3.890 -1.690 9.577 1.00 0.00 C ATOM 679 CG LYS A 47 -4.431 -3.068 9.222 1.00 0.00 C ATOM 680 CD LYS A 47 -4.411 -3.997 10.426 1.00 0.00 C ATOM 681 CE LYS A 47 -4.180 -5.441 10.013 1.00 0.00 C ATOM 682 NZ LYS A 47 -4.482 -6.392 11.118 1.00 0.00 N ATOM 0 H LYS A 47 -5.192 -0.971 7.419 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.764 -0.078 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.114 -1.801 10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.691 -1.102 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.451 -2.975 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.835 -3.499 8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.626 -3.685 11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.356 -3.918 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.805 -5.676 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.144 -5.567 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.138 -7.340 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.009 -6.074 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.509 -6.427 11.275 1.00 0.00 H new ATOM 696 N ALA A 48 -3.067 -2.244 6.461 1.00 0.00 N ATOM 697 CA ALA A 48 -2.510 -3.049 5.454 1.00 0.00 C ATOM 698 C ALA A 48 -2.570 -4.527 5.795 1.00 0.00 C ATOM 699 O ALA A 48 -3.577 -4.997 6.305 1.00 0.00 O ATOM 700 CB ALA A 48 -1.157 -2.522 5.181 1.00 0.00 C ATOM 0 H ALA A 48 -4.037 -1.995 6.269 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.093 -2.996 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.684 -3.119 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.230 -1.486 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.557 -2.571 6.090 1.00 0.00 H new ATOM 706 N VAL A 49 -1.542 -5.273 5.450 1.00 0.00 N ATOM 707 CA VAL A 49 -1.565 -6.695 5.627 1.00 0.00 C ATOM 708 C VAL A 49 -1.339 -7.236 7.014 1.00 0.00 C ATOM 709 O VAL A 49 -0.457 -6.823 7.768 1.00 0.00 O ATOM 710 CB VAL A 49 -0.549 -7.323 4.718 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.064 -7.281 3.309 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.792 -6.643 4.860 1.00 0.00 C ATOM 0 H VAL A 49 -0.680 -4.909 5.044 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.597 -6.958 5.392 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.395 -8.366 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.333 -7.735 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.003 -7.832 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.232 -6.245 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.512 -7.115 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.694 -5.589 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.139 -6.734 5.889 1.00 0.00 H new ATOM 722 N ILE A 50 -2.174 -8.230 7.274 1.00 0.00 N ATOM 723 CA ILE A 50 -2.185 -8.999 8.502 1.00 0.00 C ATOM 724 C ILE A 50 -0.764 -9.324 8.953 1.00 0.00 C ATOM 725 O ILE A 50 0.176 -9.250 8.162 1.00 0.00 O ATOM 726 CB ILE A 50 -2.972 -10.320 8.261 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.842 -10.667 9.470 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.042 -11.472 7.910 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.233 -11.132 9.099 1.00 0.00 C ATOM 0 H ILE A 50 -2.887 -8.532 6.610 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.665 -8.411 9.285 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.628 -10.158 7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.349 -11.447 10.050 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.920 -9.792 10.115 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.628 -12.377 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.491 -11.231 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.340 -11.635 8.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.794 -11.361 10.005 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.744 -10.345 8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.165 -12.026 8.479 1.00 0.00 H new ATOM 741 N PRO A 51 -0.584 -9.701 10.225 1.00 0.00 N ATOM 742 CA PRO A 51 0.725 -10.047 10.756 1.00 0.00 C ATOM 743 C PRO A 51 1.153 -11.447 10.377 1.00 0.00 C ATOM 744 O PRO A 51 2.339 -11.770 10.322 1.00 0.00 O ATOM 745 CB PRO A 51 0.547 -9.941 12.278 1.00 0.00 C ATOM 746 CG PRO A 51 -0.868 -9.502 12.504 1.00 0.00 C ATOM 747 CD PRO A 51 -1.622 -9.823 11.248 1.00 0.00 C ATOM 0 HA PRO A 51 1.501 -9.392 10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.739 -10.900 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.250 -9.224 12.703 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.302 -10.019 13.360 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.913 -8.435 12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.051 -10.825 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.445 -9.128 11.078 1.00 0.00 H new ATOM 755 N GLN A 52 0.165 -12.260 10.142 1.00 0.00 N ATOM 756 CA GLN A 52 0.375 -13.659 9.783 1.00 0.00 C ATOM 757 C GLN A 52 0.447 -13.875 8.274 1.00 0.00 C ATOM 758 O GLN A 52 0.323 -15.004 7.799 1.00 0.00 O ATOM 759 CB GLN A 52 -0.723 -14.537 10.387 1.00 0.00 C ATOM 760 CG GLN A 52 -2.116 -14.200 9.883 1.00 0.00 C ATOM 761 CD GLN A 52 -3.198 -14.994 10.588 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.681 -16.003 10.071 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.586 -14.544 11.775 1.00 0.00 N ATOM 0 H GLN A 52 -0.816 -11.985 10.190 1.00 0.00 H new ATOM 0 HA GLN A 52 1.341 -13.948 10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.507 -15.581 10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.703 -14.434 11.472 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.302 -13.135 10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.168 -14.394 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.159 -13.704 12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.311 -15.038 12.296 1.00 0.00 H new ATOM 772 N GLY A 53 0.673 -12.804 7.528 1.00 0.00 N ATOM 773 CA GLY A 53 0.785 -12.927 6.085 1.00 0.00 C ATOM 774 C GLY A 53 -0.491 -12.570 5.348 1.00 0.00 C ATOM 775 O GLY A 53 -0.746 -11.404 5.065 1.00 0.00 O ATOM 0 H GLY A 53 0.781 -11.857 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.591 -12.282 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.065 -13.951 5.836 1.00 0.00 H new ATOM 779 N ALA A 54 -1.301 -13.580 5.049 1.00 0.00 N ATOM 780 CA ALA A 54 -2.563 -13.392 4.352 1.00 0.00 C ATOM 781 C ALA A 54 -2.462 -12.349 3.220 1.00 0.00 C ATOM 782 O ALA A 54 -1.827 -12.624 2.203 1.00 0.00 O ATOM 783 CB ALA A 54 -3.627 -13.073 5.368 1.00 0.00 C ATOM 0 H ALA A 54 -1.099 -14.552 5.284 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.839 -14.314 3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.582 -12.929 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.713 -13.897 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.358 -12.162 5.902 1.00 0.00 H new ATOM 789 N ALA A 55 -3.064 -11.153 3.371 1.00 0.00 N ATOM 790 CA ALA A 55 -2.975 -10.136 2.323 1.00 0.00 C ATOM 791 C ALA A 55 -1.523 -9.907 1.994 1.00 0.00 C ATOM 792 O ALA A 55 -1.137 -9.679 0.853 1.00 0.00 O ATOM 793 CB ALA A 55 -3.637 -8.841 2.749 1.00 0.00 C ATOM 0 H ALA A 55 -3.604 -10.878 4.192 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.505 -10.490 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.552 -8.108 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.690 -9.024 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.146 -8.458 3.644 1.00 0.00 H new ATOM 799 N GLU A 56 -0.737 -9.991 3.039 1.00 0.00 N ATOM 800 CA GLU A 56 0.706 -9.824 2.956 1.00 0.00 C ATOM 801 C GLU A 56 1.268 -10.833 1.952 1.00 0.00 C ATOM 802 O GLU A 56 2.224 -10.557 1.228 1.00 0.00 O ATOM 803 CB GLU A 56 1.309 -10.013 4.343 1.00 0.00 C ATOM 804 CG GLU A 56 2.657 -9.335 4.528 1.00 0.00 C ATOM 805 CD GLU A 56 3.809 -10.323 4.544 1.00 0.00 C ATOM 806 OE1 GLU A 56 4.043 -10.980 3.508 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.476 -10.439 5.594 1.00 0.00 O ATOM 0 H GLU A 56 -1.077 -10.179 3.982 1.00 0.00 H new ATOM 0 HA GLU A 56 0.961 -8.823 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.613 -9.624 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.420 -11.080 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.811 -8.615 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.652 -8.773 5.462 1.00 0.00 H new ATOM 814 N SER A 57 0.597 -11.977 1.880 1.00 0.00 N ATOM 815 CA SER A 57 0.919 -13.033 0.934 1.00 0.00 C ATOM 816 C SER A 57 0.345 -12.601 -0.392 1.00 0.00 C ATOM 817 O SER A 57 1.000 -12.675 -1.432 1.00 0.00 O ATOM 818 CB SER A 57 0.321 -14.371 1.375 1.00 0.00 C ATOM 819 OG SER A 57 0.915 -15.451 0.675 1.00 0.00 O ATOM 0 H SER A 57 -0.194 -12.197 2.485 1.00 0.00 H new ATOM 0 HA SER A 57 1.997 -13.183 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.469 -14.503 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.755 -14.368 1.199 1.00 0.00 H new ATOM 0 HG SER A 57 0.517 -16.294 0.976 1.00 0.00 H new ATOM 825 N ASP A 58 -0.862 -12.034 -0.313 1.00 0.00 N ATOM 826 CA ASP A 58 -1.505 -11.456 -1.470 1.00 0.00 C ATOM 827 C ASP A 58 -0.584 -10.361 -1.962 1.00 0.00 C ATOM 828 O ASP A 58 -0.624 -9.956 -3.124 1.00 0.00 O ATOM 829 CB ASP A 58 -2.879 -10.885 -1.100 1.00 0.00 C ATOM 830 CG ASP A 58 -3.450 -9.975 -2.163 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.290 -10.286 -3.363 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.058 -8.950 -1.793 1.00 0.00 O ATOM 0 H ASP A 58 -1.405 -11.969 0.548 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.675 -12.206 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.572 -11.708 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.796 -10.333 -0.164 1.00 0.00 H new ATOM 837 N GLY A 59 0.248 -9.878 -1.034 1.00 0.00 N ATOM 838 CA GLY A 59 1.171 -8.819 -1.364 1.00 0.00 C ATOM 839 C GLY A 59 0.446 -7.519 -1.493 1.00 0.00 C ATOM 840 O GLY A 59 0.545 -6.852 -2.511 1.00 0.00 O ATOM 0 H GLY A 59 0.292 -10.205 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.936 -8.741 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.683 -9.052 -2.298 1.00 0.00 H new ATOM 844 N ARG A 60 -0.282 -7.168 -0.442 1.00 0.00 N ATOM 845 CA ARG A 60 -1.049 -5.938 -0.410 1.00 0.00 C ATOM 846 C ARG A 60 -0.567 -5.108 0.749 1.00 0.00 C ATOM 847 O ARG A 60 -1.331 -4.742 1.642 1.00 0.00 O ATOM 848 CB ARG A 60 -2.542 -6.251 -0.276 1.00 0.00 C ATOM 849 CG ARG A 60 -3.444 -5.058 -0.551 1.00 0.00 C ATOM 850 CD ARG A 60 -4.336 -4.747 0.641 1.00 0.00 C ATOM 851 NE ARG A 60 -5.657 -5.358 0.511 1.00 0.00 N ATOM 852 CZ ARG A 60 -6.673 -4.802 -0.146 1.00 0.00 C ATOM 853 NH1 ARG A 60 -6.525 -3.625 -0.744 1.00 0.00 N ATOM 854 NH2 ARG A 60 -7.841 -5.426 -0.209 1.00 0.00 N ATOM 0 H ARG A 60 -0.355 -7.728 0.408 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.910 -5.382 -1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.799 -7.056 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.738 -6.619 