USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 521 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 69 ASN : amide:sc= -1! C(o=-1!,f=-1.2!) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 142:sc= -0.465 (180deg=-3.44!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.639 K(o=-0.64,f=-5.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.253 USER MOD Single : A 68 MET CE :methyl -126:sc= -2.86! (180deg=-3.47!) USER MOD Single : A 71 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.36) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.419 8.491 1.404 1.00 0.00 N ATOM 60 CA GLY A 7 -0.645 7.301 1.706 1.00 0.00 C ATOM 61 C GLY A 7 -1.150 6.579 2.940 1.00 0.00 C ATOM 62 O GLY A 7 -1.791 7.182 3.801 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.679 6.623 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.399 7.578 1.852 1.00 0.00 H new ATOM 66 N ILE A 8 -0.863 5.285 3.025 1.00 0.00 N ATOM 67 CA ILE A 8 -1.293 4.481 4.163 1.00 0.00 C ATOM 68 C ILE A 8 -0.096 3.921 4.924 1.00 0.00 C ATOM 69 O ILE A 8 0.911 3.540 4.326 1.00 0.00 O ATOM 70 CB ILE A 8 -2.196 3.315 3.718 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.460 2.426 2.713 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.488 3.846 3.117 1.00 0.00 C ATOM 73 CD1 ILE A 8 -2.018 1.023 2.626 1.00 0.00 C ATOM 0 H ILE A 8 -0.335 4.771 2.320 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.861 5.140 4.819 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.445 2.713 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.508 2.889 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.407 2.373 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.116 3.010 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.018 4.441 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.258 4.467 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.448 0.450 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.945 0.541 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.063 1.065 2.319 1.00 0.00 H new ATOM 85 N PHE A 9 -0.213 3.872 6.247 1.00 0.00 N ATOM 86 CA PHE A 9 0.858 3.357 7.091 1.00 0.00 C ATOM 87 C PHE A 9 0.577 1.917 7.509 1.00 0.00 C ATOM 88 O PHE A 9 -0.547 1.574 7.875 1.00 0.00 O ATOM 89 CB PHE A 9 1.026 4.237 8.332 1.00 0.00 C ATOM 90 CG PHE A 9 1.752 3.555 9.456 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.094 3.234 9.339 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.090 3.233 10.630 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.765 2.607 10.372 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.755 2.606 11.667 1.00 0.00 C ATOM 95 CZ PHE A 9 3.094 2.292 11.537 1.00 0.00 C ATOM 0 H PHE A 9 -1.039 4.183 6.758 1.00 0.00 H new ATOM 0 HA PHE A 9 1.782 3.375 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.568 5.141 8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.042 4.549 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.623 3.477 8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.043 3.475 10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.812 2.364 10.268 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.228 2.362 12.578 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.615 1.801 12.345 1.00 0.00 H new ATOM 105 N ILE A 10 1.607 1.078 7.451 1.00 0.00 N ATOM 106 CA ILE A 10 1.471 -0.324 7.824 1.00 0.00 C ATOM 107 C ILE A 10 2.556 -0.737 8.813 1.00 0.00 C ATOM 108 O ILE A 10 3.721 -0.374 8.661 1.00 0.00 O ATOM 109 CB ILE A 10 1.541 -1.244 6.590 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.515 -0.806 5.542 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.308 -2.692 6.995 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.935 -1.110 4.121 1.00 0.00 C ATOM 0 H ILE A 10 2.544 1.345 7.149 1.00 0.00 H new ATOM 0 HA ILE A 10 0.493 -0.432 8.294 1.00 0.00 H new ATOM 0 HB ILE A 10 2.536 -1.166 6.152 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.434 -1.301 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.343 0.266 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.360 -3.330 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.072 -2.998 