USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 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 61 THR OG1 : rot 156:sc= 1.12 USER MOD Set 1.2: A 68 GLN : amide:sc= -3.73 K(o=-2.6,f=-6.5!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -149:sc= -0.94 (180deg=-2.8!) USER MOD Set 2.2: A 86 TYR OH : rot 165:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.336 USER MOD Single : A 17 ASN : amide:sc= 0.514 K(o=0.51,f=-0.54) 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 106:sc= 0.0662 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.7! C(o=-15!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -117:sc= 0.617 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.566 USER MOD Single : A 46 GLN : amide:sc=-0.00885 X(o=-0.0089,f=0) USER MOD Single : A 47 TYR OH : rot -36:sc= 0.36 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -158:sc= -1.86! (180deg=-1.97!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 106:sc= 0.452 USER MOD Single : A 77 GLN :FLIP amide:sc= -1.8 F(o=-9.1!,f=-1.8) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 4:sc= 0.161 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.457 -5.099 -2.390 1.00 0.00 N ATOM 91 CA VAL A 7 -14.385 -3.819 -1.698 1.00 0.00 C ATOM 92 C VAL A 7 -13.483 -2.778 -2.392 1.00 0.00 C ATOM 93 O VAL A 7 -14.007 -1.852 -3.012 1.00 0.00 O ATOM 94 CB VAL A 7 -13.978 -3.998 -0.218 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.084 -3.480 0.689 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.683 -5.459 0.093 1.00 0.00 C ATOM 0 HA VAL A 7 -15.396 -3.414 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.069 -3.424 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.791 -3.609 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.254 -2.422 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.001 -4.037 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.399 -5.558 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.572 -6.059 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.866 -5.808 -0.539 1.00 0.00 H new ATOM 106 N PRO A 8 -12.130 -2.839 -2.271 1.00 0.00 N ATOM 107 CA PRO A 8 -11.247 -1.834 -2.854 1.00 0.00 C ATOM 108 C PRO A 8 -10.422 -2.318 -4.066 1.00 0.00 C ATOM 109 O PRO A 8 -10.971 -2.609 -5.129 1.00 0.00 O ATOM 110 CB PRO A 8 -10.353 -1.597 -1.649 1.00 0.00 C ATOM 111 CG PRO A 8 -10.079 -2.990 -1.170 1.00 0.00 C ATOM 112 CD PRO A 8 -11.316 -3.808 -1.515 1.00 0.00 C ATOM 0 HA PRO A 8 -11.773 -0.974 -3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.436 -1.073 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.850 -0.996 -0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.193 -3.401 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.891 -3.003 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.070 -4.686 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.831 -4.163 -0.622 1.00 0.00 H new ATOM 120 N LEU A 9 -9.093 -2.367 -3.890 1.00 0.00 N ATOM 121 CA LEU A 9 -8.154 -2.768 -4.934 1.00 0.00 C ATOM 122 C LEU A 9 -8.421 -4.179 -5.454 1.00 0.00 C ATOM 123 O LEU A 9 -8.455 -5.143 -4.689 1.00 0.00 O ATOM 124 CB LEU A 9 -6.728 -2.700 -4.354 1.00 0.00 C ATOM 125 CG LEU A 9 -5.542 -2.914 -5.322 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.985 -3.460 -6.662 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.769 -1.622 -5.527 1.00 0.00 C ATOM 0 H LEU A 9 -8.641 -2.126 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.275 -2.088 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.604 -1.724 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.653 -3.446 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.892 -3.655 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.116 -3.593 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.480 -4.420 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.679 -2.761 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.940 -1.799 -6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.431 -0.865 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.381 -1.274 -4.570 1.00 0.00 H new ATOM 139 N THR A 10 -8.562 -4.289 -6.775 1.00 0.00 N ATOM 140 CA THR A 10 -8.767 -5.573 -7.424 1.00 0.00 C ATOM 141 C THR A 10 -7.441 -6.077 -7.989 1.00 0.00 C ATOM 142 O THR A 10 -6.801 -5.401 -8.795 1.00 0.00 O ATOM 143 CB THR A 10 -9.791 -5.456 -8.551 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.064 -5.089 -8.048 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.950 -6.742 -9.333 1.00 0.00 C ATOM 0 H THR A 10 -8.537 -3.496 -7.416 1.00 0.00 H new ATOM 0 HA THR A 10 -9.146 -6.278 -6.684 1.00 0.00 H new ATOM 0 HB THR A 10 -9.406 -4.684 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.701 -5.019 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.690 -6.600 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.994 -7.017 -9.779 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.281 -7.536 -8.664 1.00 0.00 H new ATOM 153 N PHE A 11 -7.031 -7.259 -7.556 1.00 0.00 N ATOM 154 CA PHE A 11 -5.776 -7.847 -8.009 1.00 0.00 C ATOM 155 C PHE A 11 -5.984 -8.667 -9.285 1.00 0.00 C ATOM 156 O PHE A 11 -7.097 -8.754 -9.802 1.00 0.00 O ATOM 157 CB PHE A 11 -5.189 -8.715 -6.898 1.00 0.00 C ATOM 158 CG PHE A 11 -5.876 -10.023 -6.749 1.00 0.00 C ATOM 159 CD1 PHE A 11 -7.077 -10.127 -6.074 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.317 -11.150 -7.302 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.710 -11.346 -5.957 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.935 -12.368 -7.190 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.135 -12.470 -6.518 1.00 0.00 C ATOM 0 H PHE A 11 -7.549 -7.832 -6.890 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.076 -7.045 -8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.132 -8.889 -7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.246 -8.173 -5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.523 -9.247 -5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.379 -11.075 -7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.650 -11.422 -5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.483 -13.246 -7.627 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.625 -13.428 -6.430 1.00 0.00 H new ATOM 173 N THR A 12 -4.904 -9.257 -9.790 1.00 0.00 N ATOM 174 CA THR A 12 -4.973 -10.061 -11.014 1.00 0.00 C ATOM 175 C THR A 12 -5.359 -11.509 -10.704 1.00 0.00 C ATOM 176 O THR A 12 -5.898 -11.799 -9.647 1.00 0.00 O ATOM 177 CB THR A 12 -3.629 -10.024 -11.749 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.788 -10.422 -13.103 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.574 -10.915 -11.124 1.00 0.00 C ATOM 0 H THR A 12 -3.974 -9.196 -9.376 1.00 0.00 H new ATOM 0 HA THR A 12 -5.744 -9.632 -11.654 1.00 0.00 H new ATOM 0 HB THR A 12 -3.290 -8.991 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.920 -10.391 -13.557 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.649 -10.839 -11.695 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.393 -10.599 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.921 -11.948 -11.130 1.00 0.00 H new ATOM 187 N ASP A 13 -5.084 -12.413 -11.634 1.00 0.00 N ATOM 188 CA ASP A 13 -5.395 -13.823 -11.443 1.00 0.00 C ATOM 189 C ASP A 13 -4.213 -14.561 -10.831 1.00 0.00 C ATOM 190 O ASP A 13 -4.374 -15.398 -9.946 1.00 0.00 O ATOM 191 CB ASP A 13 -5.769 -14.465 -12.776 1.00 0.00 C ATOM 192 CG ASP A 13 -6.986 -13.819 -13.409 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.829 -13.280 -12.662 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.096 -13.852 -14.653 1.00 0.00 O ATOM 0 H ASP A 13 -4.646 -12.195 -12.529 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.241 -13.894 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.924 -14.391 -13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.963 -15.527 -12.623 1.00 0.00 H new ATOM 199 N ALA A 14 -3.027 -14.251 -11.327 1.00 0.00 N ATOM 200 CA ALA A 14 -1.805 -14.887 -10.859 1.00 0.00 C ATOM 201 C ALA A 14 -1.578 -14.637 -9.377 1.00 0.00 C ATOM 202 O ALA A 14 -1.191 -15.547 -8.643 1.00 0.00 O ATOM 203 CB ALA A 14 -0.614 -14.404 -11.670 1.00 0.00 C ATOM 0 H ALA A 14 -2.883 -13.557 -12.060 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.914 -15.962 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.293 -14.888 -11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.764 -14.653 -12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.515 -13.324 -11.564 1.00 0.00 H new ATOM 209 N ALA A 15 -1.832 -13.412 -8.923 1.00 0.00 N ATOM 210 CA ALA A 15 -1.661 -13.095 -7.513 1.00 0.00 C ATOM 211 C ALA A 15 -2.422 -14.120 -6.688 1.00 0.00 C ATOM 212 O ALA A 15 -1.982 -14.532 -5.613 1.00 0.00 O ATOM 213 CB ALA A 15 -2.121 -11.677 -7.214 1.00 0.00 C ATOM 0 H ALA A 15 -2.152 -12.636 -9.502 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.604 -13.141 