USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 10 TYR OH : rot -7:sc= 1.85 USER MOD Set 1.2: A 73 TYR OH : rot 30:sc= -0.375 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 159:sc= -0.188 (180deg=-0.811) USER MOD Single : A 11 MET CE :methyl -159:sc= -6.74! (180deg=-7.32!) USER MOD Single : A 16 MET CE :methyl 170:sc= -4.4! (180deg=-4.81) USER MOD Single : A 17 MET CE :methyl -175:sc= -2.77! (180deg=-2.79!) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0371 (180deg=-0.221) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 51 THR OG1 : rot 98:sc= 1.18 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.266 F(o=-1.3,f=-0.27) USER MOD Single : A 57 MET CE :methyl 140:sc= -0.247 (180deg=-1.89) USER MOD Single : A 65 MET CE :methyl 166:sc= -0.0508 (180deg=-0.354) USER MOD Single : A 75 MET CE :methyl 144:sc= -0.889 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 68 N ASN A 5 -3.923 -24.126 2.383 1.00 0.00 N ATOM 69 CA ASN A 5 -2.876 -23.267 2.895 1.00 0.00 C ATOM 70 C ASN A 5 -2.335 -22.406 1.773 1.00 0.00 C ATOM 71 O ASN A 5 -2.453 -21.184 1.807 1.00 0.00 O ATOM 72 CB ASN A 5 -1.753 -24.101 3.510 1.00 0.00 C ATOM 73 CG ASN A 5 -0.615 -23.247 4.031 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.785 -22.468 4.969 1.00 0.00 O ATOM 75 ND2 ASN A 5 0.550 -23.383 3.414 1.00 0.00 N ATOM 0 HA ASN A 5 -3.291 -22.626 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.156 -24.701 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.369 -24.795 2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.353 -22.829 3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.644 -24.042 2.641 1.00 0.00 H new ATOM 82 N MET A 6 -1.763 -23.050 0.761 1.00 0.00 N ATOM 83 CA MET A 6 -1.237 -22.331 -0.384 1.00 0.00 C ATOM 84 C MET A 6 -2.296 -21.378 -0.920 1.00 0.00 C ATOM 85 O MET A 6 -1.984 -20.310 -1.449 1.00 0.00 O ATOM 86 CB MET A 6 -0.804 -23.303 -1.480 1.00 0.00 C ATOM 87 CG MET A 6 -1.901 -24.260 -1.915 1.00 0.00 C ATOM 88 SD MET A 6 -1.367 -25.380 -3.223 1.00 0.00 S ATOM 89 CE MET A 6 -0.009 -26.222 -2.415 1.00 0.00 C ATOM 0 H MET A 6 -1.654 -24.063 0.714 1.00 0.00 H new ATOM 0 HA MET A 6 -0.363 -21.761 -0.068 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.466 -22.734 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.050 -23.880 -1.125 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.231 -24.843 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.761 -23.687 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.183 -27.169 -2.919 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.884 -25.599 -2.461 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.266 -26.411 -1.373 1.00 0.00 H new ATOM 99 N ASP A 7 -3.559 -21.767 -0.753 1.00 0.00 N ATOM 100 CA ASP A 7 -4.671 -20.939 -1.195 1.00 0.00 C ATOM 101 C ASP A 7 -4.783 -19.721 -0.290 1.00 0.00 C ATOM 102 O ASP A 7 -5.041 -18.608 -0.745 1.00 0.00 O ATOM 103 CB ASP A 7 -5.974 -21.738 -1.179 1.00 0.00 C ATOM 104 CG ASP A 7 -7.144 -20.949 -1.732 1.00 0.00 C ATOM 105 OD1 ASP A 7 -7.456 -19.879 -1.172 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.749 -21.404 -2.727 1.00 0.00 O ATOM 0 H ASP A 7 -3.833 -22.647 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.489 -20.611 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.845 -22.649 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.197 -22.044 -0.157 1.00 0.00 H new ATOM 111 N LEU A 8 -4.557 -19.948 1.000 1.00 0.00 N ATOM 112 CA LEU A 8 -4.600 -18.884 1.991 1.00 0.00 C ATOM 113 C LEU A 8 -3.443 -17.912 1.778 1.00 0.00 C ATOM 114 O LEU A 8 -3.618 -16.696 1.844 1.00 0.00 O ATOM 115 CB LEU A 8 -4.539 -19.481 3.401 1.00 0.00 C ATOM 116 CG LEU A 8 -5.849 -20.091 3.906 1.00 0.00 C ATOM 117 CD1 LEU A 8 -5.657 -20.693 5.289 1.00 0.00 C ATOM 118 CD2 LEU A 8 -6.953 -19.042 3.926 1.00 0.00 C ATOM 0 H LEU A 8 -4.341 -20.868 1.384 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.536 -18.337 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.767 -20.250 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.228 -18.701 4.096 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.145 -20.887 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.598 -21.122 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.897 -21.473 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.338 -19.916 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.877 -19.493 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.666 -18.224 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.107 -18.657 2.918 1.00 0.00 H new ATOM 130 N LEU A 9 -2.263 -18.463 1.514 1.00 0.00 N ATOM 131 CA LEU A 9 -1.072 -17.655 1.281 1.00 0.00 C ATOM 132 C LEU A 9 -1.291 -16.702 0.109 1.00 0.00 C ATOM 133 O LEU A 9 -1.127 -15.486 0.240 1.00 0.00 O ATOM 134 CB LEU A 9 0.132 -18.558 1.013 1.00 0.00 C ATOM 135 CG LEU A 9 1.484 -17.845 0.988 1.00 0.00 C ATOM 136 CD1 LEU A 9 1.743 -17.159 2.321 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.599 -18.831 0.666 1.00 0.00 C ATOM 0 H LEU A 9 -2.106 -19.469 1.456 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.875 -17.062 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.162 -19.334 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.015 -19.059 0.056 1.00 0.00 H new ATOM 0 HG LEU A 9 1.463 -17.085 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.709 -16.655 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.958 -16.427 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.748 -17.903 3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.555 -18.307 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.624 -19.612 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.417 -19.280 -0.310 1.00 0.00 H new ATOM 149 N TYR A 10 -1.685 -17.254 -1.037 1.00 0.00 N ATOM 150 CA TYR A 10 -1.947 -16.436 -2.215 1.00 0.00 C ATOM 151 C TYR A 10 -2.954 -15.344 -1.883 1.00 0.00 C ATOM 152 O TYR A 10 -2.668 -14.153 -2.027 1.00 0.00 O ATOM 153 CB TYR A 10 -2.464 -17.289 -3.370 1.00 0.00 C ATOM 154 CG TYR A 10 -1.373 -17.841 -4.256 1.00 0.00 C ATOM 155 CD1 TYR A 10 -0.522 -18.853 -3.823 1.00 0.00 C ATOM 156 CD2 TYR A 10 -1.196 -17.340 -5.537 1.00 0.00 C ATOM 157 CE1 TYR A 10 0.468 -19.345 -4.649 1.00 0.00 C ATOM 158 CE2 TYR A 10 -0.208 -17.827 -6.364 1.00 0.00 C ATOM 159 CZ TYR A 10 0.623 -18.830 -5.917 1.00 0.00 C ATOM 160 OH TYR A 10 1.609 -19.321 -6.741 1.00 0.00 O ATOM 0 H TYR A 10 -1.828 -18.255 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.008 -15.975 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.045 -18.118 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.143 -16.690 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.638 -19.258 -2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.845 -16.553 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.120 -20.133 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.086 -17.424 -7.359 1.00 0.00 H new ATOM 0 HH TYR A 10 2.178 -19.940 -6.238 1.00 0.00 H new ATOM 170 N MET A 11 -4.128 -15.754 -1.409 1.00 0.00 N ATOM 171 CA MET A 11 -5.158 -14.798 -1.028 1.00 0.00 C ATOM 172 C MET A 11 -4.596 -13.808 -0.014 1.00 0.00 C ATOM 173 O MET A 11 -5.113 -12.704 0.144 1.00 0.00 O ATOM 174 CB MET A 11 -6.376 -15.513 -0.440 1.00 0.00 C ATOM 175 CG MET A 11 -7.087 -16.425 -1.425 1.00 0.00 C ATOM 176 SD MET A 11 -8.562 -17.187 -0.721 1.00 0.00 S ATOM 177 CE MET A 11 -7.873 -17.983 0.728 1.00 0.00 C ATOM 0 H MET A 11 -4.386 -16.733 -1.281 1.00 0.00 H new ATOM 0 HA MET A 11 -5.475 -14.260 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.059 -16.101 0.422 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.082 -14.767 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.365 -15.852 -2.310 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.400 -17.205 -1.753 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.540 -18.780 1.057 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.898 -18.404 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.761 -17.250 1.527 1.00 0.00 H new ATOM 187 N ALA A 12 -3.522 -14.214 0.664 1.00 0.00 N ATOM 188 CA ALA A 12 -2.882 -13.369 1.647 1.00 0.00 C ATOM 189 C ALA A 12 -2.207 -12.193 0.962 1.00 0.00 C ATOM 190 O ALA A 12 -2.387 -11.053 1.360 1.00 0.00 O ATOM 191 CB ALA A 12 -1.876 -14.164 2.468 1.00 0.00 C ATOM 0 H ALA A 12 -3.083 -15.127 0.543 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.643 -12.987 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.406 -13.509 