USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 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= -0.384 X(o=-0.38,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.9!) USER MOD Single : A 21 SER OG : rot -49:sc= -1.4! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= -3.42! (180deg=-4.32!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 47 LYS NZ :NH3+ -142:sc= -0.236 (180deg=-0.879) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.481 K(o=-0.48,f=-5.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.04 K(o=-1,f=-2.3) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.442 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.7 F(o=-4.8!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.09 (180deg=-0.437) USER MOD Single : A 82 GLN :FLIP amide:sc= -5.6! C(o=-7.2!,f=-5.6!) USER MOD Single : A 92 GLN : amide:sc= -0.0647 K(o=-0.065,f=-1.3) USER MOD Single : A 95 HIS : no HE2:sc= -9.91! C(o=-9.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.596 0.791 -3.526 1.00 0.00 N ATOM 97 CA GLY A 8 7.093 2.142 -3.335 1.00 0.00 C ATOM 98 C GLY A 8 6.681 3.038 -4.483 1.00 0.00 C ATOM 99 O GLY A 8 7.389 3.982 -4.837 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.709 2.546 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.180 2.126 -3.254 1.00 0.00 H new ATOM 103 N ASP A 9 5.538 2.710 -5.079 1.00 0.00 N ATOM 104 CA ASP A 9 4.998 3.426 -6.216 1.00 0.00 C ATOM 105 C ASP A 9 3.802 2.649 -6.702 1.00 0.00 C ATOM 106 O ASP A 9 2.952 2.243 -5.909 1.00 0.00 O ATOM 107 CB ASP A 9 6.061 3.569 -7.303 1.00 0.00 C ATOM 108 CG ASP A 9 6.051 4.943 -7.946 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.956 5.530 -8.073 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.137 5.431 -8.321 1.00 0.00 O ATOM 0 H ASP A 9 4.958 1.928 -4.777 1.00 0.00 H new ATOM 0 HA ASP A 9 4.695 4.436 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.044 3.380 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.897 2.811 -8.069 1.00 0.00 H new ATOM 115 N ILE A 10 3.740 2.429 -7.978 1.00 0.00 N ATOM 116 CA ILE A 10 2.650 1.682 -8.538 1.00 0.00 C ATOM 117 C ILE A 10 2.897 0.182 -8.325 1.00 0.00 C ATOM 118 O ILE A 10 3.653 -0.464 -9.049 1.00 0.00 O ATOM 119 CB ILE A 10 2.538 2.028 -10.041 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.089 1.933 -10.521 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.448 1.160 -10.901 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.401 0.644 -10.121 1.00 0.00 C ATOM 0 H ILE A 10 4.430 2.755 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 10 1.711 1.940 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 10 2.873 3.059 -10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.526 2.775 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.068 2.024 -11.607 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.334 1.440 -11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.484 1.306 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.177 0.112 -10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.623 0.647 -10.495 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.940 -0.203 -10.545 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.390 0.560 -9.034 1.00 0.00 H new ATOM 134 N PHE A 11 2.237 -0.356 -7.305 1.00 0.00 N ATOM 135 CA PHE A 11 2.348 -1.769 -6.958 1.00 0.00 C ATOM 136 C PHE A 11 0.990 -2.455 -7.059 1.00 0.00 C ATOM 137 O PHE A 11 -0.004 -1.902 -6.613 1.00 0.00 O ATOM 138 CB PHE A 11 2.934 -1.922 -5.551 1.00 0.00 C ATOM 139 CG PHE A 11 2.843 -3.309 -5.015 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.208 -4.388 -5.798 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.387 -3.533 -3.731 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.118 -5.669 -5.307 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.296 -4.810 -3.234 1.00 0.00 C ATOM 144 CZ PHE A 11 2.662 -5.878 -4.025 1.00 0.00 C ATOM 0 H PHE A 11 1.612 0.173 -6.697 1.00 0.00 H new ATOM 0 HA PHE A 11 3.021 -2.252 -7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.980 -1.615 -5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.413 -1.245 -4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.567 -4.223 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.099 -2.696 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.404 -6.508 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.939 -4.977 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.591 -6.883 -3.637 1.00 0.00 H new ATOM 154 N GLU A 12 0.941 -3.667 -7.596 1.00 0.00 N ATOM 155 CA GLU A 12 -0.311 -4.390 -7.693 1.00 0.00 C ATOM 156 C GLU A 12 -0.263 -5.644 -6.822 1.00 0.00 C ATOM 157 O GLU A 12 0.821 -6.181 -6.603 1.00 0.00 O ATOM 158 CB GLU A 12 -0.655 -4.716 -9.156 1.00 0.00 C ATOM 159 CG GLU A 12 -0.602 -6.198 -9.505 1.00 0.00 C ATOM 160 CD GLU A 12 -0.854 -6.459 -10.977 1.00 0.00 C ATOM 161 OE1 GLU A 12 0.111 -6.383 -11.767 1.00 0.00 O ATOM 162 OE2 GLU A 12 -2.015 -6.739 -11.341 1.00 0.00 O ATOM 0 H GLU A 12 1.750 -4.164 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.112 -3.753 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.655 -4.341 -9.373 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.035 -4.178 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.374 -6.597 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.344 -6.734 -8.912 1.00 0.00 H new ATOM 169 N VAL A 13 -1.410 -6.126 -6.299 1.00 0.00 N ATOM 170 CA VAL A 13 -1.356 -7.293 -5.462 1.00 0.00 C ATOM 171 C VAL A 13 -2.305 -8.347 -5.979 1.00 0.00 C ATOM 172 O VAL A 13 -3.526 -8.200 -5.917 1.00 0.00 O ATOM 173 CB VAL A 13 -1.709 -6.916 -4.005 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.183 -5.525 -3.664 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.207 -6.981 -3.758 1.00 0.00 C ATOM 0 H VAL A 13 -2.338 -5.729 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.344 -7.698 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.227 -7.646 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.443 -5.280 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.099 -5.508 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.631 -4.792 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.417 -6.710 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.716 -6.286 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.563 -7.994 -3.947 1.00 0.00 H new ATOM 185 N GLU A 14 -1.741 -9.407 -6.515 1.00 0.00 N ATOM 186 CA GLU A 14 -2.539 -10.462 -7.052 1.00 0.00 C ATOM 187 C GLU A 14 -2.359 -11.795 -6.325 1.00 0.00 C ATOM 188 O GLU A 14 -1.252 -12.323 -6.243 1.00 0.00 O ATOM 189 CB GLU A 14 -2.190 -10.674 -8.488 1.00 0.00 C ATOM 190 CG GLU A 14 -0.810 -11.264 -8.702 1.00 0.00 C ATOM 191 CD GLU A 14 -0.344 -11.161 -10.140 1.00 0.00 C ATOM 192 OE1 GLU A 14 -1.205 -11.154 -11.045 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.883 -11.085 -10.362 1.00 0.00 O ATOM 0 H GLU A 14 -0.734 -9.552 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.576 -10.149 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.931 -11.334 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.252 -9.720 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.097 -10.752 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.817 -12.312 -8.401 1.00 0.00 H new ATOM 200 N LEU A 15 -3.464 -12.354 -5.903 1.00 0.00 N ATOM 201 CA LEU A 15 -3.519 -13.671 -5.268 1.00 0.00 C ATOM 202 C LEU A 15 -4.796 -14.381 -5.674 1.00 0.00 C ATOM 203 O LEU A 15 -5.825 -13.744 -5.896 1.00 0.00 O ATOM 204 CB LEU A 15 -3.435 -13.595 -3.738 1.00 0.00 C ATOM 205 CG LEU A 15 -2.127 -14.141 -3.178 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.047 -15.649 -3.372 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.978 -13.440 -3.869 1.00 0.00 C ATOM 0 H LEU A 15 -4.377 -11.907 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.648 -14.230 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.551 -12.557 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.267 -14.152 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.075 -13.951 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.106 -16.019 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.879 -16.127 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.099 -15.882 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.033 -13.819 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.030 -13.627 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.042 -12.368 -3.684 1.00 0.00 H new ATOM 219 N ALA A 16 -4.734 -15.698 -5.754 1.00 0.00 N ATOM 220 CA ALA A 16 -5.886 -16.487 -6.113 1.00 0.00 C ATOM 221 C ALA A 16 -6.349 -17.228 -4.887 1.00 0.00 C ATOM 222 O ALA A 16 -5.564 -17.961 -4.291 1.00 0.00 O ATOM 223 CB ALA A 16 -5.518 -17.452 -7.222 1.00 0.00 C ATOM 0 H ALA A 16 -3.890 -16.241 -5.573 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.691 -15.849 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.391 -18.047 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.178 -16.892 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.720 -18.112 -6.880 1.00 0.00 H new ATOM 229 N LYS A 17 -7.600 -17.021 -4.480 1.00 0.00 N ATOM 230 CA LYS A 17 -8.095 -17.686 -3.274 1.00 0.00 C ATOM 231 C LYS A 17 -7.591 -19.118 -3.215 1.00 0.00 C ATOM 232 O LYS A 17 -8.205 -20.036 -3.758 1.00 0.00 