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.983 -11.466 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.535 -10.972 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.176 -11.575 -7.470 1.00 0.00 H new ATOM 219 N ALA A 16 -3.544 -14.573 -7.241 1.00 0.00 N ATOM 220 CA ALA A 16 -4.346 -15.601 -6.602 1.00 0.00 C ATOM 221 C ALA A 16 -3.609 -16.922 -6.684 1.00 0.00 C ATOM 222 O ALA A 16 -3.552 -17.689 -5.724 1.00 0.00 O ATOM 223 CB ALA A 16 -5.682 -15.737 -7.306 1.00 0.00 C ATOM 0 H ALA A 16 -3.915 -14.241 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.517 -15.326 -5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.274 -16.511 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.216 -14.788 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.518 -16.010 -8.348 1.00 0.00 H new ATOM 229 N ASN A 17 -3.053 -17.169 -7.863 1.00 0.00 N ATOM 230 CA ASN A 17 -2.315 -18.383 -8.133 1.00 0.00 C ATOM 231 C ASN A 17 -1.163 -18.572 -7.153 1.00 0.00 C ATOM 232 O ASN A 17 -0.994 -19.647 -6.586 1.00 0.00 O ATOM 233 CB ASN A 17 -1.775 -18.357 -9.564 1.00 0.00 C ATOM 234 CG ASN A 17 -2.833 -18.665 -10.599 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.802 -19.714 -11.246 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.780 -17.756 -10.766 1.00 0.00 N ATOM 0 H ASN A 17 -3.104 -16.529 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.000 -19.222 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.349 -17.375 -9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.965 -19.080 -9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.520 -17.911 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.770 -16.901 -10.210 1.00 0.00 H new ATOM 243 N LYS A 18 -0.368 -17.521 -6.953 1.00 0.00 N ATOM 244 CA LYS A 18 0.761 -17.599 -6.039 1.00 0.00 C ATOM 245 C LYS A 18 0.293 -18.003 -4.645 1.00 0.00 C ATOM 246 O LYS A 18 1.031 -18.629 -3.888 1.00 0.00 O ATOM 247 CB LYS A 18 1.520 -16.265 -6.001 1.00 0.00 C ATOM 248 CG LYS A 18 0.879 -15.190 -5.130 1.00 0.00 C ATOM 249 CD LYS A 18 1.862 -14.664 -4.097 1.00 0.00 C ATOM 250 CE LYS A 18 1.160 -13.892 -2.993 1.00 0.00 C ATOM 251 NZ LYS A 18 2.070 -13.607 -1.850 1.00 0.00 N ATOM 0 H LYS A 18 -0.486 -16.616 -7.409 1.00 0.00 H new ATOM 0 HA LYS A 18 1.447 -18.365 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.532 -16.449 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.608 -15.884 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.532 -14.369 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.003 -15.600 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.414 -15.498 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.592 -14.018 -4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.776 -12.954 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.301 -14.463 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.521 -13.580 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.791 -14.353 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.535 -12.688 -1.997 1.00 0.00 H new ATOM 265 N VAL A 19 -0.947 -17.648 -4.324 1.00 0.00 N ATOM 266 CA VAL A 19 -1.530 -17.979 -3.036 1.00 0.00 C ATOM 267 C VAL A 19 -2.003 -19.417 -3.015 1.00 0.00 C ATOM 268 O VAL A 19 -1.422 -20.267 -2.344 1.00 0.00 O ATOM 269 CB VAL A 19 -2.715 -17.046 -2.712 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.337 -17.399 -1.366 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.270 -15.592 -2.742 1.00 0.00 C ATOM 0 H VAL A 19 -1.568 -17.128 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.756 -17.846 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.479 -17.186 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.170 -16.726 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.699 -18.427 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.588 -17.297 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.118 -14.947 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.484 -15.437 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.888 -15.349 -3.734 1.00 0.00 H new ATOM 281 N LYS A 20 -3.063 -19.690 -3.769 1.00 0.00 N ATOM 282 CA LYS A 20 -3.642 -21.023 -3.859 1.00 0.00 C ATOM 283 C LYS A 20 -2.608 -22.081 -4.232 1.00 0.00 C ATOM 284 O LYS A 20 -2.832 -23.275 -4.033 1.00 0.00 O ATOM 285 CB LYS A 20 -4.744 -21.045 -4.917 1.00 0.00 C ATOM 286 CG LYS A 20 -4.384 -20.276 -6.181 1.00 0.00 C ATOM 287 CD LYS A 20 -4.386 -21.188 -7.404 1.00 0.00 C ATOM 288 CE LYS A 20 -3.032 -21.843 -7.613 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.076 -22.873 -8.685 1.00 0.00 N ATOM 0 H LYS A 20 -3.544 -18.991 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.041 -21.257 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.964 -22.080 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.655 -20.624 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.095 -19.463 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.400 -19.822 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.149 -21.957 -7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.652 -20.610 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.296 -21.082 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.703 -22.302 -6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.133 -23.297 -8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.760 -23.613 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.366 -22.430 -9.580 1.00 0.00 H new ATOM 303 N SER A 21 -1.501 -21.644 -4.812 1.00 0.00 N ATOM 304 CA SER A 21 -0.471 -22.573 -5.254 1.00 0.00 C ATOM 305 C SER A 21 0.519 -22.925 -4.152 1.00 0.00 C ATOM 306 O SER A 21 0.865 -24.091 -3.969 1.00 0.00 O ATOM 307 CB SER A 21 0.278 -22.007 -6.459 1.00 0.00 C ATOM 308 OG SER A 21 1.214 -22.939 -6.967 1.00 0.00 O ATOM 0 H SER A 21 -1.293 -20.661 -4.987 1.00 0.00 H new ATOM 0 HA SER A 21 -0.983 -23.493 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.434 -21.741 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.793 -21.090 -6.172 1.00 0.00 H new ATOM 0 HG SER A 21 1.677 -22.550 -7.738 1.00 0.00 H new ATOM 314 N LEU A 22 0.983 -21.917 -3.420 1.00 0.00 N ATOM 315 CA LEU A 22 1.943 -22.168 -2.358 1.00 0.00 C ATOM 316 C LEU A 22 1.231 -22.582 -1.080 1.00 0.00 C ATOM 317 O LEU A 22 1.805 -23.284 -0.245 1.00 0.00 O ATOM 318 CB LEU A 22 2.853 -20.936 -2.145 1.00 0.00 C ATOM 319 CG LEU A 22 2.557 -20.035 -0.938 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.186 -19.408 -1.069 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.687 -20.800 0.377 1.00 0.00 C ATOM 0 H LEU A 22 0.716 -20.940 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 22 2.586 -22.997 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.881 -21.288 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.802 -20.321 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 22 3.300 -19.238 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.992 -18.772 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.146 -18.807 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.431 -20.192 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.471 -20.131 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.981 -21.631 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.702 -21.185 0.475 1.00 0.00 H new ATOM 333 N ILE A 23 -0.029 -22.188 -0.940 1.00 0.00 N ATOM 334 CA ILE A 23 -0.798 -22.551 0.228 1.00 0.00 C ATOM 335 C ILE A 23 -1.178 -24.020 0.147 1.00 0.00 C ATOM 336 O ILE A 23 -0.969 -24.785 1.081 1.00 0.00 O ATOM 337 CB ILE A 23 -2.056 -21.701 0.361 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.908 -21.798 -0.890 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.676 -20.256 0.613 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.021 -22.819 -0.788 1.00 0.00 C ATOM 0 H ILE A 23 -0.532 -21.620 -1.622 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.181 -22.372 1.108 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.637 -22.076 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.341 -20.820 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.269 -22.053 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.579 -19.653 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.096 -20.187 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.078 -19.886 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.588 -22.833 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.594 -23.806 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.683 -22.554 0.036 1.00 0.00 H new ATOM 352 N SER A 24 -1.700 -24.412 -1.005 1.00 0.00 N ATOM 353 CA SER A 24 -2.064 -25.793 -1.235 1.00 0.00 C ATOM 354 C SER A 24 -0.832 -26.665 -1.064 1.00 0.00 C ATOM 355 O SER A 24 -0.928 -27.861 -0.769 1.00 0.00 O ATOM 356 CB SER A 24 -2.636 -25.961 -2.639 1.00 0.00 C ATOM 357 OG SER A 24 -4.027 -25.692 -2.664 1.00 0.00 O ATOM 0 H SER A 24 -1.879 -23.790 -1.793 1.00 0.00 H new ATOM 0 HA SER A 24 -2.826 -26.093 