USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -166:sc= 0 (180deg=-0.103) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot -7:sc= 0.225! USER MOD Set 2.2: A 68 GLN :FLIP amide:sc=-0.00291 F(o=-0.83,f=0.22) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -160:sc= -0.0108 (180deg=-0.261) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 17 ASN : amide:sc= 0.462 K(o=0.46,f=-0.36) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -14.3! C(o=-15!,f=-14!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.22 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -73:sc= 0.104 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= -2.11! (180deg=-2.78!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.126 USER MOD Single : A 77 GLN :FLIP amide:sc= -3.94! C(o=-6.4!,f=-3.9!) USER MOD Single : A 83 THR OG1 : rot 9:sc= 0.301 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.444 -5.187 -2.390 1.00 0.00 N ATOM 91 CA VAL A 7 -14.401 -3.895 -1.721 1.00 0.00 C ATOM 92 C VAL A 7 -13.481 -2.860 -2.410 1.00 0.00 C ATOM 93 O VAL A 7 -13.991 -1.933 -3.038 1.00 0.00 O ATOM 94 CB VAL A 7 -14.034 -4.042 -0.228 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.142 -3.476 0.636 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.783 -5.500 0.135 1.00 0.00 C ATOM 0 HA VAL A 7 -15.414 -3.499 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.115 -3.484 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.875 -3.584 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.281 -2.420 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.068 -4.016 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.527 -5.573 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.682 -6.084 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.960 -5.888 -0.465 1.00 0.00 H new ATOM 106 N PRO A 8 -12.138 -2.931 -2.267 1.00 0.00 N ATOM 107 CA PRO A 8 -11.243 -1.934 -2.838 1.00 0.00 C ATOM 108 C PRO A 8 -10.406 -2.427 -4.038 1.00 0.00 C ATOM 109 O PRO A 8 -10.943 -2.718 -5.107 1.00 0.00 O ATOM 110 CB PRO A 8 -10.366 -1.691 -1.620 1.00 0.00 C ATOM 111 CG PRO A 8 -10.128 -3.077 -1.095 1.00 0.00 C ATOM 112 CD PRO A 8 -11.341 -3.902 -1.500 1.00 0.00 C ATOM 0 HA PRO A 8 -11.758 -1.072 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.433 -1.194 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.864 -1.060 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.214 -3.499 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.009 -3.067 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.062 -4.766 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.884 -4.280 -0.634 1.00 0.00 H new ATOM 120 N LEU A 9 -9.079 -2.481 -3.850 1.00 0.00 N ATOM 121 CA LEU A 9 -8.133 -2.889 -4.886 1.00 0.00 C ATOM 122 C LEU A 9 -8.396 -4.301 -5.406 1.00 0.00 C ATOM 123 O LEU A 9 -8.443 -5.262 -4.638 1.00 0.00 O ATOM 124 CB LEU A 9 -6.709 -2.816 -4.302 1.00 0.00 C ATOM 125 CG LEU A 9 -5.521 -2.993 -5.276 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.956 -3.543 -6.617 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.781 -1.682 -5.477 1.00 0.00 C ATOM 0 H LEU A 9 -8.634 -2.239 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.251 -2.212 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.598 -1.850 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.625 -3.579 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.849 -3.719 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.087 -3.649 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.425 -4.517 -6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.670 -2.859 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.951 -1.835 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.463 -0.939 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.398 -1.330 -4.519 1.00 0.00 H new ATOM 139 N THR A 10 -8.509 -4.413 -6.728 1.00 0.00 N ATOM 140 CA THR A 10 -8.701 -5.698 -7.379 1.00 0.00 C ATOM 141 C THR A 10 -7.367 -6.187 -7.939 1.00 0.00 C ATOM 142 O THR A 10 -6.733 -5.501 -8.742 1.00 0.00 O ATOM 143 CB THR A 10 -9.722 -5.592 -8.510 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.018 -5.303 -8.010 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.815 -6.859 -9.336 1.00 0.00 C ATOM 0 H THR A 10 -8.470 -3.621 -7.369 1.00 0.00 H new ATOM 0 HA THR A 10 -9.078 -6.407 -6.642 1.00 0.00 H new ATOM 0 HB THR A 10 -9.367 -4.779 -9.144 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.650 -5.239 -8.756 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.556 -6.726 -10.125 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.844 -7.074 -9.783 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.112 -7.690 -8.696 1.00 0.00 H new ATOM 153 N PHE A 11 -6.945 -7.366 -7.511 1.00 0.00 N ATOM 154 CA PHE A 11 -5.684 -7.940 -7.963 1.00 0.00 C ATOM 155 C PHE A 11 -5.891 -8.783 -9.224 1.00 0.00 C ATOM 156 O PHE A 11 -7.010 -8.896 -9.725 1.00 0.00 O ATOM 157 CB PHE A 11 -5.076 -8.785 -6.845 1.00 0.00 C ATOM 158 CG PHE A 11 -5.757 -10.092 -6.666 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.945 -10.187 -5.967 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.206 -11.222 -7.214 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.573 -11.407 -5.822 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.820 -12.440 -7.079 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.009 -12.536 -6.382 1.00 0.00 C ATOM 0 H PHE A 11 -7.458 -7.948 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.997 -7.131 -8.212 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.022 -8.958 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.122 -8.227 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.384 -9.302 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.276 -11.151 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.501 -11.478 -5.273 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.376 -13.322 -7.516 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.497 -13.494 -6.275 1.00 0.00 H new ATOM 173 N THR A 12 -4.810 -9.368 -9.732 1.00 0.00 N ATOM 174 CA THR A 12 -4.884 -10.195 -10.941 1.00 0.00 C ATOM 175 C THR A 12 -5.247 -11.642 -10.601 1.00 0.00 C ATOM 176 O THR A 12 -5.777 -11.918 -9.536 1.00 0.00 O ATOM 177 CB THR A 12 -3.554 -10.148 -11.701 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.729 -10.571 -13.045 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.475 -11.011 -11.077 1.00 0.00 C ATOM 0 H THR A 12 -3.876 -9.288 -9.331 1.00 0.00 H new ATOM 0 HA THR A 12 -5.671 -9.789 -11.577 1.00 0.00 H new ATOM 0 HB THR A 12 -3.230 -9.108 -11.656 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.870 -10.533 -13.515 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.560 -10.932 -11.665 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.283 -10.673 -10.059 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.805 -12.050 -11.058 1.00 0.00 H new ATOM 187 N ASP A 13 -4.959 -12.562 -11.514 1.00 0.00 N ATOM 188 CA ASP A 13 -5.247 -13.974 -11.290 1.00 0.00 C ATOM 189 C ASP A 13 -4.051 -14.676 -10.664 1.00 0.00 C ATOM 190 O ASP A 13 -4.193 -15.493 -9.758 1.00 0.00 O ATOM 191 CB ASP A 13 -5.611 -14.653 -12.609 1.00 0.00 C ATOM 192 CG ASP A 13 -6.842 -14.045 -13.253 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.818 -13.768 -12.524 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.832 -13.848 -14.486 1.00 0.00 O ATOM 0 H ASP A 13 -4.527 -12.356 -12.415 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.091 -14.045 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.769 -14.577 -13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.784 -15.715 -12.432 1.00 0.00 H new ATOM 199 N ALA A 14 -2.873 -14.358 -11.173 1.00 0.00 N ATOM 200 CA ALA A 14 -1.637 -14.956 -10.693 1.00 0.00 C ATOM 201 C ALA A 14 -1.408 -14.658 -9.219 1.00 0.00 C ATOM 202 O ALA A 14 -0.995 -15.537 -8.463 1.00 0.00 O ATOM 203 CB ALA A 14 -0.461 -14.472 -11.523 1.00 0.00 C ATOM 0 H ALA A 14 -2.745 -13.682 -11.926 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.725 -16.037 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.458 -14.927 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.611 -14.753 -12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.384 -13.387 -11.447 1.00 0.00 H new ATOM 209 N ALA A 15 -1.693 -13.428 -8.797 1.00 0.00 N ATOM 210 CA ALA A 15 -1.525 -13.072 -7.397 1.00 0.00 C ATOM 211 C ALA A 15 -2.274 -14.080 -6.540 1.00 0.00 C ATOM 212 O ALA A 15 -1.858 -14.415 -5.433 1.00 0.00 O ATOM 213 CB ALA A 15 -1.994 -11.648 -7.137 1.00 0.00 C ATOM 0 H ALA A 15 -2.035 -12.676 -9.395 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.468 -13.104 -7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.858 -11.407 -6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.412 -10.956 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.049 -11.559 -7.396 1.00 0.00 