O ATOM 233 CB LYS A 17 -9.614 -17.679 -3.177 1.00 0.00 C ATOM 234 CG LYS A 17 -10.111 -18.471 -1.982 1.00 0.00 C ATOM 235 CD LYS A 17 -10.945 -19.669 -2.407 1.00 0.00 C ATOM 236 CE LYS A 17 -10.657 -20.885 -1.542 1.00 0.00 C ATOM 237 NZ LYS A 17 -11.862 -21.743 -1.372 1.00 0.00 N ATOM 0 H LYS A 17 -8.273 -16.417 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.710 -17.118 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.968 -16.651 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.038 -18.097 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.260 -18.811 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.706 -17.823 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.004 -19.418 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.737 -19.906 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.856 -21.470 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.302 -20.559 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.624 -22.561 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.619 -21.193 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.186 -22.075 -2.303 1.00 0.00 H new ATOM 251 N ASN A 18 -6.454 -19.285 -2.568 1.00 0.00 N ATOM 252 CA ASN A 18 -5.835 -20.608 -2.452 1.00 0.00 C ATOM 253 C ASN A 18 -5.337 -20.878 -1.039 1.00 0.00 C ATOM 254 O ASN A 18 -5.751 -21.844 -0.397 1.00 0.00 O ATOM 255 CB ASN A 18 -4.675 -20.735 -3.441 1.00 0.00 C ATOM 256 CG ASN A 18 -4.496 -22.155 -3.941 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.625 -22.426 -5.135 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.195 -23.070 -3.027 1.00 0.00 N ATOM 0 H ASN A 18 -5.936 -18.532 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.600 -21.349 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.850 -20.073 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.754 -20.402 -2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.061 -24.043 -3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.098 -22.800 -2.048 1.00 0.00 H new ATOM 265 N ASP A 19 -4.462 -20.012 -0.555 1.00 0.00 N ATOM 266 CA ASP A 19 -3.917 -20.140 0.789 1.00 0.00 C ATOM 267 C ASP A 19 -4.217 -18.875 1.546 1.00 0.00 C ATOM 268 O ASP A 19 -4.546 -18.885 2.732 1.00 0.00 O ATOM 269 CB ASP A 19 -2.409 -20.399 0.747 1.00 0.00 C ATOM 270 CG ASP A 19 -1.842 -20.730 2.113 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.385 -20.227 3.119 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.854 -21.491 2.177 1.00 0.00 O ATOM 0 H ASP A 19 -4.111 -19.208 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.378 -20.991 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.203 -21.222 0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.903 -19.519 0.350 1.00 0.00 H new ATOM 277 N ASN A 20 -4.141 -17.798 0.804 1.00 0.00 N ATOM 278 CA ASN A 20 -4.433 -16.480 1.289 1.00 0.00 C ATOM 279 C ASN A 20 -4.555 -15.567 0.098 1.00 0.00 C ATOM 280 O ASN A 20 -3.996 -15.847 -0.963 1.00 0.00 O ATOM 281 CB ASN A 20 -3.358 -15.960 2.239 1.00 0.00 C ATOM 282 CG ASN A 20 -3.382 -16.657 3.586 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.524 -17.488 3.883 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.368 -16.319 4.410 1.00 0.00 N ATOM 0 H ASN A 20 -3.867 -17.819 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.362 -16.512 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.378 -16.095 1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.496 -14.889 2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.435 -16.754 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.058 -15.625 4.122 1.00 0.00 H new ATOM 291 N SER A 21 -5.286 -14.490 0.249 1.00 0.00 N ATOM 292 CA SER A 21 -5.461 -13.575 -0.854 1.00 0.00 C ATOM 293 C SER A 21 -6.065 -12.291 -0.320 1.00 0.00 C ATOM 294 O SER A 21 -6.887 -11.638 -0.961 1.00 0.00 O ATOM 295 CB SER A 21 -6.349 -14.236 -1.919 1.00 0.00 C ATOM 296 OG SER A 21 -6.294 -13.530 -3.146 1.00 0.00 O ATOM 0 H SER A 21 -5.763 -14.227 1.111 1.00 0.00 H new ATOM 0 HA SER A 21 -4.508 -13.333 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.028 -15.266 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.379 -14.273 -1.564 1.00 0.00 H new ATOM 0 HG SER A 21 -6.435 -12.574 -2.980 1.00 0.00 H new ATOM 302 N LEU A 22 -5.648 -11.978 0.900 1.00 0.00 N ATOM 303 CA LEU A 22 -6.116 -10.827 1.640 1.00 0.00 C ATOM 304 C LEU A 22 -5.678 -10.983 3.083 1.00 0.00 C ATOM 305 O LEU A 22 -5.119 -12.008 3.449 1.00 0.00 O ATOM 306 CB LEU A 22 -7.623 -10.817 1.701 1.00 0.00 C ATOM 307 CG LEU A 22 -8.087 -11.459 3.005 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.987 -10.513 3.788 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.779 -12.788 2.747 1.00 0.00 C ATOM 0 H LEU A 22 -4.960 -12.533 1.408 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.727 -9.930 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.993 -9.794 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.035 -11.359 0.850 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.204 -11.659 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.304 -10.995 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.439 -9.601 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.863 -10.265 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.099 -13.222 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.649 -12.628 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.087 -13.469 2.252 1.00 0.00 H new ATOM 321 N GLY A 23 -6.017 -10.010 3.914 1.00 0.00 N ATOM 322 CA GLY A 23 -5.711 -10.097 5.327 1.00 0.00 C ATOM 323 C GLY A 23 -5.419 -8.747 5.895 1.00 0.00 C ATOM 324 O GLY A 23 -4.534 -8.583 6.721 1.00 0.00 O ATOM 0 H GLY A 23 -6.501 -9.157 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.551 -10.545 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.853 -10.752 5.477 1.00 0.00 H new ATOM 328 N ILE A 24 -6.151 -7.766 5.429 1.00 0.00 N ATOM 329 CA ILE A 24 -5.933 -6.409 5.877 1.00 0.00 C ATOM 330 C ILE A 24 -7.136 -5.824 6.587 1.00 0.00 C ATOM 331 O ILE A 24 -8.283 -6.146 6.276 1.00 0.00 O ATOM 332 CB ILE A 24 -5.540 -5.506 4.695 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.721 -5.336 3.732 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.336 -6.115 3.963 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.103 -3.892 3.497 1.00 0.00 C ATOM 0 H ILE A 24 -6.899 -7.878 4.744 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.117 -6.450 6.598 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.268 -4.521 5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.470 -5.798 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.583 -5.872 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.058 -5.475 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.495 -6.198 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.599 -7.105 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.945 -3.846 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.385 -3.431 4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.255 -3.356 3.071 1.00 0.00 H new ATOM 347 N SER A 25 -6.856 -4.933 7.528 1.00 0.00 N ATOM 348 CA SER A 25 -7.883 -4.268 8.269 1.00 0.00 C ATOM 349 C SER A 25 -8.070 -2.880 7.693 1.00 0.00 C ATOM 350 O SER A 25 -7.157 -2.057 7.724 1.00 0.00 O ATOM 351 CB SER A 25 -7.543 -4.207 9.760 1.00 0.00 C ATOM 352 OG SER A 25 -8.718 -4.144 10.549 1.00 0.00 O ATOM 0 H SER A 25 -5.908 -4.661 7.788 1.00 0.00 H new ATOM 0 HA SER A 25 -8.814 -4.828 8.183 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.960 -5.085 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.921 -3.335 9.959 1.00 0.00 H new ATOM 0 HG SER A 25 -8.474 -4.108 11.497 1.00 0.00 H new ATOM 358 N VAL A 26 -9.238 -2.638 7.125 1.00 0.00 N ATOM 359 CA VAL A 26 -9.511 -1.361 6.498 1.00 0.00 C ATOM 360 C VAL A 26 -10.322 -0.453 7.411 1.00 0.00 C ATOM 361 O VAL A 26 -10.976 -0.914 8.345 1.00 0.00 O ATOM 362 CB VAL A 26 -10.262 -1.552 5.167 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.566 -2.303 5.393 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.518 -0.213 4.498 1.00 0.00 C ATOM 0 H VAL A 26 -10.008 -3.306 7.086 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.549 -0.888 6.303 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.637 -2.147 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.083 -2.429 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.352 -3.282 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.198 -1.737 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.049 -0.371 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.121 0.413 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.567 0.281 4.298 1.00 0.00 H new ATOM 374 N THR A 27 -10.236 0.852 7.149 1.00 0.00 N ATOM 375 CA THR A 27 -10.920 1.857 7.959 1.00 0.00 C ATOM 376 C THR A 27 -10.099 2.152 9.209 1.00 0.00 C ATOM 377 O THR A 27 -10.447 3.019 10.011 1.00 0.00 O ATOM 378 CB THR A 27 -12.327 1.391 8.351 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.911 0.618 7.316 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.272 2.532 8.662 1.00 0.00 C ATOM 0 H THR A 27 -9.695 1.238 6.376 1.00 0.00 H new ATOM 0 HA THR A 27 -11.021 2.766 7.366 1.00 0.00 H new ATOM 0 HB THR A 27 -12.190 0.797 9.255 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.807 0.330 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.249 2.132 8.932 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.877 3.115 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.371 3.172 7.785 1.00 0.00 H new ATOM 388 N VAL A 28 -9.001 1.415 9.360 1.00 0.00 N ATOM 389 CA VAL A 28 -8.108 1.566 10.488 1.00 0.00 C ATOM 390 C VAL A 28 -7.331 2.873 10.406 1.00 0.00 C ATOM 391 O VAL A 28 -7.184 3.575 11.407 1.00 0.00 O ATOM 392 CB VAL A 28 -7.125 0.392 10.536 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.882 -0.923 10.612 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.230 0.410 9.313 1.00 0.00 C ATOM 0 H VAL A 28 -8.712 0.696 8.697 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.712 1.580 11.395 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.504 0.491 11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.173 -1.750 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.498 -0.937 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.519 -1.027 9.