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= -0.348 X(o=-0.35,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 -147:sc= -1.34! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.892 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -2.22! (180deg=-2.57!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc=-0.00644 (180deg=-0.0211) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.769 K(o=-0.77,f=-5.2!) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= -0.0934 (180deg=-0.392) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.03! F(o=-2.3,f=-1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.47 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.81 F(o=-5.1!,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -4.93! C(o=-6.7!,f=-4.9!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -10.2! C(o=-10!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.627 0.857 -3.410 1.00 0.00 N ATOM 97 CA GLY A 8 7.192 2.190 -3.293 1.00 0.00 C ATOM 98 C GLY A 8 6.772 3.061 -4.458 1.00 0.00 C ATOM 99 O GLY A 8 7.483 3.985 -4.850 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.867 2.646 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.279 2.126 -3.256 1.00 0.00 H new ATOM 103 N ASP A 9 5.615 2.731 -5.026 1.00 0.00 N ATOM 104 CA ASP A 9 5.067 3.424 -6.168 1.00 0.00 C ATOM 105 C ASP A 9 3.850 2.656 -6.609 1.00 0.00 C ATOM 106 O ASP A 9 3.063 2.194 -5.782 1.00 0.00 O ATOM 107 CB ASP A 9 6.104 3.503 -7.281 1.00 0.00 C ATOM 108 CG ASP A 9 6.223 4.896 -7.869 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.448 5.218 -8.795 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.089 5.665 -7.403 1.00 0.00 O ATOM 0 H ASP A 9 5.031 1.963 -4.695 1.00 0.00 H new ATOM 0 HA ASP A 9 4.792 4.448 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.074 3.193 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.838 2.801 -8.071 1.00 0.00 H new ATOM 115 N ILE A 10 3.701 2.503 -7.889 1.00 0.00 N ATOM 116 CA ILE A 10 2.583 1.770 -8.405 1.00 0.00 C ATOM 117 C ILE A 10 2.864 0.267 -8.286 1.00 0.00 C ATOM 118 O ILE A 10 3.588 -0.330 -9.082 1.00 0.00 O ATOM 119 CB ILE A 10 2.354 2.193 -9.871 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.867 2.130 -10.226 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.184 1.364 -10.845 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.229 0.789 -9.930 1.00 0.00 C ATOM 0 H ILE A 10 4.337 2.874 -8.595 1.00 0.00 H new ATOM 0 HA ILE A 10 1.679 1.986 -7.836 1.00 0.00 H new ATOM 0 HB ILE A 10 2.689 3.226 -9.966 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.337 2.905 -9.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.745 2.355 -11.286 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.990 1.698 -11.864 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.243 1.488 -10.618 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.914 0.312 -10.750 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.825 0.818 -10.207 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.733 0.012 -10.504 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.319 0.570 -8.866 1.00 0.00 H new ATOM 134 N PHE A 11 2.274 -0.326 -7.256 1.00 0.00 N ATOM 135 CA PHE A 11 2.424 -1.748 -6.973 1.00 0.00 C ATOM 136 C PHE A 11 1.070 -2.450 -7.036 1.00 0.00 C ATOM 137 O PHE A 11 0.079 -1.899 -6.582 1.00 0.00 O ATOM 138 CB PHE A 11 3.084 -1.933 -5.603 1.00 0.00 C ATOM 139 CG PHE A 11 2.956 -3.307 -5.043 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.320 -4.409 -5.793 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.472 -3.494 -3.763 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.201 -5.676 -5.274 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.351 -4.757 -3.240 1.00 0.00 C ATOM 144 CZ PHE A 11 2.715 -5.848 -3.996 1.00 0.00 C ATOM 0 H PHE A 11 1.677 0.166 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 11 3.065 -2.201 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.142 -1.684 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.643 -1.225 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.701 -4.274 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.186 -2.639 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.487 -6.533 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.971 -4.894 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.619 -6.843 -3.586 1.00 0.00 H new ATOM 154 N GLU A 12 1.024 -3.667 -7.563 1.00 0.00 N ATOM 155 CA GLU A 12 -0.223 -4.403 -7.635 1.00 0.00 C ATOM 156 C GLU A 12 -0.154 -5.655 -6.763 1.00 0.00 C ATOM 157 O GLU A 12 0.933 -6.193 -6.562 1.00 0.00 O ATOM 158 CB GLU A 12 -0.590 -4.734 -9.090 1.00 0.00 C ATOM 159 CG GLU A 12 -0.548 -6.219 -9.433 1.00 0.00 C ATOM 160 CD GLU A 12 -0.661 -6.476 -10.922 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.759 -6.266 -11.479 1.00 0.00 O ATOM 162 OE2 GLU A 12 0.349 -6.887 -11.532 1.00 0.00 O ATOM 0 H GLU A 12 1.832 -4.159 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.021 -3.771 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.592 -4.356 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.092 -4.202 -9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.384 -6.647 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.360 -6.731 -8.917 1.00 0.00 H new ATOM 169 N VAL A 13 -1.292 -6.136 -6.224 1.00 0.00 N ATOM 170 CA VAL A 13 -1.237 -7.305 -5.389 1.00 0.00 C ATOM 171 C VAL A 13 -2.166 -8.363 -5.929 1.00 0.00 C ATOM 172 O VAL A 13 -3.388 -8.214 -5.904 1.00 0.00 O ATOM 173 CB VAL A 13 -1.613 -6.952 -3.933 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.183 -5.532 -3.586 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.102 -7.128 -3.681 1.00 0.00 C ATOM 0 H VAL A 13 -2.220 -5.735 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.218 -7.691 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.077 -7.646 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.460 -5.310 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.103 -5.441 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.678 -4.828 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.329 -6.870 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.664 -6.475 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.382 -8.165 -3.867 1.00 0.00 H new ATOM 185 N GLU A 14 -1.586 -9.422 -6.444 1.00 0.00 N ATOM 186 CA GLU A 14 -2.371 -10.477 -6.998 1.00 0.00 C ATOM 187 C GLU A 14 -2.223 -11.803 -6.249 1.00 0.00 C ATOM 188 O GLU A 14 -1.120 -12.322 -6.096 1.00 0.00 O ATOM 189 CB GLU A 14 -1.983 -10.699 -8.429 1.00 0.00 C ATOM 190 CG GLU A 14 -0.610 -11.319 -8.629 1.00 0.00 C ATOM 191 CD GLU A 14 0.521 -10.329 -8.427 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.582 -9.336 -9.181 1.00 0.00 O ATOM 193 OE2 GLU A 14 1.344 -10.547 -7.513 1.00 0.00 O ATOM 0 H GLU A 14 -0.577 -9.567 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.410 -10.161 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.728 -11.342 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.014 -9.743 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.487 -12.149 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.547 -11.734 -9.635 1.00 0.00 H new ATOM 200 N LEU A 15 -3.346 -12.365 -5.878 1.00 0.00 N ATOM 201 CA LEU A 15 -3.432 -13.675 -5.229 1.00 0.00 C ATOM 202 C LEU A 15 -4.688 -14.390 -5.691 1.00 0.00 C ATOM 203 O LEU A 15 -5.708 -13.755 -5.960 1.00 0.00 O ATOM 204 CB LEU A 15 -3.420 -13.581 -3.697 1.00 0.00 C ATOM 205 CG LEU A 15 -2.151 -14.143 -3.064 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.140 -15.662 -3.138 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.954 -13.555 -3.781 1.00 0.00 C ATOM 0 H LEU A 15 -4.255 -11.924 -6.017 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.546 -14.239 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.531 -12.537 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.282 -14.117 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.113 -13.871 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.226 -16.042 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.004 -16.059 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.182 -15.976 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.037 -13.947 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.993 -13.825 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.968 -12.469 -3.683 1.00 0.00 H new ATOM 219 N ALA A 16 -4.620 -15.707 -5.767 1.00 0.00 N ATOM 220 CA ALA A 16 -5.754 -16.498 -6.177 1.00 0.00 C ATOM 221 C ALA A 16 -6.269 -17.243 -4.974 1.00 0.00 C ATOM 222 O ALA A 16 -5.507 -17.970 -4.340 1.00 0.00 O ATOM 223 CB ALA A 16 -5.336 -17.458 -7.272 1.00 0.00 C ATOM 0 H ALA A 16 -3.784 -16.249 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.545 -15.861 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.195 -18.055 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.960 -16.894 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.552 -18.117 -6.899 1.00 0.00 H new ATOM 229 N LYS A 17 -7.541 -17.050 -4.628 1.00 0.00 N ATOM 230 CA LYS A 17 -8.089 -17.722 -3.450 1.00 0.00 C ATOM 231 C LYS A 17 -7.581 -19.152 -3.370 1.00 0.00 C ATOM 232 O LYS A 17 -8.162 -20.070 -3.948 1.00 0.00 O ATOM 233 CB LYS A 17 -9.611 -17.722 -3.426 1.00 0.00 C ATOM 234 CG LYS A 17 -10.161 -18.525 -2.261 1.00 0.00 C ATOM 235 CD LYS A 17 -10.966 -19.725 -2.734 1.00 0.00 C ATOM 236 CE LYS A 17 -11.872 -20.257 -1.635 1.00 0.00 C ATOM 237 NZ LYS A 17 -13.231 -19.651 -1.694 1.00 0.00 N ATOM 0 H LYS A 17 -8.196 -16.451 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.747 -17.156 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.973 -16.696 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.988 -18.135 -4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.338 -18.864 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.791 -17.885 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.568 -19.443 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.288 -20.513 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.953 -21.340 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.424 -20.050 -0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.818 -20.040 -0.