7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.324 -2.788 7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.160 -0.772 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.868 -0.593 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.079 -2.184 4.006 1.00 0.00 H new ATOM 124 N GLY A 11 2.163 -1.501 9.828 1.00 0.00 N ATOM 125 CA GLY A 11 3.114 -1.953 10.827 1.00 0.00 C ATOM 126 C GLY A 11 2.996 -3.438 11.110 1.00 0.00 C ATOM 127 O GLY A 11 1.939 -4.033 10.906 1.00 0.00 O ATOM 0 H GLY A 11 1.204 -1.815 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.126 -1.730 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.958 -1.397 11.751 1.00 0.00 H new ATOM 131 N ASN A 12 4.086 -4.038 11.578 1.00 0.00 N ATOM 132 CA ASN A 12 4.101 -5.463 11.887 1.00 0.00 C ATOM 133 C ASN A 12 4.122 -6.296 10.609 1.00 0.00 C ATOM 134 O ASN A 12 3.268 -7.160 10.404 1.00 0.00 O ATOM 135 CB ASN A 12 2.881 -5.836 12.732 1.00 0.00 C ATOM 136 CG ASN A 12 3.143 -7.029 13.631 1.00 0.00 C ATOM 137 OD1 ASN A 12 3.600 -6.878 14.764 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.855 -8.223 13.127 1.00 0.00 N ATOM 0 H ASN A 12 4.970 -3.559 11.751 1.00 0.00 H new ATOM 0 HA ASN A 12 5.007 -5.677 12.454 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.590 -4.981 13.343 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.041 -6.058 12.074 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.011 -9.063 13.684 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.478 -8.300 12.183 1.00 0.00 H new ATOM 145 N LEU A 13 5.102 -6.031 9.753 1.00 0.00 N ATOM 146 CA LEU A 13 5.236 -6.756 8.494 1.00 0.00 C ATOM 147 C LEU A 13 6.320 -7.825 8.594 1.00 0.00 C ATOM 148 O LEU A 13 7.468 -7.529 8.926 1.00 0.00 O ATOM 149 CB LEU A 13 5.562 -5.787 7.357 1.00 0.00 C ATOM 150 CG LEU A 13 4.367 -5.097 6.700 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.823 -3.886 5.899 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.610 -6.072 5.810 1.00 0.00 C ATOM 0 H LEU A 13 5.816 -5.319 9.907 1.00 0.00 H new ATOM 0 HA LEU A 13 4.286 -7.247 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.233 -5.019 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.109 -6.332 6.588 1.00 0.00 H new ATOM 0 HG LEU A 13 3.693 -4.755 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.958 -3.408 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.320 -3.177 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.518 -4.204 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.763 -5.563 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.275 -6.445 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.250 -6.908 6.410 1.00 0.00 H new ATOM 164 N ASP A 14 5.948 -9.066 8.303 1.00 0.00 N ATOM 165 CA ASP A 14 6.889 -10.179 8.357 1.00 0.00 C ATOM 166 C ASP A 14 8.171 -9.844 7.601 1.00 0.00 C ATOM 167 O ASP A 14 8.149 -9.221 6.539 1.00 0.00 O ATOM 168 CB ASP A 14 6.253 -11.442 7.773 1.00 0.00 C ATOM 169 CG ASP A 14 6.897 -12.710 8.298 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.511 -13.161 9.397 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.786 -13.252 7.610 1.00 0.00 O ATOM 0 H ASP A 14 5.001 -9.327 8.027 1.00 0.00 H new ATOM 0 HA ASP A 14 7.141 -10.359 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.189 -11.453 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.337 -11.418 6.686 1.00 0.00 H new ATOM 176 N PRO A 15 9.316 -10.265 8.159 1.00 0.00 N ATOM 177 CA PRO A 15 10.628 -10.020 7.554 1.00 0.00 C ATOM 178 C PRO A 15 10.838 -10.828 6.278 1.00 0.00 C ATOM 179 O PRO A 15 11.745 -10.545 5.496 1.00 0.00 O ATOM 180 CB PRO A 15 11.609 -10.470 8.640 1.00 0.00 C ATOM 181 CG PRO A 15 10.850 -11.467 9.446 1.00 0.00 C ATOM 182 CD PRO A 15 9.416 -11.013 9.423 1.00 0.00 C ATOM 0 HA PRO A 15 10.751 -8.979 7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.505 -10.912 8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.934 -9.629 9.253 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.950 -12.467 9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.229 -11.513 10.467 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.727 -11.857 9.446 