H new ATOM 219 N ALA A 16 -3.360 -14.603 -7.098 1.00 0.00 N ATOM 220 CA ALA A 16 -4.144 -15.626 -6.426 1.00 0.00 C ATOM 221 C ALA A 16 -3.394 -16.943 -6.478 1.00 0.00 C ATOM 222 O ALA A 16 -3.349 -17.700 -5.508 1.00 0.00 O ATOM 223 CB ALA A 16 -5.482 -15.800 -7.119 1.00 0.00 C ATOM 0 H ALA A 16 -3.716 -14.333 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.309 -15.323 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.060 -16.569 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.030 -14.858 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.319 -16.098 -8.155 1.00 0.00 H new ATOM 229 N ASN A 17 -2.822 -17.201 -7.645 1.00 0.00 N ATOM 230 CA ASN A 17 -2.072 -18.412 -7.897 1.00 0.00 C ATOM 231 C ASN A 17 -0.957 -18.628 -6.883 1.00 0.00 C ATOM 232 O ASN A 17 -0.839 -19.699 -6.300 1.00 0.00 O ATOM 233 CB ASN A 17 -1.492 -18.382 -9.313 1.00 0.00 C ATOM 234 CG ASN A 17 -2.507 -18.736 -10.377 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.383 -19.755 -11.057 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.522 -17.898 -10.528 1.00 0.00 N ATOM 0 H ASN A 17 -2.868 -16.570 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.765 -19.248 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.094 -17.388 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.655 -19.078 -9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.239 -18.086 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.587 -17.065 -9.943 1.00 0.00 H new ATOM 243 N LYS A 18 -0.127 -17.605 -6.664 1.00 0.00 N ATOM 244 CA LYS A 18 0.966 -17.733 -5.708 1.00 0.00 C ATOM 245 C LYS A 18 0.422 -18.121 -4.343 1.00 0.00 C ATOM 246 O LYS A 18 1.069 -18.847 -3.590 1.00 0.00 O ATOM 247 CB LYS A 18 1.783 -16.437 -5.616 1.00 0.00 C ATOM 248 CG LYS A 18 0.982 -15.233 -5.154 1.00 0.00 C ATOM 249 CD LYS A 18 0.926 -15.144 -3.637 1.00 0.00 C ATOM 250 CE LYS A 18 1.916 -14.130 -3.092 1.00 0.00 C ATOM 251 NZ LYS A 18 3.310 -14.419 -3.529 1.00 0.00 N ATOM 0 H LYS A 18 -0.191 -16.698 -7.127 1.00 0.00 H new ATOM 0 HA LYS A 18 1.634 -18.519 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.615 -16.592 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.213 -16.221 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.428 -14.323 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.031 -15.295 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.082 -14.870 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.136 -16.124 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.632 -13.132 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.871 -14.129 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.979 -13.941 -2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.477 -15.445 -3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.448 -14.073 -4.500 1.00 0.00 H new ATOM 265 N VAL A 19 -0.786 -17.651 -4.036 1.00 0.00 N ATOM 266 CA VAL A 19 -1.422 -17.971 -2.770 1.00 0.00 C ATOM 267 C VAL A 19 -1.888 -19.422 -2.750 1.00 0.00 C ATOM 268 O VAL A 19 -1.327 -20.251 -2.044 1.00 0.00 O ATOM 269 CB VAL A 19 -2.631 -17.053 -2.502 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.256 -17.356 -1.147 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.224 -15.593 -2.593 1.00 0.00 C ATOM 0 H VAL A 19 -1.338 -17.050 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.678 -17.816 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.381 -17.248 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.107 -16.695 -0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.593 -18.392 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.517 -17.198 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.091 -14.961 -2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.451 -15.384 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.837 -15.385 -3.590 1.00 0.00 H new ATOM 281 N LYS A 20 -2.916 -19.704 -3.538 1.00 0.00 N ATOM 282 CA LYS A 20 -3.488 -21.043 -3.632 1.00 0.00 C ATOM 283 C LYS A 20 -2.446 -22.105 -3.968 1.00 0.00 C ATOM 284 O LYS A 20 -2.681 -23.297 -3.772 1.00 0.00 O ATOM 285 CB LYS A 20 -4.566 -21.077 -4.717 1.00 0.00 C ATOM 286 CG LYS A 20 -4.182 -20.320 -5.978 1.00 0.00 C ATOM 287 CD LYS A 20 -4.126 -21.237 -7.187 1.00 0.00 C ATOM 288 CE LYS A 20 -2.747 -21.853 -7.352 1.00 0.00 C ATOM 289 NZ LYS A 20 -2.723 -22.860 -8.457 1.00 0.00 N ATOM 0 H LYS A 20 -3.378 -19.013 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.908 -21.269 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.777 -22.115 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.487 -20.655 -4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.904 -19.523 -6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.211 -19.845 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.869 -22.027 -7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.385 -20.675 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.019 -21.068 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.446 -22.329 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.767 -23.260 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.400 -23.622 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.986 -22.400 -9.352 1.00 0.00 H new ATOM 303 N SER A 21 -1.318 -21.675 -4.514 1.00 0.00 N ATOM 304 CA SER A 21 -0.282 -22.614 -4.920 1.00 0.00 C ATOM 305 C SER A 21 0.663 -22.973 -3.780 1.00 0.00 C ATOM 306 O SER A 21 0.965 -24.153 -3.572 1.00 0.00 O ATOM 307 CB SER A 21 0.519 -22.041 -6.091 1.00 0.00 C ATOM 308 OG SER A 21 1.492 -22.969 -6.544 1.00 0.00 O ATOM 0 H SER A 21 -1.098 -20.694 -4.685 1.00 0.00 H new ATOM 0 HA SER A 21 -0.787 -23.530 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.156 -21.788 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.008 -21.117 -5.784 1.00 0.00 H new ATOM 0 HG SER A 21 1.990 -22.581 -7.294 1.00 0.00 H new ATOM 314 N LEU A 22 1.138 -21.972 -3.050 1.00 0.00 N ATOM 315 CA LEU A 22 2.057 -22.232 -1.955 1.00 0.00 C ATOM 316 C LEU A 22 1.302 -22.638 -0.701 1.00 0.00 C ATOM 317 O LEU A 22 1.838 -23.338 0.145 1.00 0.00 O ATOM 318 CB LEU A 22 2.975 -21.020 -1.717 1.00 0.00 C ATOM 319 CG LEU A 22 2.636 -20.095 -0.537 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.280 -19.449 -0.737 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.697 -20.837 0.792 1.00 0.00 C ATOM 0 H LEU A 22 0.906 -20.989 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 22 2.697 -23.071 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.990 -21.390 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.980 -20.418 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 22 3.389 -19.308 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.059 -18.798 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.289 -18.861 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.516 -20.223 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.452 -20.151 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.981 -21.659 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.702 -21.232 0.942 1.00 0.00 H new ATOM 333 N ILE A 23 0.049 -22.215 -0.595 1.00 0.00 N ATOM 334 CA ILE A 23 -0.760 -22.570 0.549 1.00 0.00 C ATOM 335 C ILE A 23 -1.139 -24.027 0.479 1.00 0.00 C ATOM 336 O ILE A 23 -0.974 -24.784 1.433 1.00 0.00 O ATOM 337 CB ILE A 23 -2.020 -21.711 0.627 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.821 -21.828 -0.657 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.648 -20.262 0.879 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.941 -22.840 -0.584 1.00 0.00 C ATOM 0 H ILE A 23 -0.421 -21.630 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.170 -22.389 1.447 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.634 -22.068 1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.240 -20.852 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.149 -22.101 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.554 -19.658 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.104 -20.185 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.019 -19.901 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.469 -22.868 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.528 -23.825 -0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.636 -22.557 0.207 1.00 0.00 H new ATOM 352 N SER A 24 -1.613 -24.442 -0.690 1.00 0.00 N ATOM 353 CA SER A 24 -1.970 -25.825 -0.912 1.00 0.00 C ATOM 354 C SER A 24 -0.753 -26.699 -0.664 1.00 0.00 C ATOM 355 O SER A 24 -0.871 -27.889 -0.345 1.00 0.00 O ATOM 356 CB SER A 24 -2.466 -26.018 -2.342 1.00 0.00 C ATOM 357 OG SER A 24 -3.874 -25.872 -2.421 1.00 0.00 O ATOM 0 H SER A 24 -1.757 -23.834 -1.496 1.00 0.00 H new ATOM 0 HA SER A 24 -2.769 -26.107 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.985 -25.292 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.180 -27.008 -2.698 1.00 0.00 H new ATOM 0 HG SER A 24 -4.165 -25.999 -3.348 