USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 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 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.56! C(o=-3.6!,f=-3.6!) USER MOD Single : A 21 SER OG : rot -51:sc= -1.5! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -58:sc= 0.801 USER MOD Single : A 32 LYS NZ :NH3+ 134:sc= -0.24 (180deg=-1.47) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.763 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -0.222 (180deg=-0.795) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.659 K(o=-0.66,f=-3.5!) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.0643 (180deg=-0.356) USER MOD Single : A 71 ASN : amide:sc= -0.791 X(o=-0.79,f=-0.79) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00438 USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.215 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.67 F(o=-4.9!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -6.45! C(o=-6.5!,f=-11!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -9.94! C(o=-9.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.568 0.756 -3.200 1.00 0.00 N ATOM 97 CA GLY A 8 7.160 2.077 -3.073 1.00 0.00 C ATOM 98 C GLY A 8 6.810 2.945 -4.263 1.00 0.00 C ATOM 99 O GLY A 8 7.545 3.866 -4.617 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.808 2.551 -2.157 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.243 1.988 -2.990 1.00 0.00 H new ATOM 103 N ASP A 9 5.686 2.618 -4.892 1.00 0.00 N ATOM 104 CA ASP A 9 5.201 3.309 -6.064 1.00 0.00 C ATOM 105 C ASP A 9 3.992 2.556 -6.551 1.00 0.00 C ATOM 106 O ASP A 9 3.161 2.117 -5.754 1.00 0.00 O ATOM 107 CB ASP A 9 6.290 3.359 -7.127 1.00 0.00 C ATOM 108 CG ASP A 9 6.482 4.751 -7.696 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.477 5.370 -8.106 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.639 5.222 -7.733 1.00 0.00 O ATOM 0 H ASP A 9 5.083 1.853 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 9 4.931 4.340 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.230 3.013 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.037 2.672 -7.934 1.00 0.00 H new ATOM 115 N ILE A 10 3.893 2.392 -7.833 1.00 0.00 N ATOM 116 CA ILE A 10 2.783 1.674 -8.387 1.00 0.00 C ATOM 117 C ILE A 10 3.024 0.167 -8.244 1.00 0.00 C ATOM 118 O ILE A 10 3.759 -0.455 -9.009 1.00 0.00 O ATOM 119 CB ILE A 10 2.618 2.079 -9.865 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.152 1.978 -10.286 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.508 1.255 -10.790 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.551 0.612 -10.031 1.00 0.00 C ATOM 0 H ILE A 10 4.564 2.744 -8.516 1.00 0.00 H new ATOM 0 HA ILE A 10 1.865 1.918 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 10 2.939 3.117 -9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.574 2.729 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.068 2.212 -11.347 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.357 1.576 -11.821 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.552 1.400 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.251 0.200 -10.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.491 0.607 -10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.107 -0.140 -10.591 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.604 0.384 -8.966 1.00 0.00 H new ATOM 134 N PHE A 11 2.380 -0.401 -7.233 1.00 0.00 N ATOM 135 CA PHE A 11 2.479 -1.823 -6.935 1.00 0.00 C ATOM 136 C PHE A 11 1.107 -2.485 -7.036 1.00 0.00 C ATOM 137 O PHE A 11 0.119 -1.905 -6.605 1.00 0.00 O ATOM 138 CB PHE A 11 3.091 -2.018 -5.543 1.00 0.00 C ATOM 139 CG PHE A 11 2.914 -3.388 -4.988 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.265 -4.499 -5.730 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.394 -3.561 -3.720 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.098 -5.763 -5.214 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.224 -4.820 -3.202 1.00 0.00 C ATOM 144 CZ PHE A 11 2.576 -5.921 -3.949 1.00 0.00 C ATOM 0 H PHE A 11 1.773 0.113 -6.595 1.00 0.00 H new ATOM 0 HA PHE A 11 3.131 -2.300 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.156 -1.792 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.643 -1.299 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.673 -4.374 -6.722 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.119 -2.698 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.375 -6.628 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.815 -4.947 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.443 -6.912 -3.542 1.00 0.00 H new ATOM 154 N GLU A 12 1.039 -3.702 -7.562 1.00 0.00 N ATOM 155 CA GLU A 12 -0.225 -4.403 -7.663 1.00 0.00 C ATOM 156 C GLU A 12 -0.195 -5.665 -6.803 1.00 0.00 C ATOM 157 O GLU A 12 0.880 -6.224 -6.597 1.00 0.00 O ATOM 158 CB GLU A 12 -0.570 -4.715 -9.129 1.00 0.00 C ATOM 159 CG GLU A 12 -0.509 -6.193 -9.494 1.00 0.00 C ATOM 160 CD GLU A 12 -0.643 -6.431 -10.985 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.601 -5.900 -11.587 1.00 0.00 O ATOM 162 OE2 GLU A 12 0.208 -7.149 -11.551 1.00 0.00 O ATOM 0 H GLU A 12 1.842 -4.218 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.016 -3.757 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.573 -4.343 -9.340 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.116 -4.166 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.436 -6.611 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.304 -6.726 -8.972 1.00 0.00 H new ATOM 169 N VAL A 13 -1.345 -6.129 -6.273 1.00 0.00 N ATOM 170 CA VAL A 13 -1.308 -7.303 -5.446 1.00 0.00 C ATOM 171 C VAL A 13 -2.282 -8.335 -5.957 1.00 0.00 C ATOM 172 O VAL A 13 -3.499 -8.165 -5.881 1.00 0.00 O ATOM 173 CB VAL A 13 -1.633 -6.921 -3.988 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.076 -5.540 -3.670 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.129 -6.957 -3.719 1.00 0.00 C ATOM 0 H VAL A 13 -2.266 -5.713 -6.408 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.308 -7.735 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.161 -7.658 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.312 -5.281 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.006 -5.544 -3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.522 -4.805 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.319 -6.682 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.634 -6.252 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.508 -7.962 -3.903 1.00 0.00 H new ATOM 185 N GLU A 14 -1.741 -9.402 -6.499 1.00 0.00 N ATOM 186 CA GLU A 14 -2.561 -10.441 -7.032 1.00 0.00 C ATOM 187 C GLU A 14 -2.397 -11.777 -6.305 1.00 0.00 C ATOM 188 O GLU A 14 -1.295 -12.316 -6.216 1.00 0.00 O ATOM 189 CB GLU A 14 -2.243 -10.650 -8.483 1.00 0.00 C ATOM 190 CG GLU A 14 -0.916 -11.339 -8.758 1.00 0.00 C ATOM 191 CD GLU A 14 0.282 -10.458 -8.458 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.576 -9.557 -9.271 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.928 -10.672 -7.410 1.00 0.00 O ATOM 0 H GLU A 14 -0.737 -9.564 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.591 -10.113 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.041 -11.240 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.242 -9.681 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.852 -12.246 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.882 -11.646 -9.803 1.00 0.00 H new ATOM 200 N LEU A 15 -3.507 -12.327 -5.884 1.00 0.00 N ATOM 201 CA LEU A 15 -3.575 -13.643 -5.248 1.00 0.00 C ATOM 202 C LEU A 15 -4.860 -14.339 -5.658 1.00 0.00 C ATOM 203 O LEU A 15 -5.883 -13.691 -5.868 1.00 0.00 O ATOM 204 CB LEU A 15 -3.488 -13.572 -3.719 1.00 0.00 C ATOM 205 CG LEU A 15 -2.183 -14.123 -3.159 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.114 -15.633 -3.345 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.030 -13.435 -3.858 1.00 0.00 C ATOM 0 H LEU A 15 -4.416 -11.872 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.709 -14.210 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.600 -12.534 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.322 -14.127 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.127 -13.926 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.174 -16.007 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.948 -16.102 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.170 -15.872 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.087 -13.819 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.086 -13.629 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.086 -12.361 -3.681 1.00 0.00 H new ATOM 219 N ALA A 16 -4.809 -15.656 -5.756 1.00 0.00 N ATOM 220 CA ALA A 16 -5.970 -16.428 -6.122 1.00 0.00 C ATOM 221 C ALA A 16 -6.431 -17.190 -4.907 1.00 0.00 C ATOM 222 O ALA A 16 -5.648 -17.940 -4.330 1.00 0.00 O ATOM 223 CB ALA A 16 -5.616 -17.373 -7.252 1.00 0.00 C ATOM 0 H ALA A 16 -3.969 -16.209 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.773 -15.777 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.495 -17.956 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.277 -16.799 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.821 -18.045 -6.929 1.00 0.00 H new ATOM 229 N LYS A 17 -7.679 -16.983 -4.491 1.00 0.00 N ATOM 230 CA LYS A 17 -8.175 -17.668 -3.297 1.00 0.00 C ATOM 231 C LYS A 17 -7.661 -19.097 -3.253 1.00 0.00 C ATOM 232 O LYS A 17 -8.266 -20.012 -3.810 1.00 0.00 O ATOM 233 CB LYS A 17 -9.695 -17.674 -3.210 1.00 0.00 C ATOM 234 CG LYS A 17 -10.193 -18.487 -2.029 1.00 0.00 C ATOM 235 CD LYS A 17 -11.014 -19.686 -2.479 1.00 0.00 C ATOM 236 CE LYS A 17 -10.871 -20.851 -1.514 1.00 0.00 C ATOM 237 NZ LYS A 17 -11.527 -22.085 -2.030 1.00 0.00 N ATOM 0 H LYS A 17 -8.350 -16.365 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.798 -17.109 -2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.057 -16.650 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.109 -18.082 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.343 -18.829 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.798 -17.854 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.064 -19.402 -2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.694 -19.995 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.814 -21.049 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.309 -20.582 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.406 -22.856 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.541 -21.905 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.092 -22.357 -2.935 1.00 0.00 H new ATOM 251 N ASN A 18 -6.525 -19.264 -2.604 1.00 0.00 N ATOM 252 CA ASN A 18 -5.898 -20.585 -2.503 1.00 0.00 C ATOM 253 C ASN A 18 -5.405 -20.872 -1.092 1.00 0.00 C ATOM 254 O ASN A 18 -5.822 -21.845 -0.462 1.00 0.00 O ATOM 255 CB ASN A 18 -4.734 -20.691 -3.490 1.00 0.00 C ATOM 256 CG ASN A 18 -4.444 -22.124 -3.889 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.956 -22.616 -4.895 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.620 -22.803 -3.100 1.00 0.00 N ATOM 0 H ASN A 18 -6.014 -18.513 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.657 -21.328 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.963 -20.108 -4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.841 -20.253 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.389 -23.772 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.218 -22.355 -2.276 1.00 0.00 H new ATOM 265 N ASP A 19 -4.528 -20.014 -0.597 1.00 0.00 N ATOM 266 CA ASP A 19 -3.985 -20.159 0.747 1.00 0.00 C ATOM 267 C ASP A 19 -4.268 -18.897 1.516 1.00 0.00 C ATOM 268 O ASP A 19 -4.593 -18.912 2.703 1.00 0.00 O ATOM 269 CB ASP A 19 -2.481 -20.439 0.704 1.00 0.00 C ATOM 270 CG ASP A 19 -2.168 -21.922 0.743 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.907 -22.667 1.421 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.184 -22.338 0.096 1.00 0.00 O ATOM 0 H ASP A 19 -4.174 -19.205 -1.108 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.459 -21.007 1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.059 -20.005 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.998 -19.946 1.548 1.00 0.00 H new ATOM 277 N ASN A 20 -4.183 -17.815 0.783 1.00 0.00 N ATOM 278 CA ASN A 20 -4.459 -16.499 1.281 1.00 0.00 C ATOM 279 C ASN A 20 -4.582 -15.574 0.098 1.00 0.00 C ATOM 280 O ASN A 20 -4.023 -15.845 -0.966 1.00 0.00 O ATOM 281 CB ASN A 20 -3.371 -15.997 2.226 1.00 0.00 C ATOM 282 CG ASN A 20 -3.391 -16.705 3.567 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.372 -16.629 4.308 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.305 -17.400 3.886 1.00 0.00 N ATOM 0 H ASN A 20 -3.913 -17.830 -0.200 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.384 -16.527 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.396 -16.138 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.497 -14.926 2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.261 -17.898 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.515 -17.436 3.242 1.00 0.00 H new ATOM 291 N SER A 21 -5.311 -14.497 0.260 1.00 0.00 N ATOM 292 CA SER A 21 -5.486 -13.573 -0.834 1.00 0.00 C ATOM 293 C SER A 21 -6.089 -12.293 -0.288 1.00 0.00 C ATOM 294 O SER A 21 -6.911 -11.632 -0.922 1.00 0.00 O ATOM 295 CB SER A 21 -6.375 -14.224 -1.903 1.00 0.00 C ATOM 296 OG SER A 21 -6.331 -13.501 -3.121 1.00 0.00 O ATOM 0 H SER A 21 -5.787 -14.241 1.125 1.00 0.00 H new ATOM 0 HA SER A 21 -4.534 -13.327 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.049 -15.250 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.403 -14.273 -1.544 1.00 0.00 H new ATOM 0 HG SER A 21 -6.505 -12.553 -2.945 1.00 0.00 H new ATOM 302 N LEU A 22 -5.673 -11.994 0.935 1.00 0.00 N ATOM 303 CA LEU A 22 -6.142 -10.848 1.684 1.00 0.00 C ATOM 304 C LEU A 22 -5.682 -10.998 3.121 1.00 0.00 C ATOM 305 O LEU A 22 -5.110 -12.018 3.481 1.00 0.00 O ATOM 306 CB LEU A 22 -7.648 -10.854 1.765 1.00 0.00 C ATOM 307 CG LEU A 22 -8.088 -11.501 3.075 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.988 -10.565 3.869 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.771 -12.838 2.825 1.00 0.00 C ATOM 0 H LEU A 22 -4.987 -12.555 1.439 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.768 -9.947 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.029 -9.835 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.065 -11.401 0.920 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.195 -11.692 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.288 -11.050 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.447 -9.647 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.875 -10.327 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.074 -13.276 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.651 -12.686 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.079 -13.511 2.320 1.00 0.00 H new ATOM 321 N GLY A 23 -6.012 -10.024 3.953 1.00 0.00 N ATOM 322 CA GLY A 23 -5.683 -10.102 5.359 1.00 0.00 C ATOM 323 C GLY A 23 -5.375 -8.748 5.907 1.00 0.00 C ATOM 324 O GLY A 23 -4.470 -8.574 6.708 1.00 0.00 O ATOM 0 H GLY A 23 -6.505 -9.175 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.516 -10.541 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.826 -10.760 5.501 1.00 0.00 H new ATOM 328 N ILE A 24 -6.122 -7.772 5.449 1.00 0.00 N ATOM 329 CA ILE A 24 -5.896 -6.410 5.879 1.00 0.00 C ATOM 330 C ILE A 24 -7.100 -5.806 6.567 1.00 0.00 C ATOM 331 O ILE A 24 -8.246 -6.108 6.236 1.00 0.00 O ATOM 332 CB ILE A 24 -5.475 -5.521 4.695 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.644 -5.312 3.719 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.271 -6.148 3.975 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.017 -6.543 2.919 1.00 0.00 C ATOM 0 H ILE A 24 -6.886 -7.892 4.784 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.087 -6.452 6.608 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.187 -4.543 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.517 -4.981 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.386 -4.509 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.977 -5.515 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.437 -6.239 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.543 -7.136 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.850 -6.308 2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.161 -6.865 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.309 -7.344 3.598 1.00 0.00 H new ATOM 347 N SER A 25 -6.821 -4.920 7.513 1.00 0.00 N ATOM 348 CA SER A 25 -7.852 -4.239 8.235 1.00 0.00 C ATOM 349 C SER A 25 -8.039 -2.866 7.623 1.00 0.00 C ATOM 350 O SER A 25 -7.129 -2.037 7.645 1.00 0.00 O ATOM 351 CB SER A 25 -7.519 -4.140 9.725 1.00 0.00 C ATOM 352 OG SER A 25 -8.698 -4.047 10.505 1.00 0.00 O ATOM 0 H SER A 25 -5.874 -4.664 7.790 1.00 0.00 H new ATOM 0 HA SER A 25 -8.781 -4.804 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.944 -5.014 10.031 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.891 -3.267 9.903 1.00 0.00 H new ATOM 0 HG SER A 25 -8.459 -3.987 11.453 1.00 0.00 H new ATOM 358 N VAL A 26 -9.202 -2.640 7.040 1.00 0.00 N ATOM 359 CA VAL A 26 -9.469 -1.378 6.381 1.00 0.00 C ATOM 360 C VAL A 26 -10.296 -0.453 7.265 1.00 0.00 C ATOM 361 O VAL A 26 -10.955 -0.900 8.202 1.00 0.00 O ATOM 362 CB VAL A 26 -10.190 -1.595 5.038 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.552 -2.239 5.250 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.325 -0.283 4.286 1.00 0.00 C ATOM 0 H VAL A 26 -9.971 -3.310 7.010 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.505 -0.906 6.191 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.588 -2.274 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.041 -2.382 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.426 -3.205 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.167 -1.593 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.837 -0.457 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.900 0.422 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.335 0.129 4.092 1.00 0.00 H new ATOM 374 N THR A 27 -10.214 0.846 6.978 1.00 0.00 N ATOM 375 CA THR A 27 -10.908 1.873 7.757 1.00 0.00 C ATOM 376 C THR A 27 -10.120 2.167 9.030 1.00 0.00 C ATOM 377 O THR A 27 -10.514 3.001 9.844 1.00 0.00 O ATOM 378 CB THR A 27 -12.343 1.457 8.111 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.365 0.631 9.261 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.056 0.720 6.998 1.00 0.00 C ATOM 0 H THR A 27 -9.666 1.216 6.201 1.00 0.00 H new