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.388 -14.977 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.113 -14.576 1.808 1.00 0.00 H new ATOM 197 N ALA A 13 -1.431 -12.486 -0.076 1.00 0.00 N ATOM 198 CA ALA A 13 -0.729 -11.457 -0.828 1.00 0.00 C ATOM 199 C ALA A 13 -1.674 -10.686 -1.747 1.00 0.00 C ATOM 200 O ALA A 13 -1.342 -9.597 -2.213 1.00 0.00 O ATOM 201 CB ALA A 13 0.398 -12.084 -1.641 1.00 0.00 C ATOM 0 H ALA A 13 -1.273 -13.435 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.311 -10.748 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.918 -11.307 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.099 -12.579 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.017 -12.815 -2.335 1.00 0.00 H new ATOM 207 N ALA A 14 -2.860 -11.236 -1.997 1.00 0.00 N ATOM 208 CA ALA A 14 -3.828 -10.562 -2.855 1.00 0.00 C ATOM 209 C ALA A 14 -4.681 -9.632 -2.017 1.00 0.00 C ATOM 210 O ALA A 14 -5.010 -8.518 -2.423 1.00 0.00 O ATOM 211 CB ALA A 14 -4.690 -11.575 -3.595 1.00 0.00 C ATOM 0 H ALA A 14 -3.170 -12.133 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.296 -9.975 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.405 -11.050 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.055 -12.211 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.228 -12.191 -2.874 1.00 0.00 H new ATOM 217 N VAL A 15 -5.000 -10.103 -0.828 1.00 0.00 N ATOM 218 CA VAL A 15 -5.777 -9.344 0.125 1.00 0.00 C ATOM 219 C VAL A 15 -4.887 -8.288 0.771 1.00 0.00 C ATOM 220 O VAL A 15 -5.300 -7.152 1.001 1.00 0.00 O ATOM 221 CB VAL A 15 -6.341 -10.288 1.200 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.915 -9.511 2.377 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.397 -11.203 0.598 1.00 0.00 C ATOM 0 H VAL A 15 -4.725 -11.028 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.606 -8.853 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.519 -10.898 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.305 -10.209 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.131 -8.903 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.720 -8.865 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.787 -11.866 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.210 -10.602 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.951 -11.798 -0.199 1.00 0.00 H new ATOM 233 N MET A 16 -3.651 -8.689 1.040 1.00 0.00 N ATOM 234 CA MET A 16 -2.656 -7.817 1.645 1.00 0.00 C ATOM 235 C MET A 16 -2.207 -6.744 0.671 1.00 0.00 C ATOM 236 O MET A 16 -2.286 -5.553 0.967 1.00 0.00 O ATOM 237 CB MET A 16 -1.444 -8.639 2.101 1.00 0.00 C ATOM 238 CG MET A 16 -1.684 -9.405 3.393 1.00 0.00 C ATOM 239 SD MET A 16 -0.311 -10.491 3.828 1.00 0.00 S ATOM 240 CE MET A 16 1.013 -9.302 4.031 1.00 0.00 C ATOM 0 H MET A 16 -3.311 -9.630 0.844 1.00 0.00 H new ATOM 0 HA MET A 16 -3.112 -7.331 2.508 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.176 -9.344 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.592 -7.972 2.236 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.852 -8.696 4.204 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.593 -9.998 3.295 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.880 -9.795 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.284 -8.890 3.059 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.681 -8.497 4.686 1.00 0.00 H new ATOM 250 N MET A 17 -1.721 -7.166 -0.489 1.00 0.00 N ATOM 251 CA MET A 17 -1.245 -6.220 -1.481 1.00 0.00 C ATOM 252 C MET A 17 -2.395 -5.485 -2.139 1.00 0.00 C ATOM 253 O MET A 17 -2.299 -4.291 -2.410 1.00 0.00 O ATOM 254 CB MET A 17 -0.398 -6.933 -2.535 1.00 0.00 C ATOM 255 CG MET A 17 0.728 -7.774 -1.954 1.00 0.00 C ATOM 256 SD MET A 17 1.871 -8.371 -3.216 1.00 0.00 S ATOM 257 CE MET A 17 0.781 -9.380 -4.219 1.00 0.00 C ATOM 0 H MET A 17 -1.648 -8.146 -0.761 1.00 0.00 H new ATOM 0 HA MET A 17 -0.625 -5.484 -0.969 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.045 -7.574 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.027 -6.190 -3.209 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.278 -7.182 -1.222 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.303 -8.625 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.362 -9.888 -4.989 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.288 -10.120 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.030 -8.746 -4.690 1.00 0.00 H new ATOM 267 N GLY A 18 -3.488 -6.185 -2.383 1.00 0.00 N ATOM 268 CA GLY A 18 -4.628 -5.539 -2.986 1.00 0.00 C ATOM 269 C GLY A 18 -5.154 -4.434 -2.096 1.00 0.00 C ATOM 270 O GLY A 18 -5.367 -3.305 -2.545 1.00 0.00 O ATOM 0 H GLY A 18 -3.606 -7.177 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.348 -5.128 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.414 -6.272 -3.166 1.00 0.00 H new ATOM 274 N LEU A 19 -5.352 -4.767 -0.822 1.00 0.00 N ATOM 275 CA LEU A 19 -5.858 -3.815 0.155 1.00 0.00 C ATOM 276 C LEU A 19 -4.817 -2.767 0.546 1.00 0.00 C ATOM 277 O LEU A 19 -5.183 -1.644 0.900 1.00 0.00 O ATOM 278 CB LEU A 19 -6.348 -4.549 1.404 1.00 0.00 C ATOM 279 CG LEU A 19 -7.522 -5.503 1.175 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.896 -6.209 2.469 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.718 -4.748 0.615 1.00 0.00 C ATOM 0 H LEU A 19 -5.167 -5.696 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.689 -3.289 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.516 -5.115 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.640 -3.810 2.150 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.218 -6.256 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.733 -6.883 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.042 -6.781 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.182 -5.470 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.545 -5.441 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.022 -3.974 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.445 -4.287 -0.334 1.00 0.00 H new ATOM 293 N ALA A 20 -3.525 -3.102 0.490 1.00 0.00 N ATOM 294 CA ALA A 20 -2.515 -2.122 0.862 1.00 0.00 C ATOM 295 C ALA A 20 -2.204 -1.195 -0.290 1.00 0.00 C ATOM 296 O ALA A 20 -2.295 0.021 -0.153 1.00 0.00 O ATOM 297 CB ALA A 20 -1.254 -2.796 1.358 1.00 0.00 C ATOM 0 H ALA A 20 -3.167 -4.012 0.201 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.923 -1.525 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.519 -2.038 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.486 -3.404 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.848 -3.432 0.571 1.00 0.00 H new ATOM 303 N ALA A 21 -1.851 -1.764 -1.429 1.00 0.00 N ATOM 304 CA ALA A 21 -1.552 -0.958 -2.595 1.00 0.00 C ATOM 305 C ALA A 21 -2.740 -0.062 -2.907 1.00 0.00 C ATOM 306 O ALA A 21 -2.572 1.115 -3.227 1.00 0.00 O ATOM 307 CB ALA A 21 -1.204 -1.835 -3.787 1.00 0.00 C ATOM 0 H ALA A 21 -1.765 -2.771 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.683 -0.335 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.984 -1.206 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.331 -2.443 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.047 -2.486 -4.018 1.00 0.00 H new ATOM 313 N ILE A 22 -3.953 -0.613 -2.782 1.00 0.00 N ATOM 314 CA ILE A 22 -5.149 0.176 -3.024 1.00 0.00 C ATOM 315 C ILE A 22 -5.248 1.262 -1.969 1.00 0.00 C ATOM 316 O ILE A 22 -5.491 2.424 -2.288 1.00 0.00 O ATOM 317 CB ILE A 22 -6.431 -0.675 -3.012 1.00 0.00 C ATOM 318 CG1 ILE A 22 -7.615 0.144 -3.529 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.719 -1.199 -1.614 1.00 0.00 C ATOM 320 CD1 ILE A 22 -7.430 0.645 -4.944 1.00 0.00 C ATOM 0 H ILE A 22 -4.123 -1.584 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.063 0.611 -4.020 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.281 -1.530 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.517 -0.467 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.773 0.996 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.630 -1.798 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.885 -1.816 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.849 -0.360 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.307 1.217 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.547 1.282 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.302 -0.203 -5.616 1.00 0.00 H new ATOM 332 N GLY A 23 -5.011 0.892 -0.706 1.00 0.00 N ATOM 333 CA GLY A 23 -5.038 1.889 0.346 1.00 0.00 C ATOM 334 C GLY A 23 -4.064 3.002 0.026 1.00 