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.834 -4.186 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.062 -5.262 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.859 -5.105 1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.444 -3.667 0.741 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.810 -6.266 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.628 -3.141 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.308 -3.206 -1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.961 -6.331 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.620 -5.001 -0.712 1.00 0.00 H new ATOM 868 N ILE A 61 0.730 -4.867 0.753 1.00 0.00 N ATOM 869 CA ILE A 61 1.366 -4.168 1.781 1.00 0.00 C ATOM 870 C ILE A 61 1.437 -2.684 1.568 1.00 0.00 C ATOM 871 O ILE A 61 1.694 -2.197 0.469 1.00 0.00 O ATOM 872 CB ILE A 61 2.776 -4.678 1.954 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.407 -5.186 0.646 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.779 -5.771 2.992 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.438 -4.159 -0.466 1.00 0.00 C ATOM 0 H ILE A 61 1.359 -5.172 0.010 1.00 0.00 H new ATOM 0 HA ILE A 61 0.756 -4.342 2.667 1.00 0.00 H new ATOM 0 HB ILE A 61 3.388 -3.836 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.426 -5.515 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.853 -6.060 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.794 -6.145 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.413 -5.374 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.132 -6.585 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.898 -4.596 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.421 -3.847 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.018 -3.293 -0.146 1.00 0.00 H new ATOM 887 N HIS A 62 1.257 -2.002 2.679 1.00 0.00 N ATOM 888 CA HIS A 62 1.329 -0.566 2.781 1.00 0.00 C ATOM 889 C HIS A 62 0.106 -0.039 3.506 1.00 0.00 C ATOM 890 O HIS A 62 -0.997 -0.017 2.961 1.00 0.00 O ATOM 891 CB HIS A 62 1.477 0.155 1.441 1.00 0.00 C ATOM 892 CG HIS A 62 2.908 0.359 1.043 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.703 -0.649 0.541 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.693 1.462 1.095 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.914 -0.177 0.304 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.933 1.102 0.630 1.00 0.00 N ATOM 0 H HIS A 62 1.048 -2.454 3.569 1.00 0.00 H new ATOM 0 HA HIS A 62 2.239 -0.354 3.343 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.968 -0.420 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.980 1.123 1.498 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.403 -1.610 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.398 2.442 1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.747 -0.741 -0.089 1.00 0.00 H new ATOM 905 N LYS A 63 0.312 0.386 4.734 1.00 0.00 N ATOM 906 CA LYS A 63 -0.767 0.921 5.545 1.00 0.00 C ATOM 907 C LYS A 63 -0.977 2.377 5.205 1.00 0.00 C ATOM 908 O LYS A 63 -0.124 3.212 5.509 1.00 0.00 O ATOM 909 CB LYS A 63 -0.435 0.781 7.029 1.00 0.00 C ATOM 910 CG LYS A 63 0.955 1.281 7.393 1.00 0.00 C ATOM 911 CD LYS A 63 1.921 0.129 7.620 1.00 0.00 C ATOM 912 CE LYS A 63 3.306 0.451 7.081 1.00 0.00 C ATOM 913 NZ LYS A 63 4.271 -0.655 7.333 1.00 0.00 N ATOM 0 H LYS A 63 1.221 0.372 5.197 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.679 0.361 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.174 1.332 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.521 -0.267 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.332 1.922 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.898 1.892 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.986 -0.089 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.539 -0.769 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.243 0.641 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.673 1.366 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.203 -0.396 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.350 -0.820 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.934 -1.522 6.868 1.00 0.00 H new ATOM 927 N GLY A 64 -2.093 2.702 4.560 1.00 0.00 N ATOM 928 CA GLY A 64 -2.298 4.086 4.209 1.00 0.00 C ATOM 929 C GLY A 64 -1.503 4.455 2.990 1.00 0.00 C ATOM 930 O GLY A 64 -0.277 4.512 3.027 1.00 0.00 O ATOM 0 H GLY A 64 -2.832 2.055 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.357 4.265 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.007 4.724 5.044 1.00 0.00 H new ATOM 934 N ASP A 65 -2.211 4.668 1.902 1.00 0.00 N ATOM 935 CA ASP A 65 -1.575 5.008 0.629 1.00 0.00 C ATOM 936 C ASP A 65 -2.618 5.294 -0.442 1.00 0.00 C ATOM 937 O ASP A 65 -3.800 5.416 -0.123 1.00 0.00 O ATOM 938 CB ASP A 65 -0.683 3.859 0.208 1.00 0.00 C ATOM 939 CG ASP A 65 0.782 4.245 0.171 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.131 5.183 -0.575 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.581 3.610 0.891 1.00 0.00 O ATOM 0 H ASP A 65 -3.229 4.614 1.864 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.978 5.911 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.819 3.026 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.988 3.509 -0.778 1.00 0.00 H new ATOM 946 N ARG A 66 -2.211 5.430 -1.716 1.00 0.00 N ATOM 947 CA ARG A 66 -3.213 5.718 -2.735 1.00 0.00 C ATOM 948 C ARG A 66 -3.188 4.825 -3.991 1.00 0.00 C ATOM 949 O ARG A 66 -2.326 4.943 -4.853 1.00 0.00 O ATOM 950 CB ARG A 66 -3.102 7.181 -3.163 1.00 0.00 C ATOM 951 CG ARG A 66 -3.153 8.158 -1.999 1.00 0.00 C ATOM 952 CD ARG A 66 -1.840 8.911 -1.837 1.00 0.00 C ATOM 953 NE ARG A 66 -2.005 10.348 -2.042 1.00 0.00 N ATOM 954 CZ ARG A 66 -2.076 10.923 -3.240 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.996 10.189 -4.342 1.00 0.00 N ATOM 956 NH2 ARG A 66 -2.227 12.237 -3.336 1.00 0.00 N ATOM 0 H ARG A 66 -1.249 5.349 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.164 5.497 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.167 7.323 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.911 7.411 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.963 8.870 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.378 7.617 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.439 8.731 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.110 8.525 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.070 10.946 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.879 9.178 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.051 10.636 -5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.289 12.806 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.281 12.678 -4.254 1.00 0.00 H new ATOM 970 N VAL A 67 -4.203 3.975 -4.078 1.00 0.00 N ATOM 971 CA VAL A 67 -4.455 3.080 -5.142 1.00 0.00 C ATOM 972 C VAL A 67 -5.119 3.665 -6.344 1.00 0.00 C ATOM 973 O VAL A 67 -6.060 4.452 -6.256 1.00 0.00 O ATOM 974 CB VAL A 67 -5.353 1.950 -4.699 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.481 0.807 -4.472 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.158 2.272 -3.480 1.00 0.00 C ATOM 0 H VAL A 67 -4.907 3.907 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.452 2.758 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.098 1.747 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.077 -0.046 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.961 0.556 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.751 1.054 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.780 1.416 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.488 2.501 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.794 3.134 -3.681 1.00 0.00 H new ATOM 986 N LEU A 68 -4.669 3.174 -7.472 1.00 0.00 N ATOM 987 CA LEU A 68 -5.273 3.541 -8.720 1.00 0.00 C ATOM 988 C LEU A 68 -6.478 2.629 -8.935 1.00 0.00 C ATOM 989 O LEU A 68 -7.577 3.101 -9.227 1.00 0.00 O ATOM 990 CB LEU A 68 -4.286 3.424 -9.886 1.00 0.00 C ATOM 991 CG LEU A 68 -3.828 2.005 -10.225 1.00 0.00 C ATOM 992 CD1 LEU A 68 -4.809 1.338 -11.179 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.434 2.033 -10.831 1.00 0.00 C ATOM 0 H LEU A 68 -3.889 2.521 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.583 4.585 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.746 3.860 -10.773 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.406 4.025 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.797 1.423 -9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.465 0.329 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.793 1.289 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.872 1.918 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.120 1.017 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.445 2.631 -11.742 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.736 2.472 -10.118 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.276 1.313 -8.747 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.358 0.355 -8.877 1.00 0.00 C ATOM 1007 C ALA A 69 -7.330 -0.598 -7.706 1.00 0.00 C ATOM 1008 O ALA A 69 -6.263 -0.906 -7.203 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.253 -0.401 -10.192 1.00 0.00 C ATOM 0 H ALA A 69 -5.374 0.902 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.308 0.889 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.074 -1.114 -10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.306 0.304 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.304 -0.936 -10.230 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.485 -1.087 -7.308 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.583 -2.043 -6.227 1.00 0.00 C ATOM 1017 C VAL A 70 -9.284 -3.286 -6.742 1.00 0.00 C ATOM 1018 O VAL A 70 -10.180 -3.199 -7.579 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.337 -1.461 -5.033 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.765 -1.228 -5.436 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.243 -2.383 -3.828 1.00 0.00 C ATOM 0 H VAL A 70 -9.381 -0.833 -7.724 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.580 -2.295 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.887 -0.513 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.318 -0.812 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.798 -0.529 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.217 -2.173 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.788 -1.945 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.676 -3.352 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.197 -2.514 -3.551 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.858 -4.437 -6.267 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.421 -5.708 -6.712 1.00 0.00 C ATOM 1033 C ASN A 71 -9.504 -5.761 -8.233 1.00 0.00 C ATOM 1034 O ASN A 71 -10.235 -6.574 -8.799 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.807 -5.885 -6.140 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.421 -7.230 -6.479 