ATOM 0 HA THR A 27 -10.972 2.771 7.143 1.00 0.00 H new ATOM 0 HB THR A 27 -12.868 2.395 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.813 -0.163 9.104 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.064 0.459 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.112 1.359 6.116 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.507 -0.189 6.753 1.00 0.00 H new ATOM 388 N VAL A 28 -8.998 1.468 9.183 1.00 0.00 N ATOM 389 CA VAL A 28 -8.131 1.624 10.331 1.00 0.00 C ATOM 390 C VAL A 28 -7.316 2.907 10.233 1.00 0.00 C ATOM 391 O VAL A 28 -7.134 3.610 11.226 1.00 0.00 O ATOM 392 CB VAL A 28 -7.183 0.425 10.438 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.980 -0.868 10.473 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.216 0.413 9.270 1.00 0.00 C ATOM 0 H VAL A 28 -8.670 0.777 8.508 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.758 1.678 11.221 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.611 0.511 11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.297 -1.714 10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.647 -0.861 11.335 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.568 -0.958 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.549 -0.444 9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.774 0.343 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.629 1.332 9.274 1.00 0.00 H new ATOM 404 N LEU A 29 -6.847 3.228 9.025 1.00 0.00 N ATOM 405 CA LEU A 29 -6.089 4.438 8.820 1.00 0.00 C ATOM 406 C LEU A 29 -6.884 5.368 7.943 1.00 0.00 C ATOM 407 O LEU A 29 -6.585 6.555 7.811 1.00 0.00 O ATOM 408 CB LEU A 29 -4.724 4.141 8.200 1.00 0.00 C ATOM 409 CG LEU A 29 -3.893 3.073 8.919 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.414 3.261 8.616 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.130 3.115 10.424 1.00 0.00 C ATOM 0 H LEU A 29 -6.984 2.663 8.187 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.906 4.912 9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.874 3.826 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.148 5.066 8.171 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.209 2.097 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.836 2.495 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.249 3.176 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.096 4.247 8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.528 2.347 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.847 4.095 10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.185 2.934 10.631 1.00 0.00 H new ATOM 423 N PHE A 30 -7.912 4.796 7.358 1.00 0.00 N ATOM 424 CA PHE A 30 -8.802 5.511 6.492 1.00 0.00 C ATOM 425 C PHE A 30 -10.244 5.329 6.960 1.00 0.00 C ATOM 426 O PHE A 30 -10.489 4.888 8.082 1.00 0.00 O ATOM 427 CB PHE A 30 -8.645 4.985 5.076 1.00 0.00 C ATOM 428 CG PHE A 30 -8.794 5.931 4.057 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.087 7.254 4.238 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.538 5.443 2.871 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.107 8.066 3.151 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.558 6.183 1.822 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.836 7.522 1.913 1.00 0.00 C ATOM 0 H PHE A 30 -8.150 3.811 7.476 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.560 6.573 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.658 4.532 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.376 4.192 4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.298 7.644 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.304 4.393 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.331 9.118 3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.353 5.745 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.843 8.142 1.029 1.00 0.00 H new ATOM 443 N ASP A 31 -11.194 5.648 6.089 1.00 0.00 N ATOM 444 CA ASP A 31 -12.605 5.495 6.412 1.00 0.00 C ATOM 445 C ASP A 31 -13.164 4.232 5.754 1.00 0.00 C ATOM 446 O ASP A 31 -14.227 3.740 6.133 1.00 0.00 O ATOM 447 CB ASP A 31 -13.392 6.728 5.962 1.00 0.00 C ATOM 448 CG ASP A 31 -14.878 6.604 6.238 1.00 0.00 C ATOM 449 OD1 ASP A 31 -15.248 5.859 7.170 1.00 0.00 O ATOM 450 OD2 ASP A 31 -15.672 7.251 5.523 1.00 0.00 O ATOM 0 H ASP A 31 -11.012 6.014 5.154 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.708 5.398 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.004 7.609 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.236 6.884 4.895 1.00 0.00 H new ATOM 455 N LYS A 32 -12.431 3.708 4.771 1.00 0.00 N ATOM 456 CA LYS A 32 -12.834 2.500 4.063 1.00 0.00 C ATOM 457 C LYS A 32 -11.776 2.095 3.041 1.00 0.00 C ATOM 458 O LYS A 32 -12.104 1.617 1.955 1.00 0.00 O ATOM 459 CB LYS A 32 -14.191 2.705 3.371 1.00 0.00 C ATOM 460 CG LYS A 32 -14.113 3.449 2.041 1.00 0.00 C ATOM 461 CD LYS A 32 -14.920 4.736 2.073 1.00 0.00 C ATOM 462 CE LYS A 32 -14.320 5.738 3.044 1.00 0.00 C ATOM 463 NZ LYS A 32 -14.098 7.065 2.407 1.00 0.00 N ATOM 0 H LYS A 32 -11.550 4.107 4.448 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.934 1.697 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.650 1.731 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.849 3.255 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.072 3.677 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.483 2.807 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.956 5.171 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.948 4.517 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.983 5.854 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.373 5.354 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.445 7.815 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.082 7.201 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.612 7.107 1.504 1.00 0.00 H new ATOM 477 N GLY A 33 -10.503 2.302 3.381 1.00 0.00 N ATOM 478 CA GLY A 33 -9.438 1.960 2.454 1.00 0.00 C ATOM 479 C GLY A 33 -9.670 2.636 1.106 1.00 0.00 C ATOM 480 O GLY A 33 -9.417 3.826 0.951 1.00 0.00 O ATOM 0 H GLY A 33 -10.195 2.695 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.477 2.271 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.394 0.879 2.323 1.00 0.00 H new ATOM 484 N GLY A 34 -10.182 1.876 0.133 1.00 0.00 N ATOM 485 CA GLY A 34 -10.457 2.431 -1.187 1.00 0.00 C ATOM 486 C GLY A 34 -11.324 3.673 -1.117 1.00 0.00 C ATOM 487 O GLY A 34 -12.033 3.867 -0.132 1.00 0.00 O ATOM 0 H GLY A 34 -10.411 0.887 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.516 2.674 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.953 1.678 -1.800 1.00 0.00 H new ATOM 491 N VAL A 35 -11.240 4.531 -2.146 1.00 0.00 N ATOM 492 CA VAL A 35 -11.982 5.780 -2.202 1.00 0.00 C ATOM 493 C VAL A 35 -11.185 6.709 -3.083 1.00 0.00 C ATOM 494 O VAL A 35 -10.213 6.277 -3.692 1.00 0.00 O ATOM 495 CB VAL A 35 -12.121 6.394 -0.793 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.742 6.630 -0.178 1.00 0.00 C ATOM 497 CG2 VAL A 35 -13.002 7.639 -0.765 1.00 0.00 C ATOM 0 H VAL A 35 -10.650 4.368 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.987 5.616 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.646 5.669 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.856 7.063 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.211 5.681 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.174 7.314 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.059 8.022 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.575 8.402 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.003 7.384 -1.113 1.00 0.00 H new ATOM 604 N GLY A 42 -8.092 7.750 -6.709 1.00 0.00 N ATOM 605 CA GLY A 42 -8.644 6.998 -5.618 1.00 0.00 C ATOM 606 C GLY A 42 -7.782 7.145 -4.389 1.00 0.00 C ATOM 607 O GLY A 42 -7.691 8.226 -3.808 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.655 7.344 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.719 5.946 -5.894 1.00 0.00 H new ATOM 611 N GLY A 43 -7.087 6.079 -4.037 1.00 0.00 N ATOM 612 CA GLY A 43 -6.171 6.155 -2.916 1.00 0.00 C ATOM 613 C GLY A 43 -6.584 5.452 -1.626 1.00 0.00 C ATOM 614 O GLY A 43 -6.985 6.105 -0.667 1.00 0.00 O ATOM 0 H GLY A 43 -7.137 5.171 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.214 5.742 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.004 7.208 -2.688 1.00 0.00 H new ATOM 618 N ILE A 44 -6.443 4.128 -1.596 1.00 0.00 N ATOM 619 CA ILE A 44 -6.752 3.325 -0.400 1.00 0.00 C ATOM 620 C ILE A 44 -5.747 3.551 0.721 1.00 0.00 C ATOM 621 O ILE A 44 -4.538 3.489 0.517 1.00 0.00 O ATOM 622 CB ILE A 44 -6.746 1.800 -0.666 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.337 1.036 0.534 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.325 1.309 -0.956 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.674 -0.296 0.830 1.00 0.00 C ATOM 0 H ILE A 44 -6.114 3.579 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.751 3.658 -0.117 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.367 1.606 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.264 1.667 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.398 0.865 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.342 0.235 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.935 1.822 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.685 