0.00 C ATOM 335 O GLY A 23 -4.286 4.166 0.364 1.00 0.00 O ATOM 0 H GLY A 23 -4.806 -0.060 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.045 2.294 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.779 1.430 1.300 1.00 0.00 H new ATOM 339 N ALA A 24 -2.990 2.624 -0.665 1.00 0.00 N ATOM 340 CA ALA A 24 -1.961 3.557 -1.088 1.00 0.00 C ATOM 341 C ALA A 24 -2.500 4.470 -2.178 1.00 0.00 C ATOM 342 O ALA A 24 -2.464 5.692 -2.054 1.00 0.00 O ATOM 343 CB ALA A 24 -0.745 2.791 -1.593 1.00 0.00 C ATOM 0 H ALA A 24 -2.814 1.659 -0.945 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.663 4.170 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.024 3.496 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.354 2.162 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.034 2.166 -2.438 1.00 0.00 H new ATOM 349 N ALA A 25 -3.013 3.865 -3.247 1.00 0.00 N ATOM 350 CA ALA A 25 -3.570 4.635 -4.355 1.00 0.00 C ATOM 351 C ALA A 25 -4.726 5.510 -3.877 1.00 0.00 C ATOM 352 O ALA A 25 -4.615 6.739 -3.820 1.00 0.00 O ATOM 353 CB ALA A 25 -4.032 3.703 -5.464 1.00 0.00 C ATOM 0 H ALA A 25 -3.054 2.853 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.790 5.286 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.445 4.290 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.185 3.120 -5.826 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.797 3.030 -5.078 1.00 0.00 H new ATOM 359 N ILE A 26 -5.831 4.865 -3.521 1.00 0.00 N ATOM 360 CA ILE A 26 -7.010 5.570 -3.036 1.00 0.00 C ATOM 361 C ILE A 26 -6.637 6.582 -1.970 1.00 0.00 C ATOM 362 O ILE A 26 -7.116 7.704 -1.997 1.00 0.00 O ATOM 363 CB ILE A 26 -8.053 4.600 -2.454 1.00 0.00 C ATOM 364 CG1 ILE A 26 -8.416 3.522 -3.477 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.299 5.356 -2.015 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.978 4.078 -4.768 1.00 0.00 C ATOM 0 H ILE A 26 -5.934 3.851 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.443 6.083 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.618 4.114 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.528 2.932 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.146 2.844 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.025 4.654 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.031 6.087 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.734 5.870 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.213 3.257 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.885 4.644 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.242 4.733 -5.233 1.00 0.00 H new ATOM 378 N GLY A 27 -5.774 6.189 -1.038 1.00 0.00 N ATOM 379 CA GLY A 27 -5.367 7.112 0.003 1.00 0.00 C ATOM 380 C GLY A 27 -4.840 8.398 -0.567 1.00 0.00 C ATOM 381 O GLY A 27 -5.438 9.446 -0.384 1.00 0.00 O ATOM 0 H GLY A 27 -5.355 5.261 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.216 7.323 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.599 6.647 0.622 1.00 0.00 H new ATOM 385 N ILE A 28 -3.730 8.319 -1.286 1.00 0.00 N ATOM 386 CA ILE A 28 -3.153 9.502 -1.904 1.00 0.00 C ATOM 387 C ILE A 28 -4.254 10.322 -2.560 1.00 0.00 C ATOM 388 O ILE A 28 -4.202 11.551 -2.585 1.00 0.00 O ATOM 389 CB ILE A 28 -2.092 9.123 -2.951 1.00 0.00 C ATOM 390 CG1 ILE A 28 -0.989 8.300 -2.290 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.512 10.369 -3.611 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.025 7.679 -3.276 1.00 0.00 C ATOM 0 H ILE A 28 -3.215 7.455 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.666 10.091 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.564 8.523 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.433 8.938 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.445 7.510 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.764 10.076 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.310 10.924 -4.105 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.047 10.999 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.731 7.109 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.569 7.015 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.459 8.465 -3.856 1.00 0.00 H new ATOM 404 N GLY A 29 -5.271 9.622 -3.062 1.00 0.00 N ATOM 405 CA GLY A 29 -6.389 10.295 -3.683 1.00 0.00 C ATOM 406 C GLY A 29 -7.282 10.974 -2.662 1.00 0.00 C ATOM 407 O GLY A 29 -7.732 12.101 -2.874 1.00 0.00 O ATOM 0 H GLY A 29 -5.336 8.604 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.018 11.037 -4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.974 9.574 -4.254 1.00 0.00 H new ATOM 411 N ILE A 30 -7.533 10.293 -1.542 1.00 0.00 N ATOM 412 CA ILE A 30 -8.379 10.853 -0.490 1.00 0.00 C ATOM 413 C ILE A 30 -7.611 11.890 0.322 1.00 0.00 C ATOM 414 O ILE A 30 -7.965 13.070 0.349 1.00 0.00 O ATOM 415 CB ILE A 30 -8.908 9.753 0.454 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.702 8.711 -0.336 1.00 0.00 C ATOM 417 CG2 ILE A 30 -9.771 10.357 1.553 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.905 9.284 -1.052 1.00 0.00 C ATOM 0 H ILE A 30 -7.166 9.362 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.229 11.331 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.055 9.261 0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.044 8.242 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.034 7.926 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.134 9.565 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.179 11.064 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.619 10.875 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.420 8.489 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.584 9.728 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.579 10.048 -1.757 1.00 0.00 H new ATOM 430 N LEU A 31 -6.547 11.436 0.967 1.00 0.00 N ATOM 431 CA LEU A 31 -5.702 12.290 1.765 1.00 0.00 C ATOM 432 C LEU A 31 -5.112 13.410 0.919 1.00 0.00 C ATOM 433 O LEU A 31 -5.072 14.556 1.352 1.00 0.00 O ATOM 434 CB LEU A 31 -4.594 11.448 2.396 1.00 0.00 C ATOM 435 CG LEU A 31 -4.779 11.135 3.881 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.623 10.290 4.395 1.00 0.00 C ATOM 437 CD2 LEU A 31 -4.901 12.421 4.685 1.00 0.00 C ATOM 0 H LEU A 31 -6.250 10.460 0.947 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.298 12.751 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.518 10.508 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.645 11.969 2.266 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.701 10.566 4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.771 10.077 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.581 9.354 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.688 10.833 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.032 12.180 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.997 13.016 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.762 12.990 4.333 1.00 0.00 H new ATOM 449 N GLY A 32 -4.664 13.076 -0.288 1.00 0.00 N ATOM 450 CA GLY A 32 -4.092 14.079 -1.165 1.00 0.00 C ATOM 451 C GLY A 32 -5.132 15.053 -1.684 1.00 0.00 C ATOM 452 O GLY A 32 -4.891 16.259 -1.734 1.00 0.00 O ATOM 0 H GLY A 32 -4.687 12.131 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.319 14.629 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.606 13.587 -2.008 1.00 0.00 H new ATOM 456 N GLY A 33 -6.292 14.530 -2.071 1.00 0.00 N ATOM 457 CA GLY A 33 -7.352 15.379 -2.581 1.00 0.00 C ATOM 458 C GLY A 33 -7.841 16.384 -1.554 1.00 0.00 C ATOM 459 O GLY A 33 -8.243 17.493 -1.907 1.00 0.00 O ATOM 0 H GLY A 33 -6.516 13.535 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.994 15.911 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.188 14.757 -2.902 1.00 0.00 H new ATOM 463 N LYS A 34 -7.813 15.995 -0.282 1.00 0.00 N ATOM 464 CA LYS A 34 -8.265 16.872 0.794 1.00 0.00 C ATOM 465 C LYS A 34 -7.114 17.696 1.366 1.00 0.00 C ATOM 466 O LYS A 34 -7.331 18.774 1.921 1.00 0.00 O ATOM 467 CB LYS A 34 -8.919 16.051 1.907 1.00 0.00 C ATOM 468 CG LYS A 34 -10.126 15.252 1.442 1.00 0.00 C ATOM 469 CD LYS A 34 -10.735 14.447 2.579 1.00 0.00 C ATOM 470 CE LYS A 34 -11.203 15.346 3.711 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.227 16.326 3.254 1.00 0.00 N ATOM 0 H LYS A 34 -7.483 15.081 0.028 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.998 17.561 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.180 15.368 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.224 16.721 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.876 