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.156 -18.620 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.669 -19.870 -2.611 1.00 0.00 H new ATOM 251 N ASN A 18 -6.477 -19.317 -2.668 1.00 0.00 N ATOM 252 CA ASN A 18 -5.859 -20.637 -2.527 1.00 0.00 C ATOM 253 C ASN A 18 -5.405 -20.904 -1.098 1.00 0.00 C ATOM 254 O ASN A 18 -5.837 -21.869 -0.467 1.00 0.00 O ATOM 255 CB ASN A 18 -4.669 -20.766 -3.479 1.00 0.00 C ATOM 256 CG ASN A 18 -4.488 -22.181 -3.990 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.574 -22.436 -5.192 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.236 -23.112 -3.077 1.00 0.00 N ATOM 0 H ASN A 18 -5.986 -18.564 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.616 -21.379 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.809 -20.093 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.761 -20.449 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.105 -24.083 -3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.173 -22.856 -2.092 1.00 0.00 H new ATOM 265 N ASP A 19 -4.542 -20.039 -0.591 1.00 0.00 N ATOM 266 CA ASP A 19 -4.035 -20.166 0.769 1.00 0.00 C ATOM 267 C ASP A 19 -4.301 -18.879 1.504 1.00 0.00 C ATOM 268 O ASP A 19 -4.635 -18.860 2.689 1.00 0.00 O ATOM 269 CB ASP A 19 -2.539 -20.486 0.768 1.00 0.00 C ATOM 270 CG ASP A 19 -2.149 -21.426 1.892 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.868 -22.423 2.109 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.124 -21.164 2.556 1.00 0.00 O ATOM 0 H ASP A 19 -4.175 -19.236 -1.103 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.544 -20.989 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.267 -20.934 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.972 -19.560 0.859 1.00 0.00 H new ATOM 277 N ASN A 20 -4.192 -17.814 0.747 1.00 0.00 N ATOM 278 CA ASN A 20 -4.448 -16.485 1.218 1.00 0.00 C ATOM 279 C ASN A 20 -4.582 -15.583 0.019 1.00 0.00 C ATOM 280 O ASN A 20 -4.032 -15.872 -1.044 1.00 0.00 O ATOM 281 CB ASN A 20 -3.342 -15.973 2.136 1.00 0.00 C ATOM 282 CG ASN A 20 -3.325 -16.676 3.479 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.317 -16.669 4.209 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.195 -17.287 3.813 1.00 0.00 N ATOM 0 H ASN A 20 -3.916 -17.854 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.365 -16.493 1.807 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.377 -16.109 1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.472 -14.902 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.124 -17.776 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.398 -17.267 3.177 1.00 0.00 H new ATOM 291 N SER A 21 -5.312 -14.505 0.172 1.00 0.00 N ATOM 292 CA SER A 21 -5.500 -13.595 -0.932 1.00 0.00 C ATOM 293 C SER A 21 -6.119 -12.320 -0.396 1.00 0.00 C ATOM 294 O SER A 21 -6.972 -11.691 -1.022 1.00 0.00 O ATOM 295 CB SER A 21 -6.382 -14.271 -1.995 1.00 0.00 C ATOM 296 OG SER A 21 -6.331 -13.571 -3.226 1.00 0.00 O ATOM 0 H SER A 21 -5.780 -14.238 1.038 1.00 0.00 H new ATOM 0 HA SER A 21 -4.553 -13.341 -1.407 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.052 -15.299 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.412 -14.315 -1.642 1.00 0.00 H new ATOM 0 HG SER A 21 -7.197 -13.643 -3.680 1.00 0.00 H new ATOM 302 N LEU A 22 -5.680 -11.988 0.811 1.00 0.00 N ATOM 303 CA LEU A 22 -6.154 -10.840 1.557 1.00 0.00 C ATOM 304 C LEU A 22 -5.690 -10.985 2.993 1.00 0.00 C ATOM 305 O LEU A 22 -5.103 -11.996 3.351 1.00 0.00 O ATOM 306 CB LEU A 22 -7.661 -10.854 1.644 1.00 0.00 C ATOM 307 CG LEU A 22 -8.096 -11.500 2.956 1.00 0.00 C ATOM 308 CD1 LEU A 22 -9.001 -10.568 3.749 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.771 -12.841 2.710 1.00 0.00 C ATOM 0 H LEU A 22 -4.968 -12.525 1.306 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.787 -9.939 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.048 -9.837 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.078 -11.405 0.801 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.201 -11.683 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.297 -11.053 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.466 -9.646 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.890 -10.337 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.070 -13.278 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.652 -12.696 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.075 -13.512 2.206 1.00 0.00 H new ATOM 321 N GLY A 23 -6.038 -10.016 3.827 1.00 0.00 N ATOM 322 CA GLY A 23 -5.711 -10.098 5.237 1.00 0.00 C ATOM 323 C GLY A 23 -5.437 -8.742 5.803 1.00 0.00 C ATOM 324 O GLY A 23 -4.559 -8.566 6.633 1.00 0.00 O ATOM 0 H GLY A 23 -6.542 -9.173 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.535 -10.562 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.839 -10.737 5.375 1.00 0.00 H new ATOM 328 N ILE A 24 -6.178 -7.770 5.334 1.00 0.00 N ATOM 329 CA ILE A 24 -5.975 -6.411 5.782 1.00 0.00 C ATOM 330 C ILE A 24 -7.197 -5.831 6.468 1.00 0.00 C ATOM 331 O ILE A 24 -8.335 -6.178 6.149 1.00 0.00 O ATOM 332 CB ILE A 24 -5.568 -5.512 4.605 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.733 -5.354 3.624 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.350 -6.115 3.892 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.455 -4.369 2.510 1.00 0.00 C ATOM 0 H ILE A 24 -6.923 -7.890 4.647 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.172 -6.443 6.518 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.306 -4.525 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.966 -6.326 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.618 -5.030 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.063 -5.475 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.519 -6.191 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.602 -7.108 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.323 -4.308 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.252 -3.386 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.590 -4.702 1.937 1.00 0.00 H new ATOM 347 N SER A 25 -6.942 -4.921 7.395 1.00 0.00 N ATOM 348 CA SER A 25 -7.989 -4.256 8.113 1.00 0.00 C ATOM 349 C SER A 25 -8.169 -2.871 7.530 1.00 0.00 C ATOM 350 O SER A 25 -7.254 -2.050 7.573 1.00 0.00 O ATOM 351 CB SER A 25 -7.680 -4.187 9.610 1.00 0.00 C ATOM 352 OG SER A 25 -8.870 -4.068 10.370 1.00 0.00 O ATOM 0 H SER A 25 -6.001 -4.631 7.662 1.00 0.00 H new ATOM 0 HA SER A 25 -8.915 -4.821 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.138 -5.082 9.915 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.029 -3.336 9.812 1.00 0.00 H new ATOM 0 HG SER A 25 -8.647 -4.027 11.323 1.00 0.00 H new ATOM 358 N VAL A 26 -9.327 -2.625 6.944 1.00 0.00 N ATOM 359 CA VAL A 26 -9.581 -1.346 6.307 1.00 0.00 C ATOM 360 C VAL A 26 -10.403 -0.420 7.193 1.00 0.00 C ATOM 361 O VAL A 26 -11.086 -0.864 8.116 1.00 0.00 O ATOM 362 CB VAL A 26 -10.301 -1.536 4.957 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.630 -2.255 5.155 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.508 -0.200 4.265 1.00 0.00 C ATOM 0 H VAL A 26 -10.101 -3.288 6.896 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.609 -0.883 6.137 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.671 -2.154 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.123 -2.380 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.451 -3.234 5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.267 -1.667 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.018 -0.358 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.114 0.448 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.541 0.270 4.085 1.00 0.00 H new ATOM 374 N THR A 27 -10.296 0.880 6.919 1.00 0.00 N ATOM 375 CA THR A 27 -10.991 1.901 7.699 1.00 0.00 C ATOM 376 C THR A 27 -10.242 2.148 9.005 1.00 0.00 C ATOM 377 O THR A 27 -10.687 2.911 9.862 1.00 0.00 O ATOM 378 CB THR A 27 -12.438 1.489 7.986 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.021 0.879 6.849 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.322 2.649 8.390 1.00 0.00 C ATOM 0 H THR A 27 -9.730 1.252 6.156 1.00 0.00 H new ATOM 0 HA THR A 27 -11.016 2.822 7.117 1.00 0.00 H new ATOM 0 HB THR A 27 -12.379 0.791 8.821 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.944 0.622 7.053 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.333 