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.121 -25.290 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.454 -26.977 -2.989 1.00 0.00 H new ATOM 0 HG SER A 24 -4.184 -24.822 -3.087 1.00 0.00 H new ATOM 363 N GLU A 25 0.332 -26.046 -1.246 1.00 0.00 N ATOM 364 CA GLU A 25 1.599 -26.732 -1.106 1.00 0.00 C ATOM 365 C GLU A 25 1.992 -26.810 0.357 1.00 0.00 C ATOM 366 O GLU A 25 2.805 -27.652 0.745 1.00 0.00 O ATOM 367 CB GLU A 25 2.687 -26.011 -1.906 1.00 0.00 C ATOM 368 CG GLU A 25 3.293 -26.866 -3.013 1.00 0.00 C ATOM 369 CD GLU A 25 4.409 -26.147 -3.749 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.102 -25.301 -4.615 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.590 -26.431 -3.459 1.00 0.00 O ATOM 0 H GLU A 25 0.416 -25.060 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 25 1.492 -27.744 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.265 -25.107 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.479 -25.696 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.680 -27.791 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.513 -27.145 -3.722 1.00 0.00 H new ATOM 378 N GLU A 26 1.400 -25.947 1.179 1.00 0.00 N ATOM 379 CA GLU A 26 1.684 -25.948 2.599 1.00 0.00 C ATOM 380 C GLU A 26 0.898 -27.041 3.291 1.00 0.00 C ATOM 381 O GLU A 26 1.210 -27.444 4.412 1.00 0.00 O ATOM 382 CB GLU A 26 1.350 -24.587 3.211 1.00 0.00 C ATOM 383 CG GLU A 26 2.126 -23.442 2.592 1.00 0.00 C ATOM 384 CD GLU A 26 3.153 -22.851 3.542 1.00 0.00 C ATOM 385 OE1 GLU A 26 2.924 -22.902 4.770 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.186 -22.343 3.058 1.00 0.00 O ATOM 0 H GLU A 26 0.724 -25.243 0.881 1.00 0.00 H new ATOM 0 HA GLU A 26 2.748 -26.140 2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.283 -24.397 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.554 -24.618 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.630 -23.794 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.430 -22.662 2.283 1.00 0.00 H new ATOM 393 N GLU A 27 -0.142 -27.518 2.609 1.00 0.00 N ATOM 394 CA GLU A 27 -1.009 -28.552 3.139 1.00 0.00 C ATOM 395 C GLU A 27 -2.028 -27.934 4.084 1.00 0.00 C ATOM 396 O GLU A 27 -2.741 -28.649 4.793 1.00 0.00 O ATOM 397 CB GLU A 27 -0.201 -29.629 3.863 1.00 0.00 C ATOM 398 CG GLU A 27 -0.655 -31.048 3.549 1.00 0.00 C ATOM 399 CD GLU A 27 0.357 -31.819 2.719 1.00 0.00 C ATOM 400 OE1 GLU A 27 0.359 -31.650 1.480 1.00 0.00 O ATOM 401 OE2 GLU A 27 1.144 -32.587 3.306 1.00 0.00 O ATOM 0 H GLU A 27 -0.401 -27.195 1.677 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.530 -29.026 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.850 -29.525 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.272 -29.463 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.835 -31.582 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.604 -31.011 3.014 1.00 0.00 H new ATOM 408 N ASN A 28 -2.105 -26.607 4.082 1.00 0.00 N ATOM 409 CA ASN A 28 -3.056 -25.915 4.944 1.00 0.00 C ATOM 410 C ASN A 28 -4.455 -26.412 4.648 1.00 0.00 C ATOM 411 O ASN A 28 -5.052 -27.109 5.467 1.00 0.00 O ATOM 412 CB ASN A 28 -3.034 -24.386 4.745 1.00 0.00 C ATOM 413 CG ASN A 28 -1.707 -23.853 4.265 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.692 -23.416 3.010 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.719 -23.841 4.995 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.529 -25.997 3.502 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.766 -26.127 5.973 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.806 -24.111 4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.289 -23.903 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.787 -24.189 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.170 -23.483 4.645 1.00 0.00 H new ATOM 422 N THR A 29 -4.971 -26.028 3.477 1.00 0.00 N ATOM 423 CA THR A 29 -6.320 -26.420 3.076 1.00 0.00 C ATOM 424 C THR A 29 -6.892 -25.510 1.989 1.00 0.00 C ATOM 425 O THR A 29 -7.476 -25.985 1.012 1.00 0.00 O ATOM 426 CB THR A 29 -7.265 -26.377 4.277 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.618 -26.346 3.871 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.018 -25.166 5.159 1.00 0.00 C ATOM 0 H THR A 29 -4.477 -25.450 2.796 1.00 0.00 H new ATOM 0 HA THR A 29 -6.242 -27.432 2.680 1.00 0.00 H new ATOM 0 HB THR A 29 -7.062 -27.286 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.196 -26.320 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.713 -25.179 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.995 -25.192 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.168 -24.256 4.578 1.00 0.00 H new ATOM 436 N ASP A 30 -6.752 -24.204 2.185 1.00 0.00 N ATOM 437 CA ASP A 30 -7.283 -23.211 1.254 1.00 0.00 C ATOM 438 C ASP A 30 -7.105 -21.831 1.862 1.00 0.00 C ATOM 439 O ASP A 30 -8.064 -21.176 2.256 1.00 0.00 O ATOM 440 CB ASP A 30 -8.764 -23.479 0.961 1.00 0.00 C ATOM 441 CG ASP A 30 -8.976 -24.143 -0.381 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.650 -23.521 -1.413 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.468 -25.295 -0.402 1.00 0.00 O ATOM 0 H ASP A 30 -6.270 -23.803 2.989 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.742 -23.272 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.178 -24.112 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.313 -22.538 0.988 1.00 0.00 H new ATOM 448 N LEU A 31 -5.853 -21.448 1.964 1.00 0.00 N ATOM 449 CA LEU A 31 -5.466 -20.194 2.558 1.00 0.00 C ATOM 450 C LEU A 31 -6.070 -18.989 1.862 1.00 0.00 C ATOM 451 O LEU A 31 -6.424 -19.031 0.685 1.00 0.00 O ATOM 452 CB LEU A 31 -3.953 -20.097 2.528 1.00 0.00 C ATOM 453 CG LEU A 31 -3.285 -20.057 3.892 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.891 -18.958 4.733 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.424 -21.400 4.587 1.00 0.00 C ATOM 0 H LEU A 31 -5.067 -22.007 1.632 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.846 -20.180 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.560 -20.949 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.672 -19.200 1.976 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.223 -19.848 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.406 -18.937 5.709 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.748 -17.999 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.957 -19.144 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.941 -21.356 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.480 -21.636 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.951 -22.173 3.982 1.00 0.00 H new ATOM 467 N LYS A 32 -6.158 -17.908 2.623 1.00 0.00 N ATOM 468 CA LYS A 32 -6.688 -16.648 2.140 1.00 0.00 C ATOM 469 C LYS A 32 -5.597 -15.587 2.206 1.00 0.00 C ATOM 470 O LYS A 32 -5.031 -15.339 3.272 1.00 0.00 O ATOM 471 CB LYS A 32 -7.884 -16.223 2.994 1.00 0.00 C ATOM 472 CG LYS A 32 -9.030 -17.219 2.984 1.00 0.00 C ATOM 473 CD LYS A 32 -9.734 -17.268 4.332 1.00 0.00 C ATOM 474 CE LYS A 32 -10.176 -15.884 4.782 1.00 0.00 C ATOM 475 NZ LYS A 32 -10.175 -15.758 6.265 1.00 0.00 N ATOM 0 H LYS A 32 -5.861 -17.884 3.599 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.019 -16.764 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.551 -16.077 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.249 -15.260 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.745 -16.946 2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.651 -18.210 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.602 -17.925 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.065 -17.697 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.512 -15.133 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.177 -15.680 4.