USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0959 X(o=0.096,f=-0.1) USER MOD Single : A 21 ASN : amide:sc=-0.00394 X(o=-0.0039,f=-0.0039) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -80:sc= 0.0163 USER MOD Single : A 49 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.058) USER MOD Single : A 51 GLN : amide:sc= -0.0366 K(o=-0.037,f=-1.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00502) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 2.165 8.654 -1.044 1.00 0.00 N ATOM 94 CA GLU A 10 1.705 7.706 -2.052 1.00 0.00 C ATOM 95 C GLU A 10 2.226 6.302 -1.758 1.00 0.00 C ATOM 96 O GLU A 10 3.349 6.133 -1.282 1.00 0.00 O ATOM 97 CB GLU A 10 2.158 8.148 -3.445 1.00 0.00 C ATOM 98 CG GLU A 10 3.662 8.079 -3.647 1.00 0.00 C ATOM 99 CD GLU A 10 4.374 9.327 -3.163 1.00 0.00 C ATOM 100 OE1 GLU A 10 4.110 10.414 -3.718 1.00 0.00 O ATOM 101 OE2 GLU A 10 5.195 9.217 -2.229 1.00 0.00 O ATOM 0 HA GLU A 10 0.616 7.684 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.671 7.521 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.823 9.171 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.056 7.212 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.876 7.931 -4.705 1.00 0.00 H new ATOM 108 N TYR A 11 1.403 5.300 -2.044 1.00 0.00 N ATOM 109 CA TYR A 11 1.779 3.911 -1.807 1.00 0.00 C ATOM 110 C TYR A 11 1.651 3.087 -3.085 1.00 0.00 C ATOM 111 O TYR A 11 0.680 3.222 -3.829 1.00 0.00 O ATOM 112 CB TYR A 11 0.907 3.305 -0.706 1.00 0.00 C ATOM 113 CG TYR A 11 1.205 3.851 0.672 1.00 0.00 C ATOM 114 CD1 TYR A 11 1.137 5.215 0.930 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.553 3.004 1.716 1.00 0.00 C ATOM 116 CE1 TYR A 11 1.409 5.718 2.187 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.825 3.498 2.977 1.00 0.00 C ATOM 118 CZ TYR A 11 1.753 4.856 3.207 1.00 0.00 C ATOM 119 OH TYR A 11 2.023 5.353 4.462 1.00 0.00 O ATOM 0 H TYR A 11 0.471 5.423 -2.440 1.00 0.00 H new ATOM 0 HA TYR A 11 2.821 3.892 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.141 3.489 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.047 2.224 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.867 5.893 0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.612 1.940 1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.353 6.781 2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.092 2.825 3.778 1.00 0.00 H new ATOM 0 HH TYR A 11 2.248 4.614 5.065 1.00 0.00 H new ATOM 129 N ARG A 12 2.638 2.232 -3.331 1.00 0.00 N ATOM 130 CA ARG A 12 2.638 1.386 -4.518 1.00 0.00 C ATOM 131 C ARG A 12 2.227 -0.042 -4.168 1.00 0.00 C ATOM 132 O ARG A 12 2.830 -0.677 -3.304 1.00 0.00 O ATOM 133 CB ARG A 12 4.021 1.384 -5.170 1.00 0.00 C ATOM 134 CG ARG A 12 4.034 0.793 -6.571 1.00 0.00 C ATOM 135 CD ARG A 12 5.347 1.079 -7.284 1.00 0.00 C ATOM 136 NE ARG A 12 6.438 0.252 -6.774 1.00 0.00 N ATOM 137 CZ ARG A 12 7.667 0.266 -7.278 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.960 1.059 -8.299 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.606 -0.515 -6.759 1.00 0.00 N ATOM 0 H ARG A 12 3.448 2.107 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 12 1.913 1.793 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.394 2.407 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.709 0.820 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.877 -0.284 -6.514 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.207 1.206 -7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.226 0.901 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.603 2.132 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 12 6.246 -0.370 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.241 1.661 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.905 1.067 -8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.384 -1.126 -5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.550 -0.504 -7.146 1.00 0.00 H new ATOM 153 N ALA A 13 1.196 -0.538 -4.844 1.00 0.00 N ATOM 154 CA ALA A 13 0.706 -1.890 -4.605 1.00 0.00 C ATOM 155 C ALA A 13 1.856 -2.891 -4.559 1.00 0.00 C ATOM 156 O ALA A 13 2.969 -2.594 -4.995 1.00 0.00 O ATOM 157 CB ALA A 13 -0.297 -2.285 -5.679 1.00 0.00 C ATOM 0 H ALA A 13 0.684 -0.024 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 13 0.208 -1.903 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.655 -3.297 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.139 -1.593 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.183 -2.248 -6.657 1.00 0.00 H new ATOM 163 N LEU A 14 1.580 -4.077 -4.027 1.00 0.00 N ATOM 164 CA LEU A 14 2.593 -5.122 -3.923 1.00 0.00 C ATOM 165 C LEU A 14 2.111 -6.413 -4.576 1.00 0.00 C ATOM 166 O LEU A 14 2.914 -7.229 -5.029 1.00 0.00 O ATOM 167 CB LEU A 14 2.940 -5.378 -2.456 1.00 0.00 C ATOM 168 CG LEU A 14 3.685 -4.253 -1.736 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.843 -4.577 -0.259 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.044 -4.016 -2.380 1.00 0.00 C ATOM 0 H LEU A 14 0.664 -4.339 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 14 3.486 -4.782 -4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.016 -5.579 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.546 -6.282 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 14 3.098 -3.339 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.375 -3.765 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.859 -4.696 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.408 -5.502 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.560 -3.212 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.638 -4.928 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.908 -3.738 -3.425 1.00 0.00 H new ATOM 182 N TYR A 15 0.795 -6.591 -4.624 1.00 0.00 N ATOM 183 CA TYR A 15 0.206 -7.784 -5.222 1.00 0.00 C ATOM 184 C TYR A 15 -1.099 -7.447 -5.935 1.00 0.00 C ATOM 185 O TYR A 15 -1.873 -6.607 -5.474 1.00 0.00 O ATOM 186 CB TYR A 15 -0.044 -8.846 -4.150 1.00 0.00 C ATOM 187 CG TYR A 15 1.092 -8.989 -3.162 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.197 -8.139 -2.068 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.059 -9.974 -3.322 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.233 -8.265 -1.163 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.097 -10.108 -2.422 1.00 0.00 C ATOM 192 CZ TYR A 15 3.180 -9.251 -1.344 1.00 0.00 C ATOM 193 OH TYR A 15 4.214 -9.381 -0.445 1.00 