2.288 8.579 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.927 3.110 9.295 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.344 3.386 7.588 1.00 0.00 H new ATOM 388 N VAL A 28 -9.097 1.482 9.140 1.00 0.00 N ATOM 389 CA VAL A 28 -8.260 1.595 10.316 1.00 0.00 C ATOM 390 C VAL A 28 -7.433 2.875 10.292 1.00 0.00 C ATOM 391 O VAL A 28 -7.282 3.542 11.316 1.00 0.00 O ATOM 392 CB VAL A 28 -7.323 0.384 10.403 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.132 -0.901 10.387 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.339 0.396 9.248 1.00 0.00 C ATOM 0 H VAL A 28 -8.729 0.849 8.430 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.912 1.627 11.189 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.764 0.439 11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.458 -1.756 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.813 -0.913 11.238 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.706 -0.958 9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.680 -0.469 9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.884 0.357 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.745 1.309 9.286 1.00 0.00 H new ATOM 404 N LEU A 29 -6.918 3.234 9.116 1.00 0.00 N ATOM 405 CA LEU A 29 -6.143 4.443 8.976 1.00 0.00 C ATOM 406 C LEU A 29 -6.906 5.418 8.117 1.00 0.00 C ATOM 407 O LEU A 29 -6.584 6.603 8.031 1.00 0.00 O ATOM 408 CB LEU A 29 -4.772 4.152 8.368 1.00 0.00 C ATOM 409 CG LEU A 29 -4.000 2.993 9.010 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.512 3.131 8.726 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.245 2.940 10.512 1.00 0.00 C ATOM 0 H LEU A 29 -7.029 2.699 8.255 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.978 4.875 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.902 3.936 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.164 5.054 8.437 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.360 2.062 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.975 2.302 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.344 3.118 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.149 4.073 9.138 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.686 2.109 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.916 3.874 10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.309 2.799 10.702 1.00 0.00 H new ATOM 423 N PHE A 30 -7.928 4.882 7.490 1.00 0.00 N ATOM 424 CA PHE A 30 -8.788 5.639 6.628 1.00 0.00 C ATOM 425 C PHE A 30 -10.241 5.494 7.085 1.00 0.00 C ATOM 426 O PHE A 30 -10.503 5.064 8.208 1.00 0.00 O ATOM 427 CB PHE A 30 -8.631 5.126 5.203 1.00 0.00 C ATOM 428 CG PHE A 30 -8.790 6.077 4.192 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.061 7.400 4.386 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.578 5.587 2.996 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.120 8.213 3.301 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.613 6.332 1.953 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.886 7.672 2.056 1.00 0.00 C ATOM 0 H PHE A 30 -8.183 3.898 7.569 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.517 6.694 6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.641 4.681 5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.356 4.328 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.225 7.791 5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.369 4.533 2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.346 9.263 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.425 5.899 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.917 8.294 1.174 1.00 0.00 H new ATOM 443 N ASP A 31 -11.180 5.835 6.209 1.00 0.00 N ATOM 444 CA ASP A 31 -12.598 5.720 6.527 1.00 0.00 C ATOM 445 C ASP A 31 -13.201 4.493 5.843 1.00 0.00 C ATOM 446 O ASP A 31 -14.302 4.057 6.181 1.00 0.00 O ATOM 447 CB ASP A 31 -13.348 6.984 6.101 1.00 0.00 C ATOM 448 CG ASP A 31 -13.547 7.952 7.251 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.617 8.103 8.070 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.636 8.560 7.332 1.00 0.00 O ATOM 0 H ASP A 31 -10.985 6.193 5.274 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.699 5.603 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.795 7.480 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.319 6.706 5.691 1.00 0.00 H new ATOM 455 N LYS A 32 -12.466 3.941 4.878 1.00 0.00 N ATOM 456 CA LYS A 32 -12.911 2.767 4.140 1.00 0.00 C ATOM 457 C LYS A 32 -11.862 2.345 3.120 1.00 0.00 C ATOM 458 O LYS A 32 -12.200 1.919 2.015 1.00 0.00 O ATOM 459 CB LYS A 32 -14.239 3.045 3.427 1.00 0.00 C ATOM 460 CG LYS A 32 -14.137 4.080 2.319 1.00 0.00 C ATOM 461 CD LYS A 32 -14.140 5.494 2.876 1.00 0.00 C ATOM 462 CE LYS A 32 -12.729 6.047 2.997 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.638 7.453 2.516 1.00 0.00 N ATOM 0 H LYS A 32 -11.553 4.294 4.590 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.057 1.958 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.617 2.113 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.970 3.383 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.223 3.915 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.971 3.958 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.731 6.141 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.620 5.500 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.409 5.998 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.044 5.422 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.653 7.670 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.246 7.574 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.952 8.098 3.269 1.00 0.00 H new ATOM 477 N GLY A 33 -10.585 2.474 3.481 1.00 0.00 N ATOM 478 CA GLY A 33 -9.528 2.105 2.555 1.00 0.00 C ATOM 479 C GLY A 33 -9.724 2.790 1.206 1.00 0.00 C ATOM 480 O GLY A 33 -9.395 3.959 1.045 1.00 0.00 O ATOM 0 H GLY A 33 -10.268 2.823 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.560 2.383 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.518 1.023 2.420 1.00 0.00 H new ATOM 484 N GLY A 34 -10.282 2.063 0.237 1.00 0.00 N ATOM 485 CA GLY A 34 -10.520 2.632 -1.084 1.00 0.00 C ATOM 486 C GLY A 34 -11.361 3.896 -1.033 1.00 0.00 C ATOM 487 O GLY A 34 -12.053 4.133 -0.046 1.00 0.00 O ATOM 0 H GLY A 34 -10.573 1.091 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.564 2.855 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.020 1.892 -1.709 1.00 0.00 H new ATOM 491 N VAL A 35 -11.279 4.720 -2.089 1.00 0.00 N ATOM 492 CA VAL A 35 -12.003 5.980 -2.175 1.00 0.00 C ATOM 493 C VAL A 35 -11.250 6.845 -3.155 1.00 0.00 C ATOM 494 O VAL A 35 -10.377 6.346 -3.854 1.00 0.00 O ATOM 495 CB VAL A 35 -12.057 6.675 -0.796 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.648 6.880 -0.244 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.873 7.964 -0.809 1.00 0.00 C ATOM 0 H VAL A 35 -10.703 4.522 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.030 5.812 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.589 6.009 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.706 7.371 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.156 5.914 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.075 7.502 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.873 8.405 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.432 8.667 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.898 7.743 -1.108 1.00 0.00 H new ATOM 604 N GLY A 42 -7.974 7.417 -6.789 1.00 0.00 N ATOM 605 CA GLY A 42 -8.596 6.784 -5.663 1.00 0.00 C ATOM 606 C GLY A 42 -7.830 7.080 -4.402 1.00 0.00 C ATOM 607 O GLY A 42 -7.803 8.216 -3.933 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.623 7.135 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.642 5.707 -5.823 1.00 0.00 H new ATOM 611 N GLY A 43 -7.145 6.072 -3.883 1.00 0.00 N ATOM 612 CA GLY A 43 -6.322 6.300 -2.709 1.00 0.00 C ATOM 613 C GLY A 43 -6.666 5.500 -1.456 1.00 0.00 C ATOM 614 O GLY A 43 -7.072 6.081 -0.455 1.00 0.00 O ATOM 0 H GLY A 43 -7.141 5.118 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.287 6.086 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.374 7.360 -2.459 1.00 0.00 H new ATOM 618 N ILE A 44 -6.476 4.182 -1.490 1.00 0.00 N ATOM 619 CA ILE A 44 -6.746 3.337 -0.309 1.00 0.00 C ATOM 620 C ILE A 44 -5.746 3.562 0.813 1.00 0.00 C ATOM 621 O ILE A 44 -4.535 3.463 0.629 1.00 0.00 O ATOM 622 CB ILE A 44 -6.731 1.818 -0.601 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.279 1.033 0.590 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.317 1.321 -0.912 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.338 0.020 0.211 1.00 0.00 C ATOM 0 H ILE A 44 -6.140 3.673 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.749 3.646 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.364 1.654 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.456 0.518 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.699 1.732 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.344 0.250 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.932 1.844 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.667 1.514 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.681 -0.500 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.179 