15.929 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.830 14.579 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.577 13.865 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.000 13.737 2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.618 14.735 4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.349 15.880 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.655 16.791 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.777 17.041 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.965 15.831 2.715 1.00 0.00 H new ATOM 485 N PHE A 35 -5.893 17.188 1.235 1.00 0.00 N ATOM 486 CA PHE A 35 -4.723 17.878 1.743 1.00 0.00 C ATOM 487 C PHE A 35 -4.520 19.208 1.020 1.00 0.00 C ATOM 488 O PHE A 35 -4.321 20.246 1.650 1.00 0.00 O ATOM 489 CB PHE A 35 -3.495 16.995 1.560 1.00 0.00 C ATOM 490 CG PHE A 35 -2.718 16.767 2.821 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.262 16.036 3.864 1.00 0.00 C ATOM 492 CD2 PHE A 35 -1.443 17.281 2.961 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.546 15.822 5.024 1.00 0.00 C ATOM 494 CE2 PHE A 35 -0.720 17.072 4.118 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.272 16.340 5.152 1.00 0.00 C ATOM 0 H PHE A 35 -5.692 16.298 0.779 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.871 18.085 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.809 16.031 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.839 17.451 0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.258 15.629 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.007 17.853 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.981 15.250 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.275 17.480 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.709 16.173 6.058 1.00 0.00 H new ATOM 505 N LEU A 36 -4.565 19.162 -0.309 1.00 0.00 N ATOM 506 CA LEU A 36 -4.381 20.357 -1.127 1.00 0.00 C ATOM 507 C LEU A 36 -5.312 21.479 -0.681 1.00 0.00 C ATOM 508 O LEU A 36 -4.922 22.646 -0.653 1.00 0.00 O ATOM 509 CB LEU A 36 -4.624 20.033 -2.603 1.00 0.00 C ATOM 510 CG LEU A 36 -4.450 21.214 -3.560 1.00 0.00 C ATOM 511 CD1 LEU A 36 -3.023 21.740 -3.511 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.823 20.805 -4.978 1.00 0.00 C ATOM 0 H LEU A 36 -4.728 18.308 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.353 20.695 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.941 19.238 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.636 19.642 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.118 22.015 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.921 22.579 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.792 22.070 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.333 20.948 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.694 21.655 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.179 19.987 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.863 20.479 -5.001 1.00 0.00 H new ATOM 524 N GLU A 37 -6.544 21.121 -0.329 1.00 0.00 N ATOM 525 CA GLU A 37 -7.526 22.103 0.121 1.00 0.00 C ATOM 526 C GLU A 37 -6.939 22.986 1.216 1.00 0.00 C ATOM 527 O GLU A 37 -7.015 24.213 1.146 1.00 0.00 O ATOM 528 CB GLU A 37 -8.785 21.403 0.631 1.00 0.00 C ATOM 529 CG GLU A 37 -9.467 20.538 -0.417 1.00 0.00 C ATOM 530 CD GLU A 37 -10.712 19.853 0.112 1.00 0.00 C ATOM 531 OE1 GLU A 37 -10.595 19.076 1.084 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.804 20.096 -0.443 1.00 0.00 O ATOM 0 H GLU A 37 -6.886 20.160 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.793 22.732 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.524 20.783 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.491 22.155 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.733 21.155 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.765 19.784 -0.773 1.00 0.00 H new ATOM 539 N GLY A 38 -6.344 22.353 2.221 1.00 0.00 N ATOM 540 CA GLY A 38 -5.741 23.101 3.308 1.00 0.00 C ATOM 541 C GLY A 38 -4.707 24.093 2.811 1.00 0.00 C ATOM 542 O GLY A 38 -4.645 25.227 3.285 1.00 0.00 O ATOM 0 H GLY A 38 -6.269 21.339 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.518 23.632 3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.272 22.409 4.008 1.00 0.00 H new ATOM 546 N ALA A 39 -3.897 23.662 1.850 1.00 0.00 N ATOM 547 CA ALA A 39 -2.865 24.508 1.279 1.00 0.00 C ATOM 548 C ALA A 39 -3.471 25.680 0.512 1.00 0.00 C ATOM 549 O ALA A 39 -2.829 26.713 0.330 1.00 0.00 O ATOM 550 CB ALA A 39 -1.957 23.693 0.371 1.00 0.00 C ATOM 0 H ALA A 39 -3.939 22.724 1.450 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.272 24.915 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.188 24.340 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.486 22.897 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.546 23.257 -0.436 1.00 0.00 H new ATOM 556 N ALA A 40 -4.713 25.511 0.061 1.00 0.00 N ATOM 557 CA ALA A 40 -5.408 26.550 -0.686 1.00 0.00 C ATOM 558 C ALA A 40 -5.396 27.873 0.071 1.00 0.00 C ATOM 559 O ALA A 40 -5.485 28.945 -0.529 1.00 0.00 O ATOM 560 CB ALA A 40 -6.837 26.121 -0.981 1.00 0.00 C ATOM 0 H ALA A 40 -5.257 24.660 0.202 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.882 26.698 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.345 26.907 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.827 25.205 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.364 25.943 -0.044 1.00 0.00 H new ATOM 566 N ARG A 41 -5.277 27.788 1.391 1.00 0.00 N ATOM 567 CA ARG A 41 -5.244 28.977 2.234 1.00 0.00 C ATOM 568 C ARG A 41 -4.017 28.965 3.141 1.00 0.00 C ATOM 569 O ARG A 41 -4.096 29.321 4.317 1.00 0.00 O ATOM 570 CB ARG A 41 -6.520 29.089 3.077 1.00 0.00 C ATOM 571 CG ARG A 41 -6.810 27.869 3.940 1.00 0.00 C ATOM 572 CD ARG A 41 -7.528 26.779 3.157 1.00 0.00 C ATOM 573 NE ARG A 41 -8.808 27.243 2.624 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.639 26.480 1.920 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.334 25.214 1.664 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.781 26.983 1.471 1.00 0.00 N ATOM 0 H ARG A 41 -5.202 26.908 1.901 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.185 29.846 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.440 29.965 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.367 29.259 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.875 27.475 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.420 28.165 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.893 26.444 2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.695 25.918 3.804 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.080 28.210 2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.458 24.821 2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.976 24.634 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.022 27.955 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.419 26.398 0.931 1.00 0.00 H new ATOM 590 N GLN A 42 -2.882 28.554 2.583 1.00 0.00 N ATOM 591 CA GLN A 42 -1.633 28.494 3.334 1.00 0.00 C ATOM 592 C GLN A 42 -0.432 28.576 2.393 1.00 0.00 C ATOM 593 O GLN A 42 -0.544 28.266 1.207 1.00 0.00 O ATOM 594 CB GLN A 42 -1.567 27.200 4.150 1.00 0.00 C ATOM 595 CG GLN A 42 -2.676 27.070 5.181 1.00 0.00 C ATOM 596 CD GLN A 42 -2.564 25.797 5.998 1.00 0.00 C ATOM 597 OE1 GLN A 42 -2.601 24.692 5.457 1.00 0.00 O ATOM 598 NE2 GLN A 42 -2.426 25.947 7.311 1.00 0.00 N ATOM 0 H GLN A 42 -2.802 28.257 1.611 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.602 29.346 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.614 26.349 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.604 27.150 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.649 27.930 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.642 27.090 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.400 26.882 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.346 25.127 7.912 1.00 0.00 H new ATOM 607 N PRO A 43 0.739 28.989 2.909 1.00 0.00 N ATOM 608 CA PRO A 43 1.957 29.100 2.101 1.00 0.00 C ATOM 609 C PRO A 43 2.507 27.736 1.721 1.00 0.00 C ATOM 610 O PRO A 43 2.399 26.784 2.487 1.00 0.00 O ATOM 611 CB PRO A 43 2.931 29.838 3.021 1.00 0.00 C ATOM 612 CG PRO A 43 2.467 29.523 4.399 1.00 0.00 C ATOM 613 CD PRO A 43 0.971 29.371 4.315 1.00 0.00 C ATOM 0 HA PRO A 43 1.781 29.614 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.956 29.502 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.915 30.912 