0.00 O ATOM 0 H TYR A 15 0.116 -5.925 -4.256 1.00 0.00 H new ATOM 0 HA TYR A 15 0.909 -8.177 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.956 -8.596 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.215 -9.807 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.456 -7.367 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.997 -10.646 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.301 -7.595 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.840 -10.879 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 15 4.792 -10.124 -0.717 1.00 0.00 H new ATOM 203 N ASP A 16 -1.338 -8.109 -7.062 1.00 0.00 N ATOM 204 CA ASP A 16 -2.550 -7.883 -7.840 1.00 0.00 C ATOM 205 C ASP A 16 -3.774 -8.426 -7.109 1.00 0.00 C ATOM 206 O ASP A 16 -3.883 -9.629 -6.868 1.00 0.00 O ATOM 207 CB ASP A 16 -2.429 -8.540 -9.216 1.00 0.00 C ATOM 208 CG ASP A 16 -2.204 -10.036 -9.125 1.00 0.00 C ATOM 209 OD1 ASP A 16 -1.650 -10.491 -8.103 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.581 -10.752 -10.076 1.00 0.00 O ATOM 0 H ASP A 16 -0.708 -8.807 -7.457 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.674 -6.808 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.336 -8.346 -9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.603 -8.084 -9.762 1.00 0.00 H new ATOM 215 N TYR A 17 -4.692 -7.532 -6.757 1.00 0.00 N ATOM 216 CA TYR A 17 -5.906 -7.921 -6.050 1.00 0.00 C ATOM 217 C TYR A 17 -7.124 -7.822 -6.964 1.00 0.00 C ATOM 218 O TYR A 17 -7.137 -7.045 -7.920 1.00 0.00 O ATOM 219 CB TYR A 17 -6.108 -7.041 -4.816 1.00 0.00 C ATOM 220 CG TYR A 17 -7.402 -7.312 -4.083 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.547 -8.440 -3.284 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.479 -6.441 -4.188 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.728 -8.692 -2.613 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.663 -6.684 -3.519 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.783 -7.812 -2.734 1.00 0.00 C ATOM 226 OH TYR A 17 -10.960 -8.059 -2.066 1.00 0.00 O ATOM 0 H TYR A 17 -4.618 -6.533 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.795 -8.958 -5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.274 -7.193 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.084 -5.994 -5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.723 -9.131 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.389 -5.558 -4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.825 -9.574 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.490 -5.995 -3.610 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.601 -7.343 -2.257 1.00 0.00 H new ATOM 236 N THR A 18 -8.148 -8.614 -6.663 1.00 0.00 N ATOM 237 CA THR A 18 -9.371 -8.617 -7.456 1.00 0.00 C ATOM 238 C THR A 18 -10.585 -8.288 -6.595 1.00 0.00 C ATOM 239 O THR A 18 -10.898 -9.005 -5.645 1.00 0.00 O ATOM 240 CB THR A 18 -9.595 -9.980 -8.139 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.466 -10.309 -8.956 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.855 -9.958 -8.991 1.00 0.00 C ATOM 0 H THR A 18 -8.155 -9.262 -5.875 1.00 0.00 H new ATOM 0 HA THR A 18 -9.253 -7.850 -8.222 1.00 0.00 H new ATOM 0 HB THR A 18 -9.714 -10.736 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.615 -11.177 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.992 -10.931 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.716 -9.736 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.761 -9.192 -9.760 1.00 0.00 H new ATOM 250 N ALA A 19 -11.267 -7.198 -6.934 1.00 0.00 N ATOM 251 CA ALA A 19 -12.449 -6.776 -6.193 1.00 0.00 C ATOM 252 C ALA A 19 -13.668 -7.603 -6.586 1.00 0.00 C ATOM 253 O ALA A 19 -13.982 -7.738 -7.768 1.00 0.00 O ATOM 254 CB ALA A 19 -12.715 -5.296 -6.424 1.00 0.00 C ATOM 0 H ALA A 19 -11.021 -6.592 -7.717 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.260 -6.939 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.601 -4.994 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.857 -4.715 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.878 -5.117 -7.487 1.00 0.00 H new ATOM 260 N GLN A 20 -14.350 -8.154 -5.587 1.00 0.00 N ATOM 261 CA GLN A 20 -15.534 -8.969 -5.831 1.00 0.00 C ATOM 262 C GLN A 20 -16.770 -8.094 -6.012 1.00 0.00 C ATOM 263 O GLN A 20 -17.510 -8.242 -6.984 1.00 0.00 O ATOM 264 CB GLN A 20 -15.753 -9.947 -4.674 1.00 0.00 C ATOM 265 CG GLN A 20 -14.565 -10.860 -4.417 1.00 0.00 C ATOM 266 CD GLN A 20 -14.094 -11.572 -5.670 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.614 -12.629 -6.030 1.00 0.00 O ATOM 268 NE2 GLN A 20 -13.105 -10.995 -6.343 1.00 0.00 N ATOM 0 H GLN A 20 -14.103 -8.051 -4.603 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.373 -9.533 -6.750 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.969 -9.382 -3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.631 -10.557 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.743 -10.274 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.836 -11.600 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.703 -10.119 -6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.747 -11.428 -7.194 1.00 0.00 H new ATOM 277 N ASN A 21 -16.987 -7.182 -5.070 1.00 0.00 N ATOM 278 CA ASN A 21 -18.134 -6.283 -5.126 1.00 0.00 C ATOM 279 C ASN A 21 -17.824 -5.058 -5.981 1.00 0.00 C ATOM 280 O ASN A 21 -16.673 -4.641 -6.118 1.00 0.00 O ATOM 281 CB ASN A 21 -18.535 -5.846 -3.716 1.00 0.00 C ATOM 282 CG ASN A 21 -18.389 -6.964 -2.701 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.978 -8.034 -2.850 1.00 0.00 O ATOM 284 ND2 ASN A 21 -17.600 -6.719 -1.661 1.00 0.00 N ATOM 0 H ASN A 21 -16.384 -7.046 -4.259 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.964 -6.822 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.919 -5.000 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.569 -5.500 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -17.463 -7.433 -0.945 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.131 -5.817 -1.578 1.00 0.00 H new ATOM 291 N PRO A 22 -18.873 -4.466 -6.570 1.00 0.00 N ATOM 292 CA PRO A 22 -18.739 -3.280 -7.420 1.00 0.00 C ATOM 293 C PRO A 22 -18.359 -2.036 -6.624 1.00 0.00 C ATOM 294 O PRO A 22 -18.235 -0.945 -7.181 1.00 0.00 O ATOM 295 CB PRO A 22 -20.134 -3.120 -8.029 1.00 0.00 C ATOM 296 CG PRO A 22 -21.051 -3.772 -7.052 1.00 0.00 C ATOM 297 CD PRO A 22 -20.273 -4.909 -6.450 1.00 0.00 C ATOM 0 