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.179 -10.385 10.282 1.00 0.00 H new ATOM 190 N GLU A 16 9.995 -11.835 6.075 1.00 0.00 N ATOM 191 CA GLU A 16 10.090 -12.684 4.893 1.00 0.00 C ATOM 192 C GLU A 16 9.538 -11.969 3.663 1.00 0.00 C ATOM 193 O GLU A 16 10.099 -12.068 2.572 1.00 0.00 O ATOM 194 CB GLU A 16 9.332 -13.994 5.117 1.00 0.00 C ATOM 195 CG GLU A 16 10.044 -14.957 6.052 1.00 0.00 C ATOM 196 CD GLU A 16 10.692 -14.255 7.230 1.00 0.00 C ATOM 197 OE1 GLU A 16 11.704 -13.554 7.019 1.00 0.00 O ATOM 198 OE2 GLU A 16 10.187 -14.407 8.362 1.00 0.00 O ATOM 0 H GLU A 16 9.239 -12.083 6.713 1.00 0.00 H new ATOM 0 HA GLU A 16 11.143 -12.906 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.346 -13.769 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.176 -14.483 4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.330 -15.694 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.806 -15.502 5.495 1.00 0.00 H new ATOM 205 N ILE A 17 8.437 -11.249 3.849 1.00 0.00 N ATOM 206 CA ILE A 17 7.810 -10.517 2.756 1.00 0.00 C ATOM 207 C ILE A 17 8.821 -9.629 2.038 1.00 0.00 C ATOM 208 O ILE A 17 9.900 -9.351 2.561 1.00 0.00 O ATOM 209 CB ILE A 17 6.644 -9.645 3.258 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.632 -10.500 4.024 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.971 -8.937 2.091 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.893 -9.740 5.103 1.00 0.00 C ATOM 0 H ILE A 17 7.961 -11.157 4.746 1.00 0.00 H new ATOM 0 HA ILE A 17 7.423 -11.261 2.059 1.00 0.00 H new ATOM 0 HB ILE A 17 7.041 -8.890 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.909 -10.911 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.151 -11.345 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.149 -8.325 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.697 -8.301 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.585 -9.677 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.193 -10.408 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.607 -9.352 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.346 -8.911 4.654 1.00 0.00 H new ATOM 224 N ASP A 18 8.463 -9.186 0.837 1.00 0.00 N ATOM 225 CA ASP A 18 9.338 -8.327 0.048 1.00 0.00 C ATOM 226 C ASP A 18 8.539 -7.225 -0.641 1.00 0.00 C ATOM 227 O ASP A 18 7.309 -7.217 -0.597 1.00 0.00 O ATOM 228 CB ASP A 18 10.094 -9.153 -0.994 1.00 0.00 C ATOM 229 CG ASP A 18 9.318 -9.305 -2.288 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.299 -10.027 -2.287 1.00 0.00 O ATOM 231 OD2 ASP A 18 9.729 -8.701 -3.300 1.00 0.00 O ATOM 0 H ASP A 18 7.574 -9.408 0.389 1.00 0.00 H new ATOM 0 HA ASP A 18 10.057 -7.863 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.053 -8.679 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.309 -10.140 -0.585 1.00 0.00 H new ATOM 236 N GLU A 19 9.247 -6.297 -1.276 1.00 0.00 N ATOM 237 CA GLU A 19 8.603 -5.189 -1.973 1.00 0.00 C ATOM 238 C GLU A 19 7.598 -5.702 -3.000 1.00 0.00 C ATOM 239 O GLU A 19 6.446 -5.269 -3.029 1.00 0.00 O ATOM 240 CB GLU A 19 9.651 -4.313 -2.663 1.00 0.00 C ATOM 241 CG GLU A 19 10.442 -3.440 -1.703 1.00 0.00 C ATOM 242 CD GLU A 19 11.675 -2.835 -2.345 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.662 -2.631 -3.578 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.653 -2.565 -1.617 1.00 0.00 O ATOM 0 H GLU A 19 10.266 -6.290 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 19 8.069 -4.591 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.342 -4.952 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.155 -3.676 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.801 -2.640 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.741 -4.034 -0.840 1.00 0.00 H new ATOM 251 N LYS A 20 8.043 -6.629 -3.842 1.00 0.00 N ATOM 252 CA LYS A 20 7.184 -7.204 -4.870 1.00 0.00 C ATOM 253 C LYS A 20 5.904 -7.765 -4.260 1.00 0.00 C ATOM 254 O LYS A 20 4.800 -7.343 -4.608 1.00 0.00 O ATOM 255 CB LYS A 20 7.927 -8.307 -5.627 1.00 0.00 C ATOM 256 CG LYS A 20 9.180 -7.821 -6.335 1.00 0.00 C ATOM 257 CD LYS A 20 8.860 -7.256 -7.708 1.00 0.00 C ATOM 258 CE LYS A 20 9.899 -6.235 -8.147 1.00 0.00 C ATOM 259 