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.144 -15.580 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.819 -16.639 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.561 -14.967 6.546 1.00 0.00 H new ATOM 489 N LEU A 33 -5.290 -14.970 1.074 1.00 0.00 N ATOM 490 CA LEU A 33 -4.256 -13.953 1.029 1.00 0.00 C ATOM 491 C LEU A 33 -4.593 -12.804 1.972 1.00 0.00 C ATOM 492 O LEU A 33 -5.757 -12.446 2.135 1.00 0.00 O ATOM 493 CB LEU A 33 -4.100 -13.443 -0.406 1.00 0.00 C ATOM 494 CG LEU A 33 -2.809 -12.677 -0.702 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.867 -11.277 -0.112 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.596 -13.435 -0.180 1.00 0.00 C ATOM 0 H LEU A 33 -5.742 -15.157 0.179 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.313 -14.391 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.158 -14.295 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.946 -12.795 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.709 -12.586 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.939 -10.750 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.706 -10.734 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.997 -11.343 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.691 -12.870 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.686 -13.567 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.542 -14.411 -0.662 1.00 0.00 H new ATOM 508 N ARG A 34 -3.565 -12.226 2.585 1.00 0.00 N ATOM 509 CA ARG A 34 -3.752 -11.114 3.504 1.00 0.00 C ATOM 510 C ARG A 34 -2.674 -10.064 3.280 1.00 0.00 C ATOM 511 O ARG A 34 -1.555 -10.179 3.777 1.00 0.00 O ATOM 512 CB ARG A 34 -3.738 -11.597 4.953 1.00 0.00 C ATOM 513 CG ARG A 34 -3.891 -10.479 5.972 1.00 0.00 C ATOM 514 CD ARG A 34 -3.348 -10.886 7.332 1.00 0.00 C ATOM 515 NE ARG A 34 -3.595 -9.862 8.341 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.951 -8.698 8.393 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.022 -8.406 7.494 1.00 0.00 N ATOM 518 NH2 ARG A 34 -3.236 -7.825 9.349 1.00 0.00 N ATOM 0 H ARG A 34 -2.594 -12.511 2.460 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.726 -10.665 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.543 -12.318 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.802 -12.123 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.366 -9.591 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.944 -10.211 6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.811 -11.822 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.276 -11.070 7.256 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.304 -10.049 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.797 -9.075 6.757 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.532 -7.513 7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.949 -8.045 10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.743 -6.933 9.389 1.00 0.00 H new ATOM 532 N VAL A 35 -3.018 -9.053 2.502 1.00 0.00 N ATOM 533 CA VAL A 35 -2.088 -7.987 2.168 1.00 0.00 C ATOM 534 C VAL A 35 -1.842 -7.027 3.321 1.00 0.00 C ATOM 535 O VAL A 35 -2.682 -6.844 4.201 1.00 0.00 O ATOM 536 CB VAL A 35 -2.599 -7.164 0.980 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.508 -6.251 0.448 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.122 -8.073 -0.108 1.00 0.00 C ATOM 0 H VAL A 35 -3.943 -8.947 2.086 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.152 -8.489 1.922 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.422 -6.537 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.893 -5.677 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.188 -5.569 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.659 -6.851 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.481 -7.472 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.321 -8.729 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.942 -8.675 0.284 1.00 0.00 H new ATOM 548 N TYR A 36 -0.679 -6.397 3.269 1.00 0.00 N ATOM 549 CA TYR A 36 -0.273 -5.410 4.259 1.00 0.00 C ATOM 550 C TYR A 36 0.495 -4.295 3.562 1.00 0.00 C ATOM 551 O TYR A 36 0.677 -4.329 2.345 1.00 0.00 O ATOM 552 CB TYR A 36 0.589 -6.043 5.358 1.00 0.00 C ATOM 553 CG TYR A 36 1.308 -7.300 4.926 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.607 -8.473 4.684 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.687 -7.311 4.759 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.259 -9.624 4.287 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.348 -8.458 4.362 1.00 0.00 C ATOM 558 CZ TYR A 36 2.629 -9.612 4.126 1.00 0.00 C ATOM 559 OH TYR A 36 3.282 -10.757 3.731 1.00 0.00 O ATOM 0 H TYR A 36 0.013 -6.556 2.537 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.165 -5.004 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.325 -5.313 5.694 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.044 -6.275 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.466 -8.486 4.808 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.252 -6.409 4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.699 -10.529 4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.421 -8.451 4.237 1.00 0.00 H new ATOM 0 HH TYR A 36 4.243 -10.579 3.664 1.00 0.00 H new ATOM 569 N ILE A 37 0.944 -3.308 4.323 1.00 0.00 N ATOM 570 CA ILE A 37 1.684 -2.196 3.744 1.00 0.00 C ATOM 571 C ILE A 37 3.181 -2.494 3.716 1.00 0.00 C ATOM 572 O ILE A 37 3.832 -2.560 4.758 1.00 0.00 O ATOM 573 CB ILE A 37 1.413 -0.885 4.511 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.003 -0.387 4.199 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.438 0.177 4.147 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.224 -0.118 2.729 1.00 0.00 C ATOM 0 H ILE A 37 0.811 -3.254 5.333 1.00 0.00 H new ATOM 0 HA ILE A 37 1.337 -2.068 2.719 1.00 0.00 H new ATOM 0 HB ILE A 37 1.496 -1.084 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.720 -1.127 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.185 0.527 4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.226 1.092 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.436 -0.178 4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.387 0.380 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.245 0.233 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.476 0.644 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.068 -1.036 2.163 1.00 0.00 H new ATOM 672 N GLN A 46 3.035 -1.766 -3.940 1.00 0.00 N ATOM 673 CA GLN A 46 3.532 -3.117 -3.696 1.00 0.00 C ATOM 674 C GLN A 46 2.629 -3.861 -2.723 1.00 0.00 C ATOM 675 O GLN A 46 1.804 -4.673 -3.131 1.00 0.00 O ATOM 676 CB GLN A 46 4.965 -3.089 -3.169 1.00 0.00 C ATOM 677 CG GLN A 46 6.013 -3.076 -4.268 1.00 0.00 C ATOM 678 CD GLN A 46 7.410 -2.836 -3.735 1.00 0.00 C ATOM 679 OE1 GLN A 46 8.289 -3.690 -3.848 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.616 -1.666 -3.148 1.00 0.00 N ATOM 0 HA GLN A 46 3.527 -3.647 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.096 -2.207 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.127 -3.959 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.989 -4.027 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.766 -2.300 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.856 -0.990 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.535 -1.442 -2.766 1.00 0.00 H new ATOM 689 N TYR A 47 2.787 -3.580 -1.437 1.00 0.00 N ATOM 690 CA TYR A 47 1.981 -4.229 -0.409 1.00 0.00 C ATOM 691 C TYR A 47 2.399 -5.684 -0.239 1.00 0.00 C ATOM 692 O TYR A 47 2.363 -6.469 -1.185 1.00 0.00 O ATOM 693 CB TYR A 47 0.494 -4.151 -0.758 1.00 0.00 C ATOM 694 CG TYR A 47 0.077 -2.831 -1.360 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.109 -1.662 -0.610 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.351 -2.753 -2.678 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.275 -0.453 -1.157 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.737 -1.548 -3.232 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.697 -0.402 -2.468 1.00 0.00 C ATOM 700 OH TYR A 47 -1.083 0.800 -3.016 1.00 0.00 O ATOM 0 H TYR A 47 3.465 -2.907 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 47 2.147 -3.703 0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.252 -4.951 -1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.091 -4.329 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.440 -1.699 0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.383 -3.649 -3.280 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.245 0.447 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.069 -1.504 -4.259 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.542 1.337 -2.337 1.00 0.00 H new ATOM 710 N GLY A 48 2.798 -6.032 0.977 1.00 0.00 N ATOM 711 CA GLY A 48 3.224 -7.391 1.258 1.00 0.00 C ATOM 712 C GLY A 48 2.060 -8.356 1.373 1.00 0.00 C ATOM 713 O GLY A 48 1.078 -8.077 2.056 1.00 0.00 O ATOM 0 H GLY A 48 2.835 -5.398 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.894 -7.728 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.795 -7.404 2.186 1.00 0.00 H new ATOM 717 N PHE A 49 2.167 -9.487 0.685 1.00 0.00 N ATOM 718 CA PHE A 49 1.116 -10.497 0.693 1.00 0.00 C ATOM 719 C PHE A 49 1.479 -11.704 1.550 1.00 0.00 C ATOM 720 O PHE A 49 2.581 -12.246 1.453 1.00 0.00 O ATOM 721 CB PHE A 49 0.840 -10.968 -0.731 1.00 0.00 C ATOM 722 CG PHE A 49 -0.108 -10.083 -1.475 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.031 -8.709 -1.347 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.082 -10.628 -2.290 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.909 -7.890 -2.020 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.968 -9.818 -2.966 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.884 -8.443 -2.831 1.00 0.00 C ATOM 0 H PHE A 49 2.976 -9.728 0.112 1.00 0.00 H new ATOM 0 HA PHE A 49 0.229 -10.032 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.782 -11.020 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.433 -11.979 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.726 -8.273 