HA PRO A 22 -17.947 -3.397 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.387 -2.069 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.196 -3.595 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.369 -3.067 -6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.953 -4.134 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.552 -5.081 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.446 -5.842 -6.985 1.00 0.00 H new ATOM 305 N ASP A 23 -18.176 -2.207 -5.320 1.00 0.00 N ATOM 306 CA ASP A 23 -17.809 -1.098 -4.447 1.00 0.00 C ATOM 307 C ASP A 23 -16.296 -1.031 -4.260 1.00 0.00 C ATOM 308 O ASP A 23 -15.706 0.049 -4.280 1.00 0.00 O ATOM 309 CB ASP A 23 -18.497 -1.240 -3.089 1.00 0.00 C ATOM 310 CG ASP A 23 -19.949 -1.657 -3.216 1.00 0.00 C ATOM 311 OD1 ASP A 23 -20.205 -2.773 -3.716 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.830 -0.868 -2.815 1.00 0.00 O ATOM 0 H ASP A 23 -18.276 -3.103 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.140 -0.173 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.962 -1.976 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.440 -0.291 -2.555 1.00 0.00 H new ATOM 317 N GLU A 24 -15.676 -2.193 -4.079 1.00 0.00 N ATOM 318 CA GLU A 24 -14.232 -2.265 -3.886 1.00 0.00 C ATOM 319 C GLU A 24 -13.496 -2.069 -5.209 1.00 0.00 C ATOM 320 O GLU A 24 -14.114 -2.008 -6.273 1.00 0.00 O ATOM 321 CB GLU A 24 -13.844 -3.610 -3.269 1.00 0.00 C ATOM 322 CG GLU A 24 -14.401 -3.821 -1.871 1.00 0.00 C ATOM 323 CD GLU A 24 -13.932 -5.121 -1.246 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.705 -5.300 -1.100 1.00 0.00 O ATOM 325 OE2 GLU A 24 -14.792 -5.959 -0.904 1.00 0.00 O ATOM 0 H GLU A 24 -16.150 -3.096 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.942 -1.464 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.197 -4.413 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.757 -3.684 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.102 -2.988 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.490 -3.815 -1.913 1.00 0.00 H new ATOM 332 N LEU A 25 -12.174 -1.970 -5.135 1.00 0.00 N ATOM 333 CA LEU A 25 -11.352 -1.781 -6.325 1.00 0.00 C ATOM 334 C LEU A 25 -10.233 -2.815 -6.384 1.00 0.00 C ATOM 335 O LEU A 25 -9.853 -3.392 -5.366 1.00 0.00 O ATOM 336 CB LEU A 25 -10.761 -0.370 -6.342 1.00 0.00 C ATOM 337 CG LEU A 25 -11.746 0.767 -6.616 1.00 0.00 C ATOM 338 CD1 LEU A 25 -11.144 2.104 -6.210 1.00 0.00 C ATOM 339 CD2 LEU A 25 -12.145 0.784 -8.085 1.00 0.00 C ATOM 0 H LEU A 25 -11.648 -2.017 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.988 -1.912 -7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.283 -0.186 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.977 -0.335 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.642 0.598 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.859 2.901 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.909 2.089 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.232 2.281 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.846 1.599 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.258 0.928 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.617 -0.163 -8.345 1.00 0.00 H new ATOM 351 N ASP A 26 -9.706 -3.041 -7.583 1.00 0.00 N ATOM 352 CA ASP A 26 -8.627 -4.003 -7.775 1.00 0.00 C ATOM 353 C ASP A 26 -7.275 -3.299 -7.829 1.00 0.00 C ATOM 354 O ASP A 26 -7.122 -2.276 -8.500 1.00 0.00 O ATOM 355 CB ASP A 26 -8.851 -4.804 -9.059 1.00 0.00 C ATOM 356 CG ASP A 26 -8.946 -3.917 -10.285 1.00 0.00 C ATOM 357 OD1 ASP A 26 -10.003 -3.280 -10.476 1.00 0.00 O ATOM 358 OD2 ASP A 26 -7.963 -3.860 -11.053 1.00 0.00 O ATOM 0 H ASP A 26 -10.009 -2.571 -8.436 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.627 -4.686 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.033 -5.513 -9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.767 -5.388 -8.965 1.00 0.00 H new ATOM 363 N LEU A 27 -6.297 -3.851 -7.120 1.00 0.00 N ATOM 364 CA LEU A 27 -4.957 -3.275 -7.086 1.00 0.00 C ATOM 365 C LEU A 27 -4.044 -3.962 -8.096 1.00 0.00 C ATOM 366 O LEU A 27 -4.470 -4.859 -8.824 1.00 0.00 O ATOM 367 CB LEU A 27 -4.364 -3.395 -5.681 1.00 0.00 C ATOM 368 CG LEU A 27 -5.223 -2.846 -4.541 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.568 -3.125 -3.197 1.00 0.00 C ATOM 370 CD2 LEU A 27 -5.458 -1.353 -4.722 1.00 0.00 C ATOM 0 H LEU A 27 -6.406 -4.697 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.034 -2.221 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.162 -4.447 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.405 -2.878 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.189 -3.351 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.193 -2.727 -2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.452 -4.201 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.589 -2.647 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.071 -0.979 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.501 -0.832 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.971 -1.177 -5.668 1.00 0.00 H new ATOM 382 N SER A 28 -2.785 -3.537 -8.133 1.00 0.00 N ATOM 383 CA SER A 28 -1.811 -4.110 -9.055 1.00 0.00 C ATOM 384 C SER A 28 -0.414 -3.565 -8.777 1.00 0.00 C ATOM 385 O SER A 28 -0.168 -2.365 -8.899 1.00 0.00 O ATOM 386 CB SER A 28 -2.209 -3.812 -10.501 1.00 0.00 C ATOM 387 OG SER A 28 -1.729 -4.815 -11.380 1.00 0.00 O ATOM 0 H SER A 28 -2.415 -2.798 -7.535 1.00 0.00 H new ATOM 0 HA SER A 28 -1.797 -5.190 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.294 -3.747 -10.577 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.810 -2.842 -10.799 1.00 0.00 H new ATOM 0 HG SER A 28 -1.998 -4.602 -12.298 1.00 0.00 H new ATOM 393 N ALA A 29 0.499 -4.456 -8.402 1.00 0.00 N ATOM 394 CA ALA A 29 1.872 -4.065 -8.109 1.00 0.00 C ATOM 395 C ALA A 29 2.396 -3.079 -9.147 1.00 0.00 C ATOM 396 O ALA A 29 2.541 -3.416 -10.321 1.00 0.00 O ATOM 397 CB ALA A 29 2.768 -5.294 -8.046 1.00 0.00 C ATOM 0 H ALA A 29 0.312 -5.453 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 29 1.883 -3.570 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.791 -4.988 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.413 -5.963 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.742 -5.812 -9.004 1.00 0.00 H new ATOM 403 N GLY A 30 2.677 -1.856 -8.706 1.00 0.00 N ATOM 404 CA GLY A 30 3.181 -0.839 -9.610 1.00 0.00 C ATOM 