1.00 0.00 H new ATOM 363 N GLU A 25 0.421 -26.086 -0.801 1.00 0.00 N ATOM 364 CA GLU A 25 1.673 -26.773 -0.590 1.00 0.00 C ATOM 365 C GLU A 25 1.986 -26.850 0.902 1.00 0.00 C ATOM 366 O GLU A 25 2.772 -27.690 1.337 1.00 0.00 O ATOM 367 CB GLU A 25 2.810 -26.067 -1.326 1.00 0.00 C ATOM 368 CG GLU A 25 3.737 -27.008 -2.071 1.00 0.00 C ATOM 369 CD GLU A 25 5.018 -27.293 -1.303 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.759 -26.327 -1.017 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.276 -28.471 -0.993 1.00 0.00 O ATOM 0 H GLU A 25 0.521 -25.105 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 25 1.579 -27.784 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.385 -25.355 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.393 -25.492 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.217 -27.946 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.987 -26.575 -3.040 1.00 0.00 H new ATOM 378 N GLU A 26 1.355 -25.978 1.690 1.00 0.00 N ATOM 379 CA GLU A 26 1.563 -25.984 3.124 1.00 0.00 C ATOM 380 C GLU A 26 0.738 -27.070 3.772 1.00 0.00 C ATOM 381 O GLU A 26 0.988 -27.473 4.909 1.00 0.00 O ATOM 382 CB GLU A 26 1.208 -24.621 3.728 1.00 0.00 C ATOM 383 CG GLU A 26 2.144 -23.509 3.304 1.00 0.00 C ATOM 384 CD GLU A 26 1.716 -22.158 3.831 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.893 -21.494 3.172 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.208 -21.764 4.911 1.00 0.00 O ATOM 0 H GLU A 26 0.703 -25.268 1.356 1.00 0.00 H new ATOM 0 HA GLU A 26 2.618 -26.183 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.190 -24.358 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.220 -24.700 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.151 -23.731 3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.190 -23.473 2.216 1.00 0.00 H new ATOM 393 N GLU A 27 -0.271 -27.542 3.040 1.00 0.00 N ATOM 394 CA GLU A 27 -1.167 -28.568 3.532 1.00 0.00 C ATOM 395 C GLU A 27 -2.212 -27.938 4.438 1.00 0.00 C ATOM 396 O GLU A 27 -2.950 -28.640 5.135 1.00 0.00 O ATOM 397 CB GLU A 27 -0.401 -29.666 4.285 1.00 0.00 C ATOM 398 CG GLU A 27 -0.832 -31.073 3.931 1.00 0.00 C ATOM 399 CD GLU A 27 0.222 -31.831 3.145 1.00 0.00 C ATOM 400 OE1 GLU A 27 0.206 -31.743 1.893 1.00 0.00 O ATOM 401 OE2 GLU A 27 1.063 -32.509 3.776 1.00 0.00 O ATOM 0 H GLU A 27 -0.483 -27.221 2.095 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.658 -29.035 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.664 -29.560 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.532 -29.516 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.059 -31.620 4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.752 -31.030 3.349 1.00 0.00 H new ATOM 408 N ASN A 28 -2.275 -26.608 4.428 1.00 0.00 N ATOM 409 CA ASN A 28 -3.249 -25.905 5.244 1.00 0.00 C ATOM 410 C ASN A 28 -4.638 -26.393 4.915 1.00 0.00 C ATOM 411 O ASN A 28 -5.269 -27.075 5.725 1.00 0.00 O ATOM 412 CB ASN A 28 -3.208 -24.385 5.023 1.00 0.00 C ATOM 413 CG ASN A 28 -1.866 -23.863 4.570 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.810 -23.427 3.322 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.898 -23.855 5.324 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.669 -26.006 3.870 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.997 -26.110 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.960 -24.116 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.485 -23.886 5.952 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.992 -24.202 6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.001 -23.501 4.996 1.00 0.00 H new ATOM 422 N THR A 29 -5.108 -26.026 3.718 1.00 0.00 N ATOM 423 CA THR A 29 -6.443 -26.416 3.273 1.00 0.00 C ATOM 424 C THR A 29 -6.965 -25.524 2.153 1.00 0.00 C ATOM 425 O THR A 29 -7.515 -26.006 1.163 1.00 0.00 O ATOM 426 CB THR A 29 -7.426 -26.347 4.443 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.767 -26.348 3.976 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.234 -25.100 5.278 1.00 0.00 C ATOM 0 H THR A 29 -4.585 -25.463 3.047 1.00 0.00 H new ATOM 0 HA THR A 29 -6.363 -27.435 2.893 1.00 0.00 H new ATOM 0 HB THR A 29 -7.228 -27.227 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.379 -26.305 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.954 -25.096 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.223 -25.086 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.387 -24.218 4.656 1.00 0.00 H new ATOM 436 N ASP A 30 -6.818 -24.208 2.337 1.00 0.00 N ATOM 437 CA ASP A 30 -7.305 -23.233 1.368 1.00 0.00 C ATOM 438 C ASP A 30 -7.130 -21.845 1.949 1.00 0.00 C ATOM 439 O ASP A 30 -8.095 -21.152 2.276 1.00 0.00 O ATOM 440 CB ASP A 30 -8.777 -23.486 1.029 1.00 0.00 C ATOM 441 CG ASP A 30 -8.953 -24.186 -0.307 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.095 -23.993 -1.194 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.946 -24.922 -0.464 1.00 0.00 O ATOM 0 H ASP A 30 -6.363 -23.797 3.152 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.733 -23.325 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.229 -24.091 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.311 -22.536 1.011 1.00 0.00 H new ATOM 448 N LEU A 31 -5.879 -21.478 2.103 1.00 0.00 N ATOM 449 CA LEU A 31 -5.505 -20.210 2.679 1.00 0.00 C ATOM 450 C LEU A 31 -6.057 -19.028 1.904 1.00 0.00 C ATOM 451 O LEU A 31 -6.319 -19.113 0.706 1.00 0.00 O ATOM 452 CB LEU A 31 -3.987 -20.131 2.724 1.00 0.00 C ATOM 453 CG LEU A 31 -3.386 -20.067 4.113 1.00 0.00 C ATOM 454 CD1 LEU A 31 -4.033 -18.954 4.901 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.560 -21.393 4.828 1.00 0.00 C ATOM 0 H LEU A 31 -5.086 -22.058 1.829 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.932 -20.155 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.578 -21.000 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.668 -19.250 2.166 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.319 -19.863 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.596 -18.913 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.866 -18.004 4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.104 -19.140 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.123 -21.329 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.622 -21.624 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.061 -22.180 4.262 1.00 0.00 H new ATOM 467 N LYS A 32 -6.206 -17.918 2.614 1.00 0.00 N ATOM 468 CA LYS A 32 -6.703 -16.683 2.029 1.00 0.00 C ATOM 469 C LYS A 32 -5.637 -15.602 2.153 1.00 0.00 C ATOM 470 O LYS A 32 -5.122 -15.351 3.243 1.00 0.00 O ATOM 471 CB LYS A 32 -8.004 -16.222 2.711 1.00 0.00 C ATOM 472 CG LYS A 32 -8.603 -17.225 3.690 1.00 0.00 C ATOM 473 CD LYS A 32 -10.121 -17.271 3.586 1.00 0.00 C ATOM 474 CE LYS A 32 -10.735 -15.906 3.828 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.407 -15.834 5.155 1.00 0.00 N ATOM 0 H LYS A 32 -5.986 -17.849 3.608 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.926 -16.864 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.809 -15.290 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.743 -16.002 1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.194 -18.216 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.315 -16.958 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.409 -17.631 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.515 -17.983 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.959 -15.142 3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.457 -15.687 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.815 -14.887 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.163 -16.546 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.712 -16.019 5.906 1.00 0.00 H new ATOM 489 N LEU A 33 -5.296 -14.974 1.037 1.00 0.00 N ATOM 490 CA LEU A 33 -4.281 -13.938 1.029 1.00 0.00 C ATOM 491 C LEU A 33 -4.661 -12.788 1.954 1.00 0.00 C ATOM 492 O LEU A 33 -5.835 -12.454 2.096 1.00 0.00 O ATOM 493 CB LEU A 33 -4.096 -13.422 -0.399 1.00 0.00 C ATOM 494 CG LEU A 33 -2.786 -12.685 -0.677 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.831 -11.278 -0.099 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.598 -13.457 -0.122 1.00 0.00 C ATOM 0 H LEU A 33 -5.710 -15.166 0.125 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.346 -14.364 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.167 -14.268 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.924 -12.753 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.663 -12.609 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.890 -10.769 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.652 -10.724 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.984 -11.332 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.679 -12.911 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.711 -13.574 