1.520 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.157 -0.760 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.770 -0.951 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.618 -0.136 1.049 1.00 0.00 H new ATOM 637 N TYR A 45 -6.271 3.715 1.913 1.00 0.00 N ATOM 638 CA TYR A 45 -5.445 3.852 3.109 1.00 0.00 C ATOM 639 C TYR A 45 -5.860 2.785 4.100 1.00 0.00 C ATOM 640 O TYR A 45 -7.018 2.378 4.119 1.00 0.00 O ATOM 641 CB TYR A 45 -5.493 5.244 3.710 1.00 0.00 C ATOM 642 CG TYR A 45 -4.950 6.318 2.827 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.483 6.535 1.578 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.920 7.133 3.259 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.009 7.536 0.770 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.434 8.137 2.460 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.980 8.339 1.211 1.00 0.00 C ATOM 648 OH TYR A 45 -3.500 9.346 0.405 1.00 0.00 O ATOM 0 H TYR A 45 -7.275 3.758 2.090 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.401 3.709 2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.527 5.483 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.933 5.242 4.645 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.288 5.906 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.492 6.977 4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.440 7.694 -0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.628 8.766 2.808 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.776 9.818 0.867 1.00 0.00 H new ATOM 658 N VAL A 46 -4.907 2.231 4.839 1.00 0.00 N ATOM 659 CA VAL A 46 -5.237 1.112 5.687 1.00 0.00 C ATOM 660 C VAL A 46 -4.153 0.736 6.708 1.00 0.00 C ATOM 661 O VAL A 46 -3.116 1.387 6.787 1.00 0.00 O ATOM 662 CB VAL A 46 -5.395 -0.041 4.712 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.051 -0.619 4.367 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.386 -1.053 5.237 1.00 0.00 C ATOM 0 H VAL A 46 -3.933 2.531 4.865 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.116 1.354 6.285 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.817 0.323 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.179 -1.445 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.430 0.151 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.568 -0.983 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.484 -1.871 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.035 -1.445 6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.355 -0.575 5.376 1.00 0.00 H new ATOM 674 N LYS A 47 -4.372 -0.389 7.423 1.00 0.00 N ATOM 675 CA LYS A 47 -3.357 -0.907 8.358 1.00 0.00 C ATOM 676 C LYS A 47 -2.493 -1.843 7.545 1.00 0.00 C ATOM 677 O LYS A 47 -1.340 -2.134 7.863 1.00 0.00 O ATOM 678 CB LYS A 47 -3.956 -1.660 9.559 1.00 0.00 C ATOM 679 CG LYS A 47 -4.516 -3.035 9.218 1.00 0.00 C ATOM 680 CD LYS A 47 -4.627 -3.913 10.457 1.00 0.00 C ATOM 681 CE LYS A 47 -3.272 -4.126 11.114 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.109 -3.292 12.336 1.00 0.00 N ATOM 0 H LYS A 47 -5.226 -0.945 7.371 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.801 -0.075 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.187 -1.773 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.751 -1.054 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.498 -2.926 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.873 -3.519 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.310 -3.452 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.055 -4.877 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.157 -5.178 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.482 -3.885 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.122 -2.971 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.738 -2.466 12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.352 -3.855 13.176 1.00 0.00 H new ATOM 696 N ALA A 48 -3.102 -2.244 6.439 1.00 0.00 N ATOM 697 CA ALA A 48 -2.541 -3.060 5.444 1.00 0.00 C ATOM 698 C ALA A 48 -2.616 -4.536 5.793 1.00 0.00 C ATOM 699 O ALA A 48 -3.630 -4.996 6.300 1.00 0.00 O ATOM 700 CB ALA A 48 -1.178 -2.545 5.184 1.00 0.00 C ATOM 0 H ALA A 48 -4.063 -1.975 6.226 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.114 -3.008 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.701 -3.151 4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.238 -1.510 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.590 -2.594 6.100 1.00 0.00 H new ATOM 706 N VAL A 49 -1.592 -5.294 5.457 1.00 0.00 N ATOM 707 CA VAL A 49 -1.627 -6.715 5.641 1.00 0.00 C ATOM 708 C VAL A 49 -1.414 -7.253 7.032 1.00 0.00 C ATOM 709 O VAL A 49 -0.536 -6.842 7.790 1.00 0.00 O ATOM 710 CB VAL A 49 -0.614 -7.357 4.739 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.128 -7.322 3.329 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.732 -6.683 4.875 1.00 0.00 C ATOM 0 H VAL A 49 -0.725 -4.939 5.054 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.660 -6.969 5.403 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.467 -8.398 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.399 -7.786 2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.070 -7.867 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.288 -6.287 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.449 -7.166 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.641 -5.631 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.078 -6.766 5.905 1.00 0.00 H new ATOM 722 N ILE A 50 -2.257 -8.241 7.291 1.00 0.00 N ATOM 723 CA ILE A 50 -2.282 -9.004 8.522 1.00 0.00 C ATOM 724 C ILE A 50 -0.867 -9.343 8.982 1.00 0.00 C ATOM 725 O ILE A 50 0.078 -9.285 8.195 1.00 0.00 O ATOM 726 CB ILE A 50 -3.084 -10.318 8.286 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.965 -10.645 9.493 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.167 -11.483 7.948 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.360 -11.095 9.116 1.00 0.00 C ATOM 0 H ILE A 50 -2.967 -8.542 6.623 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.759 -8.406 9.299 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.733 -10.155 7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.486 -11.427 10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.036 -9.764 10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.763 -12.382 7.790 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.608 -11.255 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.471 -11.649 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.930 -11.310 10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.857 -10.305 8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.299 -11.994 8.503 1.00 0.00 H new ATOM 741 N PRO A 51 -0.698 -9.715 10.257 1.00 0.00 N ATOM 742 CA PRO A 51 0.603 -10.074 10.797 1.00 0.00 C ATOM 743 C PRO A 51 1.017 -11.482 10.429 1.00 0.00 C ATOM 744 O PRO A 51 2.200 -11.820 10.380 1.00 0.00 O ATOM 745 CB PRO A 51 0.420 -9.957 12.316 1.00 0.00 C ATOM 746 CG PRO A 51 -0.990 -9.498 12.534 1.00 0.00 C ATOM 747 CD PRO A 51 -1.742 -9.818 11.275 1.00 0.00 C ATOM 0 HA PRO A 51 1.388 -9.430 10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.597 -10.915 12.804 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.130 -9.247 12.740 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.435 -10.004 13.391 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.022 -8.429 12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.183 -10.814 11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.555 -9.115 11.097 1.00 0.00 H new ATOM 755 N GLN A 52 0.019 -12.285 10.195 1.00 0.00 N ATOM 756 CA GLN A 52 0.214 -13.688 9.845 1.00 0.00 C ATOM 757 C GLN A 52 0.293 -13.914 8.338 1.00 0.00 C ATOM 758 O GLN A 52 0.158 -15.043 7.866 1.00 0.00 O ATOM 759 CB GLN A 52 -0.898 -14.549 10.447 1.00 0.00 C ATOM 760 CG GLN A 52 -2.285 -14.192 9.941 1.00 0.00 C ATOM 761 CD GLN A 52 -3.381 -14.963 10.650 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.365 -15.103 11.873 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.340 -15.468 9.883 1.00 0.00 N ATOM 0 H GLN A 52 -0.959 -11.998 10.238 1.00 0.00 H new ATOM 0 HA GLN A 52 1.174 -13.986 10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.697 -15.596 10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.879 -14.446 11.532 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.453 -13.123 10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.340 -14.391 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.313 -15.327 8.873 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.104 -15.997 10.304 1.00 0.00 H new ATOM 772 N GLY A 53 0.536 -12.849 7.588 1.00 0.00 N ATOM 773 CA GLY A 53 0.655 -12.979 6.146 1.00 0.00 C ATOM 774 C GLY A 53 -0.613 -12.612 5.399 1.00 0.00 C ATOM 775 O GLY A 53 -0.858 -11.444 5.113 1.00 0.00 O ATOM 0 H GLY A 53 0.653 -11.901 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.469 -12.344 5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.926 -14.006 5.903 1.00 0.00 H new ATOM 779 N ALA A 54 -1.428 -13.616 5.095 1.00 0.00 N ATOM 780 CA ALA A 54 -2.684 -13.419 4.390 1.00 0.00 C ATOM 781 C ALA A 54 -2.568 -12.380 3.256 1.00 0.00 C ATOM 782 O ALA A 54 -1.931 -12.662 2.243 1.00 0.00 O ATOM 783 CB ALA A 54 -3.751 -13.089 5.399 1.00 