405 C GLY A 30 2.282 0.380 -9.670 1.00 0.00 C ATOM 406 O GLY A 30 2.760 1.505 -9.819 1.00 0.00 O ATOM 0 H GLY A 30 2.564 -1.552 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.178 -0.536 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.281 -1.263 -10.609 1.00 0.00 H new ATOM 410 N ASP A 31 0.978 0.157 -9.556 1.00 0.00 N ATOM 411 CA ASP A 31 0.009 1.247 -9.598 1.00 0.00 C ATOM 412 C ASP A 31 0.205 2.194 -8.418 1.00 0.00 C ATOM 413 O ASP A 31 0.356 1.756 -7.277 1.00 0.00 O ATOM 414 CB ASP A 31 -1.416 0.691 -9.592 1.00 0.00 C ATOM 415 CG ASP A 31 -1.914 0.360 -10.985 1.00 0.00 C ATOM 416 OD1 ASP A 31 -1.797 1.224 -11.879 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.419 -0.765 -11.182 1.00 0.00 O ATOM 0 H ASP A 31 0.567 -0.768 -9.434 1.00 0.00 H new ATOM 0 HA ASP A 31 0.168 1.807 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.450 -0.206 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.085 1.419 -9.134 1.00 0.00 H new ATOM 422 N ILE A 32 0.202 3.492 -8.702 1.00 0.00 N ATOM 423 CA ILE A 32 0.379 4.500 -7.664 1.00 0.00 C ATOM 424 C ILE A 32 -0.966 5.029 -7.176 1.00 0.00 C ATOM 425 O ILE A 32 -1.625 5.809 -7.864 1.00 0.00 O ATOM 426 CB ILE A 32 1.231 5.681 -8.166 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.625 5.197 -8.568 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.326 6.758 -7.095 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.146 4.070 -7.705 1.00 0.00 C ATOM 0 H ILE A 32 0.079 3.870 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 32 0.897 4.014 -6.837 1.00 0.00 H new ATOM 0 HB ILE A 32 0.749 6.111 -9.044 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.601 4.867 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.320 6.035 -8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.931 7.586 -7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.327 7.119 -6.852 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.789 6.341 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.139 3.778 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.203 4.402 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.472 3.216 -7.776 1.00 0.00 H new ATOM 441 N LEU A 33 -1.367 4.600 -5.985 1.00 0.00 N ATOM 442 CA LEU A 33 -2.633 5.032 -5.402 1.00 0.00 C ATOM 443 C LEU A 33 -2.399 5.990 -4.239 1.00 0.00 C ATOM 444 O LEU A 33 -1.381 5.910 -3.552 1.00 0.00 O ATOM 445 CB LEU A 33 -3.437 3.821 -4.927 1.00 0.00 C ATOM 446 CG LEU A 33 -3.527 2.648 -5.905 1.00 0.00 C ATOM 447 CD1 LEU A 33 -3.712 1.339 -5.153 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.664 2.864 -6.893 1.00 0.00 C ATOM 0 H LEU A 33 -0.834 3.953 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.199 5.557 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.997 3.460 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.449 4.151 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.593 2.593 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.774 0.516 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.864 1.179 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.630 1.382 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.713 2.020 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.606 2.946 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.488 3.781 -7.455 1.00 0.00 H new ATOM 460 N GLU A 34 -3.350 6.894 -4.022 1.00 0.00 N ATOM 461 CA GLU A 34 -3.246 7.866 -2.941 1.00 0.00 C ATOM 462 C GLU A 34 -4.080 7.432 -1.738 1.00 0.00 C ATOM 463 O GLU A 34 -5.299 7.288 -1.833 1.00 0.00 O ATOM 464 CB GLU A 34 -3.702 9.246 -3.420 1.00 0.00 C ATOM 465 CG GLU A 34 -3.325 10.374 -2.475 1.00 0.00 C ATOM 466 CD GLU A 34 -3.620 10.043 -1.024 1.00 0.00 C ATOM 467 OE1 GLU A 34 -4.782 9.707 -0.717 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.688 10.121 -0.197 1.00 0.00 O ATOM 0 H GLU A 34 -4.200 6.973 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.201 7.922 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.267 9.443 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.784 9.237 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.263 10.595 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.869 11.276 -2.756 1.00 0.00 H new ATOM 475 N VAL A 35 -3.413 7.225 -0.607 1.00 0.00 N ATOM 476 CA VAL A 35 -4.090 6.808 0.615 1.00 0.00 C ATOM 477 C VAL A 35 -4.903 7.952 1.210 1.00 0.00 C ATOM 478 O VAL A 35 -4.362 8.821 1.894 1.00 0.00 O ATOM 479 CB VAL A 35 -3.087 6.303 1.669 1.00 0.00 C ATOM 480 CG1 VAL A 35 -3.810 5.902 2.946 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.277 5.139 1.118 1.00 0.00 C ATOM 0 H VAL A 35 -2.404 7.339 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.760 5.993 0.343 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.399 7.114 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.085 5.548 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.342 6.764 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.522 5.106 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.573 4.795 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.948 4.324 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.728 5.464 0.234 1.00 0.00 H new ATOM 491 N ILE A 36 -6.205 7.945 0.946 1.00 0.00 N ATOM 492 CA ILE A 36 -7.093 8.982 1.457 1.00 0.00 C ATOM 493 C ILE A 36 -7.238 8.884 2.972 1.00 0.00 C ATOM 494 O ILE A 36 -7.351 9.897 3.663 1.00 0.00 O ATOM 495 CB ILE A 36 -8.489 8.895 0.813 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.376 8.964 -0.712 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.383 10.010 1.334 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.907 10.308 -1.222 1.00 0.00 C ATOM 0 H ILE A 36 -6.668 7.233 0.381 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.641 9.940 1.198 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.939 7.939 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.684 8.194 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.347 8.737 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.366 9.935 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.485 9.919 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.940 10.976 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.850 10.285 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.611 11.081 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.922 10.529 -0.812 1.00 0.00 H new ATOM 510 N LEU A 37 -7.233 7.657 3.483 1.00 0.00 N ATOM 511 CA LEU A 