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.552 -14.440 -0.590 1.00 0.00 H new ATOM 508 N ARG A 34 -3.652 -12.179 2.567 1.00 0.00 N ATOM 509 CA ARG A 34 -3.865 -11.052 3.464 1.00 0.00 C ATOM 510 C ARG A 34 -2.753 -10.028 3.281 1.00 0.00 C ATOM 511 O ARG A 34 -1.658 -10.169 3.822 1.00 0.00 O ATOM 512 CB ARG A 34 -3.932 -11.519 4.916 1.00 0.00 C ATOM 513 CG ARG A 34 -4.105 -10.386 5.917 1.00 0.00 C ATOM 514 CD ARG A 34 -3.291 -10.627 7.178 1.00 0.00 C ATOM 515 NE ARG A 34 -3.443 -9.541 8.142 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.922 -8.327 7.980 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.215 -8.040 6.894 1.00 0.00 N ATOM 518 NH2 ARG A 34 -3.110 -7.396 8.906 1.00 0.00 N ATOM 0 H ARG A 34 -2.675 -12.449 2.457 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.819 -10.585 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.761 -12.218 5.025 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.020 -12.066 5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.799 -9.445 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.159 -10.286 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.602 -11.565 7.637 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.239 -10.734 6.915 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.980 -9.723 8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.069 -8.752 6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.818 -7.108 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.654 -7.611 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.711 -6.466 8.782 1.00 0.00 H new ATOM 532 N VAL A 35 -3.041 -9.016 2.482 1.00 0.00 N ATOM 533 CA VAL A 35 -2.071 -7.976 2.173 1.00 0.00 C ATOM 534 C VAL A 35 -1.839 -7.001 3.317 1.00 0.00 C ATOM 535 O VAL A 35 -2.694 -6.795 4.179 1.00 0.00 O ATOM 536 CB VAL A 35 -2.512 -7.157 0.954 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.367 -6.308 0.434 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.045 -8.063 -0.131 1.00 0.00 C ATOM 0 H VAL A 35 -3.947 -8.890 2.031 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.141 -8.510 1.976 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.315 -6.488 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.702 -5.735 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.037 -5.624 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.538 -6.954 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.353 -7.463 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.266 -8.761 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.902 -8.620 0.248 1.00 0.00 H new ATOM 548 N TYR A 36 -0.669 -6.382 3.270 1.00 0.00 N ATOM 549 CA TYR A 36 -0.257 -5.378 4.242 1.00 0.00 C ATOM 550 C TYR A 36 0.576 -4.317 3.530 1.00 0.00 C ATOM 551 O TYR A 36 0.849 -4.439 2.337 1.00 0.00 O ATOM 552 CB TYR A 36 0.548 -6.009 5.382 1.00 0.00 C ATOM 553 CG TYR A 36 1.273 -7.275 4.987 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.572 -8.446 4.746 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.656 -7.294 4.854 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.226 -9.606 4.382 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.318 -8.450 4.490 1.00 0.00 C ATOM 558 CZ TYR A 36 2.599 -9.604 4.255 1.00 0.00 C ATOM 559 OH TYR A 36 3.255 -10.758 3.891 1.00 0.00 O ATOM 0 H TYR A 36 0.029 -6.564 2.549 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.145 -4.922 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.275 -5.283 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.125 -6.230 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.503 -8.451 4.845 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.221 -6.392 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.665 -10.510 4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.393 -8.451 4.390 1.00 0.00 H new ATOM 0 HH TYR A 36 4.219 -10.586 3.845 1.00 0.00 H new ATOM 569 N ILE A 37 0.978 -3.281 4.251 1.00 0.00 N ATOM 570 CA ILE A 37 1.777 -2.219 3.651 1.00 0.00 C ATOM 571 C ILE A 37 3.265 -2.557 3.714 1.00 0.00 C ATOM 572 O ILE A 37 3.862 -2.584 4.791 1.00 0.00 O ATOM 573 CB ILE A 37 1.509 -0.861 4.334 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.132 -0.330 3.931 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.582 0.153 3.971 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.014 -0.109 2.442 1.00 0.00 C ATOM 0 H ILE A 37 0.768 -3.152 5.241 1.00 0.00 H new ATOM 0 HA ILE A 37 1.482 -2.137 2.605 1.00 0.00 H new ATOM 0 HB ILE A 37 1.533 -1.014 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.632 -1.033 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.053 0.610 4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.369 1.101 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.555 -0.215 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.592 0.301 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.014 0.268 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.727 0.617 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.139 -1.052 1.917 1.00 0.00 H new ATOM 672 N GLN A 46 3.305 -1.956 -3.890 1.00 0.00 N ATOM 673 CA GLN A 46 3.668 -3.360 -3.732 1.00 0.00 C ATOM 674 C GLN A 46 2.752 -4.058 -2.736 1.00 0.00 C ATOM 675 O GLN A 46 1.903 -4.855 -3.119 1.00 0.00 O ATOM 676 CB GLN A 46 5.125 -3.485 -3.290 1.00 0.00 C ATOM 677 CG GLN A 46 6.052 -2.503 -3.985 1.00 0.00 C ATOM 678 CD GLN A 46 7.441 -2.507 -3.391 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.900 -1.507 -2.839 1.00 0.00 O ATOM 680 NE2 GLN A 46 8.118 -3.639 -3.502 1.00 0.00 N ATOM 0 HA GLN A 46 3.548 -3.849 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.185 -3.330 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.471 -4.500 -3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.112 -2.751 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.632 -1.499 -3.916 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.696 -4.442 -3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.062 -3.708 -3.121 1.00 0.00 H new ATOM 689 N TYR A 47 2.927 -3.757 -1.456 1.00 0.00 N ATOM 690 CA TYR A 47 2.109 -4.366 -0.414 1.00 0.00 C ATOM 691 C TYR A 47 2.492 -5.827 -0.210 1.00 0.00 C ATOM 692 O TYR A 47 2.405 -6.638 -1.132 1.00 0.00 O ATOM 693 CB TYR A 47 0.625 -4.258 -0.765 1.00 0.00 C ATOM 694 CG TYR A 47 0.234 -2.922 -1.351 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.153 -1.792 -0.550 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.062 -2.795 -2.700 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.212 -0.569 -1.077 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.427 -1.575 -3.238 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.502 -0.465 -2.421 1.00 0.00 C ATOM 700 OH TYR A 47 -0.868 0.751 -2.951 1.00 0.00 O ATOM 0 H TYR A 47 3.626 -3.097 -1.114 1.00 0.00 H new ATOM 0 HA TYR A 47 2.291 -3.827 0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.371 -5.045 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.034 -4.437 0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.379 -1.870 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.006 -3.663 -3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.270 0.301 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.652 -1.491 -4.291 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.778 0.973 -2.663 1.00 0.00 H new ATOM 710 N GLY A 48 2.919 -6.150 1.003 1.00 0.00 N ATOM 711 CA GLY A 48 3.317 -7.512 1.315 1.00 0.00 C ATOM 712 C GLY A 48 2.134 -8.449 1.448 1.00 0.00 C ATOM 713 O GLY A 48 1.155 -8.131 2.120 1.00 0.00 O ATOM 0 H GLY A 48 2.998 -5.493 1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.981 -7.880 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.886 -7.516 2.245 1.00 0.00 H new ATOM 717 N PHE A 49 2.220 -9.599 0.788 1.00 0.00 N ATOM 718 CA PHE A 49 1.147 -10.584 0.816 1.00 0.00 C ATOM 719 C PHE A 49 1.465 -11.769 1.722 1.00 0.00 C ATOM 720 O PHE A 49 2.551 -12.345 1.657 1.00 0.00 O ATOM 721 CB PHE A 49 0.885 -11.099 -0.596 1.00 0.00 C ATOM 722 CG PHE A 49 -0.017 -10.215 -1.396 1.00 0.00 C ATOM 723 CD1 PHE A 49 0.068 -8.839 -1.283 1.00 0.00 C ATOM 724 CD2 PHE A 49 -0.956 -10.760 -2.249 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.768 -8.021 -2.009 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.799 -9.951 -2.979 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.706 -8.576 -2.859 1.00 0.00 C ATOM 0 H PHE A 49 3.026 -9.872 0.225 1.00 0.00 H new ATOM 0 HA PHE A 49 0.265 -10.084 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.836 -11.203 -1.119 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.445 -12.094 -0.535 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.798 -8.402 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.031 -11.833 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.691 -6.948 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.530 -10.389 