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.536 -0.429 9.358 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.841 0.328 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.669 1.344 9.286 1.00 0.00 H new ATOM 404 N LEU A 29 -6.858 3.221 9.207 1.00 0.00 N ATOM 405 CA LEU A 29 -6.139 4.457 9.025 1.00 0.00 C ATOM 406 C LEU A 29 -6.958 5.373 8.159 1.00 0.00 C ATOM 407 O LEU A 29 -6.707 6.575 8.061 1.00 0.00 O ATOM 408 CB LEU A 29 -4.762 4.215 8.408 1.00 0.00 C ATOM 409 CG LEU A 29 -3.942 3.073 9.023 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.469 3.249 8.688 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.125 2.994 10.537 1.00 0.00 C ATOM 0 H LEU A 29 -6.965 2.661 8.362 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.976 4.920 9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.892 4.011 7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.183 5.135 8.487 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.305 2.139 8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.896 2.434 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.338 3.241 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.116 4.199 9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.528 2.173 10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.802 3.930 10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.176 2.823 10.768 1.00 0.00 H new ATOM 423 N PHE A 30 -7.953 4.775 7.544 1.00 0.00 N ATOM 424 CA PHE A 30 -8.855 5.479 6.683 1.00 0.00 C ATOM 425 C PHE A 30 -10.292 5.279 7.158 1.00 0.00 C ATOM 426 O PHE A 30 -10.526 4.780 8.258 1.00 0.00 O ATOM 427 CB PHE A 30 -8.696 4.959 5.264 1.00 0.00 C ATOM 428 CG PHE A 30 -8.872 5.905 4.251 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.198 7.219 4.436 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.606 5.427 3.062 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.242 8.033 3.352 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.648 6.170 2.016 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.961 7.500 2.113 1.00 0.00 C ATOM 0 H PHE A 30 -8.154 3.779 7.633 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.627 6.545 6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.700 4.527 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.411 4.151 5.110 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.416 7.601 5.423 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.345 4.384 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.492 9.078 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.434 5.741 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.987 8.122 1.231 1.00 0.00 H new ATOM 443 N ASP A 31 -11.251 5.652 6.319 1.00 0.00 N ATOM 444 CA ASP A 31 -12.659 5.491 6.654 1.00 0.00 C ATOM 445 C ASP A 31 -13.229 4.258 5.959 1.00 0.00 C ATOM 446 O ASP A 31 -14.235 3.695 6.393 1.00 0.00 O ATOM 447 CB ASP A 31 -13.450 6.737 6.251 1.00 0.00 C ATOM 448 CG ASP A 31 -13.644 7.698 7.407 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.777 8.577 7.600 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.662 7.572 8.120 1.00 0.00 O ATOM 0 H ASP A 31 -11.079 6.067 5.403 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.746 5.358 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.930 7.248 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.424 6.436 5.865 1.00 0.00 H new ATOM 455 N LYS A 32 -12.574 3.841 4.877 1.00 0.00 N ATOM 456 CA LYS A 32 -13.002 2.674 4.117 1.00 0.00 C ATOM 457 C LYS A 32 -11.925 2.251 3.119 1.00 0.00 C ATOM 458 O LYS A 32 -12.234 1.846 1.997 1.00 0.00 O ATOM 459 CB LYS A 32 -14.325 2.942 3.375 1.00 0.00 C ATOM 460 CG LYS A 32 -14.684 4.414 3.214 1.00 0.00 C ATOM 461 CD LYS A 32 -13.763 5.109 2.227 1.00 0.00 C ATOM 462 CE LYS A 32 -12.688 5.913 2.938 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.646 7.328 2.470 1.00 0.00 N ATOM 0 H LYS A 32 -11.741 4.299 4.508 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.164 1.864 4.828 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.269 2.487 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.132 2.443 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.716 4.502 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.623 4.912 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.295 4.367 1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.347 5.769 1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.871 5.892 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.717 5.447 2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.674 7.574 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.277 7.442 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.958 7.957 3.237 1.00 0.00 H new ATOM 477 N GLY A 33 -10.655 2.346 3.523 1.00 0.00 N ATOM 478 CA GLY A 33 -9.571 1.964 2.628 1.00 0.00 C ATOM 479 C GLY A 33 -9.727 2.637 1.263 1.00 0.00 C ATOM 480 O GLY A 33 -9.419 3.813 1.111 1.00 0.00 O ATOM 0 H GLY A 33 -10.361 2.676 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.614 2.244 3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.560 0.881 2.505 1.00 0.00 H new ATOM 484 N GLY A 34 -10.232 1.893 0.276 1.00 0.00 N ATOM 485 CA GLY A 34 -10.435 2.454 -1.058 1.00 0.00 C ATOM 486 C GLY A 34 -11.304 3.699 -1.028 1.00 0.00 C ATOM 487 O GLY A 34 -12.008 3.923 -0.049 1.00 0.00 O ATOM 0 H GLY A 34 -10.504 0.915 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.469 2.698 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.898 1.704 -1.699 1.00 0.00 H new ATOM 491 N VAL A 35 -11.232 4.525 -2.087 1.00 0.00 N ATOM 492 CA VAL A 35 -11.985 5.768 -2.171 1.00 0.00 C ATOM 493 C VAL A 35 -11.241 6.663 -3.131 1.00 0.00 C ATOM 494 O VAL A 35 -10.356 6.193 -3.838 1.00 0.00 O ATOM 495 CB VAL A 35 -12.069 6.441 -0.785 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.669 6.645 -0.208 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.898 7.723 -0.786 1.00 0.00 C ATOM 0 H VAL A 35 -10.648 4.341 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.003 5.581 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.610 5.762 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.744 7.121 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.174 5.679 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.089 7.281 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.916 8.145 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.454 8.443 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.916 7.498 -1.104 1.00 0.00 H new ATOM 604 N GLY A 42 -8.041 7.618 -6.747 1.00 0.00 N ATOM 605 CA GLY A 42 -8.648 6.875 -5.679 1.00 0.00 C ATOM 606 C GLY A 42 -7.852 7.049 -4.412 1.00 0.00 C ATOM 607 O GLY A 42 -7.782 8.146 -3.857 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.672 7.215 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.700 5.819 -5.943 1.00 0.00 H new ATOM 611 N GLY A 43 -7.184 5.989 -3.996 1.00 0.00 N ATOM 612 CA GLY A 43 -6.324 6.096 -2.834 1.00 0.00 C ATOM 613 C GLY A 43 -6.765 5.366 -1.570 1.00 0.00 C ATOM 614 O GLY A 43 -7.324 5.976 -0.662 1.00 0.00 O ATOM 0 H GLY A 43 -7.218 5.068 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.336 5.727 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.213 7.153 -2.592 1.00 0.00 H new ATOM 618 N ILE A 44 -6.467 4.071 -1.500 1.00 0.00 N ATOM 619 CA ILE A 44 -6.779 3.252 -0.317 1.00 0.00 C ATOM 620 C ILE A 44 -5.798 3.498 0.817 1.00 0.00 C ATOM 621 O ILE A 44 -4.584 3.431 0.640 1.00 0.00 O ATOM 622 CB ILE A 44 -6.750 1.728 -0.589 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.257 0.948 0.625 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.337 1.252 -0.927 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.275 -0.116 0.278 1.00 0.00 C ATOM 0 H ILE A 44 -6.006 3.557 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.790 3.559 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.404 1.542 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.410 0.479 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.700 1.646 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.350 0.178 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.982 1.770 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.671 1.468 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.590 -0.628 