0.531 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.917 -0.702 -0.489 1.00 0.00 H new ATOM 637 N TYR A 45 -6.286 3.774 1.993 1.00 0.00 N ATOM 638 CA TYR A 45 -5.481 3.926 3.199 1.00 0.00 C ATOM 639 C TYR A 45 -5.935 2.906 4.220 1.00 0.00 C ATOM 640 O TYR A 45 -7.132 2.698 4.404 1.00 0.00 O ATOM 641 CB TYR A 45 -5.517 5.333 3.755 1.00 0.00 C ATOM 642 CG TYR A 45 -4.794 6.341 2.921 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.359 6.823 1.762 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.557 6.822 3.306 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.714 7.760 0.998 1.00 0.00 C ATOM 646 CE2 TYR A 45 -2.899 7.760 2.548 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.480 8.230 1.390 1.00 0.00 C ATOM 648 OH TYR A 45 -2.828 9.172 0.626 1.00 0.00 O ATOM 0 H TYR A 45 -7.291 3.847 2.150 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.437 3.746 2.943 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.557 5.644 3.860 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.083 5.327 4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.326 6.457 1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.102 6.456 4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.172 8.129 0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.932 8.127 2.858 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.970 9.396 1.044 1.00 0.00 H new ATOM 658 N VAL A 46 -4.989 2.177 4.792 1.00 0.00 N ATOM 659 CA VAL A 46 -5.350 1.095 5.658 1.00 0.00 C ATOM 660 C VAL A 46 -4.275 0.704 6.681 1.00 0.00 C ATOM 661 O VAL A 46 -3.240 1.358 6.780 1.00 0.00 O ATOM 662 CB VAL A 46 -5.587 -0.050 4.689 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.310 -0.755 4.345 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.663 -0.973 5.200 1.00 0.00 C ATOM 0 H VAL A 46 -3.987 2.320 4.668 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.205 1.367 6.277 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.956 0.363 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.519 -1.568 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.619 -0.051 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.862 -1.160 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.814 -1.785 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.361 -1.386 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.593 -0.417 5.319 1.00 0.00 H new ATOM 674 N LYS A 47 -4.499 -0.424 7.382 1.00 0.00 N ATOM 675 CA LYS A 47 -3.496 -0.944 8.328 1.00 0.00 C ATOM 676 C LYS A 47 -2.605 -1.853 7.519 1.00 0.00 C ATOM 677 O LYS A 47 -1.464 -2.157 7.869 1.00 0.00 O ATOM 678 CB LYS A 47 -4.113 -1.726 9.500 1.00 0.00 C ATOM 679 CG LYS A 47 -4.610 -3.118 9.133 1.00 0.00 C ATOM 680 CD LYS A 47 -4.697 -4.013 10.361 1.00 0.00 C ATOM 681 CE LYS A 47 -4.707 -5.485 9.982 1.00 0.00 C ATOM 682 NZ LYS A 47 -5.102 -6.352 11.127 1.00 0.00 N ATOM 0 H LYS A 47 -5.349 -0.983 7.313 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.958 -0.113 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.370 -1.816 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.945 -1.151 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.591 -3.045 8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.938 -3.565 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.851 -3.812 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.601 -3.775 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.398 -5.642 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.717 -5.776 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.179 -7.338 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.383 -6.287 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.020 -6.037 11.500 1.00 0.00 H new ATOM 696 N ALA A 48 -3.179 -2.226 6.388 1.00 0.00 N ATOM 697 CA ALA A 48 -2.587 -3.023 5.395 1.00 0.00 C ATOM 698 C ALA A 48 -2.680 -4.503 5.720 1.00 0.00 C ATOM 699 O ALA A 48 -3.707 -4.961 6.206 1.00 0.00 O ATOM 700 CB ALA A 48 -1.215 -2.512 5.193 1.00 0.00 C ATOM 0 H ALA A 48 -4.131 -1.948 6.150 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.124 -2.949 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.715 -3.104 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.258 -1.470 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.659 -2.584 6.127 1.00 0.00 H new ATOM 706 N VAL A 49 -1.658 -5.263 5.391 1.00 0.00 N ATOM 707 CA VAL A 49 -1.704 -6.685 5.559 1.00 0.00 C ATOM 708 C VAL A 49 -1.504 -7.231 6.948 1.00 0.00 C ATOM 709 O VAL A 49 -0.627 -6.831 7.714 1.00 0.00 O ATOM 710 CB VAL A 49 -0.684 -7.321 4.660 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.182 -7.264 3.245 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.660 -6.653 4.819 1.00 0.00 C ATOM 0 H VAL A 49 -0.783 -4.910 5.004 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.734 -6.937 5.307 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.544 -8.366 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.449 -7.723 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.127 -7.803 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.333 -6.224 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.384 -7.130 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.574 -5.597 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.994 -6.749 5.852 1.00 0.00 H new ATOM 722 N ILE A 50 -2.354 -8.216 7.201 1.00 0.00 N ATOM 723 CA ILE A 50 -2.387 -8.982 8.431 1.00 0.00 C ATOM 724 C ILE A 50 -0.974 -9.300 8.912 1.00 0.00 C ATOM 725 O ILE A 50 -0.021 -9.236 8.137 1.00 0.00 O ATOM 726 CB ILE A 50 -3.165 -10.307 8.184 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.053 -10.651 9.381 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.226 -11.456 7.854 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.436 -11.123 8.989 1.00 0.00 C ATOM 0 H ILE A 50 -3.063 -8.511 6.530 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.885 -8.392 9.200 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.808 -10.152 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.567 -11.426 9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.145 -9.773 10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.806 -12.364 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.661 -11.217 6.953 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.537 -11.612 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.011 -11.349 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.941 -10.340 8.422 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.354 -12.020 8.375 1.00 0.00 H new ATOM 741 N PRO A 51 -0.818 -9.662 10.190 1.00 0.00 N ATOM 742 CA PRO A 51 0.482 -10.003 10.748 1.00 0.00 C ATOM 743 C PRO A 51 0.916 -11.406 10.390 1.00 0.00 C ATOM 744 O PRO A 51 2.104 -11.731 10.361 1.00 0.00 O ATOM 745 CB PRO A 51 0.278 -9.883 12.264 1.00 0.00 C ATOM 746 CG PRO A 51 -1.140 -9.442 12.463 1.00 0.00 C ATOM 747 CD PRO A 51 -1.873 -9.774 11.195 1.00 0.00 C ATOM 0 HA PRO A 51 1.264 -9.351 10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.462 -10.837 12.758 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.973 -9.162 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.589 -9.952 13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.188 -8.373 12.670 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.303 -10.775 11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.692 -9.080 11.005 1.00 0.00 H new ATOM 755 N GLN A 52 -0.067 -12.221 10.144 1.00 0.00 N ATOM 756 CA GLN A 52 0.149 -13.624 9.802 1.00 0.00 C ATOM 757 C GLN A 52 0.248 -13.855 8.297 1.00 0.00 C ATOM 758 O GLN A 52 0.130 -14.989 7.832 1.00 0.00 O ATOM 759 CB GLN A 52 -0.961 -14.494 10.394 1.00 0.00 C ATOM 760 CG GLN A 52 -2.336 -14.200 9.818 1.00 0.00 C ATOM 761 CD GLN A 52 -3.426 -15.038 10.456 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.993 -15.929 9.823 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.727 -14.756 11.718 1.00 0.00 N ATOM 0 H GLN A 52 -1.049 -11.946 10.171 1.00 0.00 H new ATOM 0 HA GLN A 52 1.108 -13.909 10.