37 -7.361 7.426 4.918 1.00 0.00 C ATOM 512 C LEU A 37 -6.857 6.036 5.292 1.00 0.00 C ATOM 513 O LEU A 37 -7.171 5.051 4.625 1.00 0.00 O ATOM 514 CB LEU A 37 -8.820 7.585 5.351 1.00 0.00 C ATOM 515 CG LEU A 37 -9.046 7.985 6.810 1.00 0.00 C ATOM 516 CD1 LEU A 37 -10.477 8.458 7.017 1.00 0.00 C ATOM 517 CD2 LEU A 37 -8.727 6.822 7.737 1.00 0.00 C ATOM 0 H LEU A 37 -7.142 6.808 2.925 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.751 8.166 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.288 8.334 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.337 6.643 5.169 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.374 8.809 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.620 8.739 8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.671 9.321 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.167 7.654 6.760 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.893 7.125 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.374 5.978 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.685 6.529 7.608 1.00 0.00 H new ATOM 529 N GLU A 38 -6.075 5.965 6.365 1.00 0.00 N ATOM 530 CA GLU A 38 -5.529 4.694 6.828 1.00 0.00 C ATOM 531 C GLU A 38 -6.539 3.953 7.700 1.00 0.00 C ATOM 532 O GLU A 38 -6.872 4.397 8.798 1.00 0.00 O ATOM 533 CB GLU A 38 -4.236 4.926 7.612 1.00 0.00 C ATOM 534 CG GLU A 38 -3.059 5.330 6.740 1.00 0.00 C ATOM 535 CD GLU A 38 -2.948 6.833 6.569 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.148 7.560 7.565 1.00 0.00 O ATOM 537 OE2 GLU A 38 -2.661 7.281 5.440 1.00 0.00 O ATOM 0 H GLU A 38 -5.806 6.771 6.929 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.311 4.081 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.408 5.702 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.981 4.015 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.138 4.949 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.160 4.863 5.760 1.00 0.00 H new ATOM 544 N GLY A 39 -7.025 2.821 7.200 1.00 0.00 N ATOM 545 CA GLY A 39 -7.992 2.036 7.944 1.00 0.00 C ATOM 546 C GLY A 39 -7.357 1.254 9.076 1.00 0.00 C ATOM 547 O GLY A 39 -6.221 0.795 8.960 1.00 0.00 O ATOM 0 H GLY A 39 -6.766 2.434 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.758 2.698 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.493 1.345 7.266 1.00 0.00 H new ATOM 551 N GLU A 40 -8.090 1.103 10.174 1.00 0.00 N ATOM 552 CA GLU A 40 -7.589 0.373 11.333 1.00 0.00 C ATOM 553 C GLU A 40 -7.878 -1.120 11.201 1.00 0.00 C ATOM 554 O GLU A 40 -7.210 -1.949 11.820 1.00 0.00 O ATOM 555 CB GLU A 40 -8.221 0.914 12.617 1.00 0.00 C ATOM 556 CG GLU A 40 -7.580 0.374 13.885 1.00 0.00 C ATOM 557 CD GLU A 40 -8.534 0.367 15.063 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.607 -0.262 14.954 1.00 0.00 O ATOM 559 OE2 GLU A 40 -8.207 0.990 16.095 1.00 0.00 O ATOM 0 H GLU A 40 -9.033 1.476 10.286 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.509 0.515 11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.148 2.002 12.618 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.282 0.666 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.224 -0.640 13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.707 0.979 14.132 1.00 0.00 H new ATOM 566 N ASP A 41 -8.877 -1.454 10.393 1.00 0.00 N ATOM 567 CA ASP A 41 -9.255 -2.847 10.179 1.00 0.00 C ATOM 568 C ASP A 41 -8.551 -3.418 8.952 1.00 0.00 C ATOM 569 O ASP A 41 -8.992 -4.413 8.378 1.00 0.00 O ATOM 570 CB ASP A 41 -10.771 -2.967 10.014 1.00 0.00 C ATOM 571 CG ASP A 41 -11.520 -2.615 11.285 1.00 0.00 C ATOM 572 OD1 ASP A 41 -11.222 -3.220 12.336 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.406 -1.737 11.227 1.00 0.00 O ATOM 0 H ASP A 41 -9.440 -0.780 9.875 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.946 -3.420 11.053 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.099 -2.310 9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.022 -3.985 9.718 1.00 0.00 H new ATOM 578 N GLY A 42 -7.453 -2.781 8.555 1.00 0.00 N ATOM 579 CA GLY A 42 -6.707 -3.240 7.398 1.00 0.00 C ATOM 580 C GLY A 42 -7.224 -2.648 6.102 1.00 0.00 C ATOM 581 O GLY A 42 -6.449 -2.369 5.187 1.00 0.00 O ATOM 0 H GLY A 42 -7.067 -1.956 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.656 -2.978 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.760 -4.327 7.344 1.00 0.00 H new ATOM 585 N TRP A 43 -8.536 -2.456 6.023 1.00 0.00 N ATOM 586 CA TRP A 43 -9.155 -1.894 4.828 1.00 0.00 C ATOM 587 C TRP A 43 -8.802 -0.419 4.674 1.00 0.00 C ATOM 588 O TRP A 43 -9.381 0.440 5.340 1.00 0.00 O ATOM 589 CB TRP A 43 -10.674 -2.064 4.889 1.00 0.00 C ATOM 590 CG TRP A 43 -11.115 -3.496 4.827 1.00 0.00 C ATOM 591 CD1 TRP A 43 -11.561 -4.261 5.867 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.149 -4.332 3.666 1.00 0.00 C ATOM 593 NE1 TRP A 43 -11.870 -5.524 5.422 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.628 -5.593 4.075 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.825 -4.140 2.321 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.787 -6.652 3.187 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.984 -5.192 1.440 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.462 -6.435 1.875 1.00 0.00 C ATOM 0 H TRP A 43 -9.191 -2.681 6.772 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.770 -2.432 3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.046 -1.616 5.811 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.127 -1.516 4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -11.657 -3.923 6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.222 -6.287 6.001 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.456 -3.185 1.