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.140 0.349 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.829 -0.836 -0.408 1.00 0.00 H new ATOM 637 N TYR A 45 -6.345 3.694 1.995 1.00 0.00 N ATOM 638 CA TYR A 45 -5.539 3.864 3.199 1.00 0.00 C ATOM 639 C TYR A 45 -5.959 2.828 4.217 1.00 0.00 C ATOM 640 O TYR A 45 -7.138 2.501 4.326 1.00 0.00 O ATOM 641 CB TYR A 45 -5.602 5.269 3.763 1.00 0.00 C ATOM 642 CG TYR A 45 -5.105 6.335 2.842 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.662 6.503 1.592 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.095 7.191 3.237 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.226 7.494 0.752 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.652 8.189 2.407 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.219 8.341 1.160 1.00 0.00 C ATOM 648 OH TYR A 45 -3.780 9.340 0.322 1.00 0.00 O ATOM 0 H TYR A 45 -7.352 3.741 2.153 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.492 3.713 2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.635 5.492 4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.019 5.303 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.454 5.843 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.648 7.073 4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.670 7.611 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.863 8.852 2.729 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.067 9.847 0.763 1.00 0.00 H new ATOM 658 N VAL A 46 -4.988 2.214 4.872 1.00 0.00 N ATOM 659 CA VAL A 46 -5.300 1.113 5.745 1.00 0.00 C ATOM 660 C VAL A 46 -4.208 0.758 6.761 1.00 0.00 C ATOM 661 O VAL A 46 -3.180 1.424 6.837 1.00 0.00 O ATOM 662 CB VAL A 46 -5.451 -0.052 4.787 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.096 -0.600 4.404 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.409 -1.080 5.340 1.00 0.00 C ATOM 0 H VAL A 46 -3.999 2.458 4.814 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.172 1.360 6.350 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.903 0.291 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.223 -1.436 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.510 0.182 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.576 -0.942 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.502 -1.907 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.031 -1.454 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.386 -0.622 5.492 1.00 0.00 H new ATOM 674 N LYS A 47 -4.406 -0.377 7.465 1.00 0.00 N ATOM 675 CA LYS A 47 -3.383 -0.895 8.388 1.00 0.00 C ATOM 676 C LYS A 47 -2.536 -1.835 7.558 1.00 0.00 C ATOM 677 O LYS A 47 -1.380 -2.134 7.858 1.00 0.00 O ATOM 678 CB LYS A 47 -3.968 -1.645 9.598 1.00 0.00 C ATOM 679 CG LYS A 47 -4.531 -3.022 9.269 1.00 0.00 C ATOM 680 CD LYS A 47 -4.644 -3.887 10.515 1.00 0.00 C ATOM 681 CE LYS A 47 -3.290 -4.100 11.173 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.116 -3.240 12.377 1.00 0.00 N ATOM 0 H LYS A 47 -5.253 -0.942 7.411 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.818 -0.066 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.190 -1.754 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.758 -1.038 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.513 -2.915 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.889 -3.515 8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.324 -3.416 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.077 -4.852 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.185 -5.147 11.457 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.499 -3.883 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.134 -2.900 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.762 -2.427 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.331 -3.792 13.232 1.00 0.00 H new ATOM 696 N ALA A 48 -3.162 -2.226 6.455 1.00 0.00 N ATOM 697 CA ALA A 48 -2.619 -3.036 5.450 1.00 0.00 C ATOM 698 C ALA A 48 -2.692 -4.515 5.787 1.00 0.00 C ATOM 699 O ALA A 48 -3.703 -4.979 6.292 1.00 0.00 O ATOM 700 CB ALA A 48 -1.259 -2.526 5.172 1.00 0.00 C ATOM 0 H ALA A 48 -4.124 -1.951 6.256 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.208 -2.974 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.796 -3.130 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.320 -1.489 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.657 -2.582 6.079 1.00 0.00 H new ATOM 706 N VAL A 49 -1.665 -5.267 5.445 1.00 0.00 N ATOM 707 CA VAL A 49 -1.694 -6.690 5.618 1.00 0.00 C ATOM 708 C VAL A 49 -1.478 -7.234 7.005 1.00 0.00 C ATOM 709 O VAL A 49 -0.601 -6.822 7.765 1.00 0.00 O ATOM 710 CB VAL A 49 -0.674 -7.321 4.717 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.165 -7.259 3.299 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.673 -6.659 4.888 1.00 0.00 C ATOM 0 H VAL A 49 -0.799 -4.906 5.044 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.725 -6.947 5.374 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.540 -8.369 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.428 -7.716 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.109 -7.797 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.314 -6.218 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.398 -7.132 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.592 -5.600 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.002 -6.766 5.921 1.00 0.00 H new ATOM 722 N ILE A 50 -2.315 -8.229 7.262 1.00 0.00 N ATOM 723 CA ILE A 50 -2.329 -8.996 8.491 1.00 0.00 C ATOM 724 C ILE A 50 -0.907 -9.312 8.949 1.00 0.00 C ATOM 725 O ILE A 50 0.034 -9.241 8.159 1.00 0.00 O ATOM 726 CB ILE A 50 -3.106 -10.322 8.252 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.974 -10.675 9.462 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.170 -11.466 7.900 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.362 -11.148 9.092 1.00 0.00 C ATOM 0 H ILE A 50 -3.025 -8.532 6.596 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.818 -8.409 9.269 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.764 -10.165 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.476 -11.453 10.042 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.057 -9.800 10.107 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.750 -12.375 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.622 -11.221 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.465 -11.624 8.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.921 -11.380 9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.878 -10.364 8.538 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.289 -12.041 8.472 1.00 0.00 H new ATOM 741 N PRO A 51 -0.730 -9.680 10.223 1.00 0.00 N ATOM 742 CA PRO A 51 0.579 -10.019 10.759 1.00 0.00 C ATOM 743 C PRO A 51 1.013 -11.419 10.387 1.00 0.00 C ATOM 744 O PRO A 51 2.201 -11.738 10.336 1.00 0.00 O ATOM 745 CB PRO A 51 0.399 -9.908 12.279 1.00 0.00 C ATOM 746 CG PRO A 51 -1.018 -9.472 12.501 1.00 0.00 C ATOM 747 CD PRO A 51 -1.770 -9.801 11.244 1.00 0.00 C ATOM 0 HA PRO A 51 1.352 -9.362 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.593 -10.864 12.765 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.099 -9.188 12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.452 -9.987 13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.066 -8.404 12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.196 -10.804 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.594 -9.110 11.070 1.00 0.00 H new ATOM 755 N GLN A 52 0.029 -12.237 10.152 1.00 0.00 N ATOM 756 CA GLN A 52 0.245 -13.636 9.798 1.00 0.00 C ATOM 757 C GLN A 52 0.321 -13.858 8.290 1.00 0.00 C ATOM 758 O GLN A 52 0.199 -14.989 7.819 1.00 0.00 O ATOM 759 CB GLN A 52 -0.854 -14.513 10.402 1.00 0.00 C ATOM 760 CG GLN A 52 -2.239 -14.220 9.849 1.00 0.00 C ATOM 761 CD GLN A 52 -3.317 -15.062 10.502 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.121 -16.249 10.764 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.466 -14.451 10.768 1.00 0.00 N ATOM 0 H GLN A 52 -0.953 -11.966 10.197 1.00 0.00 H new ATOM 0 HA GLN A 52 1.212 -13.920 10.213 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.613 -15.560 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.866 -14.373 11.483 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.469 -13.165 9.995 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.243 -14.401 8.774 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.586 -13.465 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.229 -14.967 11.206 1.00 0.00 H new ATOM 772 N GLY A 53 0.548 -12.791 7.540 1.00 0.00 N ATOM 773 CA GLY A 53 0.663 -12.920 6.098 1.00 0.00 C ATOM 774 C GLY A 53 -0.608 -12.553 5.357 1.00 0.00 C ATOM 775 O GLY A 53 -0.853 -11.384 5.073 1.00 0.00 O ATOM 0 H GLY A 53 0.655 -11.842 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.476 -12.284 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.934 -13.947 5.853 1.00 0.00 H new ATOM 779 N ALA A 54 -1.427 -13.555 5.060 1.00 0.00 N ATOM 780 CA ALA A 54 -2.686 -13.355 4.363 1.00 0.00 C ATOM 781 C ALA A 54 -2.571 -12.321 3.224 1.00 0.00 C ATOM 782 O ALA A 54 -1.929 -12.605 2.214 1.00 0.00 O ATOM 783 CB ALA A 54 -3.744 -13.016 5.379 1.00 0.00 C ATOM 0 H ALA A 54 -1.234 -14.528 5.297 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.976 -14.276 3.857 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.698 -12.862 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.839 -13.835 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.462 -12.105 5.908 1.00 0.00 H new ATOM 789 N ALA A 55 -3.171 -11.122 3.363 1.00 0.00 N ATOM 790 CA ALA A 55 -3.070 -10.110 2.310 1.00 0.00 C ATOM 791 C ALA A 55 -1.614 -9.890 1.992 1.00 0.00 C ATOM 792 O ALA A 55 -1.216 -9.670 0.854 1.00 0.00 O ATOM 793 CB ALA A 55 -3.731 -8.811 2.728 1.00 0.00 C ATOM 0 H ALA A 55 -3.717 -10.841 4.