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.931 28.608 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.739 30.319 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.606 28.608 5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.459 30.299 4.568 1.00 0.00 H new ATOM 621 N ASP A 44 3.098 27.643 0.535 1.00 0.00 N ATOM 622 CA ASP A 44 3.660 26.382 0.065 1.00 0.00 C ATOM 623 C ASP A 44 5.028 26.118 0.690 1.00 0.00 C ATOM 624 O ASP A 44 5.942 25.634 0.022 1.00 0.00 O ATOM 625 CB ASP A 44 3.775 26.390 -1.462 1.00 0.00 C ATOM 626 CG ASP A 44 2.433 26.574 -2.144 1.00 0.00 C ATOM 627 OD1 ASP A 44 1.414 26.692 -1.432 1.00 0.00 O ATOM 628 OD2 ASP A 44 2.402 26.598 -3.393 1.00 0.00 O ATOM 0 H ASP A 44 3.200 28.422 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 44 2.987 25.581 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.448 27.191 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.223 25.453 -1.794 1.00 0.00 H new ATOM 633 N LEU A 45 5.162 26.438 1.973 1.00 0.00 N ATOM 634 CA LEU A 45 6.419 26.231 2.683 1.00 0.00 C ATOM 635 C LEU A 45 6.334 25.030 3.613 1.00 0.00 C ATOM 636 O LEU A 45 7.052 24.045 3.444 1.00 0.00 O ATOM 637 CB LEU A 45 6.789 27.483 3.480 1.00 0.00 C ATOM 638 CG LEU A 45 8.096 27.387 4.269 1.00 0.00 C ATOM 639 CD1 LEU A 45 9.265 27.128 3.331 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.326 28.656 5.075 1.00 0.00 C ATOM 0 H LEU A 45 4.417 26.841 2.541 1.00 0.00 H new ATOM 0 HA LEU A 45 7.194 26.035 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.859 28.325 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.979 27.705 4.175 1.00 0.00 H new ATOM 0 HG LEU A 45 8.021 26.550 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.187 27.062 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.103 26.191 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.344 27.945 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.260 28.570 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.382 29.510 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.501 28.798 5.773 1.00 0.00 H new ATOM 652 N ILE A 46 5.459 25.129 4.598 1.00 0.00 N ATOM 653 CA ILE A 46 5.272 24.069 5.573 1.00 0.00 C ATOM 654 C ILE A 46 4.341 22.968 5.063 1.00 0.00 C ATOM 655 O ILE A 46 4.652 21.785 5.194 1.00 0.00 O ATOM 656 CB ILE A 46 4.709 24.650 6.878 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.708 25.629 7.498 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.357 23.544 7.865 1.00 0.00 C ATOM 659 CD1 ILE A 46 5.225 26.251 8.790 1.00 0.00 C ATOM 0 H ILE A 46 4.861 25.942 4.744 1.00 0.00 H new ATOM 0 HA ILE A 46 6.249 23.621 5.752 1.00 0.00 H new ATOM 0 HB ILE A 46 3.792 25.190 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.647 25.108 7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.920 26.421 6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.961 23.985 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.607 22.888 7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.251 22.967 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.985 26.933 9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.302 26.801 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.040 25.467 9.524 1.00 0.00 H new ATOM 671 N PRO A 47 3.176 23.326 4.487 1.00 0.00 N ATOM 672 CA PRO A 47 2.227 22.331 3.991 1.00 0.00 C ATOM 673 C PRO A 47 2.736 21.604 2.755 1.00 0.00 C ATOM 674 O PRO A 47 2.378 20.454 2.516 1.00 0.00 O ATOM 675 CB PRO A 47 0.973 23.143 3.669 1.00 0.00 C ATOM 676 CG PRO A 47 1.460 24.528 3.431 1.00 0.00 C ATOM 677 CD PRO A 47 2.688 24.704 4.285 1.00 0.00 C ATOM 0 HA PRO A 47 2.052 21.544 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.462 22.748 2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.260 23.112 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.695 24.681 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.696 25.259 3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.435 25.324 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.450 25.187 5.233 1.00 0.00 H new ATOM 685 N LEU A 48 3.589 22.266 1.980 1.00 0.00 N ATOM 686 CA LEU A 48 4.154 21.647 0.787 1.00 0.00 C ATOM 687 C LEU A 48 4.985 20.440 1.202 1.00 0.00 C ATOM 688 O LEU A 48 4.921 19.376 0.584 1.00 0.00 O ATOM 689 CB LEU A 48 5.012 22.656 0.016 1.00 0.00 C ATOM 690 CG LEU A 48 5.521 22.185 -1.352 1.00 0.00 C ATOM 691 CD1 LEU A 48 6.213 23.325 -2.080 1.00 0.00 C ATOM 692 CD2 LEU A 48 6.470 21.003 -1.202 1.00 0.00 C ATOM 0 H LEU A 48 3.902 23.221 2.154 1.00 0.00 H new ATOM 0 HA LEU A 48 3.349 21.321 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.430 23.566 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.871 22.920 0.632 1.00 0.00 H new ATOM 0 HG LEU A 48 4.662 21.861 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.569 22.975 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.509 24.144 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.059 23.675 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.817 20.688 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.325 21.298 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.948 20.177 -0.719 1.00 0.00 H new ATOM 704 N LEU A 49 5.744 20.620 2.279 1.00 0.00 N ATOM 705 CA LEU A 49 6.581 19.568 2.827 1.00 0.00 C ATOM 706 C LEU A 49 5.712 18.441 3.376 1.00 0.00 C ATOM 707 O LEU A 49 5.961 17.260 3.124 1.00 0.00 O ATOM 708 CB LEU A 49 7.479 20.170 3.916 1.00 0.00 C ATOM 709 CG LEU A 49 7.645 19.342 5.189 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.205 17.962 4.868 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.541 20.066 6.181 1.00 0.00 C ATOM 0 H LEU A 49 5.793 21.500 2.793 1.00 0.00 H new ATOM 0 HA LEU A 49 7.213 19.142 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.467 20.342 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.076 21.145 4.192 1.00 0.00 H new ATOM 0 HG LEU A 49 6.662 19.212 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.315 17.390 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.524 17.440 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.178 18.067 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.649 19.462 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.522 20.229 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.096 21.027 6.439 1.00 0.00 H new ATOM 723 N ARG A 50 4.680 18.818 4.112 1.00 0.00 N ATOM 724 CA ARG A 50 3.758 17.849 4.681 1.00 0.00 C ATOM 725 C ARG A 50 2.999 17.142 3.573 1.00 0.00 C ATOM 726 O ARG A 50 2.945 15.914 3.515 1.00 0.00 O ATOM 727 CB ARG A 50 2.774 18.549 5.615 1.00 0.00 C ATOM 728 CG ARG A 50 1.752 17.617 6.238 1.00 0.00 C ATOM 729 CD ARG A 50 0.487 18.369 6.609 1.00 0.00 C ATOM 730 NE ARG A 50 0.755 19.471 7.529 1.00 0.00 N ATOM 731 CZ ARG A 50 -0.184 20.283 8.008 1.00 0.00 C ATOM 732 NH1 ARG A 50 -1.455 20.119 7.660 1.00 0.00 N ATOM 733 NH2 ARG A 50 0.146 21.262 8.840 1.00 0.00 N ATOM 0 H ARG A 50 4.459 19.790 4.330 1.00 0.00 H new ATOM 0 HA ARG A 50 4.327 17.114 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.332 19.045 6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.251 19.327 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.512 16.816 5.539 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.175 17.149 7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.018 18.757 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.223 17.680 7.066 1.00 0.00 H new ATOM 0 HE ARG A 50 1.719 19.628 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.716 19.367 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.170 20.745 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.120 21.393 9.113 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.574 21.884 9.207 1.00 0.00 H new ATOM 747 N THR A 51 2.416 17.937 2.692 1.00 0.00 N ATOM 748 CA THR A 51 1.652 17.423 1.569 1.00 0.00 C ATOM 749 C THR A 51 2.410 16.323 0.840 1.00 0.00 C ATOM 750 O THR A 51 1.850 15.268 0.548 1.00 0.00 O ATOM 751 CB THR A 51 1.321 18.561 0.607 1.00 0.00 C ATOM 752 OG1 THR A 51 0.484 19.518 1.233 1.00 0.00 O ATOM 753 CG2 THR A 51 0.630 18.106 -0.661 1.00 0.00 C ATOM 0 H THR A 51 2.459 18.955 2.735 1.00 0.00 H new ATOM 0 HA THR A 51 0.728 16.992 1.954 1.00 0.00 H new ATOM 0 HB THR A 51 2.285 18.991 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.028 20.267 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.427 18.969 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.274 17.407 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.309 