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.154 -7.611 3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.736 -5.054 0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.576 -7.238 1.161 1.00 0.00 H new ATOM 609 N TRP A 44 -7.851 -0.132 3.793 1.00 0.00 N ATOM 610 CA TRP A 44 -7.422 1.241 3.552 1.00 0.00 C ATOM 611 C TRP A 44 -8.176 1.848 2.375 1.00 0.00 C ATOM 612 O TRP A 44 -8.477 1.164 1.396 1.00 0.00 O ATOM 613 CB TRP A 44 -5.916 1.287 3.287 1.00 0.00 C ATOM 614 CG TRP A 44 -5.090 1.186 4.534 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.381 0.460 5.653 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.840 1.836 4.788 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.386 0.618 6.588 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.429 1.457 6.081 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.027 2.699 4.049 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.242 1.914 6.649 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.849 3.152 4.614 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.466 2.758 5.903 1.00 0.00 C ATOM 0 H TRP A 44 -7.362 -0.831 3.234 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.645 1.827 4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.648 0.472 2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.673 2.217 2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.263 -0.149 5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.364 0.181 7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.313 3.007 3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.945 1.613 7.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.214 3.821 4.052 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.539 3.128 6.316 1.00 0.00 H new ATOM 633 N THR A 45 -8.481 3.139 2.474 1.00 0.00 N ATOM 634 CA THR A 45 -9.201 3.838 1.418 1.00 0.00 C ATOM 635 C THR A 45 -8.239 4.554 0.477 1.00 0.00 C ATOM 636 O THR A 45 -7.574 5.514 0.866 1.00 0.00 O ATOM 637 CB THR A 45 -10.192 4.864 1.998 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.992 4.252 3.016 1.00 0.00 O ATOM 639 CG2 THR A 45 -11.092 5.424 0.907 1.00 0.00 C ATOM 0 H THR A 45 -8.240 3.721 3.276 1.00 0.00 H new ATOM 0 HA THR A 45 -9.755 3.083 0.861 1.00 0.00 H new ATOM 0 HB THR A 45 -9.619 5.684 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.712 3.735 2.599 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.783 6.146 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.482 5.915 0.149 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.656 4.612 0.448 1.00 0.00 H new ATOM 647 N VAL A 46 -8.170 4.081 -0.763 1.00 0.00 N ATOM 648 CA VAL A 46 -7.290 4.677 -1.761 1.00 0.00 C ATOM 649 C VAL A 46 -8.084 5.199 -2.953 1.00 0.00 C ATOM 650 O VAL A 46 -9.278 4.929 -3.081 1.00 0.00 O ATOM 651 CB VAL A 46 -6.240 3.666 -2.260 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.416 3.134 -1.098 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.914 2.527 -3.012 1.00 0.00 C ATOM 0 H VAL A 46 -8.713 3.286 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.780 5.509 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.566 4.177 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.680 2.421 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.904 3.961 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.073 2.638 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.158 1.822 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.611 2.015 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.456 2.927 -3.869 1.00 0.00 H new ATOM 663 N GLU A 47 -7.413 5.947 -3.823 1.00 0.00 N ATOM 664 CA GLU A 47 -8.057 6.507 -5.005 1.00 0.00 C ATOM 665 C GLU A 47 -7.535 5.843 -6.276 1.00 0.00 C ATOM 666 O GLU A 47 -6.326 5.743 -6.485 1.00 0.00 O ATOM 667 CB GLU A 47 -7.824 8.018 -5.073 1.00 0.00 C ATOM 668 CG GLU A 47 -8.652 8.714 -6.140 1.00 0.00 C ATOM 669 CD GLU A 47 -8.387 10.206 -6.203 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.296 10.596 -6.671 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.270 10.983 -5.785 1.00 0.00 O ATOM 0 H GLU A 47 -6.424 6.179 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.127 6.315 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.055 8.457 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.768 8.206 -5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.435 8.269 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.710 8.545 -5.941 1.00 0.00 H new ATOM 678 N ARG A 48 -8.455 5.389 -7.121 1.00 0.00 N ATOM 679 CA ARG A 48 -8.088 4.733 -8.370 1.00 0.00 C ATOM 680 C ARG A 48 -8.951 5.237 -9.523 1.00 0.00 C ATOM 681 O ARG A 48 -10.179 5.195 -9.456 1.00 0.00 O ATOM 682 CB ARG A 48 -8.233 3.216 -8.235 1.00 0.00 C ATOM 683 CG ARG A 48 -7.897 2.456 -9.508 1.00 0.00 C ATOM 684 CD ARG A 48 -6.418 2.107 -9.574 1.00 0.00 C ATOM 685 NE ARG A 48 -5.934 2.033 -10.950 1.00 0.00 N ATOM 686 CZ ARG A 48 -5.544 3.092 -11.649 1.00 0.00 C ATOM 687 NH1 ARG A 48 -5.579 4.301 -11.104 1.00 0.00 N ATOM 688 NH2 ARG A 48 -5.115 2.944 -12.896 1.00 0.00 N ATOM 0 H ARG A 48 -9.460 5.464 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.047 4.974 -8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.584 2.868 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.256 2.982 -7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.490 1.543 -9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.169 3.058 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.844 2.856 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.249 1.151 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.893 1.118 -11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.906 4.419 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.279 5.113 -11.644 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.085 2.016 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.816 3.758 -13.432 1.00 0.00 H new ATOM 702 N ASN A 49 -8.299 5.714 -10.578 1.00 0.00 N ATOM 703 CA ASN A 49 -9.007 6.227 -11.745 1.00 0.00 C ATOM 704 C ASN A 49 -10.061 7.252 -11.336 1.00 0.00 C ATOM 705 O ASN A 49 -11.121 7.348 -11.952 1.00 0.00 O ATOM 706 CB ASN A 49 -9.667 5.080 -12.513 1.00 0.00 C ATOM 707 CG ASN A 49 -8.695 4.366 -13.433 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.575 3.141 -13.397 1.00 0.00 O ATOM 709 ND2 ASN A 49 -7.995 5.131 -14.263 1.00 0.00 N ATOM 0 H ASN A 49 -7.282 5.756 -10.649 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.280 6.718 -12.392 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.085 4.365 -11.804 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.499 5.470 -13.100 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.325 4.707 -14.905 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.127 6.142 -14.258 1.00 0.00 H new ATOM 716 N GLY A 50 -9.760 8.016 -10.290 1.00 0.00 N ATOM 717 CA GLY A 50 -10.691 9.024 -9.816 1.00 0.00 C ATOM 718 C GLY A 50 -11.861 8.423 -9.062 1.00 0.00 C ATOM 719 O GLY A 50 -12.928 9.030 -8.975 1.00 0.00 O ATOM 0 H GLY A 50 -8.889 7.955 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.165 9.724 -9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.065 9.597 -10.665 1.00 