0.00 C ATOM 0 H ALA A 54 -1.234 -14.589 5.332 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.964 -14.340 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.701 -12.938 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.848 -13.911 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.478 -12.179 5.933 1.00 0.00 H new ATOM 789 N ALA A 55 -3.162 -11.180 3.401 1.00 0.00 N ATOM 790 CA ALA A 55 -3.064 -10.163 2.353 1.00 0.00 C ATOM 791 C ALA A 55 -1.609 -9.947 2.030 1.00 0.00 C ATOM 792 O ALA A 55 -1.215 -9.719 0.893 1.00 0.00 O ATOM 793 CB ALA A 55 -3.715 -8.863 2.781 1.00 0.00 C ATOM 0 H ALA A 55 -3.703 -10.900 4.219 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.595 -10.509 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.624 -8.130 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.769 -9.037 2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.220 -8.486 3.676 1.00 0.00 H new ATOM 799 N GLU A 56 -0.826 -10.039 3.080 1.00 0.00 N ATOM 800 CA GLU A 56 0.618 -9.885 3.004 1.00 0.00 C ATOM 801 C GLU A 56 1.174 -10.892 1.997 1.00 0.00 C ATOM 802 O GLU A 56 2.138 -10.620 1.280 1.00 0.00 O ATOM 803 CB GLU A 56 1.213 -10.083 4.393 1.00 0.00 C ATOM 804 CG GLU A 56 2.566 -9.416 4.585 1.00 0.00 C ATOM 805 CD GLU A 56 3.709 -10.412 4.608 1.00 0.00 C ATOM 806 OE1 GLU A 56 4.192 -10.788 3.519 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.122 -10.816 5.716 1.00 0.00 O ATOM 0 H GLU A 56 -1.171 -10.224 4.022 1.00 0.00 H new ATOM 0 HA GLU A 56 0.885 -8.885 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.517 -9.691 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.315 -11.151 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.730 -8.698 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.560 -8.853 5.519 1.00 0.00 H new ATOM 814 N SER A 57 0.490 -12.027 1.908 1.00 0.00 N ATOM 815 CA SER A 57 0.808 -13.076 0.951 1.00 0.00 C ATOM 816 C SER A 57 0.257 -12.612 -0.373 1.00 0.00 C ATOM 817 O SER A 57 0.927 -12.670 -1.403 1.00 0.00 O ATOM 818 CB SER A 57 0.185 -14.410 1.364 1.00 0.00 C ATOM 819 OG SER A 57 0.837 -15.498 0.730 1.00 0.00 O ATOM 0 H SER A 57 -0.308 -12.245 2.505 1.00 0.00 H new ATOM 0 HA SER A 57 1.883 -13.246 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.249 -14.525 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.874 -14.416 1.105 1.00 0.00 H new ATOM 0 HG SER A 57 0.420 -16.339 1.013 1.00 0.00 H new ATOM 825 N ASP A 58 -0.945 -12.031 -0.299 1.00 0.00 N ATOM 826 CA ASP A 58 -1.560 -11.418 -1.455 1.00 0.00 C ATOM 827 C ASP A 58 -0.613 -10.325 -1.904 1.00 0.00 C ATOM 828 O ASP A 58 -0.626 -9.891 -3.056 1.00 0.00 O ATOM 829 CB ASP A 58 -2.935 -10.839 -1.100 1.00 0.00 C ATOM 830 CG ASP A 58 -3.465 -9.888 -2.152 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.301 -10.182 -3.356 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.046 -8.851 -1.772 1.00 0.00 O ATOM 0 H ASP A 58 -1.502 -11.978 0.554 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.726 -12.147 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.644 -11.656 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.868 -10.316 -0.146 1.00 0.00 H new ATOM 837 N GLY A 59 0.207 -9.875 -0.947 1.00 0.00 N ATOM 838 CA GLY A 59 1.152 -8.821 -1.228 1.00 0.00 C ATOM 839 C GLY A 59 0.442 -7.513 -1.359 1.00 0.00 C ATOM 840 O GLY A 59 0.602 -6.815 -2.348 1.00 0.00 O ATOM 0 H GLY A 59 0.226 -10.226 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.892 -8.763 -0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.693 -9.043 -2.148 1.00 0.00 H new ATOM 844 N ARG A 60 -0.342 -7.193 -0.341 1.00 0.00 N ATOM 845 CA ARG A 60 -1.112 -5.963 -0.310 1.00 0.00 C ATOM 846 C ARG A 60 -0.604 -5.118 0.828 1.00 0.00 C ATOM 847 O ARG A 60 -1.352 -4.722 1.722 1.00 0.00 O ATOM 848 CB ARG A 60 -2.600 -6.289 -0.132 1.00 0.00 C ATOM 849 CG ARG A 60 -3.507 -5.067 -0.070 1.00 0.00 C ATOM 850 CD ARG A 60 -3.331 -4.170 -1.283 1.00 0.00 C ATOM 851 NE ARG A 60 -3.107 -2.778 -0.904 1.00 0.00 N ATOM 852 CZ ARG A 60 -3.071 -1.772 -1.774 1.00 0.00 C ATOM 853 NH1 ARG A 60 -3.240 -2.004 -3.069 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.864 -0.534 -1.347 1.00 0.00 N ATOM 0 H ARG A 60 -0.461 -7.779 0.485 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.999 -5.415 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.922 -6.924 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.726 -6.867 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.546 -5.389 -0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.291 -4.500 0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.489 -4.524 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.217 -4.236 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.970 -2.565 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.398 -2.956 -3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.212 -1.231 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.732 -0.353 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.836 0.237 -2.014 1.00 0.00 H new ATOM 868 N ILE A 61 0.696 -4.902 0.818 1.00 0.00 N ATOM 869 CA ILE A 61 1.347 -4.197 1.831 1.00 0.00 C ATOM 870 C ILE A 61 1.430 -2.716 1.598 1.00 0.00 C ATOM 871 O ILE A 61 1.682 -2.244 0.494 1.00 0.00 O ATOM 872 CB ILE A 61 2.750 -4.721 1.998 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.375 -5.222 0.685 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.740 -5.825 3.025 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.380 -4.197 -0.428 1.00 0.00 C ATOM 0 H ILE A 61 1.316 -5.231 0.077 1.00 0.00 H new ATOM 0 HA ILE A 61 0.744 -4.352 2.725 1.00 0.00 H new ATOM 0 HB ILE A 61 3.372 -3.890 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.401 -5.536 0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.830 -6.104 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.751 -6.212 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.377 -5.434 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.084 -6.628 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.837 -4.629 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.356 -3.900 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.951 -3.323 -0.115 1.00 0.00 H new ATOM 887 N HIS A 62 1.261 -2.022 2.704 1.00 0.00 N ATOM 888 CA HIS A 62 1.342 -0.586 2.790 1.00 0.00 C ATOM 889 C HIS A 62 0.122 -0.048 3.510 1.00 0.00 C ATOM 890 O HIS A 62 -0.979 -0.018 2.961 1.00 0.00 O ATOM 891 CB HIS A 62 1.500 0.121 1.445 1.00 0.00 C ATOM 892 CG HIS A 62 2.932 0.363 1.078 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.537 1.596 1.190 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.886 -0.482 0.621 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.801 1.500 0.816 1.00 0.00 C ATOM 896 NE2 HIS A 62 5.038 0.250 0.467 1.00 0.00 N ATOM 0 H HIS A 62 1.056 -2.464 3.600 1.00 0.00 H new ATOM 0 HA HIS A 62 2.253 -0.371 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.027 -0.479 0.667 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.972 1.074 1.477 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.081 2.450 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.764 -1.535 0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.518 2.308 0.799 1.00 0.00 H new ATOM 905 N LYS A 63 0.329 0.375 4.737 1.00 0.00 N ATOM 906 CA LYS A 63 -0.748 0.921 5.546 1.00 0.00 C ATOM 907 C LYS A 63 -0.942 2.379 5.207 1.00 0.00 C ATOM 908 O LYS A 63 -0.081 3.205 5.510 1.00 0.00 O ATOM 909 CB LYS A 63 -0.426 0.773 7.033 1.00 0.00 C ATOM 910 CG LYS A 63 0.975 1.235 7.402 1.00 0.00 C ATOM 911 CD LYS A 63 0.984 1.987 8.724 1.00 0.00 C ATOM 912 CE LYS A 63 2.221 1.655 9.543 1.00 0.00 C ATOM 913 NZ LYS A 63 2.217 0.241 10.008 1.00 0.00 N ATOM 0 H LYS A 63 1.237 0.353 5.202 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.665 0.371 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.152 1.344 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.542 -0.272 7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.638 0.372 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.367 1.878 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.949 3.060 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.090 1.734 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.113 1.837 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.275 2.320 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.798 0.156 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.242 -0.052 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.608 -0.370 9.263 1.00 0.00 H new ATOM 927 N GLY A 64 -2.054 2.711 4.560 1.00 0.00 N ATOM 928 CA GLY A 64 -2.249 4.100 4.201 1.00 0.00 C ATOM 929 C GLY A 64 -1.429 4.464 2.995 1.00 0.00 C ATOM 930 O GLY A 64 -0.209 4.591 3.073 1.00 0.00 O ATOM 0 H GLY A 64 -2.798 2.069 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.304 4.282 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.972 4.739 5.040 1.00 0.00 H new ATOM 934 N ASP A 65 -2.107 4.595 1.875 1.00 0.00 N ATOM 935 CA ASP A 65 -1.448 4.916 0.610 1.00 0.00 C ATOM 936 C ASP A 65 -2.481 5.212 -0.468 1.00 0.00 C ATOM 937 O ASP A 65 -3.660 5.346 -0.150 1.00 0.00 O ATOM 938 CB ASP A 65 -0.572 3.746 0.204 1.00 0.00 C ATOM 939 CG ASP A 65 0.904 4.085 0.240 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.338 4.934 -0.566 