17.613 -0.407 1.00 0.00 H new ATOM 761 N GLN A 52 3.685 16.562 0.553 1.00 0.00 N ATOM 762 CA GLN A 52 4.486 15.559 -0.139 1.00 0.00 C ATOM 763 C GLN A 52 4.646 14.331 0.735 1.00 0.00 C ATOM 764 O GLN A 52 4.482 13.200 0.279 1.00 0.00 O ATOM 765 CB GLN A 52 5.854 16.111 -0.537 1.00 0.00 C ATOM 766 CG GLN A 52 6.646 16.717 0.605 1.00 0.00 C ATOM 767 CD GLN A 52 8.061 17.078 0.195 1.00 0.00 C ATOM 768 OE1 GLN A 52 8.333 18.372 0.072 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 8.895 16.202 -0.032 1.00 0.00 N flip ATOM 0 H GLN A 52 4.179 17.424 0.783 1.00 0.00 H new ATOM 0 HA GLN A 52 3.963 15.282 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.440 15.307 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.715 16.869 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.135 17.610 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.679 16.012 1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.644 15.219 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.837 16.459 -0.327 1.00 0.00 H new ATOM 778 N PHE A 53 4.953 14.566 1.998 1.00 0.00 N ATOM 779 CA PHE A 53 5.122 13.482 2.961 1.00 0.00 C ATOM 780 C PHE A 53 3.942 12.519 2.898 1.00 0.00 C ATOM 781 O PHE A 53 4.110 11.306 3.032 1.00 0.00 O ATOM 782 CB PHE A 53 5.261 14.051 4.373 1.00 0.00 C ATOM 783 CG PHE A 53 5.478 13.003 5.427 1.00 0.00 C ATOM 784 CD1 PHE A 53 4.460 12.135 5.791 1.00 0.00 C ATOM 785 CD2 PHE A 53 6.708 12.883 6.048 1.00 0.00 C ATOM 786 CE1 PHE A 53 4.667 11.169 6.757 1.00 0.00 C ATOM 787 CE2 PHE A 53 6.922 11.920 7.016 1.00 0.00 C ATOM 788 CZ PHE A 53 5.899 11.062 7.371 1.00 0.00 C ATOM 0 H PHE A 53 5.092 15.499 2.386 1.00 0.00 H new ATOM 0 HA PHE A 53 6.029 12.933 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.096 14.752 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.363 14.618 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.494 12.215 5.314 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.511 13.550 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.866 10.498 7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.887 11.838 7.494 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.063 10.309 8.128 1.00 0.00 H new ATOM 798 N PHE A 54 2.749 13.064 2.683 1.00 0.00 N ATOM 799 CA PHE A 54 1.547 12.244 2.590 1.00 0.00 C ATOM 800 C PHE A 54 1.451 11.585 1.220 1.00 0.00 C ATOM 801 O PHE A 54 1.074 10.417 1.108 1.00 0.00 O ATOM 802 CB PHE A 54 0.299 13.084 2.871 1.00 0.00 C ATOM 803 CG PHE A 54 0.106 13.392 4.329 1.00 0.00 C ATOM 804 CD1 PHE A 54 1.111 13.999 5.063 1.00 0.00 C ATOM 805 CD2 PHE A 54 -1.082 13.070 4.966 1.00 0.00 C ATOM 806 CE1 PHE A 54 0.936 14.280 6.405 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.263 13.349 6.307 1.00 0.00 C ATOM 808 CZ PHE A 54 -0.253 13.955 7.028 1.00 0.00 C ATOM 0 H PHE A 54 2.589 14.065 2.570 1.00 0.00 H new ATOM 0 HA PHE A 54 1.610 11.459 3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.366 14.019 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.578 12.554 2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.043 14.256 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.875 12.596 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.728 14.753 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.194 13.093 6.791 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.393 14.174 8.076 1.00 0.00 H new ATOM 818 N ILE A 55 1.816 12.329 0.179 1.00 0.00 N ATOM 819 CA ILE A 55 1.789 11.796 -1.176 1.00 0.00 C ATOM 820 C ILE A 55 2.690 10.571 -1.266 1.00 0.00 C ATOM 821 O ILE A 55 2.336 9.566 -1.885 1.00 0.00 O ATOM 822 CB ILE A 55 2.236 12.850 -2.212 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.238 14.008 -2.255 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.377 12.223 -3.591 1.00 0.00 C ATOM 825 CD1 ILE A 55 -0.155 13.590 -2.672 1.00 0.00 C ATOM 0 H ILE A 55 2.132 13.296 0.249 1.00 0.00 H new ATOM 0 HA ILE A 55 0.761 11.517 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 55 3.209 13.237 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.190 14.472 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.604 14.767 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.693 12.983 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.121 11.428 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.418 11.809 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.809 14.462 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.120 13.153 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.540 12.854 -1.967 1.00 0.00 H new ATOM 837 N VAL A 56 3.848 10.654 -0.621 1.00 0.00 N ATOM 838 CA VAL A 56 4.791 9.549 -0.605 1.00 0.00 C ATOM 839 C VAL A 56 4.330 8.494 0.384 1.00 0.00 C ATOM 840 O VAL A 56 4.346 7.303 0.085 1.00 0.00 O ATOM 841 CB VAL A 56 6.213 10.014 -0.242 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.190 8.849 -0.290 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.661 11.133 -1.170 1.00 0.00 C ATOM 0 H VAL A 56 4.154 11.477 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 56 4.824 9.128 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 56 6.198 10.400 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.188 9.201 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.878 8.083 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.204 8.427 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.668 11.449 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.658 10.775 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.978 11.978 -1.078 1.00 0.00 H new ATOM 853 N MET A 57 3.888 8.937 1.557 1.00 0.00 N ATOM 854 CA MET A 57 3.389 8.010 2.564 1.00 0.00 C ATOM 855 C MET A 57 2.335 7.099 1.945 1.00 0.00 C ATOM 856 O MET A 57 2.141 5.963 2.379 1.00 0.00 O ATOM 857 CB MET A 57 2.798 8.771 3.753 1.00 0.00 C ATOM 858 CG MET A 57 2.236 7.864 4.837 1.00 0.00 C ATOM 859 SD MET A 57 1.543 8.784 6.225 1.00 0.00 S ATOM 860 CE MET A 57 0.241 9.702 5.406 1.00 0.00 C ATOM 0 H MET A 57 3.865 9.919 1.831 1.00 0.00 H new ATOM 0 HA MET A 57 4.220 7.404 2.926 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.570 9.407 4.187 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.006 9.429 3.395 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.463 7.227 4.407 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.026 7.207 5.200 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.643 9.725 6.043 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.578 10.721 5.216 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.005 9.219 4.460 1.00 0.00 H new ATOM 870 N GLY A 58 1.666 7.608 0.910 1.00 0.00 N ATOM 871 CA GLY A 58 0.652 6.836 0.226 1.00 0.00 C ATOM 872 C GLY A 58 1.190 6.166 -1.024 1.00 0.00 C ATOM 873 O GLY A 58 0.681 5.132 -1.448 1.00 0.00 O ATOM 0 H GLY A 58 1.813 8.545 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.257 6.077 0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.180 7.488 -0.042 1.00 0.00 H new ATOM 877 N LEU A 59 2.225 6.756 -1.609 1.00 0.00 N ATOM 878 CA LEU A 59 2.840 6.205 -2.812 1.00 0.00 C ATOM 879 C LEU A 59 3.820 5.086 -2.450 1.00 0.00 C ATOM 880 O LEU A 59 4.368 4.416 -3.325 1.00 0.00 O ATOM 881 CB LEU A 59 3.550 7.324 -3.588 1.00 0.00 C ATOM 882 CG LEU A 59 4.205 6.918 -4.915 1.00 0.00 C ATOM 883 CD1 LEU A 59 5.540 6.225 -4.674 1.00 0.00 C ATOM 884 CD2 LEU A 59 3.273 6.023 -5.719 1.00 0.00 C ATOM 0 H LEU A 59 2.657 7.616 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 59 2.063 5.777 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.826 8.113 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.318 7.754 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 59 4.395 7.824 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.984 5.947 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.211 6.902 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.382 5.329 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.754 5.745 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.048 5.123 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.348 6.558 -5.931 1.00 0.00 H new ATOM 896 N VAL A 60 4.023 4.880 -1.151 1.00 0.00 N ATOM 897 CA VAL A 60 4.926 3.848 -0.664 1.00 0.00 C ATOM 898 C VAL A 60 4.223 2.935 0.338 1.00 0.00 C ATOM 899 O VAL A 60 4.859 2.103 0.982 1.00 0.00 O ATOM 900 CB VAL A 60 6.173 4.466 -0.003 1.00 0.00 C ATOM 901 CG1 VAL A 60 7.163 3.386 0.402 1.00 0.00 C ATOM 902 CG2 VAL A 60 6.826 5.475 -0.936 1.00 0.00 C ATOM 0 H VAL A 60 3.569 5.420 