0.00 H new ATOM 723 N GLN A 51 -11.661 7.227 -8.517 1.00 0.00 N ATOM 724 CA GLN A 51 -12.709 6.544 -7.768 1.00 0.00 C ATOM 725 C GLN A 51 -12.228 6.177 -6.369 1.00 0.00 C ATOM 726 O GLN A 51 -11.039 6.277 -6.064 1.00 0.00 O ATOM 727 CB GLN A 51 -13.159 5.286 -8.513 1.00 0.00 C ATOM 728 CG GLN A 51 -13.793 5.572 -9.864 1.00 0.00 C ATOM 729 CD GLN A 51 -14.608 4.404 -10.385 1.00 0.00 C ATOM 730 OE1 GLN A 51 -14.956 3.491 -9.635 1.00 0.00 O ATOM 731 NE2 GLN A 51 -14.916 4.427 -11.676 1.00 0.00 N ATOM 0 H GLN A 51 -10.783 6.711 -8.580 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.556 7.224 -7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.299 4.632 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.873 4.743 -7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.434 6.450 -9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.011 5.815 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.607 5.204 -12.260 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.462 3.668 -12.084 1.00 0.00 H new ATOM 740 N ARG A 52 -13.159 5.754 -5.520 1.00 0.00 N ATOM 741 CA ARG A 52 -12.830 5.373 -4.152 1.00 0.00 C ATOM 742 C ARG A 52 -13.276 3.943 -3.863 1.00 0.00 C ATOM 743 O ARG A 52 -14.422 3.575 -4.121 1.00 0.00 O ATOM 744 CB ARG A 52 -13.488 6.334 -3.161 1.00 0.00 C ATOM 745 CG ARG A 52 -12.708 6.504 -1.867 1.00 0.00 C ATOM 746 CD ARG A 52 -13.532 7.221 -0.809 1.00 0.00 C ATOM 747 NE ARG A 52 -13.466 8.673 -0.955 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.313 9.510 -0.367 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.286 9.041 0.403 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.188 10.818 -0.547 1.00 0.00 N ATOM 0 H ARG A 52 -14.148 5.667 -5.756 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.747 5.427 -4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.604 7.308 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.489 5.972 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.405 5.526 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.796 7.067 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.570 6.897 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.174 6.940 0.181 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.729 9.066 -1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.385 8.036 0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.935 9.686 0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.441 11.182 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.839 11.460 -0.095 1.00 0.00 H new ATOM 764 N GLY A 53 -12.362 3.140 -3.326 1.00 0.00 N ATOM 765 CA GLY A 53 -12.680 1.760 -3.011 1.00 0.00 C ATOM 766 C GLY A 53 -12.071 1.309 -1.699 1.00 0.00 C ATOM 767 O GLY A 53 -11.479 2.109 -0.973 1.00 0.00 O ATOM 0 H GLY A 53 -11.407 3.421 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.763 1.641 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.323 1.116 -3.814 1.00 0.00 H new ATOM 771 N PHE A 54 -12.216 0.024 -1.391 1.00 0.00 N ATOM 772 CA PHE A 54 -11.677 -0.532 -0.156 1.00 0.00 C ATOM 773 C PHE A 54 -10.738 -1.698 -0.448 1.00 0.00 C ATOM 774 O PHE A 54 -11.129 -2.683 -1.074 1.00 0.00 O ATOM 775 CB PHE A 54 -12.813 -0.994 0.759 1.00 0.00 C ATOM 776 CG PHE A 54 -13.655 0.133 1.286 1.00 0.00 C ATOM 777 CD1 PHE A 54 -13.099 1.110 2.096 1.00 0.00 C ATOM 778 CD2 PHE A 54 -15.001 0.215 0.970 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.872 2.147 2.583 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.779 1.251 1.453 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.213 2.219 2.260 1.00 0.00 C ATOM 0 H PHE A 54 -12.703 -0.652 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.110 0.251 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.451 -1.688 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.391 -1.545 1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.050 1.061 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.448 -0.539 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.428 2.901 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.828 1.303 1.200 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.818 3.030 2.637 1.00 0.00 H new ATOM 791 N VAL A 55 -9.495 -1.579 0.010 1.00 0.00 N ATOM 792 CA VAL A 55 -8.499 -2.623 -0.202 1.00 0.00 C ATOM 793 C VAL A 55 -7.646 -2.829 1.045 1.00 0.00 C ATOM 794 O VAL A 55 -7.415 -1.908 1.828 1.00 0.00 O ATOM 795 CB VAL A 55 -7.579 -2.288 -1.391 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.400 -2.025 -2.644 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.696 -1.094 -1.061 1.00 0.00 C ATOM 0 H VAL A 55 -9.154 -0.770 0.530 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.044 -3.541 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.934 -3.146 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.733 -1.790 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.985 -2.912 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.072 -1.184 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.052 -0.871 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.321 -0.228 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.081 -1.326 -0.192 1.00 0.00 H new ATOM 807 N PRO A 56 -7.165 -4.067 1.235 1.00 0.00 N ATOM 808 CA PRO A 56 -6.329 -4.423 2.384 1.00 0.00 C ATOM 809 C PRO A 56 -4.943 -3.790 2.312 1.00 0.00 C ATOM 810 O PRO A 56 -4.284 -3.835 1.274 1.00 0.00 O ATOM 811 CB PRO A 56 -6.226 -5.947 2.289 1.00 0.00 C ATOM 812 CG PRO A 56 -6.438 -6.252 0.847 1.00 0.00 C ATOM 813 CD PRO A 56 -7.401 -5.213 0.341 1.00 0.00 C ATOM 0 HA PRO A 56 -6.755 -4.068 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.252 -6.300 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.977 -6.434 2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.497 -6.213 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.842 -7.256 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.206 -4.957 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.433 -5.560 0.396 1.00 0.00 H new ATOM 821 N GLY A 57 -4.507 -3.201 3.421 1.00 0.00 N ATOM 822 CA GLY A 57 -3.202 -2.568 3.461 1.00 0.00 C ATOM 823 C GLY A 57 -2.082 -3.526 3.110 1.00 0.00 C ATOM 824 O GLY A 57 -1.152 -3.167 2.387 1.00 0.00 O ATOM 0 H GLY A 57 -5.034 -3.151 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.188 -1.728 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.029 -2.161 4.457 1.00 0.00 H new ATOM 828 N SER A 58 -2.168 -4.749 3.623 1.00 0.00 N ATOM 829 CA SER A 58 -1.150 -5.761 3.364 1.00 0.00 C ATOM 830 C SER A 58 -0.716 -5.732 1.902 1.00 0.00 C ATOM 831 O SER A 58 0.394 -6.145 1.564 1.00 0.00 O ATOM 832 CB SER A 58 -1.680 -7.151 3.723 1.00 0.00 C ATOM 833 OG SER A 58 -1.706 -7.339 5.128 1.00 0.00 O ATOM 0 H SER A 58 -2.932 -5.063 4.221 1.00 0.00 H new ATOM 0 HA SER A 58 -0.284 -5.538 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.684 -7.277 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.052 -7.913 3.262 1.00 0.00 H new ATOM 0 HG SER A 58 -2.050 -8.234 5.332 1.00 0.00 H new ATOM 839 N TYR A 59 -1.599 -5.242 1.039 1.00 0.00 N ATOM 840 CA TYR A 59 -1.309 -5.161 -0.388 1.00 0.00 C ATOM 841 C TYR A 59 -0.912 -3.741 -0.783 1.00 0.00 C ATOM 842 O TYR A 59 -1.224 -3.280 -1.882 1.00 0.00 O ATOM 843 CB TYR A 59 -2.524 -5.608 -1.203 1.00 0.00 C ATOM 844 CG TYR A 59 -2.800 -7.092 -1.111 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.079 -7.693 0.110 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.784 -7.892 -2.247 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.331 -9.048 0.197 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.037 -9.248 -2.169 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.309 -9.822 -0.945 1.00 0.00 C ATOM 850 OH TYR A 59 -3.562 -11.172 -0.861 1.00 0.00 O ATOM 0 H TYR A 59 -2.521 -4.895 1.302 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.472 -5.826 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.402 -5.061 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.369 -5.339 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.099 -7.091 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.570 -7.446 -3.207 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.544 -9.500 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.022 -9.855 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.509 -11.571 -1.755 1.00 0.00 H new ATOM 860 N LEU A 60 -0.222 -3.054 0.120 1.00 0.00 N ATOM 861 CA LEU A 60 0.219 -1.687 -0.133 1.00 0.00 C ATOM 862 C LEU A 60 1.642 -1.471 0.373 1.00 0.00 C ATOM 863 O LEU A 60 2.034 -2.020 1.402 1.00 0.00 O ATOM 864 CB LEU A 60 -0.729 -0.691 0.538 1.00 0.00 C ATOM 865 CG LEU A 60 -2.140 -0.612 -0.044 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.030 0.260 0.829 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.100 -0.077 -1.468 1.00 0.00 C ATOM 0 H LEU A 60 0.044 -3.421 1.034 1.00 0.00 H new ATOM 0 HA LEU A 60 0.207 -1.522 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.807 -0.949 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.279 0.301 0.485 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.560 -1.618 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.031 0.304 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.085 -0.165 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.613 1.266 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.113 -0.027 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.660 0.920 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.498 -0.740 -2.089 1.00 0.00 H new ATOM 879 N GLU A 61 2.409 -0.667 -0.357 1.00 0.00 N ATOM 880 CA GLU A 61 3.788 -0.379 0.019 1.00 0.00 C ATOM 881 C GLU A 61 4.016 1.125 0.138 1.00 0.00 C ATOM 882 O GLU A 61 3.618 1.897 -0.735 1.00 0.00 O ATOM 883 CB GLU A 61 4.755 -0.973 -1.007 1.00 0.00 C ATOM 884 CG GLU A 61 6.219 -0.768 -0.654 1.00 0.00 C ATOM 885 CD GLU A 61 7.154 -1.500 -1.596 1.00 0.00 C ATOM 886 OE1 GLU A 61 7.014 -1.329 -2.825 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.027 -2.245 -1.103 1.00 0.00 O ATOM 0 H GLU A 61 2.099 -0.204 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 61 3.976 -0.836 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.559 -2.041 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.559 -0.525 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.448 0.297 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.395 -1.111 0.366 1.00 0.00 H new ATOM 894 N LYS A 62 4.660 1.536 1.226 1.00 0.00 N ATOM 895 CA LYS A 62 4.943 2.947 1.461 1.00 0.00 C ATOM 896 C LYS A 62 6.152 3.402 0.651 1.00 0.00 C ATOM 897 O LYS A 62 7.285 3.014 0.936 1.00 0.00 O ATOM 898 CB LYS A 62 5.191 3.197 2.951 1.00 0.00 C ATOM 899 CG LYS A 62 5.636 4.614 3.264 1.00 0.00 C ATOM 900 CD LYS A 62 6.302 4.702 4.627 1.00 0.00 C ATOM 901 CE LYS A 62 6.134 6.083 5.242 1.00 0.00 C ATOM 902 NZ LYS A 62 6.821 7.134 4.442 1.00 0.00 N ATOM 0 H LYS A 62 4.996 0.911 1.959 1.00 0.00 H new ATOM 0 HA LYS A 62 4.075 3.524 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.277 2.982 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.950 2.500 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.330 4.956 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.775 5.281 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.873 3.952 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.363 4.472 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.073 6.320 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.533 6.080 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.712 8.055 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.832 6.904 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.400 7.178 3.492 1.00 0.00 H new ATOM 916 N LEU A 63 5.904 4.227 -0.360 1.00 0.00 N ATOM 917 CA LEU A 63 6.973 4.736 -1.212 1.00 0.00 C ATOM 918 C LEU A 63 7.779 5.811 -0.490 1.00 0.00 C ATOM 919 O LEU A 63 7.245 6.853 -0.112 1.00 0.00 O ATOM 920 CB LEU A 63 6.392 5.304 -2.509 1.00 0.00 C ATOM 921 CG LEU A 63 5.822 4.282 -3.493 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.064 4.982 -4.610 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.934 3.414 -4.064 1.00 0.00 C ATOM 0 H LEU A 63 4.972 4.558 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 63 7.639 3.907 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.603 6.010 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.173 5.870 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 63 5.125 3.639 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.666 4.239 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.243 5.560 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.739 5.649 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.510 2.692 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.655 4.043 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.434 2.884 -3.254 1.00 0.00 H new