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.720 -15.543 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.989 -14.347 11.474 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.566 -13.144 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.323 -14.384 8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.232 -14.009 12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.453 -15.286 12.200 1.00 0.00 H new ATOM 772 N GLY A 53 0.491 -12.794 7.542 1.00 0.00 N ATOM 773 CA GLY A 53 0.628 -12.935 6.104 1.00 0.00 C ATOM 774 C GLY A 53 -0.630 -12.569 5.339 1.00 0.00 C ATOM 775 O GLY A 53 -0.872 -11.402 5.052 1.00 0.00 O ATOM 0 H GLY A 53 0.596 -11.843 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.449 -12.305 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.899 -13.965 5.872 1.00 0.00 H new ATOM 779 N ALA A 54 -1.439 -13.575 5.023 1.00 0.00 N ATOM 780 CA ALA A 54 -2.683 -13.378 4.301 1.00 0.00 C ATOM 781 C ALA A 54 -2.551 -12.337 3.170 1.00 0.00 C ATOM 782 O ALA A 54 -1.884 -12.613 2.173 1.00 0.00 O ATOM 783 CB ALA A 54 -3.766 -13.049 5.295 1.00 0.00 C ATOM 0 H ALA A 54 -1.247 -14.548 5.262 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.955 -14.299 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.709 -12.898 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.873 -13.872 6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.501 -12.139 5.834 1.00 0.00 H new ATOM 789 N ALA A 55 -3.159 -11.143 3.301 1.00 0.00 N ATOM 790 CA ALA A 55 -3.042 -10.127 2.254 1.00 0.00 C ATOM 791 C ALA A 55 -1.580 -9.895 1.972 1.00 0.00 C ATOM 792 O ALA A 55 -1.158 -9.665 0.846 1.00 0.00 O ATOM 793 CB ALA A 55 -3.725 -8.835 2.657 1.00 0.00 C ATOM 0 H ALA A 55 -3.723 -10.868 4.105 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.541 -10.481 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.619 -8.102 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.783 -9.024 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.265 -8.448 3.566 1.00 0.00 H new ATOM 799 N GLU A 56 -0.823 -9.977 3.042 1.00 0.00 N ATOM 800 CA GLU A 56 0.622 -9.806 2.999 1.00 0.00 C ATOM 801 C GLU A 56 1.214 -10.811 2.010 1.00 0.00 C ATOM 802 O GLU A 56 2.189 -10.530 1.313 1.00 0.00 O ATOM 803 CB GLU A 56 1.194 -9.991 4.400 1.00 0.00 C ATOM 804 CG GLU A 56 2.573 -9.377 4.587 1.00 0.00 C ATOM 805 CD GLU A 56 2.752 -8.739 5.951 1.00 0.00 C ATOM 806 OE1 GLU A 56 1.732 -8.430 6.602 1.00 0.00 O ATOM 807 OE2 GLU A 56 3.913 -8.548 6.369 1.00 0.00 O ATOM 0 H GLU A 56 -1.189 -10.165 3.975 1.00 0.00 H new ATOM 0 HA GLU A 56 0.880 -8.802 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.509 -9.549 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.248 -11.057 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.331 -10.148 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.739 -8.626 3.815 1.00 0.00 H new ATOM 814 N SER A 57 0.549 -11.957 1.916 1.00 0.00 N ATOM 815 CA SER A 57 0.903 -13.009 0.975 1.00 0.00 C ATOM 816 C SER A 57 0.367 -12.568 -0.364 1.00 0.00 C ATOM 817 O SER A 57 1.051 -12.636 -1.385 1.00 0.00 O ATOM 818 CB SER A 57 0.295 -14.351 1.392 1.00 0.00 C ATOM 819 OG SER A 57 1.307 -15.300 1.684 1.00 0.00 O ATOM 0 H SER A 57 -0.258 -12.182 2.497 1.00 0.00 H new ATOM 0 HA SER A 57 1.982 -13.160 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.340 -14.210 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.343 -14.729 0.593 1.00 0.00 H new ATOM 0 HG SER A 57 0.894 -16.148 1.949 1.00 0.00 H new ATOM 825 N ASP A 58 -0.840 -12.000 -0.315 1.00 0.00 N ATOM 826 CA ASP A 58 -1.449 -11.409 -1.484 1.00 0.00 C ATOM 827 C ASP A 58 -0.510 -10.313 -1.940 1.00 0.00 C ATOM 828 O ASP A 58 -0.512 -9.901 -3.101 1.00 0.00 O ATOM 829 CB ASP A 58 -2.835 -10.846 -1.147 1.00 0.00 C ATOM 830 CG ASP A 58 -3.408 -9.988 -2.250 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.209 -10.329 -3.435 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.061 -8.975 -1.927 1.00 0.00 O ATOM 0 H ASP A 58 -1.408 -11.942 0.530 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.599 -12.147 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.517 -11.672 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.769 -10.256 -0.233 1.00 0.00 H new ATOM 837 N GLY A 59 0.298 -9.841 -0.983 1.00 0.00 N ATOM 838 CA GLY A 59 1.243 -8.787 -1.274 1.00 0.00 C ATOM 839 C GLY A 59 0.545 -7.476 -1.424 1.00 0.00 C ATOM 840 O GLY A 59 0.730 -6.781 -2.412 1.00 0.00 O ATOM 0 H GLY A 59 0.308 -10.174 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.980 -8.722 -0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.786 -9.022 -2.189 1.00 0.00 H new ATOM 844 N ARG A 60 -0.256 -7.141 -0.423 1.00 0.00 N ATOM 845 CA ARG A 60 -1.006 -5.900 -0.419 1.00 0.00 C ATOM 846 C ARG A 60 -0.547 -5.068 0.748 1.00 0.00 C ATOM 847 O ARG A 60 -1.336 -4.671 1.605 1.00 0.00 O ATOM 848 CB ARG A 60 -2.507 -6.186 -0.322 1.00 0.00 C ATOM 849 CG ARG A 60 -3.376 -5.031 -0.793 1.00 0.00 C ATOM 850 CD ARG A 60 -4.683 -4.966 -0.023 1.00 0.00 C ATOM 851 NE ARG A 60 -5.188 -3.599 0.079 1.00 0.00 N ATOM 852 CZ ARG A 60 -4.559 -2.625 0.731 1.00 0.00 C ATOM 853 NH1 ARG A 60 -3.409 -2.864 1.350 1.00 0.00 N ATOM 854 NH2 ARG A 60 -5.083 -1.408 0.766 1.00 0.00 N ATOM 0 H ARG A 60 -0.402 -7.720 0.404 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.830 -5.356 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.739 -7.070 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.758 -6.421 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.834 -4.093 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.585 -5.142 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.427 -5.592 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.536 -5.374 0.977 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.074 -3.379 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.002 -3.799 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.932 -2.112 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.967 -1.220 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.602 -0.660 1.265 1.00 0.00 H new ATOM 868 N ILE A 61 0.753 -4.863 0.800 1.00 0.00 N ATOM 869 CA ILE A 61 1.363 -4.169 1.844 1.00 0.00 C ATOM 870 C ILE A 61 1.439 -2.685 1.638 1.00 0.00 C ATOM 871 O ILE A 61 1.725 -2.194 0.548 1.00 0.00 O ATOM 872 CB ILE A 61 2.766 -4.682 2.047 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.435 -5.162 0.746 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.736 -5.799 3.058 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.453 -4.128 -0.360 1.00 0.00 C ATOM 0 H ILE A 61 1.403 -5.194 0.087 1.00 0.00 H new ATOM 0 HA ILE A 61 0.732 -4.344 2.716 1.00 0.00 H new ATOM 0 HB ILE A 61 3.369 -3.849 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.460 -5.460 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.914 -6.051 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.747 -6.177 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.341 -5.425 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.099 -6.604 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.941 -4.546 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.430 -3.846 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.000 -3.247 -0.025 1.00 0.00 H new ATOM 887 N HIS A 62 1.226 -2.005 2.744 1.00 0.00 N ATOM 888 CA HIS A 62 1.292 -0.569 2.851 1.00 0.00 C ATOM 889 C HIS A 62 0.059 -0.050 3.562 1.00 0.00 C ATOM 890 O HIS A 62 -1.039 -0.034 3.005 1.00 0.00 O ATOM 891 CB HIS A 62 1.458 0.152 1.514 1.00 0.00 C ATOM 892 CG HIS A 62 2.893 0.382 1.152 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.702 -0.599 0.619 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.669 1.486 1.266 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.913 -0.110 0.423 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.919 1.153 0.806 1.00 0.00 N ATOM 0 H HIS A 62 0.993 -2.459 3.627 1.00 0.00 H new ATOM 0 HA HIS A 62 2.192 -0.351 3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.980 -0.434 0.729 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.941 1.111 1.557 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.411 -1.554 0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.362 2.449 1.648 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.755 -0.652 0.018 1.00 0.00 H new ATOM 905 N LYS A 63 0.249 0.379 4.791 1.00 0.00 N ATOM 906 CA LYS A 63 -0.840 0.908 5.592 1.00 0.00 C ATOM 907 C LYS A 63 -1.037 2.370 5.270 1.00 0.00 C ATOM 908 O LYS A 63 -0.183 3.195 5.594 1.00 0.00 O ATOM 909 CB LYS A 63 -0.537 0.739 7.079 1.00 0.00 C ATOM 910 CG LYS A 63 0.841 1.239 7.481 1.00 0.00 C ATOM 911 CD LYS A 63 1.801 0.090 7.739 1.00 0.00 C ATOM 912 CE LYS A 63 2.719 0.383 8.916 1.00 0.00 C ATOM 913 NZ LYS A 63 1.968 0.464 10.199 1.00 0.00 N ATOM 0 H LYS A 63 1.154 0.373 5.262 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.752 0.358 5.359 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.291 1.273 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.622 -0.316 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.241 1.878 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.758 1.853 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.235 -0.821 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.399 -0.093 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.477 -0.397 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.243 1.323 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.602 0.225 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.604 1.430 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.173 -0.206 10.179 1.00 0.00 H new ATOM 927 N GLY A 64 -2.143 2.706 4.614 1.00 0.00 N ATOM 928 CA GLY A 64 -2.338 4.098 4.271 1.00 0.00 C ATOM 929 C GLY A 64 -1.534 4.472 3.058 1.00 0.00 C ATOM 930 O GLY A 64 -0.312 4.575 3.117 1.00 0.00 O ATOM 0 H GLY A 64 -2.881 2.065 4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.395 4.285 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.048 4.728 5.112 1.00 0.00 H new ATOM 934 N ASP A 65 -2.225 4.640 1.950 1.00 0.00 N ATOM 935 CA ASP A 65 -1.572 4.979 0.684 1.00 0.00 C ATOM 936 C ASP A 65 -2.602 5.275 -0.395 1.00 0.00 C ATOM 937 O ASP A 65 -3.785 5.415 -0.085 1.00 0.00 O ATOM 938 CB ASP A 65 -0.691 3.818 0.268 1.00 0.00 C ATOM 939 CG ASP A 65 0.769 4.207 0.155 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.082 5.119 -0.637 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.600 3.603 0.866 1.00 0.00 O ATOM 0 H ASP A 65 -3.239 4.549 1.891 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.967 