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.365 -7.937 -3.428 1.00 0.00 H new ATOM 737 N THR A 50 0.484 -12.149 2.532 1.00 0.00 N ATOM 738 CA THR A 50 0.618 -13.297 3.426 1.00 0.00 C ATOM 739 C THR A 50 -0.566 -14.235 3.218 1.00 0.00 C ATOM 740 O THR A 50 -1.528 -13.882 2.541 1.00 0.00 O ATOM 741 CB THR A 50 0.695 -12.861 4.891 1.00 0.00 C ATOM 742 OG1 THR A 50 1.173 -13.915 5.695 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.639 -12.427 5.451 1.00 0.00 C ATOM 0 H THR A 50 -0.418 -11.677 2.589 1.00 0.00 H new ATOM 0 HA THR A 50 1.547 -13.814 3.188 1.00 0.00 H new ATOM 0 HB THR A 50 1.374 -12.009 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.218 -13.620 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.517 -12.130 6.493 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.018 -11.583 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.346 -13.254 5.390 1.00 0.00 H new ATOM 751 N PHE A 51 -0.502 -15.424 3.794 1.00 0.00 N ATOM 752 CA PHE A 51 -1.580 -16.383 3.643 1.00 0.00 C ATOM 753 C PHE A 51 -2.286 -16.590 4.973 1.00 0.00 C ATOM 754 O PHE A 51 -1.816 -17.310 5.842 1.00 0.00 O ATOM 755 CB PHE A 51 -1.016 -17.679 3.057 1.00 0.00 C ATOM 756 CG PHE A 51 -0.017 -17.388 1.973 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.440 -16.954 0.727 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.341 -17.494 2.218 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.477 -16.630 -0.257 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.263 -17.182 1.236 1.00 0.00 C ATOM 761 CZ PHE A 51 1.829 -16.745 -0.002 1.00 0.00 C ATOM 0 H PHE A 51 0.279 -15.745 4.366 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.333 -16.008 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.543 -18.264 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.828 -18.285 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.497 -16.868 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.684 -17.824 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.136 -16.288 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.320 -17.279 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.547 -16.494 -0.769 1.00 0.00 H new ATOM 771 N ASP A 52 -3.415 -15.903 5.111 1.00 0.00 N ATOM 772 CA ASP A 52 -4.222 -15.937 6.326 1.00 0.00 C ATOM 773 C ASP A 52 -5.587 -16.573 6.072 1.00 0.00 C ATOM 774 O ASP A 52 -6.441 -15.996 5.399 1.00 0.00 O ATOM 775 CB ASP A 52 -4.378 -14.509 6.856 1.00 0.00 C ATOM 776 CG ASP A 52 -5.396 -14.391 7.969 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.609 -14.467 7.675 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.984 -14.219 9.134 1.00 0.00 O ATOM 0 H ASP A 52 -3.798 -15.304 4.380 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.717 -16.552 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.412 -14.156 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.670 -13.854 6.035 1.00 0.00 H new ATOM 783 N GLU A 53 -5.773 -17.777 6.596 1.00 0.00 N ATOM 784 CA GLU A 53 -7.014 -18.525 6.421 1.00 0.00 C ATOM 785 C GLU A 53 -8.149 -17.978 7.285 1.00 0.00 C ATOM 786 O GLU A 53 -9.317 -18.112 6.928 1.00 0.00 O ATOM 787 CB GLU A 53 -6.781 -20.004 6.761 1.00 0.00 C ATOM 788 CG GLU A 53 -7.202 -20.950 5.650 1.00 0.00 C ATOM 789 CD GLU A 53 -8.339 -21.860 6.056 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.176 -22.597 7.056 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.387 -21.849 5.385 1.00 0.00 O ATOM 0 H GLU A 53 -5.071 -18.263 7.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.312 -18.418 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.724 -20.157 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.332 -20.252 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.501 -20.369 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.347 -21.556 5.351 1.00 0.00 H new ATOM 881 N LEU A 60 -10.487 -5.744 5.446 1.00 0.00 N ATOM 882 CA LEU A 60 -11.405 -5.946 4.329 1.00 0.00 C ATOM 883 C LEU A 60 -10.985 -7.175 3.545 1.00 0.00 C ATOM 884 O LEU A 60 -9.814 -7.535 3.551 1.00 0.00 O ATOM 885 CB LEU A 60 -11.453 -4.714 3.420 1.00 0.00 C ATOM 886 CG LEU A 60 -11.634 -3.371 4.135 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.218 -2.342 3.181 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.524 -3.523 5.366 1.00 0.00 C ATOM 0 HA LEU A 60 -12.409 -6.098 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.530 -4.676 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.270 -4.840 2.710 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.655 -3.026 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.342 -1.392 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.545 -2.207 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.187 -2.688 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.637 -2.556 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.504 -3.893 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.068 -4.230 6.060 1.00 0.00 H new ATOM 900 N THR A 61 -11.934 -7.847 2.902 1.00 0.00 N ATOM 901 CA THR A 61 -11.600 -9.061 2.166 1.00 0.00 C ATOM 902 C THR A 61 -12.251 -9.140 0.787 1.00 0.00 C ATOM 903 O THR A 61 -13.473 -9.013 0.644 1.00 0.00 O ATOM 904 CB THR A 61 -11.985 -10.295 2.992 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.304 -10.719 2.686 1.00 0.00 O ATOM 906 CG2 THR A 61 -11.923 -10.066 4.490 1.00 0.00 C ATOM 0 H THR A 61 -12.918 -7.580 2.874 1.00 0.00 H new ATOM 0 HA THR A 61 -10.523 -9.033 2.000 1.00 0.00 H new ATOM 0 HB THR A 61 -11.249 -11.053 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.731 -10.061 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.208 -10.981 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.908 -9.788 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.609 -9.264 4.764 1.00 0.00 H new ATOM 914 N ILE A 62 -11.417 -9.400 -0.205 1.00 0.00 N ATOM 915 CA ILE A 62 -11.844 -9.565 -1.584 1.00 0.00 C ATOM 916 C ILE A 62 -11.530 -10.995 -2.022 1.00 0.00 C ATOM 917 O ILE A 62 -10.403 -11.452 -1.864 1.00 0.00 O ATOM 918 CB ILE A 62 -11.123 -8.582 -2.537 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.789 -8.109 -1.940 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.022 -7.402 -2.865 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.933 -7.130 -0.792 1.00 0.00 C ATOM 0 H ILE A 62 -10.411 -9.504 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.913 -9.358 -1.636 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.900 -9.110 -3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.231 -8.979 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.196 -7.643 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.498 -6.721 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.931 -7.760 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.283 -6.877 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.945 -6.847 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.462 -6.241 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.496 -7.597 0.016 1.00 0.00 H new ATOM 933 N GLU A 63 -12.511 -11.713 -2.551 1.00 0.00 N ATOM 934 CA GLU A 63 -12.277 -13.093 -2.969 1.00 0.00 C ATOM 935 C GLU A 63 -11.190 -13.166 -4.035 1.00 0.00 C ATOM 936 O GLU A 63 -10.971 -12.209 -4.780 1.00 0.00 O ATOM 937 CB GLU A 63 -13.566 -13.717 -3.493 1.00 0.00 C ATOM 938 CG GLU A 63 -13.525 -15.235 -3.560 1.00 0.00 C ATOM 939 CD GLU A 63 -14.895 -15.847 -3.771 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.618 -15.374 -4.671 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.229 -16.796 -3.043 1.00 0.00 O ATOM 0 H GLU A 63 -13.461 -11.373 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.940 -13.654 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.394 -13.412 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.772 -13.323 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.866 -15.541 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.096 -15.624 -2.637 1.00 0.00 H new ATOM 948 N LYS A 64 -10.502 -14.303 -4.099 1.00 0.00 N ATOM 949 CA LYS A 64 -9.431 -14.491 -5.070 1.00 0.00 C ATOM 950 C LYS A 64 -9.786 -15.565 -6.088 1.00 0.00 C ATOM 951 O LYS A 64 -10.787 -16.269 -5.949 1.00 0.00 O ATOM 952 CB LYS A 64 -8.121 -14.851 -4.363 1.00 0.00 C ATOM 953 CG LYS A 64 -7.645 -13.771 -3.402 1.00 0.00 C ATOM 954 CD LYS A 64 -6.224 -14.011 -2.901 1.00 0.00 C ATOM 955 CE LYS A 64 -5.183 -13.561 -3.915 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.830 -12.126 -3.749 1.00 0.00 N ATOM 0 H LYS A 64 -10.667 -15.105 -3.491 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.300 -13.549 -5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.255 -15.783 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.349 -15.030 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.691 -12.802 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.323 -13.725 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.074 -13.475 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.088 -15.071 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.285 -14.170 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.563 -13.727 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.840 -11.977 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.451 -11.544 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.952 -11.852 -2.753 1.00 0.00 H new ATOM 970 N SER A 65 -8.954 -15.676 -7.116 1.00 0.00 N ATOM 971 CA SER A 65 -9.154 -16.646 -8.181 1.00 0.00 C ATOM 972 C SER A 65 -9.420 -18.040 -7.631 1.00 0.00 C ATOM 973 O SER A 65 -10.283 -18.768 -8.140 1.00 0.00 O ATOM 974 CB SER A 65 -7.924 -16.676 -9.088 1.00 0.00 C ATOM 975 OG SER A 65 -8.297 -16.599 -10.456 1.00 0.00 O ATOM 0 H SER A 65 -8.123 -15.096 -7.233 1.00 0.00 H new ATOM 0 HA SER A 65 -10.030 -16.339 -8.752 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.265 -15.844 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.361 -17.592 -8.912 1.00 0.00 H new ATOM 0 HG SER A 65 -7.493 -16.618 -11.016 1.00 0.00 H new ATOM 981 N GLY A 66 -8.673 -18.424 -6.605 1.00 0.00 N ATOM 982 CA GLY A 66 -8.841 -19.748 -6.024 1.00 0.00 C ATOM 983 C GLY A 66 -8.897 -19.724 -4.507 1.00 0.00 C ATOM 984 O GLY A 66 -8.868 -20.776 -3.868 1.00 0.00 O ATOM 0 H GLY A 66 -7.956 -17.848 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.757 -20.195 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.017 -20.386 -6.342 1.00 0.00 H new ATOM 988 N VAL A 67 -8.978 -18.533 -3.927 1.00 0.00 N ATOM 989 CA VAL A 67 -9.033 -18.391 -2.474 1.00 0.00 C ATOM 990 C VAL A 67 -9.724 -17.082 -2.080 1.00 0.00 C ATOM 991 O VAL A 67 -10.636 -16.626 -2.770 1.00 0.00 O ATOM 992 CB VAL A 67 -7.618 -18.457 -1.862 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.894 -19.709 -2.303 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.813 -17.224 -2.237 1.00 0.00 C ATOM 0 H VAL A 67 -9.007 -17.651 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.618 -19.221 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.724 -18.487 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.899 -19.730 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.455 -20.586 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.805 -19.714 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.819 -17.291 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.725 -17.163 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.317 -16.333 -1.863 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.286 -16.472 -0.974 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.867 -15.218 -0.514 1.00 0.00 C ATOM 1006 C GLN A 68 -8.776 -14.227 -0.103 1.00 0.00 C ATOM 1007 O GLN A 68 -7.820 -14.591 0.579 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.814 -15.479 0.661 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.281 -15.279 0.315 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.809 -13.946 0.789 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -11.997 -12.907 0.669 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -13.940 -13.848 1.263 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.533 -16.829 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.431 -14.779 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.668 -16.500 1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.550 -14.816 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.410 -15.354 -0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.869 -16.080 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.535 -14.673 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.283 -12.941 1.581 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.924 -12.976 -0.524 1.00 0.00 N ATOM 1022 CA LEU A 69 -7.951 -11.937 -0.197 1.00 0.00 C ATOM 1023 C LEU A 69 -8.478 -11.032 0.916 1.00 0.00 C ATOM 1024 O LEU A 69 -9.646 -10.658 0.913 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.627 -11.103 -1.442 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.783 -9.849 -1.203 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.706 -10.103 -0.163 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.151 -9.399 -2.503 1.00 0.00 C ATOM 0 H LEU A 69 -9.708 -12.655 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.040 -12.421 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.104 -11.739 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.565 -10.803 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.438 -9.063 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.122 -9.194 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.171 -10.394 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.050 -10.903 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.552 -8.506 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.513 -10.193 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.933 -9.174 -3.229 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.615 -10.691 1.871 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.011 -9.834 2.986 1.00 0.00 C ATOM 1042 C VAL A 70 -6.870 -8.885 3.377 1.00 0.00 C ATOM 1043 O VAL A 70 -5.858 -9.304 3.929 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.486 -10.673 4.209 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.790 -12.106 3.795 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.477 -10.666 5.350 1.00 0.00 C ATOM 0 H VAL A 70 -6.641 -10.994 1.895 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.856 -9.230 2.656 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.398 -10.200 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.120 -12.674 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.577 -12.108 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.891 -12.564 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.858 -11.266 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.532 -11.085 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.317 -9.642 5.688 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.034 -7.600 3.080 1.00 0.00 N ATOM 1057 CA ILE A 71 -5.998 -6.619 3.401 1.00 0.00 C ATOM 1058 C ILE A 71 -6.351 -5.817 4.651 1.00 0.00 C ATOM 1059 O ILE A 71 -7.456 -5.925 5.182 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.711 -5.661 2.217 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.688 -4.483 2.200 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.767 -6.416 0.898 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.141 -4.899 2.210 1.00 0.00 C ATOM 0 H ILE A 71 -7.861 -7.215 2.624 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.090 -7.188 3.599 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.707 -5.258 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.495 -3.849 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.498 -3.878 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.563 -5.729 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.020 -7.210 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.758 -6.851 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.774 -4.011 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.351 -5.507 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.347 -5.478 3.110 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.390 -5.031 5.126 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.582 -4.230 6.334 1.00 0.00 C ATOM 1077 C ASP A 72 -6.024 -2.799 6.021 1.00 0.00 C ATOM 1078 O ASP A 72 -5.634 -2.220 5.006 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.294 -4.203 7.158 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.118 -3.652 6.376 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.062 -3.881 5.148 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.254 -2.993 6.989 1.00 0.00 O ATOM 0 H ASP A 72 -4.471 -4.930 4.695 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.380 -4.702 6.907 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.450 -3.596 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.061 -5.213 7.496 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.853 -2.212 6.911 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.361 -0.845 6.757 1.00 0.00 C ATOM 1089 C PRO A 73 -6.284 0.137 6.310 1.00 0.00 C ATOM 1090 O PRO A 73 -6.535 1.022 5.496 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.840 -0.500 8.163 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.260 -1.805 8.744 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.353 -2.847 8.140 1.00 0.00 C ATOM 0 HA PRO A 73 -8.133 -0.780 5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.046 -0.041 8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.668 0.208 8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.171 -1.794 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.304 -2.016 8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.538 -3.107 