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.149 -11.700 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.837 -6.818 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.726 -10.255 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.577 -7.804 -3.357 1.00 0.00 H new ATOM 737 N THR A 50 0.521 -12.141 2.357 1.00 0.00 N ATOM 738 CA THR A 50 0.701 -13.315 3.208 1.00 0.00 C ATOM 739 C THR A 50 -0.503 -14.239 3.064 1.00 0.00 C ATOM 740 O THR A 50 -1.535 -13.841 2.526 1.00 0.00 O ATOM 741 CB THR A 50 0.886 -12.914 4.672 1.00 0.00 C ATOM 742 OG1 THR A 50 1.405 -13.995 5.423 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.398 -12.472 5.334 1.00 0.00 C ATOM 0 H THR A 50 -0.394 -11.699 2.442 1.00 0.00 H new ATOM 0 HA THR A 50 1.602 -13.838 2.889 1.00 0.00 H new ATOM 0 HB THR A 50 1.579 -12.073 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.519 -13.720 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.198 -12.201 6.371 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.802 -11.609 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.122 -13.287 5.305 1.00 0.00 H new ATOM 751 N PHE A 51 -0.376 -15.468 3.539 1.00 0.00 N ATOM 752 CA PHE A 51 -1.460 -16.427 3.445 1.00 0.00 C ATOM 753 C PHE A 51 -2.064 -16.660 4.820 1.00 0.00 C ATOM 754 O PHE A 51 -1.537 -17.409 5.631 1.00 0.00 O ATOM 755 CB PHE A 51 -0.935 -17.707 2.795 1.00 0.00 C ATOM 756 CG PHE A 51 -0.001 -17.385 1.662 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.498 -16.939 0.448 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.370 -17.469 1.831 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.357 -16.582 -0.577 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.231 -17.124 0.806 1.00 0.00 C ATOM 761 CZ PHE A 51 1.724 -16.676 -0.399 1.00 0.00 C ATOM 0 H PHE A 51 0.466 -15.822 3.992 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.263 -16.045 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.417 -18.312 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.770 -18.302 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.566 -16.870 0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.772 -17.808 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.043 -16.230 -1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.299 -17.204 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.394 -16.400 -1.199 1.00 0.00 H new ATOM 771 N ASP A 52 -3.164 -15.958 5.067 1.00 0.00 N ATOM 772 CA ASP A 52 -3.865 -16.010 6.345 1.00 0.00 C ATOM 773 C ASP A 52 -5.282 -16.563 6.198 1.00 0.00 C ATOM 774 O ASP A 52 -6.170 -15.891 5.676 1.00 0.00 O ATOM 775 CB ASP A 52 -3.895 -14.602 6.950 1.00 0.00 C ATOM 776 CG ASP A 52 -4.838 -14.476 8.126 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.063 -14.586 7.925 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.349 -14.266 9.257 1.00 0.00 O ATOM 0 H ASP A 52 -3.596 -15.335 4.385 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.330 -16.690 7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.889 -14.330 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.189 -13.889 6.180 1.00 0.00 H new ATOM 783 N GLU A 53 -5.478 -17.797 6.649 1.00 0.00 N ATOM 784 CA GLU A 53 -6.772 -18.469 6.566 1.00 0.00 C ATOM 785 C GLU A 53 -7.733 -18.039 7.673 1.00 0.00 C ATOM 786 O GLU A 53 -8.942 -18.182 7.539 1.00 0.00 O ATOM 787 CB GLU A 53 -6.581 -19.983 6.627 1.00 0.00 C ATOM 788 CG GLU A 53 -7.201 -20.728 5.466 1.00 0.00 C ATOM 789 CD GLU A 53 -8.381 -21.586 5.879 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.184 -22.517 6.681 1.00 0.00 O ATOM 791 OE2 GLU A 53 -9.498 -21.323 5.396 1.00 0.00 O ATOM 0 H GLU A 53 -4.746 -18.360 7.082 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.215 -18.179 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.514 -20.203 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.011 -20.356 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.526 -20.011 4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.444 -21.359 5.000 1.00 0.00 H new ATOM 881 N LEU A 60 -10.797 -5.862 5.566 1.00 0.00 N ATOM 882 CA LEU A 60 -11.628 -6.016 4.376 1.00 0.00 C ATOM 883 C LEU A 60 -11.119 -7.184 3.550 1.00 0.00 C ATOM 884 O LEU A 60 -9.929 -7.496 3.588 1.00 0.00 O ATOM 885 CB LEU A 60 -11.644 -4.730 3.545 1.00 0.00 C ATOM 886 CG LEU A 60 -11.899 -3.432 4.326 1.00 0.00 C ATOM 887 CD1 LEU A 60 -12.707 -2.461 3.482 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.610 -3.711 5.642 1.00 0.00 C ATOM 0 HA LEU A 60 -12.653 -6.218 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.687 -4.640 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.411 -4.826 2.777 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.934 -2.981 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.881 -1.545 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.157 -2.226 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.664 -2.914 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.776 -2.773 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.569 -4.190 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.995 -4.370 6.255 1.00 0.00 H new ATOM 900 N THR A 61 -12.009 -7.859 2.830 1.00 0.00 N ATOM 901 CA THR A 61 -11.591 -9.015 2.049 1.00 0.00 C ATOM 902 C THR A 61 -12.245 -9.089 0.672 1.00 0.00 C ATOM 903 O THR A 61 -13.461 -8.971 0.529 1.00 0.00 O ATOM 904 CB THR A 61 -11.879 -10.304 2.827 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.158 -10.819 2.494 1.00 0.00 O ATOM 906 CG2 THR A 61 -11.838 -10.125 4.329 1.00 0.00 C ATOM 0 H THR A 61 -13.002 -7.632 2.771 1.00 0.00 H new ATOM 0 HA THR A 61 -10.520 -8.902 1.881 1.00 0.00 H new ATOM 0 HB THR A 61 -11.085 -10.993 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.177 -11.784 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.051 -11.077 4.815 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.848 -9.779 4.627 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.585 -9.390 4.628 1.00 0.00 H new ATOM 914 N ILE A 62 -11.404 -9.335 -0.328 1.00 0.00 N ATOM 915 CA ILE A 62 -11.837 -9.494 -1.707 1.00 0.00 C ATOM 916 C ILE A 62 -11.547 -10.929 -2.144 1.00 0.00 C ATOM 917 O ILE A 62 -10.425 -11.402 -1.995 1.00 0.00 O ATOM 918 CB ILE A 62 -11.107 -8.517 -2.661 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.799 -8.011 -2.040 1.00 0.00 C ATOM 920 CG2 ILE A 62 -12.016 -7.355 -3.028 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.995 -6.988 -0.938 1.00 0.00 C ATOM 0 H ILE A 62 -10.396 -9.430 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.903 -9.273 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.854 -9.059 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.247 -8.861 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.183 -7.572 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.488 -6.678 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.909 -7.734 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.304 -6.819 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.024 -6.680 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.519 -6.119 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.584 -7.428 -0.133 1.00 0.00 H new ATOM 933 N GLU A 63 -12.543 -11.635 -2.661 1.00 0.00 N ATOM 934 CA GLU A 63 -12.333 -13.020 -3.077 1.00 0.00 C ATOM 935 C GLU A 63 -11.253 -13.107 -4.149 1.00 0.00 C ATOM 936 O GLU A 63 -11.031 -12.156 -4.898 1.00 0.00 O ATOM 937 CB GLU A 63 -13.634 -13.624 -3.593 1.00 0.00 C ATOM 938 CG GLU A 63 -13.625 -15.144 -3.635 1.00 0.00 C ATOM 939 CD GLU A 63 -14.732 -15.758 -2.801 1.00 0.00 C ATOM 940 OE1 GLU A 63 -14.866 -15.375 -1.621 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.461 -16.622 -3.330 1.00 0.00 O ATOM 0 H GLU A 63 -13.490 -11.282 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.002 -13.588 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.456 -13.291 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.830 -13.242 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.727 -15.476 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.662 -15.508 -3.277 1.00 0.00 H new ATOM 948 N LYS A 64 -10.576 -14.252 -4.214 1.00 0.00 N ATOM 949 CA LYS A 64 -9.514 -14.448 -5.191 1.00 0.00 C ATOM 950 C LYS A 64 -9.882 -15.530 -6.197 1.00 0.00 C ATOM 951 O LYS A 64 -10.877 -16.236 -6.039 1.00 0.00 O ATOM 952 CB LYS A 64 -8.196 -14.802 -4.492 1.00 0.00 C ATOM 953 CG LYS A 64 -7.719 -13.720 -3.536 1.00 0.00 C ATOM 954 CD LYS A 64 -6.273 -13.923 -3.090 1.00 0.00 C ATOM 955 CE LYS A 64 -5.286 -13.468 -4.152 1.00 0.00 C ATOM 956 NZ LYS A 64 -5.066 -11.996 -4.113 1.00 0.00 N ATOM 0 H LYS A 64 -10.745 -15.052 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.385 -13.511 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.322 -15.735 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.428 -14.978 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.813 -12.747 