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.593 -10.463 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.639 -8.081 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.786 -8.990 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.244 -8.427 3.625 1.00 0.00 H new ATOM 799 N GLU A 56 -0.835 -9.974 3.045 1.00 0.00 N ATOM 800 CA GLU A 56 0.610 -9.817 2.973 1.00 0.00 C ATOM 801 C GLU A 56 1.170 -10.834 1.977 1.00 0.00 C ATOM 802 O GLU A 56 2.136 -10.568 1.261 1.00 0.00 O ATOM 803 CB GLU A 56 1.201 -10.006 4.365 1.00 0.00 C ATOM 804 CG GLU A 56 2.568 -9.365 4.548 1.00 0.00 C ATOM 805 CD GLU A 56 2.735 -8.724 5.911 1.00 0.00 C ATOM 806 OE1 GLU A 56 2.541 -9.427 6.925 1.00 0.00 O ATOM 807 OE2 GLU A 56 3.060 -7.519 5.965 1.00 0.00 O ATOM 0 H GLU A 56 -1.183 -10.155 3.987 1.00 0.00 H new ATOM 0 HA GLU A 56 0.876 -8.819 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.514 -9.588 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.280 -11.073 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.341 -10.121 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.718 -8.611 3.775 1.00 0.00 H new ATOM 814 N SER A 57 0.490 -11.971 1.902 1.00 0.00 N ATOM 815 CA SER A 57 0.811 -13.035 0.962 1.00 0.00 C ATOM 816 C SER A 57 0.258 -12.599 -0.370 1.00 0.00 C ATOM 817 O SER A 57 0.925 -12.683 -1.400 1.00 0.00 O ATOM 818 CB SER A 57 0.192 -14.365 1.398 1.00 0.00 C ATOM 819 OG SER A 57 0.352 -14.570 2.791 1.00 0.00 O ATOM 0 H SER A 57 -0.309 -12.182 2.500 1.00 0.00 H new ATOM 0 HA SER A 57 1.887 -13.199 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.868 -14.376 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.659 -15.184 0.851 1.00 0.00 H new ATOM 0 HG SER A 57 -0.053 -15.425 3.044 1.00 0.00 H new ATOM 825 N ASP A 58 -0.942 -12.013 -0.309 1.00 0.00 N ATOM 826 CA ASP A 58 -1.558 -11.428 -1.477 1.00 0.00 C ATOM 827 C ASP A 58 -0.608 -10.351 -1.956 1.00 0.00 C ATOM 828 O ASP A 58 -0.616 -9.952 -3.119 1.00 0.00 O ATOM 829 CB ASP A 58 -2.930 -10.834 -1.133 1.00 0.00 C ATOM 830 CG ASP A 58 -3.449 -9.888 -2.194 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.297 -10.198 -3.394 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.011 -8.837 -1.821 1.00 0.00 O ATOM 0 H ASP A 58 -1.497 -11.937 0.543 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.730 -12.177 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.646 -11.644 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.862 -10.304 -0.183 1.00 0.00 H new ATOM 837 N GLY A 59 0.215 -9.881 -1.011 1.00 0.00 N ATOM 838 CA GLY A 59 1.169 -8.844 -1.323 1.00 0.00 C ATOM 839 C GLY A 59 0.481 -7.527 -1.486 1.00 0.00 C ATOM 840 O GLY A 59 0.666 -6.849 -2.486 1.00 0.00 O ATOM 0 H GLY A 59 0.231 -10.204 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.913 -8.776 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.703 -9.097 -2.239 1.00 0.00 H new ATOM 844 N ARG A 60 -0.311 -7.172 -0.485 1.00 0.00 N ATOM 845 CA ARG A 60 -1.051 -5.924 -0.490 1.00 0.00 C ATOM 846 C ARG A 60 -0.603 -5.101 0.689 1.00 0.00 C ATOM 847 O ARG A 60 -1.393 -4.738 1.560 1.00 0.00 O ATOM 848 CB ARG A 60 -2.556 -6.203 -0.415 1.00 0.00 C ATOM 849 CG ARG A 60 -3.419 -5.014 -0.806 1.00 0.00 C ATOM 850 CD ARG A 60 -3.980 -4.304 0.416 1.00 0.00 C ATOM 851 NE ARG A 60 -5.441 -4.317 0.434 1.00 0.00 N ATOM 852 CZ ARG A 60 -6.200 -3.443 -0.226 1.00 0.00 C ATOM 853 NH1 ARG A 60 -5.641 -2.484 -0.955 1.00 0.00 N ATOM 854 NH2 ARG A 60 -7.521 -3.528 -0.155 1.00 0.00 N ATOM 0 H ARG A 60 -0.457 -7.740 0.349 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.858 -5.376 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.794 -7.043 -1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.810 -6.506 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.828 -4.313 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.239 -5.352 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.602 -4.783 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.626 -3.273 0.430 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.908 -5.038 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.625 -2.413 -1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.228 -1.818 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.955 -4.262 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.103 -2.859 -0.660 1.00 0.00 H new ATOM 868 N ILE A 61 0.695 -4.869 0.738 1.00 0.00 N ATOM 869 CA ILE A 61 1.299 -4.183 1.793 1.00 0.00 C ATOM 870 C ILE A 61 1.389 -2.696 1.602 1.00 0.00 C ATOM 871 O ILE A 61 1.699 -2.198 0.521 1.00 0.00 O ATOM 872 CB ILE A 61 2.700 -4.703 2.000 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.373 -5.175 0.700 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.665 -5.823 3.009 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.408 -4.128 -0.395 1.00 0.00 C ATOM 0 H ILE A 61 1.347 -5.171 0.014 1.00 0.00 H new ATOM 0 HA ILE A 61 0.656 -4.361 2.655 1.00 0.00 H new ATOM 0 HB ILE A 61 3.305 -3.874 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.394 -5.485 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.847 -6.055 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.674 -6.205 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.269 -5.450 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.027 -6.626 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.898 -4.540 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.390 -3.834 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.961 -3.256 -0.047 1.00 0.00 H new ATOM 887 N HIS A 62 1.167 -2.024 2.713 1.00 0.00 N ATOM 888 CA HIS A 62 1.251 -0.590 2.833 1.00 0.00 C ATOM 889 C HIS A 62 0.027 -0.054 3.551 1.00 0.00 C ATOM 890 O HIS A 62 -1.075 -0.030 3.004 1.00 0.00 O ATOM 891 CB HIS A 62 1.439 0.140 1.503 1.00 0.00 C ATOM 892 CG HIS A 62 2.883 0.378 1.184 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.446 1.636 1.141 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.887 -0.491 0.920 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.734 1.531 0.864 1.00 0.00 C ATOM 896 NE2 HIS A 62 5.027 0.251 0.725 1.00 0.00 N ATOM 0 H HIS A 62 0.914 -2.483 3.588 1.00 0.00 H new ATOM 0 HA HIS A 62 2.151 -0.391 3.415 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.984 -0.444 0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.915 1.095 1.538 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.946 2.511 1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.807 -1.567 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.429 2.352 0.768 1.00 0.00 H new ATOM 905 N LYS A 63 0.238 0.375 4.778 1.00 0.00 N ATOM 906 CA LYS A 63 -0.833 0.919 5.596 1.00 0.00 C ATOM 907 C LYS A 63 -1.034 2.379 5.261 1.00 0.00 C ATOM 908 O LYS A 63 -0.170 3.206 5.556 1.00 0.00 O ATOM 909 CB LYS A 63 -0.494 0.771 7.078 1.00 0.00 C ATOM 910 CG LYS A 63 0.903 1.254 7.433 1.00 0.00 C ATOM 911 CD LYS A 63 0.902 2.076 8.712 1.00 0.00 C ATOM 912 CE LYS A 63 2.132 2.965 8.805 1.00 0.00 C ATOM 913 NZ LYS A 63 1.821 4.382 8.467 1.00 0.00 N ATOM 0 H LYS A 63 1.149 0.358 5.237 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.751 0.369 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.223 1.328 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.590 -0.277 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.566 0.397 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.300 1.854 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.003 2.692 8.749 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.868 1.410 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.541 2.914 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.902 2.591 8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.686 4.955 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.454 4.435 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.105 4.747 9.127 1.00 0.00 H new ATOM 927 N GLY A 64 -2.153 2.710 4.627 1.00 0.00 N ATOM 928 CA GLY A 64 -2.355 4.102 4.273 1.00 0.00 C ATOM 929 C GLY A 64 -1.547 4.469 3.061 1.00 0.00 C ATOM 930 O GLY A 64 -0.332 4.623 3.135 1.00 0.00 O ATOM 0 H GLY A 64 -2.899 2.067 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.412 4.282 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.072 4.739 5.111 1.00 0.00 H new ATOM 934 N ASP A 65 -2.228 4.576 1.940 1.00 0.00 N ATOM 935 CA ASP A 65 -1.570 4.893 0.672 1.00 0.00 C ATOM 936 C ASP A 65 -2.601 5.209 -0.400 1.00 0.00 C ATOM 937 O ASP A 65 -3.780 5.354 -0.083 1.00 0.00 O ATOM 938 CB ASP A 65 -0.720 3.709 0.255 1.00 0.00 C ATOM 939 CG ASP A 65 0.753 4.048 0.162 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.102 4.989 -0.582 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.559 3.372 0.835 1.00 0.00 O ATOM 0 H ASP