5.876 0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.793 3.011 0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.035 3.430 -0.691 1.00 0.00 H new ATOM 946 N ARG A 66 -2.185 5.391 -1.667 1.00 0.00 N ATOM 947 CA ARG A 66 -3.177 5.679 -2.696 1.00 0.00 C ATOM 948 C ARG A 66 -3.146 4.772 -3.940 1.00 0.00 C ATOM 949 O ARG A 66 -2.276 4.876 -4.795 1.00 0.00 O ATOM 950 CB ARG A 66 -3.053 7.138 -3.138 1.00 0.00 C ATOM 951 CG ARG A 66 -2.846 8.112 -1.987 1.00 0.00 C ATOM 952 CD ARG A 66 -1.402 8.583 -1.909 1.00 0.00 C ATOM 953 NE ARG A 66 -1.118 9.639 -2.878 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.453 10.915 -2.705 1.00 0.00 C ATOM 955 NH1 ARG A 66 -2.085 11.298 -1.601 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.156 11.811 -3.636 1.00 0.00 N ATOM 0 H ARG A 66 -1.222 5.295 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.134 5.474 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.218 7.228 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.953 7.421 -3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.504 8.972 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.125 7.633 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.193 8.948 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.735 7.739 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.634 9.383 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.315 10.613 -0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.340 12.277 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.671 11.522 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.413 12.789 -3.503 1.00 0.00 H new ATOM 970 N VAL A 67 -4.160 3.919 -4.023 1.00 0.00 N ATOM 971 CA VAL A 67 -4.407 3.007 -5.072 1.00 0.00 C ATOM 972 C VAL A 67 -5.044 3.567 -6.300 1.00 0.00 C ATOM 973 O VAL A 67 -5.981 4.364 -6.250 1.00 0.00 O ATOM 974 CB VAL A 67 -5.321 1.895 -4.621 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.470 0.742 -4.359 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.138 2.250 -3.420 1.00 0.00 C ATOM 0 H VAL A 67 -4.869 3.863 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.401 2.674 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.054 1.686 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.084 -0.096 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.941 0.466 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.748 0.992 -3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.773 1.406 -3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.476 2.488 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.762 3.115 -3.647 1.00 0.00 H new ATOM 986 N LEU A 68 -4.581 3.037 -7.405 1.00 0.00 N ATOM 987 CA LEU A 68 -5.159 3.368 -8.674 1.00 0.00 C ATOM 988 C LEU A 68 -6.410 2.502 -8.838 1.00 0.00 C ATOM 989 O LEU A 68 -7.498 3.012 -9.101 1.00 0.00 O ATOM 990 CB LEU A 68 -4.147 3.157 -9.817 1.00 0.00 C ATOM 991 CG LEU A 68 -4.332 1.899 -10.677 1.00 0.00 C ATOM 992 CD1 LEU A 68 -5.536 2.047 -11.596 1.00 0.00 C ATOM 993 CD2 LEU A 68 -3.075 1.628 -11.490 1.00 0.00 C ATOM 0 H LEU A 68 -3.806 2.375 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.433 4.422 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.188 4.027 -10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.147 3.130 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.510 1.052 -10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.649 1.144 -12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.434 2.199 -10.997 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.389 2.904 -12.253 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.219 0.733 -12.096 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.873 2.478 -12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.231 1.478 -10.816 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.254 1.183 -8.631 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.373 0.254 -8.704 1.00 0.00 C ATOM 1007 C ALA A 69 -7.326 -0.679 -7.514 1.00 0.00 C ATOM 1008 O ALA A 69 -6.250 -0.955 -7.011 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.350 -0.525 -10.011 1.00 0.00 C ATOM 0 H ALA A 69 -5.359 0.745 -8.412 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.306 0.816 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.196 -1.212 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.416 0.169 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.421 -1.091 -10.081 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.466 -1.192 -7.093 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.518 -2.132 -5.990 1.00 0.00 C ATOM 1017 C VAL A 70 -9.194 -3.405 -6.457 1.00 0.00 C ATOM 1018 O VAL A 70 -10.116 -3.367 -7.269 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.257 -1.563 -4.781 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.696 -1.343 -5.155 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.138 -2.494 -3.585 1.00 0.00 C ATOM 0 H VAL A 70 -9.374 -0.972 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.496 -2.339 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.809 -0.612 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.236 -0.936 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.752 -0.641 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.144 -2.292 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.673 -2.067 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.569 -3.464 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.087 -2.620 -3.325 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.717 -4.526 -5.956 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.239 -5.833 -6.332 1.00 0.00 C ATOM 1033 C ASN A 71 -9.452 -5.927 -7.838 1.00 0.00 C ATOM 1034 O ASN A 71 -10.184 -6.793 -8.319 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.551 -6.081 -5.632 1.00 0.00 C ATOM 1036 CG ASN A 71 -10.903 -7.553 -5.544 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.494 -7.954 -4.424 1.00 0.00 O flip ATOM 1038 ND2 ASN A 71 -10.645 -8.324 -6.469 1.00 0.00 N flip ATOM 0 H ASN A 71 -7.957 -4.562 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.509 -6.585 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.505 -5.663 -4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.345 -5.554 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.190 -7.975 -7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.886 -9.312 -6.392 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.817 -5.029 -8.580 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.969 -5.038 -10.025 1.00 0.00 C ATOM 1047 C GLY A 72 -9.833 -3.905 -10.537 1.00 0.00 C ATOM 1048 O GLY A 72 -9.665 -3.467 -11.676 1.00 0.00 O ATOM 0 H GLY A 72 -8.205 -4.300 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.985 -4.975 -10.489 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.406 -5.988 -10.333 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.736 -3.399 -9.701 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.573 -2.286 -10.112 1.00 0.00 C ATOM 1054 C VAL A 73 -10.832 -1.004 -9.814 1.00 0.00 C ATOM 1055 O VAL A 73 -10.158 -0.907 -8.802 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.973 -2.259 -9.417 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.757 -1.015 -9.819 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.754 -3.521 -9.757 1.00 0.00 C ATOM 0 H VAL A 73 -10.902 -3.737 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.771 -2.401 -11.178 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.821 -2.224 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.727 -1.020 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.203 -0.124 -9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.903 -1.010 -10.899 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.727 -3.490 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.893 -3.583 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.202 -4.395 -9.412 1.00 0.00 H new ATOM 1068 N SER A 74 -10.954 -0.017 -10.674 1.00 0.00 N ATOM 1069 CA SER A 74 -10.270 1.235 -10.432 1.00 0.00 C ATOM 1070 C SER A 74 -11.079 1.986 -9.406 1.00 0.00 C ATOM 1071 O SER A 74 -12.240 2.314 -9.654 1.00 0.00 O ATOM 1072 CB SER A 74 -10.147 2.049 -11.722 1.00 0.00 C ATOM 1073 OG SER A 74 -9.469 1.314 -12.727 1.00 0.00 O ATOM 0 H SER A 74 -11.508 -0.053 -11.530 1.00 0.00 H new ATOM 0 HA SER A 74 -9.257 1.055 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.140 2.326 -12.077 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.610 2.976 -11.521 1.00 0.00 H new ATOM 0 HG SER A 74 -9.405 1.855 -13.541 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.493 2.254 -8.236 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.219 2.934 -7.236 1.00 0.00 C ATOM 1081 C LEU A 75 -10.877 4.375 -7.342 1.00 0.00 C ATOM 1082 O LEU A 75 -10.103 4.910 -6.563 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.858 2.405 -5.858 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.397 2.617 -5.479 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.266 2.922 -3.997 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.565 1.406 -5.856 1.00 0.00 C ATOM 0 H LEU A 75 -9.535 2.004 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.289 2.781 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.490 