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.627 3.503 1.076 1.00 0.00 O ATOM 0 H ASP A 65 -3.119 4.485 1.806 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.831 5.806 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.764 2.904 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.843 3.425 -0.802 1.00 0.00 H new ATOM 946 N ARG A 66 -2.073 5.345 -1.742 1.00 0.00 N ATOM 947 CA ARG A 66 -3.083 5.643 -2.756 1.00 0.00 C ATOM 948 C ARG A 66 -3.078 4.752 -4.016 1.00 0.00 C ATOM 949 O ARG A 66 -2.224 4.871 -4.889 1.00 0.00 O ATOM 950 CB ARG A 66 -2.970 7.108 -3.182 1.00 0.00 C ATOM 951 CG ARG A 66 -2.721 8.068 -2.027 1.00 0.00 C ATOM 952 CD ARG A 66 -1.284 8.562 -2.012 1.00 0.00 C ATOM 953 NE ARG A 66 -1.047 9.588 -3.025 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.385 10.866 -2.879 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.976 11.282 -1.766 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.133 11.734 -3.850 1.00 0.00 N ATOM 0 H ARG A 66 -1.113 5.257 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.030 5.426 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.159 7.205 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.888 7.400 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.398 8.918 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.945 7.570 -1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.049 8.965 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.610 7.722 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.596 9.307 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.174 10.620 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.232 12.264 -1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.680 11.421 -4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.392 12.714 -3.738 1.00 0.00 H new ATOM 970 N VAL A 67 -4.101 3.905 -4.102 1.00 0.00 N ATOM 971 CA VAL A 67 -4.371 3.021 -5.172 1.00 0.00 C ATOM 972 C VAL A 67 -5.036 3.624 -6.364 1.00 0.00 C ATOM 973 O VAL A 67 -5.966 4.424 -6.262 1.00 0.00 O ATOM 974 CB VAL A 67 -5.276 1.891 -4.741 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.415 0.737 -4.536 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.073 2.195 -3.511 1.00 0.00 C ATOM 0 H VAL A 67 -4.797 3.834 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.372 2.692 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.026 1.712 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.017 -0.115 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.903 0.495 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.679 0.965 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.699 1.338 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.397 2.404 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.704 3.065 -3.692 1.00 0.00 H new ATOM 986 N LEU A 68 -4.602 3.137 -7.500 1.00 0.00 N ATOM 987 CA LEU A 68 -5.209 3.524 -8.740 1.00 0.00 C ATOM 988 C LEU A 68 -6.423 2.624 -8.966 1.00 0.00 C ATOM 989 O LEU A 68 -7.520 3.112 -9.239 1.00 0.00 O ATOM 990 CB LEU A 68 -4.224 3.419 -9.911 1.00 0.00 C ATOM 991 CG LEU A 68 -3.772 2.005 -10.274 1.00 0.00 C ATOM 992 CD1 LEU A 68 -4.764 1.351 -11.224 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.384 2.039 -10.895 1.00 0.00 C ATOM 0 H LEU A 68 -3.832 2.474 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.514 4.569 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.684 3.870 -10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.341 4.013 -9.673 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.732 1.411 -9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.423 0.345 -11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.743 1.296 -10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.838 1.942 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.074 1.025 -11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.404 2.649 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.678 2.467 -10.184 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.235 1.302 -8.809 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.332 0.358 -8.951 1.00 0.00 C ATOM 1007 C ALA A 69 -7.301 -0.622 -7.803 1.00 0.00 C ATOM 1008 O ALA A 69 -6.228 -0.966 -7.334 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.254 -0.366 -10.286 1.00 0.00 C ATOM 0 H ALA A 69 -5.336 0.875 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.276 0.902 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.085 -1.067 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.309 0.360 -11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.312 -0.911 -10.350 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.455 -1.097 -7.381 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.536 -2.072 -6.317 1.00 0.00 C ATOM 1017 C VAL A 70 -9.273 -3.300 -6.822 1.00 0.00 C ATOM 1018 O VAL A 70 -10.190 -3.191 -7.634 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.220 -1.499 -5.077 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.673 -1.264 -5.387 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.041 -2.426 -3.886 1.00 0.00 C ATOM 0 H VAL A 70 -9.358 -0.819 -7.765 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.525 -2.350 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.760 -0.548 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.171 -0.855 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.759 -0.559 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.143 -2.208 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.536 -1.998 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.480 -3.398 -4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.978 -2.548 -3.676 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.848 -4.464 -6.374 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.441 -5.723 -6.820 1.00 0.00 C ATOM 1033 C ASN A 71 -9.517 -5.767 -8.340 1.00 0.00 C ATOM 1034 O ASN A 71 -10.249 -6.571 -8.916 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.836 -5.869 -6.252 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.508 -7.169 -6.652 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.025 -8.255 -6.335 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.631 -7.062 -7.354 1.00 0.00 N ATOM 0 H ASN A 71 -8.091 -4.571 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.812 -6.541 -6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.787 -5.812 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.448 -5.032 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.128 -7.901 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.996 -6.141 -7.595 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.769 -4.884 -8.986 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.794 -4.835 -10.435 1.00 0.00 C ATOM 1047 C GLY A 72 -9.661 -3.707 -10.944 1.00 0.00 C ATOM 1048 O GLY A 72 -9.499 -3.255 -12.077 1.00 0.00 O ATOM 0 H GLY A 72 -8.151 -4.207 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.779 -4.711 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.165 -5.783 -10.824 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.564 -3.224 -10.095 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.421 -2.118 -10.464 1.00 0.00 C ATOM 1054 C VAL A 73 -10.700 -0.830 -10.145 1.00 0.00 C ATOM 1055 O VAL A 73 -10.011 -0.746 -9.143 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.797 -2.136 -9.729 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.600 -0.872 -10.026 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.586 -3.379 -10.117 1.00 0.00 C ATOM 0 H VAL A 73 -10.716 -3.584 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.634 -2.206 -11.529 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.608 -2.163 -8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.553 -0.915 -9.500 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.040 0.002 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.781 -0.799 -11.098 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.544 -3.379 -9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.757 -3.380 -11.193 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.022 -4.269 -9.839 1.00 0.00 H new ATOM 1068 N SER A 74 -10.857 0.176 -10.974 1.00 0.00 N ATOM 1069 CA SER A 74 -10.197 1.436 -10.706 1.00 0.00 C ATOM 1070 C SER A 74 -11.011 2.153 -9.654 1.00 0.00 C ATOM 1071 O SER A 74 -12.163 2.512 -9.903 1.00 0.00 O ATOM 1072 CB SER A 74 -10.100 2.282 -11.978 1.00 0.00 C ATOM 1073 OG SER A 74 -10.035 1.463 -13.132 1.00 0.00 O ATOM 0 H SER A 74 -11.423 0.151 -11.822 1.00 0.00 H new ATOM 0 HA SER A 74 -9.179 1.265 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.964 2.943 -12.046 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.216 2.918 -11.929 1.00 0.00 H new ATOM 0 HG SER A 74 -9.975 2.028 -13.931 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.438 2.359 -8.465 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.164 3.010 -7.442 1.00 0.00 C ATOM 1081 C LEU A 75 -10.815 4.454 -7.500 1.00 0.00 C ATOM 1082 O LEU A 75 -10.032 4.963 -6.710 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.814 2.436 -6.076 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.358 2.635 -5.676 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.236 2.849 -4.175 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.517 