A 65 -3.238 4.450 1.872 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.939 5.772 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.857 2.899 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.065 3.342 -0.711 1.00 0.00 H new ATOM 946 N ARG A 66 -2.190 5.336 -1.673 1.00 0.00 N ATOM 947 CA ARG A 66 -3.188 5.642 -2.690 1.00 0.00 C ATOM 948 C ARG A 66 -3.176 4.748 -3.946 1.00 0.00 C ATOM 949 O ARG A 66 -2.313 4.860 -4.810 1.00 0.00 O ATOM 950 CB ARG A 66 -3.049 7.104 -3.119 1.00 0.00 C ATOM 951 CG ARG A 66 -2.928 8.072 -1.952 1.00 0.00 C ATOM 952 CD ARG A 66 -1.521 8.639 -1.837 1.00 0.00 C ATOM 953 NE ARG A 66 -1.529 10.067 -1.532 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.748 11.017 -2.438 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.977 10.695 -3.705 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.739 12.293 -2.076 1.00 0.00 N ATOM 0 H ARG A 66 -1.230 5.237 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.143 5.440 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.171 7.205 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.914 7.381 -3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.640 8.887 -2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.192 7.561 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.978 8.105 -1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.985 8.471 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.357 10.353 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.986 9.715 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.144 11.427 -4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.564 12.546 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.907 13.021 -2.770 1.00 0.00 H new ATOM 970 N VAL A 67 -4.198 3.901 -4.033 1.00 0.00 N ATOM 971 CA VAL A 67 -4.459 3.011 -5.097 1.00 0.00 C ATOM 972 C VAL A 67 -5.095 3.609 -6.309 1.00 0.00 C ATOM 973 O VAL A 67 -6.015 4.422 -6.232 1.00 0.00 O ATOM 974 CB VAL A 67 -5.380 1.894 -4.667 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.535 0.727 -4.449 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.186 2.216 -3.447 1.00 0.00 C ATOM 0 H VAL A 67 -4.900 3.835 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.459 2.669 -5.364 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.124 1.718 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.152 -0.115 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.019 0.473 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.801 0.949 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.824 1.368 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.516 2.424 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.806 3.091 -3.641 1.00 0.00 H new ATOM 986 N LEU A 68 -4.645 3.104 -7.431 1.00 0.00 N ATOM 987 CA LEU A 68 -5.224 3.488 -8.687 1.00 0.00 C ATOM 988 C LEU A 68 -6.444 2.599 -8.933 1.00 0.00 C ATOM 989 O LEU A 68 -7.531 3.099 -9.223 1.00 0.00 O ATOM 990 CB LEU A 68 -4.217 3.375 -9.839 1.00 0.00 C ATOM 991 CG LEU A 68 -3.411 2.076 -9.902 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.075 1.730 -11.344 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.141 2.197 -9.074 1.00 0.00 C ATOM 0 H LEU A 68 -3.883 2.429 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.522 4.536 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.756 3.490 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.519 4.209 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.018 1.272 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.502 0.803 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.997 1.603 -11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.486 2.535 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.580 1.264 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.530 3.012 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.402 2.402 -8.036 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.274 1.276 -8.768 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.378 0.343 -8.924 1.00 0.00 C ATOM 1007 C ALA A 69 -7.367 -0.640 -7.777 1.00 0.00 C ATOM 1008 O ALA A 69 -6.302 -0.977 -7.287 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.298 -0.379 -10.262 1.00 0.00 C ATOM 0 H ALA A 69 -5.383 0.841 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.317 0.897 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.135 -1.071 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.340 0.350 -11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.361 -0.934 -10.321 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.525 -1.124 -7.381 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.617 -2.103 -6.321 1.00 0.00 C ATOM 1017 C VAL A 70 -9.338 -3.334 -6.841 1.00 0.00 C ATOM 1018 O VAL A 70 -10.244 -3.230 -7.665 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.331 -1.541 -5.095 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.773 -1.301 -5.439 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.192 -2.478 -3.905 1.00 0.00 C ATOM 0 H VAL A 70 -9.423 -0.852 -7.782 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.608 -2.372 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.871 -0.595 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.293 -0.899 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.837 -0.588 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.237 -2.241 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.710 -2.053 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.630 -3.446 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.137 -2.608 -3.665 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.910 -4.495 -6.389 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.485 -5.759 -6.843 1.00 0.00 C ATOM 1033 C ASN A 71 -9.566 -5.797 -8.361 1.00 0.00 C ATOM 1034 O ASN A 71 -10.287 -6.612 -8.937 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.874 -5.930 -6.272 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.519 -7.246 -6.661 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.834 -8.207 -7.010 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.845 -7.296 -6.603 1.00 0.00 N ATOM 0 H ASN A 71 -8.162 -4.597 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.841 -6.568 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.824 -5.864 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.504 -5.109 -6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.334 -8.155 -6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.374 -6.475 -6.308 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.838 -4.899 -9.008 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.872 -4.848 -10.456 1.00 0.00 C ATOM 1047 C GLY A 72 -9.728 -3.710 -10.963 1.00 0.00 C ATOM 1048 O GLY A 72 -9.547 -3.247 -12.090 1.00 0.00 O ATOM 0 H GLY A 72 -8.230 -4.211 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.857 -4.737 -10.839 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.257 -5.791 -10.843 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.640 -3.227 -10.124 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.482 -2.110 -10.505 1.00 0.00 C ATOM 1054 C VAL A 73 -10.750 -0.833 -10.171 1.00 0.00 C ATOM 1055 O VAL A 73 -10.082 -0.756 -9.154 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.879 -2.110 -9.802 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.655 -0.835 -10.123 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.674 -3.341 -10.213 1.00 0.00 C ATOM 0 H VAL A 73 -10.810 -3.591 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.679 -2.197 -11.573 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.720 -2.140 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.622 -0.862 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.091 0.031 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.807 -0.763 -11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.645 -3.330 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.818 -3.337 -11.293 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.129 -4.239 -9.923 1.00 0.00 H new ATOM 1068 N SER A 74 -10.878 0.174 -11.005 1.00 0.00 N ATOM 1069 CA SER A 74 -10.210 1.427 -10.727 1.00 0.00 C ATOM 1070 C SER A 74 -11.041 2.149 -9.695 1.00 0.00 C ATOM 1071 O SER A 74 -12.185 2.515 -9.967 1.00 0.00 O ATOM 1072 CB SER A 74 -10.079 2.271 -11.998 1.00 0.00 C ATOM 1073 OG SER A 74 -9.006 1.815 -12.804 1.00 0.00 O ATOM 0 H SER A 74 -11.426 0.154 -11.865 1.00 0.00 H new ATOM 0 HA SER A 74 -9.200 1.249 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.009 2.227 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.919 3.315 -11.730 1.00 0.00 H new ATOM 0 HG SER A 74 -8.944 2.369 -13.610 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.492 2.349 -8.495 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.236 3.002 -7.486 1.00 0.00 C ATOM 1081 C LEU A 75 -10.887 4.444 -7.541 1.00 0.00 C ATOM 1082 O LEU A 75 -10.127 4.954 -6.731 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.906 2.432 -6.116 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.453 2.627 -5.700 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.349 2.875 -4.204 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.617 1.428 -6.105 1.00 0.00 C ATOM 0 H LEU A 75 -9.550 2.064 -8.228 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.304 