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.366 -13.704 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.096 -13.369 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.106 -14.977 -2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.335 -13.981 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.655 -13.754 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.709 -11.674 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.964 -11.516 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.371 -11.768 -3.374 1.00 0.00 H new ATOM 970 N SER A 65 -9.066 -15.642 -7.236 1.00 0.00 N ATOM 971 CA SER A 65 -9.282 -16.623 -8.295 1.00 0.00 C ATOM 972 C SER A 65 -9.505 -18.017 -7.733 1.00 0.00 C ATOM 973 O SER A 65 -10.355 -18.763 -8.222 1.00 0.00 O ATOM 974 CB SER A 65 -8.082 -16.636 -9.240 1.00 0.00 C ATOM 975 OG SER A 65 -8.497 -16.588 -10.594 1.00 0.00 O ATOM 0 H SER A 65 -8.239 -15.060 -7.370 1.00 0.00 H new ATOM 0 HA SER A 65 -10.181 -16.333 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.436 -15.785 -9.024 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.491 -17.536 -9.069 1.00 0.00 H new ATOM 0 HG SER A 65 -7.710 -16.596 -11.178 1.00 0.00 H new ATOM 981 N GLY A 66 -8.729 -18.383 -6.722 1.00 0.00 N ATOM 982 CA GLY A 66 -8.851 -19.693 -6.128 1.00 0.00 C ATOM 983 C GLY A 66 -8.898 -19.674 -4.614 1.00 0.00 C ATOM 984 O GLY A 66 -8.830 -20.713 -3.967 1.00 0.00 O ATOM 0 H GLY A 66 -8.014 -17.789 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.756 -20.170 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.010 -20.307 -6.449 1.00 0.00 H new ATOM 988 N VAL A 67 -9.010 -18.478 -4.042 1.00 0.00 N ATOM 989 CA VAL A 67 -9.062 -18.328 -2.593 1.00 0.00 C ATOM 990 C VAL A 67 -9.785 -17.031 -2.216 1.00 0.00 C ATOM 991 O VAL A 67 -10.631 -16.548 -2.969 1.00 0.00 O ATOM 992 CB VAL A 67 -7.643 -18.338 -1.985 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.884 -19.574 -2.422 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.880 -17.083 -2.373 1.00 0.00 C ATOM 0 H VAL A 67 -9.066 -17.601 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.616 -19.174 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.740 -18.357 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.886 -19.562 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.417 -20.465 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.802 -19.585 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.883 -17.113 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.796 -17.029 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.412 -16.205 -2.006 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.444 -16.463 -1.061 1.00 0.00 N ATOM 1005 CA GLN A 68 -10.059 -15.221 -0.615 1.00 0.00 C ATOM 1006 C GLN A 68 -8.988 -14.245 -0.127 1.00 0.00 C ATOM 1007 O GLN A 68 -8.117 -14.609 0.660 1.00 0.00 O ATOM 1008 CB GLN A 68 -11.112 -15.518 0.466 1.00 0.00 C ATOM 1009 CG GLN A 68 -10.919 -14.789 1.786 1.00 0.00 C ATOM 1010 CD GLN A 68 -11.630 -13.450 1.841 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.109 -13.039 2.892 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -11.700 -12.760 0.709 1.00 0.00 N ATOM 0 H GLN A 68 -8.747 -16.844 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.571 -14.745 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.095 -15.263 0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.115 -16.591 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.282 -15.419 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.853 -14.634 1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.288 -13.137 -0.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.165 -11.852 0.693 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.047 -13.009 -0.612 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.073 -11.993 -0.229 1.00 0.00 C ATOM 1023 C LEU A 69 -8.606 -11.126 0.907 1.00 0.00 C ATOM 1024 O LEU A 69 -9.747 -10.678 0.872 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.712 -11.117 -1.435 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.839 -9.893 -1.136 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.815 -10.198 -0.054 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.142 -9.436 -2.402 1.00 0.00 C ATOM 0 H LEU A 69 -9.757 -12.687 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.175 -12.502 0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.196 -11.737 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.636 -10.775 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.485 -9.094 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.211 -9.311 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.329 -10.490 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.170 -11.013 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.523 -8.566 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.514 -10.241 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.887 -9.172 -3.152 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.770 -10.896 1.912 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.152 -10.081 3.059 1.00 0.00 C ATOM 1042 C VAL A 70 -7.020 -9.114 3.420 1.00 0.00 C ATOM 1043 O VAL A 70 -5.952 -9.530 3.857 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.544 -10.968 4.278 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.939 -12.364 3.819 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.425 -11.059 5.307 1.00 0.00 C ATOM 0 H VAL A 70 -6.820 -11.264 1.956 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.032 -9.497 2.787 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.398 -10.489 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.209 -12.969 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.791 -12.297 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.100 -12.828 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.745 -11.688 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.539 -11.493 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.189 -10.061 5.677 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.248 -7.822 3.217 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.220 -6.826 3.508 1.00 0.00 C ATOM 1058 C ILE A 71 -6.593 -5.956 4.701 1.00 0.00 C ATOM 1059 O ILE A 71 -7.767 -5.812 5.047 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.913 -5.934 2.281 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.938 -4.805 2.141 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.874 -6.773 1.013 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.359 -5.293 1.972 1.00 0.00 C ATOM 0 H ILE A 71 -8.123 -7.441 2.857 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.319 -7.385 3.759 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.934 -5.480 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.885 -4.166 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.671 -4.188 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.657 -6.132 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.097 -7.532 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.840 -7.257 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.029 -4.438 1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.428 -5.907 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.646 -5.886 2.841 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.573 -5.384 5.327 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.766 -4.530 6.495 1.00 0.00 C ATOM 1077 C ASP A 72 -6.214 -3.122 6.098 1.00 0.00 C ATOM 1078 O ASP A 72 -5.799 -2.594 5.066 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.475 -4.454 7.311 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.307 -3.931 6.497 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.212 -4.283 5.302 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.488 -3.170 7.054 1.00 0.00 O ATOM 0 H ASP A 72 -4.599 -5.496 5.045 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.555 -4.974 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.631 -3.807 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.232 -5.445 7.695 1.00 0.00 H new ATOM 1087 N PRO A 73 -7.071 -2.499 6.927 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.586 -1.149 6.679 1.00 0.00 C ATOM 1089 C PRO A 73 -6.481 -0.157 6.334 1.00 0.00 C ATOM 1090 O PRO A 73 -6.691 0.772 5.559 1.00 0.00 O ATOM 1091 CB PRO A 73 -8.244 -0.775 8.007 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.652 -2.077 8.600 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.608 -3.072 8.173 1.00 0.00 C ATOM 0 HA PRO A 73 -8.264 -1.122 5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.550 -0.242 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.103 -0.122 7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.707 -2.011 9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.640 -2.373 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.831 -3.187 