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.714 -8.183 -6.810 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.744 -7.313 -6.400 1.00 0.00 N ATOM 0 H ASN A 71 -8.120 -4.526 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.768 -6.508 -6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.764 -5.774 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.453 -5.092 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.214 -8.192 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.290 -6.498 -6.121 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.766 -4.876 -8.890 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.799 -4.839 -10.341 1.00 0.00 C ATOM 1047 C GLY A 72 -9.671 -3.719 -10.859 1.00 0.00 C ATOM 1048 O GLY A 72 -9.504 -3.270 -11.992 1.00 0.00 O ATOM 0 H GLY A 72 -8.151 -4.190 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.786 -4.716 -10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.169 -5.792 -10.720 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.581 -3.240 -10.017 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.443 -2.140 -10.398 1.00 0.00 C ATOM 1054 C VAL A 73 -10.723 -0.850 -10.085 1.00 0.00 C ATOM 1055 O VAL A 73 -10.041 -0.758 -9.079 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.818 -2.153 -9.663 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.618 -0.886 -9.958 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.612 -3.393 -10.051 1.00 0.00 C ATOM 0 H VAL A 73 -10.736 -3.597 -9.074 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.658 -2.238 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.627 -2.181 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.571 -0.926 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.055 -0.014 -9.624 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.799 -0.812 -11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.570 -3.389 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.784 -3.393 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.052 -4.286 -9.773 1.00 0.00 H new ATOM 1068 N SER A 74 -10.875 0.151 -10.920 1.00 0.00 N ATOM 1069 CA SER A 74 -10.219 1.413 -10.654 1.00 0.00 C ATOM 1070 C SER A 74 -11.045 2.124 -9.610 1.00 0.00 C ATOM 1071 O SER A 74 -12.213 2.430 -9.854 1.00 0.00 O ATOM 1072 CB SER A 74 -10.119 2.256 -11.927 1.00 0.00 C ATOM 1073 OG SER A 74 -11.381 2.380 -12.558 1.00 0.00 O ATOM 0 H SER A 74 -11.434 0.121 -11.772 1.00 0.00 H new ATOM 0 HA SER A 74 -9.201 1.250 -10.301 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.733 3.245 -11.682 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.409 1.798 -12.615 1.00 0.00 H new ATOM 0 HG SER A 74 -12.088 2.373 -11.880 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.471 2.381 -8.431 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.220 3.026 -7.422 1.00 0.00 C ATOM 1081 C LEU A 75 -10.895 4.474 -7.488 1.00 0.00 C ATOM 1082 O LEU A 75 -10.138 5.002 -6.689 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.879 2.468 -6.048 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.425 2.667 -5.647 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.306 2.874 -4.146 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.583 1.488 -6.092 1.00 0.00 C ATOM 0 H LEU A 75 -9.510 2.147 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.286 2.860 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.519 2.943 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.108 1.402 -6.032 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.052 3.562 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.258 3.014 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.876 3.756 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.698 2.000 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.546 1.649 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.957 0.577 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.640 1.389 -7.176 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.483 5.117 -8.446 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.251 6.511 -8.615 1.00 0.00 C ATOM 1100 C GLU A 76 -12.350 7.277 -7.900 1.00 0.00 C ATOM 1101 O GLU A 76 -12.828 8.306 -8.377 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.203 6.887 -10.097 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.268 6.012 -10.916 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.638 6.758 -12.075 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -8.918 7.748 -11.824 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -9.864 6.353 -13.235 1.00 0.00 O ATOM 0 H GLU A 76 -12.125 4.699 -9.120 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.283 6.770 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.208 6.820 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.889 7.927 -10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.482 5.622 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.821 5.154 -11.298 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.779 6.725 -6.765 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.847 7.309 -6.009 1.00 0.00 C ATOM 1115 C GLY A 77 -15.118 6.524 -6.214 1.00 0.00 C ATOM 1116 O GLY A 77 -16.224 7.040 -6.048 1.00 0.00 O ATOM 0 H GLY A 77 -12.391 5.872 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.587 7.325 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.996 8.344 -6.316 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.941 5.258 -6.582 