NZ LYS A 20 11.184 -6.881 -8.531 1.00 0.00 N ATOM 0 H LYS A 20 8.994 -6.998 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 20 6.915 -6.411 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.199 -9.097 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.253 -8.749 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.667 -7.056 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.886 -8.646 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.816 -8.067 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.875 -6.790 -7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.513 -5.664 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.076 -5.527 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.865 -6.152 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.566 -7.405 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.020 -7.538 -9.320 1.00 0.00 H new ATOM 273 N LEU A 21 6.058 -8.718 -3.347 1.00 0.00 N ATOM 274 CA LEU A 21 4.914 -9.337 -2.686 1.00 0.00 C ATOM 275 C LEU A 21 3.918 -8.280 -2.218 1.00 0.00 C ATOM 276 O LEU A 21 2.788 -8.218 -2.704 1.00 0.00 O ATOM 277 CB LEU A 21 5.380 -10.176 -1.495 1.00 0.00 C ATOM 278 CG LEU A 21 4.377 -11.199 -0.961 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.146 -12.303 -1.981 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.861 -11.782 0.359 1.00 0.00 C ATOM 0 H LEU A 21 6.964 -9.079 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 21 4.417 -9.985 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.289 -10.704 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.647 -9.500 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 21 3.429 -10.691 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.429 -13.022 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.754 -11.871 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.089 -12.808 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.135 -12.508 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.822 -12.274 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.973 -10.982 1.091 1.00 0.00 H new ATOM 292 N LEU A 22 4.346 -7.449 -1.274 1.00 0.00 N ATOM 293 CA LEU A 22 3.492 -6.392 -0.742 1.00 0.00 C ATOM 294 C LEU A 22 2.702 -5.717 -1.858 1.00 0.00 C ATOM 295 O LEU A 22 1.475 -5.632 -1.800 1.00 0.00 O ATOM 296 CB LEU A 22 4.336 -5.354 0.001 1.00 0.00 C ATOM 297 CG LEU A 22 4.653 -5.670 1.463 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.774 -4.775 1.971 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.410 -5.511 2.325 1.00 0.00 C ATOM 0 H LEU A 22 5.278 -7.486 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 22 2.786 -6.844 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.277 -5.229 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.816 -4.397 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 22 4.985 -6.706 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.986 -5.014 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.670 -4.938 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.470 -3.731 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.655 -5.740 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.048 -4.485 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.635 -6.194 1.976 1.00 0.00 H new ATOM 311 N TYR A 23 3.412 -5.240 -2.874 1.00 0.00 N ATOM 312 CA TYR A 23 2.777 -4.572 -4.004 1.00 0.00 C ATOM 313 C TYR A 23 1.554 -5.350 -4.479 1.00 0.00 C ATOM 314 O TYR A 23 0.473 -4.787 -4.649 1.00 0.00 O ATOM 315 CB TYR A 23 3.772 -4.412 -5.154 1.00 0.00 C ATOM 316 CG TYR A 23 3.167 -3.800 -6.397 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.261 -4.511 -7.174 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.503 -2.512 -6.796 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.706 -3.957 -8.312 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.952 -1.950 -7.931 1.00 0.00 C ATOM 321 CZ TYR A 23 2.055 -2.676 -8.686 1.00 0.00 C ATOM 322 OH TYR A 23 1.505 -2.119 -9.818 1.00 0.00 O ATOM 0 H TYR A 23 4.428 -5.303 -2.938 1.00 0.00 H new ATOM 0 HA TYR A 23 2.452 -3.585 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.603 -3.790 -4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.185 -5.389 -5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.986 -5.514 -6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.207 -1.941 -6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.003 -4.524 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.222 -0.947 -8.226 1.00 0.00 H new ATOM 0 HH TYR A 23 1.855 -1.212 -9.939 1.00 0.00 H new ATOM 332 N ASP A 24 1.734 -6.649 -4.692 1.00 0.00 N ATOM 333 CA ASP A 24 0.646 -7.508 -5.147 1.00 0.00 C ATOM 334 C ASP A 24 -0.414 -7.663 -4.060 1.00 0.00 C ATOM 335 O ASP A 24 -1.594 -7.395 -4.286 1.00 0.00 O ATOM 336 CB ASP A 24 1.186 -8.881 -5.550 1.00 0.00 C ATOM 337 CG ASP A 24 1.634 -8.924 -6.998 1.00 0.00 C ATOM 338 OD1 ASP A 24 2.763 -8.474 -7.283 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.856 -9.409 -7.845 1.00 0.00 O ATOM 0 H ASP A 24 2.623 -7.131 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 24 0.184 -7.039 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.025 -9.142 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.414 -9.634 -5.389 1.00 0.00 H new ATOM 344 N THR A 25 0.016 -8.099 -2.880 1.00 0.00 N ATOM 345 CA THR A 25 -0.896 -8.293 -1.759 1.00 0.00 C ATOM 346 C THR A 25 -1.851 -7.113 -1.618 1.00 0.00 C ATOM 347 O THR A 25 -3.008 -7.282 -1.232 1.00 0.00 O ATOM 348 CB THR A 25 -0.128 -8.479 -0.437 1.00 0.00 C ATOM 349 OG1 THR A 25 0.603 -9.709 -0.464 1.00 0.00 O ATOM 350 CG2 THR A 25 -1.083 -8.476 0.748 1.00 0.00 C ATOM 0 H THR A 25 0.990 -8.324 -2.676 1.00 0.00 H new ATOM 0 HA THR A 25 -1.468 -9.197 -1.968 1.00 0.00 H new ATOM 0 HB THR A 25 0.567 -7.647 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.090 -9.819 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.518 -8.609 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.617 -7.526 0.783 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.799 -9.291 0.640 1.00 0.00 H new ATOM 358 N PHE A 26 -1.361 -5.919 -1.933 1.00 0.00 N ATOM 359 CA PHE A 26 -2.172 -4.711 -1.840 1.00 0.00 C ATOM 360 C PHE A 26 -2.756 -4.343 -3.201 1.00 0.00 C ATOM 361 O PHE A 26 -3.744 -3.613 -3.288 1.00 0.00 O ATOM 362 CB PHE A 26 -1.335 -3.549 -1.301 1.00 0.00 C ATOM 363 CG PHE A 26 -1.122 -3.603 0.185 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.432 -4.657 0.762 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.613 -2.600 1.005 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.234 -4.709 2.129 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.418 -2.647 2.373 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.729 -3.703 2.935 1.00 0.00 C ATOM 0 H PHE A 26 -0.406 -5.762 -2.255 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.994 -4.907 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.366 -3.548 -1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.825 -2.609 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.044 -5.447 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.154 -1.772 0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.307 -5.535 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.804 -1.858 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.577 -3.742 4.004 1.00 0.00 H new ATOM 378 N SER A 27 -2.138 -4.853 -4.261 1.00 0.00 N ATOM 379 CA SER A 27 -2.593 -4.574 -5.619 1.00 0.00 C ATOM 380 C SER A 27 -4.035 -5.034 -5.813 1.00 0.00 C ATOM 381 O SER A 27 -4.867 -4.297 -6.342 1.00 0.00 O ATOM 382 CB SER A 27 -1.684 -5.266 -6.636 1.00 0.00 C ATOM 383 OG SER A 27 -2.186 -5.119 -7.953 1.00 0.00 O ATOM 0 H SER A 27 -1.321 -5.461 -4.206 1.00 0.00 H new ATOM 0 HA SER A 27 -2.549 -3.496 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.680 -4.845 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.600 -6.325 -6.392 1.00 0.00 H new ATOM 0 HG SER A 27 -1.586 -5.569 -8.584 1.00 0.00 H new ATOM 389 N ALA A 28 -4.323 -6.257 -5.381 1.00 0.00 N ATOM 390 CA ALA A 28 -5.664 -6.816 -5.505 1.00 0.00 C ATOM 391 C ALA A 28 -6.726 -5.759 -5.222 1.00 0.00 C ATOM 392 O ALA A 28 -7.595 -5.500 -6.054 1.00 0.00 O ATOM 393 CB ALA A 28 -5.831 -8.001 -4.565 1.00 0.00 C ATOM 0 H ALA A 28 -3.645 -6.880 