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 60 5.238 3.259 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 60 5.857 4.988 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.035 3.847 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.690 2.707 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.475 2.828 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.705 5.901 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.125 4.977 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.117 6.270 -1.166 1.00 0.00 H new ATOM 912 N ASP A 61 2.906 3.089 0.461 1.00 0.00 N ATOM 913 CA ASP A 61 2.123 2.265 1.375 1.00 0.00 C ATOM 914 C ASP A 61 1.944 0.864 0.794 1.00 0.00 C ATOM 915 O ASP A 61 1.685 -0.096 1.519 1.00 0.00 O ATOM 916 CB ASP A 61 0.763 2.909 1.634 1.00 0.00 C ATOM 917 CG ASP A 61 -0.051 2.155 2.668 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.356 0.967 2.432 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.382 2.752 3.714 1.00 0.00 O ATOM 0 H ASP A 61 2.361 3.776 -0.060 1.00 0.00 H new ATOM 0 HA ASP A 61 2.656 2.187 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.909 3.936 1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.203 2.956 0.700 1.00 0.00 H new ATOM 924 N ALA A 62 2.102 0.765 -0.523 1.00 0.00 N ATOM 925 CA ALA A 62 1.985 -0.513 -1.232 1.00 0.00 C ATOM 926 C ALA A 62 3.313 -1.246 -1.200 1.00 0.00 C ATOM 927 O ALA A 62 3.392 -2.415 -0.833 1.00 0.00 O ATOM 928 CB ALA A 62 1.573 -0.279 -2.676 1.00 0.00 C ATOM 0 H ALA A 62 2.313 1.559 -1.128 1.00 0.00 H new ATOM 0 HA ALA A 62 1.224 -1.116 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.490 -1.236 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.610 0.231 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.323 0.336 -3.173 1.00 0.00 H new ATOM 934 N ILE A 63 4.359 -0.519 -1.564 1.00 0.00 N ATOM 935 CA ILE A 63 5.724 -1.034 -1.575 1.00 0.00 C ATOM 936 C ILE A 63 6.015 -2.014 -0.439 1.00 0.00 C ATOM 937 O ILE A 63 6.761 -2.977 -0.629 1.00 0.00 O ATOM 938 CB ILE A 63 6.724 0.137 -1.485 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.017 0.671 -2.880 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.019 -0.281 -0.794 1.00 0.00 C ATOM 941 CD1 ILE A 63 7.671 -0.365 -3.765 1.00 0.00 C ATOM 0 H ILE A 63 4.286 0.453 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 63 5.836 -1.579 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 63 6.271 0.924 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.088 1.005 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.667 1.543 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.699 0.570 -0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.798 -0.622 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.487 -1.090 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.860 0.064 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.614 -0.681 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.011 -1.227 -3.865 1.00 0.00 H new ATOM 953 N PRO A 64 5.466 -1.784 0.761 1.00 0.00 N ATOM 954 CA PRO A 64 5.719 -2.646 1.903 1.00 0.00 C ATOM 955 C PRO A 64 4.842 -3.886 1.879 1.00 0.00 C ATOM 956 O PRO A 64 5.344 -5.008 1.836 1.00 0.00 O ATOM 957 CB PRO A 64 5.392 -1.745 3.114 1.00 0.00 C ATOM 958 CG PRO A 64 5.043 -0.404 2.535 1.00 0.00 C ATOM 959 CD PRO A 64 4.582 -0.684 1.137 1.00 0.00 C ATOM 0 HA PRO A 64 6.740 -3.028 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.562 -2.151 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.244 -1.671 3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.261 0.084 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.906 0.262 2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.531 -0.970 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.700 0.181 0.484 1.00 0.00 H new ATOM 967 N MET A 65 3.531 -3.684 1.882 1.00 0.00 N ATOM 968 CA MET A 65 2.603 -4.796 1.832 1.00 0.00 C ATOM 969 C MET A 65 2.848 -5.604 0.567 1.00 0.00 C ATOM 970 O MET A 65 2.599 -6.807 0.522 1.00 0.00 O ATOM 971 CB MET A 65 1.168 -4.287 1.862 1.00 0.00 C ATOM 972 CG MET A 65 0.155 -5.355 2.244 1.00 0.00 C ATOM 973 SD MET A 65 0.545 -6.169 3.806 1.00 0.00 S ATOM 974 CE MET A 65 0.504 -4.777 4.933 1.00 0.00 C ATOM 0 H MET A 65 3.092 -2.764 1.918 1.00 0.00 H new ATOM 0 HA MET A 65 2.761 -5.434 2.702 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.098 -3.461 2.570 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.911 -3.888 0.881 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.834 -4.902 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.108 -6.103 1.453 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.477 -5.141 5.960 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.394 -4.165 4.788 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.385 -4.177 4.738 1.00 0.00 H new ATOM 984 N ILE A 66 3.361 -4.925 -0.457 1.00 0.00 N ATOM 985 CA ILE A 66 3.672 -5.565 -1.725 1.00 0.00 C ATOM 986 C ILE A 66 4.899 -6.443 -1.571 1.00 0.00 C ATOM 987 O ILE A 66 4.862 -7.620 -1.903 1.00 0.00 O ATOM 988 CB ILE A 66 3.917 -4.528 -2.847 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.636 -3.746 -3.157 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.441 -5.208 -4.107 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.588 -4.554 -3.887 1.00 0.00 C ATOM 0 H ILE A 66 3.569 -3.927 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 66 2.812 -6.172 -2.009 1.00 0.00 H new ATOM 0 HB ILE A 66 4.672 -3.825 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.212 -3.378 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.891 -2.873 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.606 -4.460 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.381 -5.713 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.711 -5.938 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.712 -3.932 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.993 -4.900 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.303 -5.413 -3.280 1.00 0.00 H new ATOM 1003 N ALA A 67 5.981 -5.878 -1.043 1.00 0.00 N ATOM 1004 CA ALA A 67 7.193 -6.654 -0.828 1.00 0.00 C ATOM 1005 C ALA A 67 6.877 -7.827 0.088 1.00 0.00 C ATOM 1006 O ALA A 67 7.435 -8.916 -0.054 1.00 0.00 O ATOM 1007 CB ALA A 67 8.290 -5.783 -0.233 1.00 0.00 C ATOM 0 H ALA A 67 6.042 -4.900 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 67 7.555 -7.033 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.188 -6.382 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.513 -4.963 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.956 -5.379 0.723 1.00 0.00 H new ATOM 1013 N VAL A 68 5.950 -7.596 1.015 1.00 0.00 N ATOM 1014 CA VAL A 68 5.524 -8.631 1.943 1.00 0.00 C ATOM 1015 C VAL A 68 4.718 -9.695 1.212 1.00 0.00 C ATOM 1016 O VAL A 68 4.915 -10.891 1.434 1.00 0.00 O ATOM 1017 CB VAL A 68 4.683 -8.050 3.097 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.301 -9.141 4.087 1.00 0.00 C ATOM 1019 CG2 VAL A 68 5.437 -6.928 3.796 1.00 0.00 C ATOM 0 H VAL A 68 5.481 -6.699 1.140 1.00 0.00 H new ATOM 0 HA VAL A 68 6.422 -9.079 2.368 1.00 0.00 H new ATOM 0 HB VAL A 68 3.766 -7.636 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.708 -8.709 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.717 -9.907 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.204 -9.589 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.827 -6.530 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.372 -7.315 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.652 -6.134 3.081 1.00 0.00 H new ATOM 1029 N GLY A 69 3.831 -9.266 0.313 1.00 0.00 N ATOM 1030 CA GLY A 69 3.053 -10.223 -0.448 1.00 0.00 C ATOM 1031 C GLY A 69 3.939 -10.969 -1.420 1.00 0.00 C ATOM 1032 O GLY A 69 3.677 -12.116 -1.774 1.00 0.00 O ATOM 0 H GLY A 69 3.642 -8.286 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.570 -10.928 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.260 -9.708 -0.991 1.00 0.00 H new ATOM 1036 N LEU A 70 5.006 -10.296 -1.830 1.00 0.00 N ATOM 1037 CA LEU A 70 5.984 -10.849 -2.747 1.00 0.00 C ATOM 1038 C LEU A 70 6.840 -11.878 -2.026 1.00 0.00 C ATOM 1039 O LEU A 70 7.290 -12.856 -2.615 1.00 0.00 O ATOM 1040 CB LEU A 70 6.860 -9.720 -3.290 1.00 0.00 C ATOM 1041 CG LEU A 70 6.929 -9.643 -4.808 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.766 -8.453 -5.249 1.00 0.00 C ATOM 1043 CD2 LEU A 70 7.484 -10.935 -5.385 1.00 0.00 C ATOM 0 H LEU A 70 5.215 -9.344 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 