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.051 4.361 -6.825 1.00 0.00 C ATOM 1122 C ALA A 78 -16.451 3.665 -5.549 1.00 0.00 C ATOM 1123 O ALA A 78 -17.629 3.672 -5.195 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.686 3.344 -7.895 1.00 0.00 C ATOM 0 H ALA A 78 -14.024 4.832 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.899 4.946 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.531 2.677 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.440 3.863 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.825 2.762 -7.565 1.00 0.00 H new ATOM 1130 N THR A 79 -15.481 3.050 -4.854 1.00 0.00 N ATOM 1131 CA THR A 79 -15.769 2.348 -3.635 1.00 0.00 C ATOM 1132 C THR A 79 -17.186 1.961 -3.559 1.00 0.00 C ATOM 1133 O THR A 79 -17.563 0.964 -4.156 1.00 0.00 O ATOM 1134 CB THR A 79 -15.368 3.132 -2.412 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.236 4.516 -2.682 1.00 0.00 O ATOM 1136 CG2 THR A 79 -14.092 2.622 -1.923 1.00 0.00 C ATOM 0 H THR A 79 -14.499 3.036 -5.131 1.00 0.00 H new ATOM 0 HA THR A 79 -15.165 1.441 -3.652 1.00 0.00 H new ATOM 0 HB THR A 79 -16.153 3.012 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.135 5.006 -1.839 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.792 3.182 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.196 1.567 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.334 2.735 -2.698 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.955 2.738 -2.809 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.357 2.448 -2.639 1.00 0.00 C ATOM 1146 C HIS A 80 -19.600 0.995 -3.027 1.00 0.00 C ATOM 1147 O HIS A 80 -19.646 0.115 -2.169 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.196 3.448 -3.443 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.523 2.935 -3.872 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.846 2.239 -4.961 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.693 3.128 -3.171 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.199 2.010 -4.925 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.689 2.559 -3.828 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.627 3.568 -2.314 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.665 2.564 -1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.345 4.345 -2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.633 3.747 -4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.782 3.659 -2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.767 1.471 -5.669 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.667 2.546 -3.538 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.702 0.736 -4.314 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.853 -0.626 -4.784 1.00 0.00 C ATOM 1164 C LYS A 81 -18.523 -1.397 -4.928 1.00 0.00 C ATOM 1165 O LYS A 81 -18.305 -2.443 -4.323 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.587 -0.630 -6.125 1.00 0.00 C ATOM 1167 CG LYS A 81 -20.962 -2.021 -6.609 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.385 -2.383 -6.217 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.894 -3.579 -7.006 1.00 0.00 C ATOM 1170 NZ LYS A 81 -22.866 -3.329 -8.474 1.00 0.00 N ATOM 0 H LYS A 81 -19.683 1.444 -5.048 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.429 -1.146 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.492 -0.029 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.958 -0.150 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.859 -2.070 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.271 -2.752 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.424 -2.606 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.039 -1.528 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.284 -4.452 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.913 -3.811 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.752 -3.667 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.763 -2.309 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.063 -3.836 -8.897 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.670 -0.865 -5.814 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.402 -1.512 -6.209 1.00 0.00 C ATOM 1186 C GLN A 82 -15.269 -1.551 -5.219 1.00 0.00 C ATOM 1187 O GLN A 82 -14.708 -2.616 -4.984 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.841 -0.801 -7.449 1.00 0.00 C ATOM 1189 CG GLN A 82 -16.899 -0.400 -8.460 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.326 0.339 -9.653 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.408 1.147 -9.515 1.00 0.00 O ATOM 1192 NE2 GLN A 82 -16.867 0.065 -10.834 1.00 0.00 N ATOM 0 H GLN A 82 -17.836 0.027 -6.280 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.710 -2.548 -6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.300 0.090 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.118 -1.456 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.419 -1.293 -8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.641 0.231 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.627 -0.612 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.523 0.532 -11.673 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.861 -0.408 -4.715 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.685 -0.407 -3.837 1.00 0.00 C ATOM 1203 C ALA A 83 -13.950 -0.909 -2.458 1.00 0.00 C ATOM 1204 O ALA A 83 -13.231 -1.760 -1.934 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.933 0.919 -3.855 1.00 0.00 C ATOM 0 H