8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.039 -4.059 8.007 1.00 0.00 H new ATOM 1101 N MET A 74 -5.301 -0.365 6.907 1.00 0.00 N ATOM 1102 CA MET A 74 -4.166 0.504 6.649 1.00 0.00 C ATOM 1103 C MET A 74 -3.876 0.541 5.150 1.00 0.00 C ATOM 1104 O MET A 74 -3.717 1.605 4.543 1.00 0.00 O ATOM 1105 CB MET A 74 -2.946 0.016 7.449 1.00 0.00 C ATOM 1106 CG MET A 74 -1.604 0.184 6.749 1.00 0.00 C ATOM 1107 SD MET A 74 -0.259 0.520 7.902 1.00 0.00 S ATOM 1108 CE MET A 74 -0.498 2.269 8.201 1.00 0.00 C ATOM 0 H MET A 74 -5.108 -1.130 7.554 1.00 0.00 H new ATOM 0 HA MET A 74 -4.396 1.519 6.972 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.914 0.554 8.396 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.085 -1.039 7.686 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.377 -0.721 6.185 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.673 1.000 6.029 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.260 2.626 8.898 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.412 2.814 7.261 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.488 2.433 8.627 1.00 0.00 H new ATOM 1118 N SER A 75 -3.835 -0.633 4.553 1.00 0.00 N ATOM 1119 CA SER A 75 -3.587 -0.742 3.129 1.00 0.00 C ATOM 1120 C SER A 75 -4.812 -0.303 2.344 1.00 0.00 C ATOM 1121 O SER A 75 -4.697 0.207 1.232 1.00 0.00 O ATOM 1122 CB SER A 75 -3.215 -2.179 2.760 1.00 0.00 C ATOM 1123 OG SER A 75 -2.083 -2.617 3.491 1.00 0.00 O ATOM 0 H SER A 75 -3.970 -1.524 5.031 1.00 0.00 H new ATOM 0 HA SER A 75 -2.753 -0.088 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.059 -2.839 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.008 -2.241 1.692 1.00 0.00 H new ATOM 0 HG SER A 75 -2.366 -3.251 4.183 1.00 0.00 H new ATOM 1129 N LEU A 76 -5.991 -0.507 2.928 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.244 -0.145 2.279 1.00 0.00 C ATOM 1131 C LEU A 76 -7.174 1.260 1.671 1.00 0.00 C ATOM 1132 O LEU A 76 -7.570 1.460 0.527 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.397 -0.290 3.276 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.521 0.735 3.174 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.734 0.234 3.919 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.068 2.056 3.748 1.00 0.00 C ATOM 0 H LEU A 76 -6.102 -0.923 3.853 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.425 -0.826 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.830 -1.283 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.984 -0.243 4.284 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.781 0.879 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.536 0.969 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.064 -0.709 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.479 0.080 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.877 2.783 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.797 1.924 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.202 2.417 3.192 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.652 2.221 2.429 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.519 3.592 1.927 1.00 0.00 C ATOM 1150 C GLN A 77 -5.383 3.681 0.919 1.00 0.00 C ATOM 1151 O GLN A 77 -5.327 4.616 0.122 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.238 4.612 3.041 1.00 0.00 C ATOM 1153 CG GLN A 77 -7.218 4.585 4.199 1.00 0.00 C ATOM 1154 CD GLN A 77 -6.655 3.893 5.424 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -5.677 3.015 5.223 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -7.096 4.145 6.546 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.317 2.082 3.382 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.476 3.835 1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.235 4.436 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.240 5.612 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.496 5.607 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.130 4.077 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.847 4.826 6.658 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.710 3.673 7.364 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.456 2.726 0.980 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.311 2.731 0.085 1.00 0.00 C ATOM 1167 C TYR A 78 -3.601 2.020 -1.239 1.00 0.00 C ATOM 1168 O TYR A 78 -3.112 2.436 -2.288 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.108 2.079 0.766 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.537 2.890 1.909 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.339 3.303 2.966 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.191 3.232 1.934 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.815 4.034 4.014 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.340 3.964 2.978 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.476 4.362 4.016 1.00 0.00 C ATOM 1176 OH TYR A 78 0.049 5.090 5.058 1.00 0.00 O ATOM 0 H TYR A 78 -4.479 1.946 1.637 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.089 3.773 -0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.402 1.098 1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.327 1.916 0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.389 3.048 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.451 2.920 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.451 4.347 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.388 4.223 2.981 1.00 0.00 H new ATOM 0 HH TYR A 78 1.006 5.235 4.906 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.374 0.938 -1.188 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.685 0.177 -2.401 1.00 0.00 C ATOM 1188 C LEU A 79 -5.956 0.660 -3.098 1.00 0.00 C ATOM 1189 O LEU A 79 -6.184 0.343 -4.260 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.733 -1.341 -2.130 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.794 -1.894 -1.162 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.165 -2.202 0.180 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.974 -0.956 -0.989 1.00 0.00 C ATOM 0 H LEU A 79 -4.793 0.570 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.863 0.365 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.869 -1.842 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.755 -1.638 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.182 -2.812 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.925 -2.593 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.378 -2.945 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.739 -1.291 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.691 -1.397 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.626 -0.002 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.455 -0.794 -1.954 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.788 1.402 -2.375 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.061 1.906 -2.908 1.00 0.00 C ATOM 1207 C ILE A 80 -8.134 1.880 -4.436 1.00 0.00 C ATOM 1208 O ILE A 80 -7.278 2.408 -5.146 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.349 3.348 -2.453 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.224 4.264 -2.908 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.529 3.420 -0.947 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -5.882 3.858 -2.364 1.00 0.00 C ATOM 0 H ILE A 80 -6.606 1.673 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.809 1.223 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.281 3.679 -2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.183 4.267 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.444 5.284 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.731 4.450 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.365 2.787 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.620 3.074 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.120 4.549 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.909 3.882 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.644 2.849 -2.699 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.202 1.263 -4.893 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.524 1.117 -6.304 1.00 0.00 C ATOM 1226 C GLY A 81 -8.345 0.984 -7.260 1.00 0.00 C ATOM 1227 O GLY A 81 -8.470 1.345 -8.431 1.00 0.00 O ATOM 0 H GLY A 81 -9.894 0.835 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.158 0.238 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.116 1.980 -6.610 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.217 0.451 -6.804 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.086 0.283 -7.705 1.00 0.00 C ATOM 1233 C GLY A 82 -6.149 -1.038 -8.456 1.00 0.00 C ATOM 1234 O GLY A 82 -7.229 -1.595 -8.647 1.00 0.00 O ATOM 0 H GLY A 82 -7.064 0.137 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.066 1.106 -8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.158 0.333 -7.135 1.00 0.00 H new ATOM 1238 N THR A 83 -4.990 -1.546 -8.871 1.00 0.00 N ATOM 1239 CA THR A 83 -4.917 -2.819 -9.585 1.00 0.00 C ATOM 1240 C THR A 83 -3.609 -3.528 -9.256 1.00 0.00 C ATOM 1241 O THR A 83 -2.543 -2.923 -9.311 1.00 0.00 O ATOM 1242 CB THR A 83 -5.031 -2.608 -11.095 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.342 -2.200 -11.448 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.705 -3.855 -11.888 1.00 0.00 C ATOM 0 H THR A 83 -4.087 -1.094 -8.725 1.00 0.00 H new ATOM 0 HA THR A 83 -5.754 -3.439 -9.262 1.00 0.00 H new ATOM 0 HB THR A 83 -4.303 -1.835 -11.341 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.879 -2.085 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.803 -3.645 -12.953 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.683 -4.167 -11.672 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.394 -4.653 -11.611 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.685 -4.810 -8.913 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.480 -5.566 -8.575 1.00 0.00 C ATOM 1254 C VAL A 84 -2.297 -6.781 -9.470 1.00 0.00 C ATOM 1255 O VAL A 84 -3.262 -7.346 -9.981 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.454 -6.023 -7.086 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.719 -5.625 -6.347 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.215 -7.523 -6.967 1.00 0.00 C ATOM 0 H VAL A 84 -4.553 -5.342 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.654 -4.874 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.618 -5.506 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.658 -5.964 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.827 -4.541 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.582 -6.085 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.203 -7.807 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.013 -8.060 -7.479 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.257 -7.776 -7.422 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.043 -7.187 -9.628 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.715 -8.354 -10.430 1.00 0.00 C ATOM 1270 C ASP A 85 0.560 -9.021 -9.926 1.00 0.00 C ATOM 1271 O ASP A 85 1.488 -8.350 -9.474 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.567 -7.977 -11.904 1.00 0.00 C ATOM 1273 CG ASP A 85 0.151 -6.655 -12.100 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.529 -5.608 -12.127 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.394 -6.667 -12.225 1.00 0.00 O ATOM 0 H ASP A 85 -0.237 -6.723 -9.210 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.536 -9.064 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.019 -8.764 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.555 -7.921 -12.362 1.00 0.00 H new ATOM 1280 N TYR A 86 0.594 -10.345 -10.008 1.00 0.00 N ATOM 1281 CA TYR A 86 1.748 -11.111 -9.562 1.00 0.00 C ATOM 1282 C TYR A 86 2.362 -11.887 -10.721 1.00 0.00 C ATOM 1283 O TYR A 86 1.652 -12.364 -11.606 1.00 0.00 O ATOM 1284 CB TYR A 86 1.324 -12.074 -8.460 1.00 0.00 C ATOM 1285 CG TYR A 86 2.135 -11.958 -7.194 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.499 -12.200 -7.196 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.528 -11.618 -5.994 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.241 -12.106 -6.036 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.261 -11.522 -4.827 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.617 -11.767 -4.853 1.00 0.00 C ATOM 1291 OH TYR A 86 4.352 -11.673 -3.693 1.00 0.00 O ATOM 0 H TYR A 86 -0.168 -10.911 -10.381 1.00 0.00 H new ATOM 0 HA TYR A 86 2.498 -10.421 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.274 -11.899 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.400 -13.095 -8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.990 -12.467 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.466 -11.425 -5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.304 -12.297 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.774 -11.257 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 86 3.829 -11.201 -3.012 1.00 0.00 H new ATOM 1301 N THR A 87 3.681 -12.014 -10.706 1.00 0.00 N ATOM 1302 CA THR A 87 4.385 -12.740 -11.756 1.00 0.00 C ATOM 1303 C THR A 87 5.667 -13.373 -11.225 1.00 0.00 C ATOM 1304 O THR A 87 6.734 -12.761 -11.261 1.00 0.00 O ATOM 1305 CB THR A 87 4.709 -11.806 -12.923 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.527 -11.223 -13.443 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.421 -12.499 -14.065 1.00 0.00 C ATOM 0 H THR A 87 4.285 -11.626 -9.981 1.00 0.00 H new ATOM 0 HA THR A 87 3.730 -13.538 -12.107 1.00 0.00 H new ATOM 0 HB THR A 87 5.374 -11.048 -12.509 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.756 -10.628 -14.187 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.621 -11.780 -14.859 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.363 -12.916 -13.707 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.793 -13.301 -14.452 1.00 0.00 H new ATOM 1413 N PHE A 95 6.196 -8.553 -7.186 1.00 0.00 N ATOM 1414 CA PHE A 95 4.851 -8.024 -7.009 1.00 0.00 C ATOM 1415 C PHE A 95 4.765 -6.578 -7.476 1.00 0.00 C ATOM 1416 O PHE A 95 5.621 -5.758 -7.144 1.00 0.00 O ATOM 1417 CB PHE A 95 4.440 -8.118 -5.541 1.00 0.00 C ATOM 1418 CG PHE A 95 2.961 -7.998 -5.321 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.064 -8.654 -6.153 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.466 -7.228 -4.280 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.704 -8.540 -5.949 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.108 -7.111 -4.073 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.225 -7.768 -4.909 1.00 0.00 C ATOM 0 HA PHE A 95 4.170 -8.622 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.783 -9.071 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.947 -7.333 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.434 -9.259 -6.967 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.152 -6.714 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.015 -9.054 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.735 -6.507 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.839 -7.678 -4.749 1.00 0.00 H new ATOM 1433 N THR A 96 3.726 -6.268 -8.243 1.00 0.00 N ATOM 1434 CA THR A 96 3.543 -4.910 -8.739 1.00 0.00 C ATOM 1435 C THR A 96 2.075 -4.513 -8.773 1.00 0.00 C ATOM 1436 O THR A 96 1.269 -5.119 -9.479 1.00 0.00 O ATOM 1437 CB THR A 96 4.142 -4.756 -10.135 1.00 0.00 C ATOM 1438 OG1 THR A 96 5.317 -5.537 -10.270 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.496 -3.326 -10.476 1.00 0.00 C ATOM 0 H THR A 96 3.006 -6.930 -8.532 1.00 0.00 H new ATOM 0 HA THR A 96 4.062 -4.248 -8.046 1.00 0.00 H new ATOM 0 HB THR A 96 3.366 -5.096 -10.821 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.683 -5.424 -11.172 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.917 -3.285 -11.481 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.599 -2.709 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.228 -2.952 -9.761 1.00 0.00 H new ATOM 1447 N VAL A 97 1.745 -3.474 -8.020 1.00 0.00 N ATOM 1448 CA VAL A 97 0.384 -2.963 -7.970 1.00 0.00 C ATOM 1449 C VAL A 97 0.305 -1.658 -8.745 1.00 0.00 C ATOM 1450 O VAL A 97 1.328 -1.088 -9.123 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.093 -2.728 -6.518 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.602 -2.527 -6.458 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.330 -3.881 -5.619 1.00 0.00 C ATOM 0 H VAL A 97 2.406 -2.966 -7.432 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.269 -3.712 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 97 0.381 -1.816 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.907 -2.364 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.878 -1.660 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.103 -3.413 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.016 -3.695 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.108 -4.809 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.417 -3.966 -5.623 1.00 0.00 H new ATOM 1463 N ASN A 98 -0.906 -1.185 -8.980 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.103 0.053 -9.710 1.00 0.00 C ATOM 1465 C ASN A 98 -1.896 1.029 -8.866 1.00 0.00 C ATOM 1466 O ASN A 98 -2.383 0.675 -7.792 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.811 -0.217 -11.039 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.831 -0.619 -12.125 1.00 0.00 C ATOM 1469 OD1 ASN A 98 -0.024 0.192 -12.576 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.895 -1.876 -12.552 1.00 0.00 N ATOM 0 H ASN A 98 -1.767 -1.640 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.130 0.494 -9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.549 -1.008 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.353 0.676 -11.350 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.259 -2.200 -13.281 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.580 -2.517 -12.151 1.00 0.00 H new