2.855 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.552 2.900 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.135 1.366 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.065 3.505 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.303 3.011 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.912 3.771 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.757 2.020 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.583 1.586 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.006 0.533 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.661 1.303 -7.187 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.455 5.106 -8.498 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.193 6.497 -8.645 1.00 0.00 C ATOM 1100 C GLU A 76 -12.279 7.275 -7.922 1.00 0.00 C ATOM 1101 O GLU A 76 -12.706 8.341 -8.367 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.130 6.893 -10.122 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.374 8.187 -10.372 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.774 8.251 -11.763 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -9.191 7.239 -12.205 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -9.886 9.314 -12.410 1.00 0.00 O ATOM 0 H GLU A 76 -12.098 4.708 -9.183 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.222 6.731 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.655 6.090 -10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.145 6.995 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.049 9.031 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.580 8.288 -9.632 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.754 6.695 -6.822 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.818 7.286 -6.066 1.00 0.00 C ATOM 1115 C GLY A 77 -15.087 6.489 -6.241 1.00 0.00 C ATOM 1116 O GLY A 77 -16.193 6.999 -6.062 1.00 0.00 O ATOM 0 H GLY A 77 -12.407 5.813 -6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.547 7.324 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.978 8.314 -6.391 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.909 5.221 -6.599 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.019 4.315 -6.811 1.00 0.00 C ATOM 1122 C ALA A 78 -16.386 3.630 -5.521 1.00 0.00 C ATOM 1123 O ALA A 78 -17.546 3.667 -5.118 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.671 3.291 -7.879 1.00 0.00 C ATOM 0 H ALA A 78 -13.992 4.799 -6.748 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.879 4.890 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.515 2.618 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.447 3.803 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.800 2.717 -7.563 1.00 0.00 H new ATOM 1130 N THR A 79 -15.402 2.991 -4.868 1.00 0.00 N ATOM 1131 CA THR A 79 -15.656 2.297 -3.637 1.00 0.00 C ATOM 1132 C THR A 79 -17.075 1.936 -3.506 1.00 0.00 C ATOM 1133 O THR A 79 -17.492 0.944 -4.087 1.00 0.00 O ATOM 1134 CB THR A 79 -15.194 3.080 -2.435 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.058 4.462 -2.715 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.905 2.556 -1.996 1.00 0.00 C ATOM 0 H THR A 79 -14.434 2.952 -5.186 1.00 0.00 H new ATOM 0 HA THR A 79 -15.071 1.378 -3.673 1.00 0.00 H new ATOM 0 HB THR A 79 -15.949 2.971 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.076 4.969 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.562 3.116 -1.126 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.011 1.504 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.178 2.656 -2.802 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.801 2.727 -2.729 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.200 2.463 -2.504 1.00 0.00 C ATOM 1146 C HIS A 80 -19.480 1.011 -2.872 1.00 0.00 C ATOM 1147 O HIS A 80 -19.506 0.138 -2.006 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.053 3.471 -3.284 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.403 2.978 -3.660 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.778 2.279 -4.730 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.542 3.195 -2.914 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.133 2.074 -4.639 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.571 2.638 -3.529 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.439 3.551 -2.249 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.467 2.593 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.164 4.374 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.519 3.755 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.586 3.733 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.739 1.540 -5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.537 2.643 -3.202 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.636 0.745 -4.152 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.827 -0.619 -4.605 1.00 0.00 C ATOM 1164 C LYS A 81 -18.515 -1.411 -4.796 1.00 0.00 C ATOM 1165 O LYS A 81 -18.288 -2.455 -4.191 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.614 -0.621 -5.917 1.00 0.00 C ATOM 1167 CG LYS A 81 -20.981 -2.013 -6.402 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.104 -2.060 -7.917 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.554 -1.961 -8.362 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.283 -0.880 -7.644 1.00 0.00 N ATOM 0 H LYS A 81 -19.635 1.447 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.380 -1.124 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.526 -0.039 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.025 -0.121 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.223 -2.725 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.924 -2.320 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.531 -1.242 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.671 -2.988 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.592 -1.774 -9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.053 -2.914 -8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.131 -0.614 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.565 -1.218 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.663 -0.051 -7.543 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.691 -0.901 -5.721 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.451 -1.568 -6.163 1.00 0.00 C ATOM 1186 C GLN A 82 -15.279 -1.617 -5.218 1.00 0.00 C ATOM 1187 O GLN A 82 -14.727 -2.690 -4.999 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.940 -0.874 -7.432 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.053 -0.477 -8.384 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.604 -0.379 -9.827 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -16.012 0.753 -10.188 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.788 -1.312 -10.610 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.863 -0.011 -6.188 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.773 -2.603 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.377 0.016 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.248 -1.539 -7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.860 -1.206 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.462 0.484 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.247 -2.164 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.481 -1.232 -11.579 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.835 -0.478 -4.739 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.625 -0.491 -3.907 1.00 0.00 C ATOM 1203 C ALA A 83 -13.842 -0.984 -2.517 1.00 0.00 C ATOM 1204 O ALA A 83 -13.115 -1.846 -2.020 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.856 0.823 -3.961 1.00 0.00 C ATOM 0 H ALA A 83 -15.260 0.436 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.980 -1.241 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.972 0.754 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.551 1.024 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.494 1.633 -3.607 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.844 -0.472 -1.907 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.160 -0.875 -0.569 1.00 0.00 C ATOM 1213 C VAL A 84 -15.541 -2.337 -0.561 1.00 0.00 C ATOM 1214 O VAL A 84 -15.188 -3.090 0.344 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.293 -0.034 0.038 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.158 0.547 -1.049 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.139 -0.866 0.982 1.00 0.00 C ATOM 0 H VAL A 84 -15.468 0.230 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.274 -0.715 0.045 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.841 0.780 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.956 1.140 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.552 1.182 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.593 -0.260 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.934 -0.248 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.577 -1.702 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.515 -1.247 1.790 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.756 -11.623 -1.328 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.451 -13.011 -1.029 1.00 0.00 C ATOM 1329 C GLY A 91 -9.889 -13.970 -2.123 1.00 0.00 C ATOM 1330 O GLY A 91 -9.050 -14.641 -2.724 