2.892 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.083 1.339 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.020 3.475 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.215 3.070 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.826 3.827 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.663 2.088 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.525 1.578 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.941 0.528 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.630 1.241 -6.931 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.465 5.008 -8.306 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.208 6.394 -8.502 1.00 0.00 C ATOM 1100 C GLU A 76 -12.266 7.197 -7.764 1.00 0.00 C ATOM 1101 O GLU A 76 -12.702 8.252 -8.223 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.198 6.748 -9.990 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.059 6.102 -10.762 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.899 6.677 -12.156 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -10.829 6.518 -12.973 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -8.844 7.287 -12.429 1.00 0.00 O ATOM 0 H GLU A 76 -12.122 4.589 -8.965 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.222 6.636 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.146 6.443 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.130 7.831 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.129 6.235 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.236 5.029 -10.834 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.706 6.651 -6.630 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.741 7.270 -5.856 1.00 0.00 C ATOM 1115 C GLY A 77 -15.028 6.486 -5.966 1.00 0.00 C ATOM 1116 O GLY A 77 -16.101 6.968 -5.607 1.00 0.00 O ATOM 0 H GLY A 77 -12.350 5.778 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.434 7.332 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.900 8.291 -6.202 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.902 5.262 -6.473 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.036 4.378 -6.649 1.00 0.00 C ATOM 1122 C ALA A 78 -16.385 3.694 -5.349 1.00 0.00 C ATOM 1123 O ALA A 78 -17.539 3.746 -4.927 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.743 3.350 -7.727 1.00 0.00 C ATOM 0 H ALA A 78 -14.012 4.862 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.892 4.976 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.605 2.693 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.540 3.859 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.874 2.759 -7.439 1.00 0.00 H new ATOM 1130 N THR A 79 -15.402 3.036 -4.713 1.00 0.00 N ATOM 1131 CA THR A 79 -15.650 2.339 -3.484 1.00 0.00 C ATOM 1132 C THR A 79 -17.075 2.007 -3.326 1.00 0.00 C ATOM 1133 O THR A 79 -17.523 1.021 -3.891 1.00 0.00 O ATOM 1134 CB THR A 79 -15.147 3.096 -2.280 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.954 4.472 -2.558 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.882 2.517 -1.850 1.00 0.00 C ATOM 0 H THR A 79 -14.439 2.984 -5.044 1.00 0.00 H new ATOM 0 HA THR A 79 -15.086 1.408 -3.544 1.00 0.00 H new ATOM 0 HB THR A 79 -15.900 3.016 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.945 4.977 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.511 3.059 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.031 1.469 -1.589 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.155 2.589 -2.659 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.772 2.820 -2.542 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.171 2.588 -2.290 1.00 0.00 C ATOM 1146 C HIS A 80 -19.493 1.144 -2.651 1.00 0.00 C ATOM 1147 O HIS A 80 -19.526 0.272 -1.786 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.013 3.616 -3.053 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.384 3.156 -3.400 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.798 2.464 -4.461 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.502 3.403 -2.633 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.155 2.292 -4.343 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.557 2.870 -3.224 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.385 3.640 -2.076 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.415 2.723 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.089 4.522 -2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.491 3.885 -3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.514 3.945 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.788 1.772 -5.046 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.516 2.899 -2.877 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.679 0.882 -3.929 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.914 -0.474 -4.377 1.00 0.00 C ATOM 1164 C LYS A 81 -18.627 -1.301 -4.588 1.00 0.00 C ATOM 1165 O LYS A 81 -18.419 -2.351 -3.985 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.722 -0.455 -5.675 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.187 -1.832 -6.122 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.611 -2.113 -5.670 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.840 -3.598 -5.442 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.029 -4.334 -6.722 1.00 0.00 N ATOM 0 H LYS A 81 -19.672 1.584 -4.669 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.468 -0.964 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.592 0.188 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.115 -0.011 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.128 -1.902 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.519 -2.592 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.816 -1.567 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.311 -1.747 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.990 -4.018 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.717 -3.737 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.182 -5.343 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.855 -3.951 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -22.182 -4.223 -7.315 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.805 -0.814 -5.525 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.594 -1.520 -5.981 1.00 0.00 C ATOM 1186 C GLN A 82 -15.416 -1.602 -5.052 1.00 0.00 C ATOM 1187 O GLN A 82 -14.889 -2.685 -4.830 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.068 -0.839 -7.249 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.169 -0.437 -8.213 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.693 -0.304 -9.645 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.958 0.764 -9.929 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.982 -1.153 -10.489 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.958 0.081 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.954 -2.542 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.499 0.047 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.378 -1.514 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.968 -1.177 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.596 0.512 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.550 -1.959 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.654 -1.050 -11.449 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.930 -0.481 -4.589 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.714 -0.548 -3.783 1.00 0.00 C ATOM 1203 C ALA A 83 -13.931 -1.028 -2.392 1.00 0.00 C ATOM 1204 O ALA A 83 -13.261 -1.947 -1.923 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.895 0.739 -3.846 1.00 0.00 C ATOM 0 H ALA A 83 -15.322 0.449 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.108 -1.324 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.003 0.633 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.602 0.933 -4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.495 1.571 -3.477 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.877 -0.443 -1.752 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.180 -0.818 -0.401 1.00 0.00 C ATOM 1213 C VAL A 84 -15.646 -2.249 -0.356 1.00 0.00 C ATOM 1214 O VAL A 84 -15.219 -3.035 0.493 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.235 0.100 0.242 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.154 0.662 -0.811 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.040 -0.645 1.291 1.00 0.00 C ATOM 0 H VAL A 84 -15.462 0.300 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.263 -0.710 0.178 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.712 0.921 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.894 1.309 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.573 1.239 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.661 -0.155 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.778 0.027 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.549 -1.490 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.372 -1.009 2.072 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.753 -11.683 -1.534 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.511 -13.081 -1.231 1.00 0.00 C ATOM 1329 C GLY A 91 -9.932 -14.023 -2.345 1.00 0.00 C ATOM 1330 O GLY A 91 -9.084 -14.700 -2.928 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.449 -13.222 