8.815 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.893 -3.769 7.922 1.00 0.00 H new ATOM 1101 N MET A 74 -5.078 -0.026 6.839 1.00 0.00 N ATOM 1102 CA MET A 74 -3.975 0.844 6.477 1.00 0.00 C ATOM 1103 C MET A 74 -3.770 0.802 4.964 1.00 0.00 C ATOM 1104 O MET A 74 -3.612 1.827 4.303 1.00 0.00 O ATOM 1105 CB MET A 74 -2.707 0.428 7.240 1.00 0.00 C ATOM 1106 CG MET A 74 -1.409 0.563 6.458 1.00 0.00 C ATOM 1107 SD MET A 74 -0.002 0.963 7.513 1.00 0.00 S ATOM 1108 CE MET A 74 -0.320 2.693 7.858 1.00 0.00 C ATOM 0 H MET A 74 -4.843 -0.751 7.517 1.00 0.00 H new ATOM 0 HA MET A 74 -4.203 1.872 6.757 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.632 1.031 8.145 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.816 -0.609 7.556 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.209 -0.369 5.930 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.524 1.340 5.702 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.573 3.149 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.583 3.206 6.933 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.144 2.777 8.567 1.00 0.00 H new ATOM 1118 N SER A 75 -3.804 -0.393 4.415 1.00 0.00 N ATOM 1119 CA SER A 75 -3.654 -0.559 2.983 1.00 0.00 C ATOM 1120 C SER A 75 -4.945 -0.165 2.273 1.00 0.00 C ATOM 1121 O SER A 75 -4.919 0.312 1.140 1.00 0.00 O ATOM 1122 CB SER A 75 -3.291 -2.007 2.649 1.00 0.00 C ATOM 1123 OG SER A 75 -2.491 -2.076 1.482 1.00 0.00 O ATOM 0 H SER A 75 -3.934 -1.261 4.934 1.00 0.00 H new ATOM 0 HA SER A 75 -2.848 0.090 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.756 -2.454 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.201 -2.589 2.505 1.00 0.00 H new ATOM 0 HG SER A 75 -2.271 -3.012 1.291 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.079 -0.371 2.947 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.390 -0.051 2.381 1.00 0.00 C ATOM 1131 C LEU A 76 -7.381 1.291 1.657 1.00 0.00 C ATOM 1132 O LEU A 76 -7.912 1.413 0.557 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.457 -0.074 3.482 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.515 1.024 3.418 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.716 0.620 4.245 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.956 2.336 3.932 1.00 0.00 C ATOM 0 H LEU A 76 -6.114 -0.760 3.889 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.632 -0.812 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.962 -1.039 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.955 -0.010 4.447 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.816 1.160 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.471 1.405 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.133 -0.308 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.411 0.471 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.726 3.106 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.636 2.215 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.103 2.632 3.321 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.781 2.292 2.284 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.714 3.622 1.696 1.00 0.00 C ATOM 1150 C GLN A 77 -5.551 3.733 0.712 1.00 0.00 C ATOM 1151 O GLN A 77 -5.532 4.623 -0.138 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.644 4.704 2.791 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.258 5.283 3.057 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.762 4.955 4.446 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.816 3.679 4.794 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.335 5.834 5.194 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.335 2.209 3.197 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.630 3.789 1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.312 5.520 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.026 4.281 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.555 4.894 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.287 6.365 2.929 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.313 6.804 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.003 5.592 6.128 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.579 2.830 0.830 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.424 2.837 -0.055 1.00 0.00 C ATOM 1167 C TYR A 78 -3.726 2.122 -1.372 1.00 0.00 C ATOM 1168 O TYR A 78 -3.271 2.542 -2.437 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.231 2.153 0.613 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.572 2.968 1.701 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.315 3.513 2.737 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.198 3.176 1.699 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.712 4.244 3.740 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.413 3.907 2.698 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.348 4.439 3.718 1.00 0.00 C ATOM 1176 OH TYR A 78 0.258 5.166 4.716 1.00 0.00 O ATOM 0 H TYR A 78 -4.571 2.087 1.529 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.185 3.880 -0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.562 1.205 1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.488 1.920 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.384 3.363 2.759 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.401 2.759 0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.307 4.662 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.482 4.062 2.681 1.00 0.00 H new ATOM 0 HH TYR A 78 1.223 5.207 4.551 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.466 1.020 -1.284 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.795 0.218 -2.465 1.00 0.00 C ATOM 1188 C LEU A 79 -6.099 0.640 -3.146 1.00 0.00 C ATOM 1189 O LEU A 79 -6.359 0.252 -4.280 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.792 -1.287 -2.134 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.836 -1.830 -1.142 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.174 -2.144 0.179 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.000 -0.879 -0.928 1.00 0.00 C ATOM 0 H LEU A 79 -4.850 0.660 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.006 0.412 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.912 -1.831 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.805 -1.537 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.248 -2.739 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.918 -2.528 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.398 -2.894 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.728 -1.237 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.702 -1.317 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.629 0.067 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.505 -0.703 -1.878 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.931 1.396 -2.437 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.240 1.832 -2.954 1.00 0.00 C ATOM 1207 C ILE A 80 -8.369 1.714 -4.478 1.00 0.00 C ATOM 1208 O ILE A 80 -7.589 2.285 -5.239 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.549 3.293 -2.562 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.670 4.262 -3.349 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.358 3.500 -1.075 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.191 4.003 -3.182 1.00 0.00 C ATOM 0 H ILE A 80 -6.727 1.726 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.956 1.152 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.591 3.495 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.926 4.195 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.891 5.281 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.581 4.536 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.029 2.839 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.326 3.274 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.626 4.728 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.921 4.098 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.957 2.996 -3.527 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.390 0.965 -4.887 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.699 0.744 -6.293 1.00 0.00 C ATOM 1226 C GLY A 81 -8.501 0.713 -7.230 1.00 0.00 C ATOM 1227 O GLY A 81 -8.618 1.112 -8.390 1.00 0.00 O ATOM 0 H GLY A 81 -10.028 0.493 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.235 -0.201 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.378 1.529 -6.626 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.361 0.230 -6.755 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.188 0.154 -7.611 1.00 0.00 C ATOM 1233 C GLY A 82 -6.154 -1.137 -8.410 1.00 0.00 C ATOM 1234 O GLY A 82 -7.201 -1.706 -8.718 1.00 0.00 O ATOM 0 H GLY A 82 -7.225 -0.108 -5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.181 1.004 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.288 0.227 -7.001 1.00 0.00 H new ATOM 1238 N THR A 83 -4.955 -1.607 -8.741 1.00 0.00 N ATOM 1239 CA THR A 83 -4.803 -2.847 -9.499 1.00 0.00 C ATOM 1240 C THR A 83 -3.491 -3.540 -9.137 1.00 0.00 C ATOM 1241 O THR A 83 -2.444 -2.900 -9.064 1.00 0.00 O ATOM 1242 CB THR A 83 -4.854 -2.571 -11.003 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.178 -2.277 -11.413 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.360 -3.732 -11.839 1.00 0.00 C ATOM 0 H THR A 83 -4.076 -1.150 -8.498 1.00 0.00 H new ATOM 0 HA THR A 83 -5.631 -3.507 -9.238 1.00 0.00 H new ATOM 0 HB THR A 83 -4.193 -1.720 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.750 -2.175 -10.624 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.422 -3.472 -12.896 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.324 -3.952 -11.580 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.977 -4.609 -11.644 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.551 -4.851 -8.916 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.355 -5.615 -8.567 1.00 0.00 C ATOM 1254 C VAL A 84 -2.194 -6.839 -9.456 1.00 0.00 C ATOM 1255 O VAL A 84 -3.173 -7.420 -9.921 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.344 -6.068 -7.080 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.621 -5.678 -6.356 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.095 -7.564 -6.958 1.00 0.00 C ATOM 0 H VAL A 84 -4.407 -5.403 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.518 -4.935 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.519 -5.543 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.569 -6.014 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.737 -4.594 -6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.475 -6.145 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.093 -7.848 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.883 -8.108 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.130 -7.810 -7.401 1.00 0.00 H new ATOM 1268 N ASP A 85 -0.946 -7.238 -9.661 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.644 -8.412 -10.464 1.00 0.00 C ATOM 1270 C ASP A 85 0.655 -9.065 -10.008 1.00 0.00 C ATOM 1271 O ASP A 85 1.605 -8.381 -9.627 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.562 -8.053 -11.947 1.00 0.00 C ATOM 1273 CG ASP A 85 0.101 -6.711 -12.189 1.00 0.00 C ATOM 1274 OD1 ASP A 85 1.343 -6.632 -12.073 1.00 0.00 O ATOM 1275 OD2 ASP A 85 -0.620 -5.738 -12.493 1.00 0.00 O ATOM 0 H ASP A 85 -0.126 -6.764 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.456 -9.126 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.006 -8.828 -12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.567 -8.038 -12.369 1.00 0.00 H new ATOM 1280 N TYR A 86 0.690 -10.390 -10.052 1.00 0.00 N ATOM 1281 CA TYR A 86 1.871 -11.138 -9.649 1.00 0.00 C ATOM 1282 C TYR A 86 2.443 -11.916 -10.825 1.00 0.00 C ATOM 1283 O TYR A 86 1.703 -12.443 -11.655 1.00 0.00 O ATOM 1284 CB TYR A 86 1.517 -12.097 -8.518 1.00 0.00 C ATOM 1285 CG TYR A 86 2.385 -11.948 -7.292 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.755 -12.166 -7.354 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.830 -11.598 -6.070 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.549 -12.041 -6.231 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.614 -11.466 -4.940 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.974 -11.691 -5.026 1.00 0.00 C ATOM 1291 OH TYR A 86 4.761 -11.564 -3.904 1.00 0.00 O ATOM 0 H TYR A 86 -0.089 -10.970 -10.364 1.00 0.00 H new ATOM 0 HA TYR A 86 2.625 -10.431 -9.302 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.476 -11.940 -8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.597 -13.120 -8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.207 -12.438 -8.296 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.766 -11.426 -6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.613 -12.216 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.167 -11.189 -3.997 1.00 0.00 H new ATOM 0 HH TYR A 86 4.202 -11.312 -3.139 1.00 0.00 H new ATOM 1301 N THR A 87 3.763 -11.992 -10.885 1.00 0.00 N ATOM 1302 CA THR A 87 4.431 -12.716 -11.956 1.00 0.00 C ATOM 1303 C THR A 87 5.763 -13.285 -11.481 1.00 0.00 C ATOM 1304 O THR A 87 6.802 -12.634 -11.591 1.00 0.00 O ATOM 1305 CB THR A 87 4.650 -11.806 -13.165 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.415 -11.315 -13.653 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.356 -12.495 -14.314 1.00 0.00 C ATOM 0 H THR A 87 4.392 -11.563 -10.207 1.00 0.00 H new ATOM 0 HA THR A 87 3.788 -13.545 -12.252 1.00 0.00 H new ATOM 0 HB THR A 87 5.283 -10.995 -12.805 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.576 -10.734 -14.425 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.479 -11.793 -15.139 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.335 -12.842 -13.984 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.763 -13.346 -14.648 1.00 0.00 H new ATOM 1413 N PHE A 95 6.304 -8.494 -7.475 1.00 0.00 N ATOM 1414 CA PHE A 95 4.957 -7.997 -7.226 1.00 0.00 C ATOM 1415 C PHE A 95 4.818 -6.540 -7.646 1.00 0.00 C ATOM 1416 O PHE A 95 5.660 -5.706 -7.315 1.00 0.00 O ATOM 1417 CB PHE A 95 4.609 -8.146 -5.744 1.00 0.00 C ATOM 1418 CG PHE A 95 3.137 -8.064 -5.462 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.224 -8.676 -6.305 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.667 -7.372 -4.357 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.870 -8.599 -6.051 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.313 -7.294 -4.098 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.414 -7.908 -4.948 1.00 0.00 C ATOM 0 HA PHE A 95 4.264 -8.590 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.987 -9.103 -5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.123 -7.369 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.576 -9.219 -7.170 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.367 -6.889 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.168 -9.080 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.958 -6.754 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.646 -7.847 -4.749 1.00 0.00 H new ATOM 1433 N THR A 96 3.746 -6.239 -8.373 1.00 0.00 N ATOM 1434 CA THR A 96 3.505 -4.873 -8.827 1.00 0.00 C ATOM 1435 C THR A 96 2.033 -4.495 -8.697 1.00 0.00 C ATOM 1436 O THR A 96 1.149 -5.217 -9.156 1.00 0.00 O ATOM 1437 CB THR A 96 3.960 -4.696 -10.275 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.851 -5.728 -10.655 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.653 -3.373 -10.520 1.00 0.00 C ATOM 0 H THR A 96 3.037 -6.915 -8.658 1.00 0.00 H new ATOM 0 HA THR A 96 4.087 -4.209 -8.188 1.00 0.00 H new ATOM 0 HB THR A 96 3.049 -4.730 -10.872 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.128 -5.595 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.952 -3.307 -11.566 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.971 -2.556 -10.286 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.536 -3.302 -9.885 1.00 0.00 H new ATOM 1447 N VAL A 97 1.787 -3.353 -8.068 1.00 0.00 N ATOM 1448 CA VAL A 97 0.429 -2.856 -7.868 1.00 0.00 C ATOM 1449 C VAL A 97 0.310 -1.418 -8.361 1.00 0.00 C ATOM 1450 O VAL A 97 1.318 -0.753 -8.603 1.00 0.00 O ATOM 1451 CB VAL A 97 0.015 -2.912 -6.382 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.494 -2.835 -6.234 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.547 -4.169 -5.712 1.00 0.00 C ATOM 0 H VAL A 97 2.514 -2.749 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.237 -3.502 -8.441 1.00 0.00 H new ATOM 0 HB VAL A 97 0.455 -2.047 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.759 -2.877 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.854 -1.899 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.954 -3.674 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.240 -4.182 -4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.148 -5.048 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.635 -4.180 -5.771 1.00 0.00 H new ATOM 1463 N ASN A 98 -0.920 -0.940 -8.512 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.150 0.422 -8.980 1.00 0.00 C ATOM 1465 C ASN A 98 -2.436 0.998 -8.395 1.00 0.00 C ATOM 1466 O ASN A 98 -3.324 0.260 -7.974 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.207 0.453 -10.508 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.013 -0.240 -11.137 1.00 0.00 C ATOM 1469 OD1 ASN A 98 1.129 0.177 -10.949 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.273 -1.302 -11.890 1.00 0.00 N ATOM 0 H ASN A 98 -1.769 -1.472 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.318 1.039 -8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.125 -0.028 -10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.246 1.488 -10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.490 -1.807 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.236 -1.613 -12.018 1.00 0.00 H new