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.377 -13.115 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.938 -13.290 -0.094 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.203 -14.041 -2.391 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.730 -14.933 -3.434 1.00 0.00 C ATOM 1336 C GLN A 92 -10.737 -15.020 -4.587 1.00 0.00 C ATOM 1337 O GLN A 92 -10.464 -16.091 -5.127 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.081 -14.425 -3.942 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.038 -12.999 -4.464 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.351 -12.267 -4.272 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.375 -12.876 -3.959 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.329 -10.952 -4.458 1.00 0.00 N ATOM 0 H GLN A 92 -11.914 -13.496 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.873 -15.926 -3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.432 -15.083 -4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.810 -14.485 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.244 -12.453 -3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.785 -13.012 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.458 -10.488 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.183 -10.406 -4.342 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.179 -13.865 -4.910 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.211 -13.691 -5.896 1.00 0.00 C ATOM 1353 C VAL A 93 -9.029 -12.213 -6.051 1.00 0.00 C ATOM 1354 O VAL A 93 -9.940 -11.502 -6.482 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.560 -14.355 -7.198 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.489 -13.507 -8.062 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.247 -14.616 -7.839 1.00 0.00 C ATOM 0 H VAL A 93 -10.428 -12.993 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.282 -14.175 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.128 -15.274 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.707 -14.036 -8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.418 -13.321 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.006 -12.557 -8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.403 -15.103 -8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.722 -13.673 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.651 -15.265 -7.197 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.904 -11.729 -5.591 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.687 -10.334 -5.578 1.00 0.00 C ATOM 1369 C VAL A 94 -6.533 -9.896 -6.435 1.00 0.00 C ATOM 1370 O VAL A 94 -5.439 -10.454 -6.420 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.429 -9.871 -4.171 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.008 -9.403 -4.123 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.410 -8.779 -3.739 1.00 0.00 C ATOM 0 H VAL A 94 -7.136 -12.291 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.592 -9.886 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.584 -10.687 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.773 -9.056 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.345 -10.227 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.870 -8.585 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.188 -8.474 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.314 -7.920 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.428 -9.164 -3.789 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.815 -8.847 -7.118 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.851 -8.168 -7.962 1.00 0.00 C ATOM 1385 C HIS A 95 -5.903 -6.671 -7.733 1.00 0.00 C ATOM 1386 O HIS A 95 -6.934 -6.050 -7.967 1.00 0.00 O ATOM 1387 CB HIS A 95 -6.072 -8.560 -9.399 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.671 -9.975 -9.567 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.399 -11.015 -9.071 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.538 -10.515 -10.032 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.707 -12.120 -9.227 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.593 -11.844 -9.820 1.00 0.00 N ATOM 0 H HIS A 95 -7.738 -8.413 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.840 -8.478 -7.698 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.119 -8.428 -9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.488 -7.920 -10.060 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -7.325 -10.947 -8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.723 -9.979 -10.496 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.020 -13.104 -8.910 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.827 -6.091 -7.227 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.819 -4.709 -6.936 1.00 0.00 C ATOM 1403 C LEU A 96 -3.701 -3.919 -7.504 1.00 0.00 C ATOM 1404 O LEU A 96 -2.557 -4.295 -7.413 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.779 -4.513 -5.448 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.941 -3.726 -5.053 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.409 -4.063 -3.643 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.680 -2.237 -5.246 1.00 0.00 C ATOM 0 H LEU A 96 -3.956 -6.578 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.729 -4.339 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.784 -5.477 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.860 -4.004 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.766 -3.996 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.276 -3.453 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.680 -5.117 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.606 -3.860 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.561 -1.671 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.829 -1.935 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.463 -2.039 -6.296 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.065 -2.754 -7.985 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.095 -1.807 -8.460 1.00 0.00 C ATOM 1422 C LEU A 97 -3.084 -0.618 -7.512 1.00 0.00 C ATOM 1423 O LEU A 97 -4.071 0.107 -7.393 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.426 -1.358 -9.873 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.943 -2.321 -10.935 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.434 -1.902 -12.313 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.425 -2.404 -10.894 1.00 0.00 C ATOM 0 H LEU A 97 -5.033 -2.441 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.110 -2.272 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.505 -1.238 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.980 -0.379 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.354 -3.310 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.073 -2.610 -13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.524 -1.889 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.057 -0.906 -12.546 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.078 -3.098 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.001 -1.417 -11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.106 -2.757 -9.913 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.969 -0.449 -6.824 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.810 0.627 -5.844 1.00 0.00 C ATOM 1441 C LEU A 98 -0.800 1.654 -6.286 1.00 0.00 C ATOM 1442 O LEU A 98 0.137 1.350 -7.018 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.387 0.030 -4.508 1.00 0.00 C ATOM 1444 CG LEU A 98 0.017 0.391 -4.002 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.039 1.658 -3.156 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.552 -0.795 -3.227 1.00 0.00 C ATOM 0 H LEU A 98 -1.148 -1.047 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.769 1.136 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.110 0.340 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.452 -1.055 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 98 0.691 0.602 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.962 1.904 -2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.424 2.481 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.696 1.496 -2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.551 -0.566 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.108 -1.008 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.599 -1.666 -3.881 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.981 2.867 -5.796 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.055 3.942 -6.106 1.00 0.00 C ATOM 1460 C GLU A 99 0.480 4.593 -4.843 1.00 0.00 C ATOM 1461 O GLU A 99 -0.253 5.189 -4.056 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.678 4.997 -7.012 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.566 4.671 -8.492 1.00 0.00 C ATOM 1464 CD GLU A 99 0.328 5.641 -9.239 1.00 0.00 C ATOM 1465 OE1 GLU A 99 0.419 6.813 -8.814 1.00 0.00 O ATOM 1466 OE2 GLU A 99 0.937 5.231 -10.249 1.00 0.00 O ATOM 0 H GLU A 99 -1.755 3.132 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 99 0.775 3.486 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.730 5.111 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.197 5.957 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.176 3.660 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.560 4.682 -8.939 1.00 0.00 H new