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.048 -13.345 -0.320 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.240 -14.074 -2.649 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.752 -14.949 -3.716 1.00 0.00 C ATOM 1336 C GLN A 92 -10.724 -15.045 -4.834 1.00 0.00 C ATOM 1337 O GLN A 92 -10.456 -16.116 -5.376 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.076 -14.411 -4.262 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.032 -12.934 -4.622 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.413 -12.324 -4.751 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -14.926 -12.147 -5.856 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -15.023 -11.996 -3.618 1.00 0.00 N ATOM 0 H GLN A 92 -11.957 -13.524 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.930 -15.942 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.354 -14.984 -5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.858 -14.572 -3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.470 -12.395 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.494 -12.809 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.561 -12.160 -2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.954 -11.580 -3.642 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.131 -13.900 -5.122 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.123 -13.732 -6.067 1.00 0.00 C ATOM 1353 C VAL A 93 -8.920 -12.256 -6.222 1.00 0.00 C ATOM 1354 O VAL A 93 -9.780 -11.542 -6.740 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.414 -14.395 -7.379 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.343 -13.572 -8.265 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.071 -14.603 -7.980 1.00 0.00 C ATOM 0 H VAL A 93 -10.380 -13.029 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.214 -14.222 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.958 -15.332 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.517 -14.103 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.293 -13.418 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.884 -12.606 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.178 -15.087 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.576 -13.640 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.473 -15.235 -7.324 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.833 -11.782 -5.671 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.593 -10.385 -5.654 1.00 0.00 C ATOM 1369 C VAL A 94 -6.399 -9.963 -6.463 1.00 0.00 C ATOM 1370 O VAL A 94 -5.309 -10.530 -6.396 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.383 -9.906 -4.244 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.928 -9.577 -4.111 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.277 -8.719 -3.909 1.00 0.00 C ATOM 0 H VAL A 94 -7.109 -12.351 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.480 -9.937 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.662 -10.680 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.726 -9.223 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.334 -10.469 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.664 -8.799 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.094 -8.404 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.056 -7.894 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.322 -9.008 -4.019 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.646 -8.910 -7.154 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.653 -8.222 -7.951 1.00 0.00 C ATOM 1385 C HIS A 95 -5.734 -6.725 -7.709 1.00 0.00 C ATOM 1386 O HIS A 95 -6.754 -6.111 -8.002 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.821 -8.603 -9.399 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.404 -10.011 -9.573 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.128 -11.062 -9.096 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.265 -10.536 -10.037 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.429 -12.160 -9.261 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.312 -11.869 -9.843 1.00 0.00 N ATOM 0 H HIS A 95 -7.569 -8.477 -7.193 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.649 -8.526 -7.655 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.860 -8.477 -9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.221 -7.951 -10.033 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.451 -9.988 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.738 -13.150 -8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.588 -12.536 -10.110 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.697 -6.136 -7.133 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.715 -4.762 -6.824 1.00 0.00 C ATOM 1403 C LEU A 96 -3.617 -3.947 -7.401 1.00 0.00 C ATOM 1404 O LEU A 96 -2.465 -4.298 -7.313 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.642 -4.590 -5.334 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.756 -3.756 -4.905 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.192 -4.062 -3.479 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.448 -2.284 -5.122 1.00 0.00 C ATOM 0 H LEU A 96 -3.835 -6.617 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.642 -4.401 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.684 -5.560 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.695 -4.129 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.613 -4.001 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.025 -3.414 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.505 -5.104 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.359 -3.887 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.296 -1.683 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.564 -2.009 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.263 -2.103 -6.181 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.002 -2.791 -7.888 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.044 -1.834 -8.372 1.00 0.00 C ATOM 1422 C LEU A 97 -3.035 -0.642 -7.427 1.00 0.00 C ATOM 1423 O LEU A 97 -4.026 0.076 -7.306 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.387 -1.393 -9.783 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.896 -2.350 -10.846 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.399 -1.941 -12.222 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.376 -2.413 -10.812 1.00 0.00 C ATOM 0 H LEU A 97 -4.975 -2.493 -7.958 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.055 -2.290 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.468 -1.288 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.955 -0.408 -9.963 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.293 -3.344 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.032 -2.646 -12.968 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.489 -1.943 -12.226 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.037 -0.940 -12.459 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.023 -3.103 -11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.966 -1.421 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.048 -2.761 -9.832 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.917 -0.460 -6.746 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.765 0.624 -5.775 1.00 0.00 C ATOM 1441 C LEU A 98 -0.768 1.658 -6.228 1.00 0.00 C ATOM 1442 O LEU A 98 0.167 1.357 -6.962 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.330 0.040 -4.437 1.00 0.00 C ATOM 1444 CG LEU A 98 0.069 0.424 -3.937 1.00 0.00 C ATOM 1445 CD1 LEU A 98 0.001 1.706 -3.117 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.612 -0.741 -3.139 1.00 0.00 C ATOM 0 H LEU A 98 -1.092 -1.051 -6.845 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.729 1.124 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.056 0.343 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.379 -1.047 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 98 0.742 0.625 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.000 1.968 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.391 2.513 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.655 1.555 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.608 -0.496 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.048 -0.943 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.668 -1.624 -3.776 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.959 2.873 -5.748 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.045 3.958 -6.071 1.00 0.00 C ATOM 1460 C GLU A 99 0.511 4.596 -4.812 1.00 0.00 C ATOM 1461 O GLU A 99 -0.192 5.256 -4.049 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.693 5.017 -6.958 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.851 4.502 -7.798 1.00 0.00 C ATOM 1464 CD GLU A 99 -2.115 5.363 -9.017 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -2.629 6.490 -8.848 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.810 4.913 -10.141 1.00 0.00 O ATOM 0 H GLU A 99 -1.733 3.134 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 99 0.777 3.516 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.049 5.833 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.065 5.433 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.638 3.482 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.751 4.462 -7.184 1.00 0.00 H new