1.454 -6.119 1.00 0.00 C ATOM 0 H LEU A 75 -9.489 2.080 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.234 2.864 -7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.453 2.899 -5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.039 1.369 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.985 3.528 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.188 2.989 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.804 3.733 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.629 1.978 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.480 1.615 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.891 0.544 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.575 1.352 -7.203 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.405 5.117 -8.443 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.147 6.508 -8.603 1.00 0.00 C ATOM 1100 C GLU A 76 -12.211 7.297 -7.855 1.00 0.00 C ATOM 1101 O GLU A 76 -12.616 8.382 -8.273 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.126 6.892 -10.083 1.00 0.00 C ATOM 1103 CG GLU A 76 -12.465 6.711 -10.779 1.00 0.00 C ATOM 1104 CD GLU A 76 -12.805 7.865 -11.701 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.898 8.342 -12.415 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -13.979 8.292 -11.710 1.00 0.00 O ATOM 0 H GLU A 76 -12.065 4.718 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.165 6.743 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.816 7.933 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.376 6.290 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.449 5.785 -11.353 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.249 6.607 -10.029 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.693 6.704 -6.765 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.737 7.298 -5.985 1.00 0.00 C ATOM 1115 C GLY A 77 -15.026 6.531 -6.166 1.00 0.00 C ATOM 1116 O GLY A 77 -16.117 7.047 -5.923 1.00 0.00 O ATOM 0 H GLY A 77 -12.363 5.805 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.455 7.305 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.878 8.336 -6.284 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.880 5.280 -6.600 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.009 4.402 -6.826 1.00 0.00 C ATOM 1122 C ALA A 78 -16.388 3.696 -5.549 1.00 0.00 C ATOM 1123 O ALA A 78 -17.555 3.722 -5.163 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.684 3.391 -7.916 1.00 0.00 C ATOM 0 H ALA A 78 -13.975 4.855 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.857 5.003 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.542 2.738 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.452 3.917 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.824 2.793 -7.613 1.00 0.00 H new ATOM 1130 N THR A 79 -15.410 3.056 -4.887 1.00 0.00 N ATOM 1131 CA THR A 79 -15.679 2.346 -3.668 1.00 0.00 C ATOM 1132 C THR A 79 -17.095 1.961 -3.570 1.00 0.00 C ATOM 1133 O THR A 79 -17.483 0.964 -4.162 1.00 0.00 O ATOM 1134 CB THR A 79 -15.254 3.126 -2.451 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.129 4.510 -2.720 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.969 2.614 -1.989 1.00 0.00 C ATOM 0 H THR A 79 -14.436 3.027 -5.190 1.00 0.00 H new ATOM 0 HA THR A 79 -15.080 1.436 -3.699 1.00 0.00 H new ATOM 0 HB THR A 79 -16.023 3.004 -1.689 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.011 4.998 -1.878 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.651 3.171 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.068 1.559 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.226 2.729 -2.779 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.850 2.737 -2.805 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.248 2.450 -2.609 1.00 0.00 C ATOM 1146 C HIS A 80 -19.503 0.998 -2.990 1.00 0.00 C ATOM 1147 O HIS A 80 -19.542 0.120 -2.130 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.100 3.453 -3.396 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.430 2.940 -3.814 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.762 2.249 -4.904 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.594 3.124 -3.098 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.114 2.015 -4.853 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.595 2.555 -3.748 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.512 3.565 -2.315 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.535 2.566 -1.564 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.244 4.345 -2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.548 3.760 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.675 3.649 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.689 1.478 -5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.570 2.536 -3.448 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.623 0.734 -4.275 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.787 -0.628 -4.739 1.00 0.00 C ATOM 1164 C LYS A 81 -18.463 -1.406 -4.896 1.00 0.00 C ATOM 1165 O LYS A 81 -18.242 -2.451 -4.291 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.539 -0.634 -6.070 1.00 0.00 C ATOM 1167 CG LYS A 81 -20.975 -2.019 -6.517 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.416 -2.303 -6.128 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.611 -3.759 -5.735 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.850 -3.956 -4.934 1.00 0.00 N ATOM 0 H LYS A 81 -19.610 1.439 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.356 -1.142 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.418 0.004 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.902 -0.197 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.866 -2.105 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.322 -2.769 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.703 -1.659 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.074 -2.059 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.658 -4.374 -6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.749 -4.099 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.947 -4.961 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.795 -3.389 -4.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -24.675 -3.656 -5.491 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.620 -0.884 -5.796 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.363 -1.540 -6.205 1.00 0.00 C ATOM 1186 C GLN A 82 -15.217 -1.584 -5.229 1.00 0.00 C ATOM 1187 O GLN A 82 -14.662 -2.654 -4.995 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.811 -0.832 -7.452 1.00 0.00 C ATOM 1189 CG GLN A 82 -16.878 -0.431 -8.453 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.316 0.311 -9.650 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.441 1.165 -9.509 1.00 0.00 O ATOM 1192 NE2 GLN A 82 -16.818 -0.012 -10.836 1.00 0.00 N ATOM 0 H GLN A 82 -17.787 0.007 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.680 -2.574 -6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.265 0.059 -7.141 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.094 -1.489 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.399 -1.324 -8.798 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.617 0.198 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.543 -0.726 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.479 0.454 -11.677 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.794 -0.444 -4.736 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.607 -0.448 -3.871 1.00 0.00 C ATOM 1203 C ALA A 83 -13.860 -0.939 -2.487 1.00 0.00 C ATOM 1204 O ALA A 83 -13.142 -1.793 -1.967 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.848 0.871 -3.907 1.00 0.00 C ATOM 0 H ALA A 83 -15.221 0.467 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.944 -1.195 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.981 0.810 -3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.517 1.073 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.502 1.676 -3.572 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.880 -0.431 -1.905 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.230 -0.832 -0.576 1.00 0.00 C ATOM 1213 C VAL A 84 -15.604 -2.297 -0.575 1.00 0.00 C ATOM 1214 O VAL A 84 -15.267 -3.049 0.339 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.384 0.006 -0.004 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.225 0.571 -1.117 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.246 -0.824 0.926 1.00 0.00 C ATOM 0 H VAL A 84 -15.496 0.267 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.363 -0.667 0.063 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.953 0.828 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -18.038 1.162 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.608 1.205 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.639 -0.244 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.056 -0.208 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.665 -1.668 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.639 -1.193 1.752 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.701 -11.611 -1.234 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.425 -13.002 -0.928 1.00 0.00 C ATOM 1329 C GLY A 91 -9.933 -13.952 -1.998 1.00 0.00 C ATOM 1330 O GLY A 91 -9.145 -14.689 -2.590 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.350 -13.137 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.885 -13.258 0.026 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.248 -13.934 -2.262 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.835 -14.807 -3.290 1.00 0.00 C ATOM 1336 C GLN A 92 -10.876 -14.908 -4.468 1.00 0.00 C ATOM 1337 O GLN A 92 -10.676 -15.975 -5.047 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.186 -14.257 -3.753 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.140 -12.793 -4.162 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.426 -12.331 -4.820 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.252 -11.668 -4.194 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.602 -12.682 -6.089 1.00 0.00 N ATOM 0 H GLN A 92 -11.919 -13.332 -1.784 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.999 -15.799 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.541 -14.850 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.913 -14.378 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.946 -12.180 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.308 -12.637 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.890 -13.233 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.449 -12.401 -6.583 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.263 -13.773 -4.765 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.307 -13.613 -5.765 1.00 0.00 C ATOM 1353 C VAL A 93 -9.098 -12.138 -5.935 1.00 0.00 C ATOM 1354 O VAL A 93 -9.971 -11.419 -6.425 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.674 -14.271 -7.061 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.672 -13.456 -7.877 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.373 -14.457 -7.751 1.00 0.00 C ATOM 0 H VAL A 93 -10.456 -12.906 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.387 -14.113 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.195 -15.217 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.900 -13.982 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.588 -13.321 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.242 -12.482 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.538 -14.935 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.900 -13.487 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.724 -15.086 -7.141 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.984 -11.672 -5.435 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.724 -10.278 -5.440 1.00 0.00 C ATOM 1369 C VAL A 94 -6.561 -9.886 -6.311 1.00 0.00 C ATOM 1370 O VAL A 94 -5.481 -10.479 -6.296 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.444 -9.791 -4.045 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.979 -9.485 -3.981 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.306 -8.586 -3.674 1.00 0.00 C ATOM 0 H VAL A 94 -7.249 -12.246 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.623 -9.816 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.704 -10.555 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.725 -9.126 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.409 -10.388 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.735 -8.717 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.070 -8.269 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.105 -7.768 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.359 -8.860 -3.733 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.821 -8.837 -7.003 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.861 -8.180 -7.870 1.00 0.00 C ATOM 1385 C HIS A 95 -5.881 -6.678 -7.654 1.00 0.00 C ATOM 1386 O HIS A 95 -6.907 -6.044 -7.877 1.00 0.00 O ATOM 1387 CB HIS A 95 -6.122 -8.575 -9.300 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.732 -9.990 -9.476 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.444 -11.024 -8.946 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.621 -10.537 -9.981 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.763 -12.132 -9.119 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.672 -11.865 -9.757 1.00 0.00 N ATOM 0 H HIS A 95 -7.734 -8.382 -6.994 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.851 -8.507 -7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.176 -8.440 -9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.554 -7.939 -9.978 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.823 -10.008 -10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.066 -13.112 -8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.968 -12.545 -10.043 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.787 -6.102 -7.178 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.761 -4.714 -6.908 1.00 0.00 C ATOM 1403 C LEU A 96 -3.633 -3.945 -7.490 1.00 0.00 C ATOM 1404 O LEU A 96 -2.494 -4.338 -7.407 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.721 -4.491 -5.423 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.870 -3.675 -5.050 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.347 -3.965 -3.633 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.586 -2.195 -5.281 1.00 0.00 C ATOM 0 H LEU A 96 -3.916 -6.594 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.667 -4.343 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.745 -5.444 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.794 -3.993 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.697 -3.951 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.204 -3.333 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.637 -5.013 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.542 -3.757 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.459 -1.608 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.730 -1.890 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.365 -2.027 -6.335 1.00 0.00 H new ATOM 1420 N LEU A 97 -3.984 -2.776 -7.979 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.009 -1.844 -8.471 1.00 0.00 C ATOM 1422 C LEU A 97 -2.987 -0.641 -7.540 1.00 0.00 C ATOM 1423 O LEU A 97 -3.972 0.089 -7.429 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.345 -1.412 -9.888 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.861 -2.385 -10.938 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.370 -1.996 -12.318 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.342 -2.450 -10.909 1.00 0.00 C ATOM 0 H LEU A 97 -4.949 -2.451 -8.044 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.027 -2.316 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.425 -1.297 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.903 -0.434 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.259 -3.375 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.007 -2.713 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.460 -1.997 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.008 -1.000 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.993 -3.152 -11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.932 -1.461 -11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.011 -2.783 -9.926 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.868 -0.462 -6.856 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.708 0.629 -5.892 1.00 0.00 C ATOM 1441 C LEU A 98 -0.689 1.645 -6.340 1.00 0.00 C ATOM 1442 O LEU A 98 0.253 1.324 -7.058 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.295 0.048 -4.544 1.00 0.00 C ATOM 1444 CG LEU A 98 0.107 0.408 -4.032 1.00 0.00 C ATOM 1445 CD1 LEU A 98 0.055 1.684 -3.202 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.632 -0.770 -3.238 1.00 0.00 C ATOM 0 H LEU A 98 -1.047 -1.061 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.665 1.145 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.022 0.371 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.365 -1.038 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 98 0.785 0.605 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.056 1.927 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.320 2.503 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.608 1.537 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.629 -0.540 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.035 -0.970 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.680 -1.649 -3.880 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.869 2.865 -5.870 1.00 0.00 N ATOM 1459 CA GLU A 99 0.067 3.933 -6.185 1.00 0.00 C ATOM 1460 C GLU A 99 0.591 4.591 -4.924 1.00 0.00 C ATOM 1461 O GLU A 99 -0.121 5.296 -4.211 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.538 4.979 -7.112 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.386 4.394 -8.229 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.099 5.036 -9.572 1.00 0.00 C ATOM 1465 OE1 GLU A 99 0.019 4.844 -10.095 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.992 5.730 -10.100 1.00 0.00 O ATOM 0 H GLU A 99 -1.648 3.142 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 99 0.901 3.469 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.151 5.661 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.266 5.570 -7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.203 3.322 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.441 4.523 -7.986 1.00 0.00 H new