ALA A 83 -15.294 0.501 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.012 -1.145 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.074 0.859 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.591 1.130 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.596 1.718 -3.523 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.982 -0.415 -1.885 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.343 -0.832 -0.564 1.00 0.00 C ATOM 1213 C VAL A 84 -15.699 -2.301 -0.583 1.00 0.00 C ATOM 1214 O VAL A 84 -15.344 -3.065 0.316 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.512 -0.012 0.004 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.348 0.555 -1.113 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.375 -0.858 0.920 1.00 0.00 C ATOM 0 H VAL A 84 -15.600 0.281 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.486 -0.663 0.088 1.00 0.00 H new ATOM 0 HB VAL A 84 -16.094 0.809 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -18.172 1.133 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.731 1.202 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.747 -0.259 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.195 -0.254 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.779 -1.702 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.772 -1.227 1.750 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.872 -11.592 -1.376 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.578 -12.976 -1.060 1.00 0.00 C ATOM 1329 C GLY A 91 -9.989 -13.937 -2.162 1.00 0.00 C ATOM 1330 O GLY A 91 -9.136 -14.614 -2.737 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.509 -13.081 -0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.091 -13.249 -0.138 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.295 -14.002 -2.466 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.797 -14.894 -3.523 1.00 0.00 C ATOM 1336 C GLN A 92 -10.778 -14.975 -4.650 1.00 0.00 C ATOM 1337 O GLN A 92 -10.490 -16.043 -5.187 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.138 -14.389 -4.059 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.063 -13.001 -4.674 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.423 -12.467 -5.075 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.356 -13.232 -5.321 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.544 -11.146 -5.146 1.00 0.00 N ATOM 0 H GLN A 92 -12.017 -13.453 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.948 -15.889 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.508 -15.090 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.864 -14.379 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.604 -12.316 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.416 -13.030 -5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.745 -10.549 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.436 -10.729 -5.413 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.215 -13.819 -4.959 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.225 -13.642 -5.922 1.00 0.00 C ATOM 1353 C VAL A 93 -9.036 -12.162 -6.067 1.00 0.00 C ATOM 1354 O VAL A 93 -9.935 -11.447 -6.513 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.547 -14.301 -7.233 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.441 -13.442 -8.120 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.220 -14.578 -7.838 1.00 0.00 C ATOM 0 H VAL A 93 -10.476 -12.948 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.303 -14.128 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.130 -15.213 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.641 -13.968 -9.053 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.382 -13.245 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.941 -12.498 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.355 -15.062 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.679 -13.641 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.650 -15.234 -7.180 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.918 -11.685 -5.583 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.696 -10.290 -5.560 1.00 0.00 C ATOM 1369 C VAL A 94 -6.524 -9.855 -6.394 1.00 0.00 C ATOM 1370 O VAL A 94 -5.432 -10.419 -6.359 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.459 -9.833 -4.148 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.037 -9.372 -4.076 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.442 -8.739 -3.728 1.00 0.00 C ATOM 0 H VAL A 94 -7.159 -12.252 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.593 -9.837 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.629 -10.650 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.816 -9.029 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.373 -10.198 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.884 -8.553 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.235 -8.438 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.332 -7.878 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.461 -9.120 -3.796 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.786 -8.805 -7.082 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.800 -8.132 -7.906 1.00 0.00 C ATOM 1385 C HIS A 95 -5.848 -6.631 -7.680 1.00 0.00 C ATOM 1386 O HIS A 95 -6.866 -6.004 -7.943 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.996 -8.529 -9.345 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.634 -9.957 -9.494 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.401 -10.971 -9.002 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.512 -10.535 -9.937 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.742 -12.098 -9.139 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.610 -11.861 -9.715 1.00 0.00 N ATOM 0 H HIS A 95 -7.706 -8.365 -7.101 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.795 -8.443 -7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.032 -8.368 -9.644 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.377 -7.912 -9.996 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.674 -10.028 -10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.091 -13.069 -8.821 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.909 -12.560 -9.960 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.780 -6.055 -7.149 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.768 -4.672 -6.859 1.00 0.00 C ATOM 1403 C LEU A 96 -3.628 -3.893 -7.401 1.00 0.00 C ATOM 1404 O LEU A 96 -2.490 -4.284 -7.287 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.755 -4.476 -5.371 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.900 -3.655 -5.001 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.397 -3.963 -3.595 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.596 -2.176 -5.205 1.00 0.00 C ATOM 0 H LEU A 96 -3.917 -6.547 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.665 -4.295 -7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.800 -5.439 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.828 -3.994 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.722 -3.911 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.251 -3.327 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.697 -5.009 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.599 -3.774 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.466 -1.583 -4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.745 -1.891 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.359 -1.995 -6.253 1.00 0.00 H new ATOM 1420 N LEU A 97 -3.965 -2.722 -7.889 1.00 0.00 N ATOM 1421 CA LEU A 97 -2.973 -1.790 -8.347 1.00 0.00 C ATOM 1422 C LEU A 97 -2.979 -0.569 -7.435 1.00 0.00 C ATOM 1423 O LEU A 97 -3.953 0.181 -7.386 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.250 -1.376 -9.782 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.729 -2.368 -10.798 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.178 -1.993 -12.203 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.213 -2.441 -10.706 1.00 0.00 C ATOM 0 H LEU A 97 -4.927 -2.395 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.992 -2.265 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.325 -1.257 -9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.795 -0.403 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.141 -3.353 -10.578 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.791 -2.721 -12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.267 -1.986 -12.247 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.798 -1.003 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.838 -3.156 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.788 -1.458 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.924 -2.762 -9.705 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.887 -0.399 -6.706 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.732 0.707 -5.757 1.00 0.00 C ATOM 1441 C LEU A 98 -0.739 1.746 -6.235 1.00 0.00 C ATOM 1442 O LEU A 98 0.197 1.443 -6.974 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.280 0.149 -4.415 1.00 0.00 C ATOM 1444 CG LEU A 98 0.105 0.585 -3.924 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.008 1.875 -3.119 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.696 -0.546 -3.113 1.00 0.00 C ATOM 0 H LEU A 98 -1.080 -1.021 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.698 1.203 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.014 0.435 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.293 -0.939 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 98 0.767 0.795 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.981 2.177 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.429 2.660 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.657 1.712 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.684 -0.258 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.048 -0.762 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.783 -1.435 -3.738 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.935 2.968 -5.767 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.031 4.059 -6.111 1.00 0.00 C ATOM 1460 C GLU A 99 0.484 4.775 -4.868 1.00 0.00 C ATOM 1461 O GLU A 99 -0.267 5.409 -4.129 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.684 5.061 -7.059 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.521 4.415 -8.149 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.069 4.810 -9.542 1.00 0.00 C ATOM 1465 OE1 GLU A 99 0.059 4.437 -9.928 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.843 5.492 -10.246 1.00 0.00 O ATOM 0 H GLU A 99 -1.705 3.231 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 99 0.817 3.607 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.315 5.736 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.093 5.669 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.469 3.331 -8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.565 4.698 -8.016 1.00 0.00 H new