70 5.474 -11.338 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.484 -8.771 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.870 -9.843 -2.900 1.00 0.00 H new ATOM 0 HG LEU A 70 5.917 -9.506 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.802 -8.417 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.319 -7.534 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.778 -8.554 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.525 -10.860 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.487 -11.106 -4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.838 -11.766 -5.103 1.00 0.00 H new ATOM 1055 N GLY A 71 7.042 -11.648 -0.738 1.00 0.00 N ATOM 1056 CA GLY A 71 7.827 -12.562 0.065 1.00 0.00 C ATOM 1057 C GLY A 71 7.052 -13.823 0.372 1.00 0.00 C ATOM 1058 O GLY A 71 7.555 -14.931 0.192 1.00 0.00 O ATOM 0 H GLY A 71 6.675 -10.842 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.746 -12.816 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.118 -12.075 0.996 1.00 0.00 H new ATOM 1062 N LEU A 72 5.816 -13.646 0.820 1.00 0.00 N ATOM 1063 CA LEU A 72 4.947 -14.771 1.138 1.00 0.00 C ATOM 1064 C LEU A 72 4.567 -15.522 -0.138 1.00 0.00 C ATOM 1065 O LEU A 72 4.516 -16.756 -0.164 1.00 0.00 O ATOM 1066 CB LEU A 72 3.689 -14.275 1.859 1.00 0.00 C ATOM 1067 CG LEU A 72 3.940 -13.632 3.225 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.631 -13.174 3.848 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.660 -14.606 4.146 1.00 0.00 C ATOM 0 H LEU A 72 5.392 -12.731 0.972 1.00 0.00 H new ATOM 0 HA LEU A 72 5.482 -15.455 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.184 -13.551 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.007 -15.116 1.989 1.00 0.00 H new ATOM 0 HG LEU A 72 4.576 -12.758 3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.829 -12.719 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.154 -12.443 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.970 -14.031 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.831 -14.133 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.049 -15.498 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.617 -14.885 3.704 1.00 0.00 H new ATOM 1081 N TYR A 73 4.318 -14.766 -1.199 1.00 0.00 N ATOM 1082 CA TYR A 73 3.955 -15.350 -2.485 1.00 0.00 C ATOM 1083 C TYR A 73 5.158 -16.076 -3.081 1.00 0.00 C ATOM 1084 O TYR A 73 5.105 -17.280 -3.359 1.00 0.00 O ATOM 1085 CB TYR A 73 3.449 -14.252 -3.419 1.00 0.00 C ATOM 1086 CG TYR A 73 2.886 -14.753 -4.727 1.00 0.00 C ATOM 1087 CD1 TYR A 73 3.718 -15.259 -5.716 1.00 0.00 C ATOM 1088 CD2 TYR A 73 1.517 -14.709 -4.974 1.00 0.00 C ATOM 1089 CE1 TYR A 73 3.205 -15.705 -6.919 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.998 -15.156 -6.173 1.00 0.00 C ATOM 1091 CZ TYR A 73 1.846 -15.651 -7.143 1.00 0.00 C ATOM 1092 OH TYR A 73 1.333 -16.092 -8.341 1.00 0.00 O ATOM 0 H TYR A 73 4.361 -13.747 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 73 3.156 -16.079 -2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.679 -13.679 -2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.269 -13.566 -3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.783 -15.305 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.852 -14.320 -4.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.865 -16.094 -7.680 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.067 -15.118 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 73 1.904 -16.804 -8.699 1.00 0.00 H new ATOM 1102 N VAL A 74 6.264 -15.352 -3.239 1.00 0.00 N ATOM 1103 CA VAL A 74 7.484 -15.953 -3.759 1.00 0.00 C ATOM 1104 C VAL A 74 7.893 -17.123 -2.873 1.00 0.00 C ATOM 1105 O VAL A 74 8.528 -18.071 -3.334 1.00 0.00 O ATOM 1106 CB VAL A 74 8.640 -14.937 -3.851 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.940 -15.626 -4.245 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.303 -13.837 -4.844 1.00 0.00 C ATOM 0 H VAL A 74 6.338 -14.359 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 74 7.277 -16.303 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 74 8.776 -14.489 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.740 -14.888 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.194 -16.378 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.818 -16.106 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.130 -13.129 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.137 -14.274 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.401 -13.318 -4.520 1.00 0.00 H new ATOM 1118 N MET A 75 7.496 -17.063 -1.600 1.00 0.00 N ATOM 1119 CA MET A 75 7.795 -18.139 -0.669 1.00 0.00 C ATOM 1120 C MET A 75 7.115 -19.401 -1.157 1.00 0.00 C ATOM 1121 O MET A 75 7.759 -20.433 -1.339 1.00 0.00 O ATOM 1122 CB MET A 75 7.336 -17.793 0.749 1.00 0.00 C ATOM 1123 CG MET A 75 7.605 -18.896 1.759 1.00 0.00 C ATOM 1124 SD MET A 75 7.069 -18.459 3.425 1.00 0.00 S ATOM 1125 CE MET A 75 5.320 -18.190 3.157 1.00 0.00 C ATOM 0 H MET A 75 6.972 -16.286 -1.198 1.00 0.00 H new ATOM 0 HA MET A 75 8.874 -18.289 -0.629 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.840 -16.883 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.268 -17.577 0.734 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.093 -19.805 1.443 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.672 -19.119 1.772 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.761 -18.537 4.026 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.134 -17.127 3.007 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.998 -18.743 2.275 1.00 0.00 H new ATOM 1135 N PHE A 76 5.812 -19.299 -1.425 1.00 0.00 N ATOM 1136 CA PHE A 76 5.077 -20.436 -1.959 1.00 0.00 C ATOM 1137 C PHE A 76 5.816 -20.970 -3.179 1.00 0.00 C ATOM 1138 O PHE A 76 5.872 -22.177 -3.414 1.00 0.00 O ATOM 1139 CB PHE A 76 3.647 -20.042 -2.347 1.00 0.00 C ATOM 1140 CG PHE A 76 3.007 -21.006 -3.311 1.00 0.00 C ATOM 1141 CD1 PHE A 76 3.359 -20.984 -4.653 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.076 -21.939 -2.882 1.00 0.00 C ATOM 1143 CE1 PHE A 76 2.792 -21.870 -5.548 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.506 -22.828 -3.777 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.865 -22.792 -5.110 1.00 0.00 C ATOM 0 H PHE A 76 5.256 -18.455 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 76 5.013 -21.206 -1.190 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.037 -19.980 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.659 -19.047 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.085 -20.265 -5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.793 -21.973 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.074 -21.841 -6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.780 -23.550 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.420 -23.485 -5.809 1.00 0.00 H new ATOM 1155 N ALA A 77 6.381 -20.046 -3.952 1.00 0.00 N ATOM 1156 CA ALA A 77 7.124 -20.402 -5.154 1.00 0.00 C ATOM 1157 C ALA A 77 8.340 -21.258 -4.815 1.00 0.00 C ATOM 1158 O ALA A 77 8.769 -22.089 -5.615 1.00 0.00 O ATOM 1159 CB ALA A 77 7.548 -19.146 -5.903 1.00 0.00 C ATOM 0 H ALA A 77 6.337 -19.044 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 77 6.469 -20.990 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.102 -19.426 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.664 -18.576 -6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.182 -18.536 -5.260 1.00 0.00 H new ATOM 1165 N VAL A 78 8.890 -21.050 -3.623 1.00 0.00 N ATOM 1166 CA VAL A 78 10.056 -21.803 -3.177 1.00 0.00 C ATOM 1167 C VAL A 78 9.650 -23.176 -2.653 1.00 0.00 C ATOM 1168 O VAL A 78 10.096 -24.204 -3.164 1.00 0.00 O ATOM 1169 CB VAL A 78 10.825 -21.049 -2.076 1.00 0.00 C ATOM 1170 CG1 VAL A 78 12.075 -21.815 -1.668 1.00 0.00 C ATOM 1171 CG2 VAL A 78 11.181 -19.645 -2.542 1.00 0.00 C ATOM 0 H VAL A 78 8.547 -20.366 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 78 10.708 -21.924 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 78 10.179 -20.968 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.602 -21.263 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.792 -22.797 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.727 -21.934 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.724 -19.126 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.806 -19.705 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.268 -19.097 -2.775 1.00 0.00 H new