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.795 -7.160 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.837 -8.408 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.100 -8.770 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.676 -7.674 -3.537 1.00 0.00 H new ATOM 399 N PHE A 29 -6.652 -5.153 -4.042 1.00 0.00 N ATOM 400 CA PHE A 29 -7.609 -4.126 -3.648 1.00 0.00 C ATOM 401 C PHE A 29 -7.645 -2.995 -4.672 1.00 0.00 C ATOM 402 O PHE A 29 -8.627 -2.829 -5.395 1.00 0.00 O ATOM 403 CB PHE A 29 -7.253 -3.568 -2.268 1.00 0.00 C ATOM 404 CG PHE A 29 -7.130 -4.625 -1.208 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.259 -5.232 -0.682 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.886 -5.012 -0.738 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.149 -6.204 0.294 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.769 -5.984 0.238 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.903 -6.581 0.754 1.00 0.00 C ATOM 0 H PHE A 29 -5.939 -5.355 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.597 -4.584 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.312 -3.023 -2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.016 -2.850 -1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.236 -4.942 -1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.997 -4.549 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.037 -6.668 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.793 -6.276 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.815 -7.341 1.516 1.00 0.00 H new ATOM 419 N GLY A 30 -6.567 -2.219 -4.727 1.00 0.00 N ATOM 420 CA GLY A 30 -6.495 -1.114 -5.664 1.00 0.00 C ATOM 421 C GLY A 30 -5.162 -1.049 -6.383 1.00 0.00 C ATOM 422 O GLY A 30 -4.291 -1.892 -6.169 1.00 0.00 O ATOM 0 H GLY A 30 -5.742 -2.336 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.295 -1.211 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.663 -0.178 -5.131 1.00 0.00 H new ATOM 426 N VAL A 31 -5.002 -0.045 -7.239 1.00 0.00 N ATOM 427 CA VAL A 31 -3.765 0.128 -7.993 1.00 0.00 C ATOM 428 C VAL A 31 -2.753 0.953 -7.206 1.00 0.00 C ATOM 429 O VAL A 31 -3.098 1.975 -6.613 1.00 0.00 O ATOM 430 CB VAL A 31 -4.025 0.810 -9.349 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.723 0.984 -10.117 1.00 0.00 C ATOM 432 CG2 VAL A 31 -5.031 0.011 -10.163 1.00 0.00 C ATOM 0 H VAL A 31 -5.713 0.661 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.359 -0.868 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.445 1.799 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.926 1.467 -11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.038 1.601 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.271 0.008 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.203 0.508 -11.118 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.642 -0.992 -10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.971 -0.057 -9.615 1.00 0.00 H new ATOM 442 N ILE A 32 -1.503 0.503 -7.207 1.00 0.00 N ATOM 443 CA ILE A 32 -0.440 1.200 -6.495 1.00 0.00 C ATOM 444 C ILE A 32 0.152 2.318 -7.347 1.00 0.00 C ATOM 445 O ILE A 32 0.204 2.216 -8.574 1.00 0.00 O ATOM 446 CB ILE A 32 0.687 0.236 -6.079 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.177 -0.759 -5.035 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.878 1.014 -5.540 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.094 -1.944 -4.830 1.00 0.00 C ATOM 0 H ILE A 32 -1.202 -0.342 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.890 1.628 -5.599 1.00 0.00 H new ATOM 0 HB ILE A 32 1.010 -0.322 -6.958 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.048 -0.241 -4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.806 -1.119 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.666 0.319 -5.250 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.253 1.686 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.570 1.595 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.669 -2.607 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.204 -2.486 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.071 -1.595 -4.496 1.00 0.00 H new ATOM 461 N LEU A 33 0.599 3.382 -6.691 1.00 0.00 N ATOM 462 CA LEU A 33 1.189 4.519 -7.388 1.00 0.00 C ATOM 463 C LEU A 33 2.646 4.242 -7.746 1.00 0.00 C ATOM 464 O LEU A 33 3.052 4.399 -8.896 1.00 0.00 O ATOM 465 CB LEU A 33 1.095 5.778 -6.523 1.00 0.00 C ATOM 466 CG LEU A 33 -0.284 6.433 -6.440 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.265 7.591 -5.454 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.733 6.907 -7.814 1.00 0.00 C ATOM 0 H LEU A 33 0.564 3.482 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 33 0.631 4.677 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.417 5.525 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.802 6.513 -6.908 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.998 5.690 -6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.255 8.046 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.012 7.223 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.461 8.335 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.716 7.370 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.019 7.635 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.786 6.056 -8.493 1.00 0.00 H new ATOM 480 N GLN A 34 3.425 3.827 -6.752 1.00 0.00 N ATOM 481 CA GLN A 34 4.836 3.526 -6.963 1.00 0.00 C ATOM 482 C GLN A 34 5.334 2.508 -5.943 1.00 0.00 C ATOM 483 O GLN A 34 4.745 2.344 -4.874 1.00 0.00 O ATOM 484 CB GLN A 34 5.671 4.805 -6.875 1.00 0.00 C ATOM 485 CG GLN A 34 5.546 5.699 -8.098 1.00 0.00 C ATOM 486 CD GLN A 34 6.792 6.525 -8.347 1.00 0.00 C ATOM 487 OE1 GLN A 34 7.771 6.038 -8.912 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.762 7.784 -7.924 1.00 0.00 N ATOM 0 H GLN A 34 3.103 3.692 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 34 4.945 3.097 -7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.367 5.367 -5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.718 4.536 -6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.342 5.083 -8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.693 6.365 -7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.929 8.146 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.572 8.388 -8.063 1.00 0.00 H new ATOM 497 N THR A 35 6.424 1.824 -6.279 1.00 0.00 N ATOM 498 CA THR A 35 7.000 0.821 -5.394 1.00 0.00 C ATOM 499 C THR A 35 6.906 1.255 -3.935 1.00 0.00 C ATOM 500 O THR A 35 7.251 2.381 -3.574 1.00 0.00 O ATOM 501 CB THR A 35 8.476 0.546 -5.741 1.00 0.00 C ATOM 502 OG1 THR A 35 8.558 -0.368 -6.841 1.00 0.00 O ATOM 503 CG2 THR A 35 9.216 -0.027 -4.542 1.00 0.00 C ATOM 0 H THR A 35 6.925 1.947 -7.159 1.00 0.00 H new ATOM 0 HA THR A 35 6.424 -0.093 -5.536 1.00 0.00 H new ATOM 0 HB THR A 35 8.944 1.491 -6.018 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.499 -0.537 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.256 -0.213 -4.811 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.176 0.684 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.747 -0.963 -4.238 1.00 0.00 H new ATOM 511 N PRO A 36 6.429 0.344 -3.075 1.00 0.00 N ATOM 512 CA PRO A 36 6.280 0.610 -1.641 1.00 0.00 C ATOM 513 C PRO A 36 7.624 0.722 -0.930 1.00 0.00 C ATOM 514 O PRO A 36 8.612 0.116 -1.346 1.00 0.00 O ATOM 515 CB PRO A 36 5.506 -0.609 -1.133 1.00 0.00 C ATOM 516 CG PRO A 36 5.827 -1.693 -2.103 1.00 0.00 C ATOM 517 CD PRO A 36 6.000 -1.018 -3.436 1.00 0.00 C ATOM 0 HA PRO A 36 5.779 1.559 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.812 -0.879 -0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.434 -0.412 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.735 -2.221 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.027 -2.432 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.745 -1.525 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.071 -1.009 -4.006 1.00 0.00 H new ATOM 525 N LYS A 37 7.655 1.502 0.146 1.00 0.00 N ATOM 526 CA LYS A 37 8.878 1.693 0.918 1.00 0.00 C ATOM 527 C LYS A 37 8.858 0.846 2.186 1.00 0.00 C ATOM 528 O LYS A 37 7.877 0.847 2.929 1.00 0.00 O ATOM 529 CB LYS A 37 9.050 3.170 1.281 1.00 0.00 C ATOM 530 CG LYS A 37 9.649 4.005 0.163 1.00 0.00 C ATOM 531 CD LYS A 37 10.367 5.230 0.704 1.00 0.00 C ATOM 532 CE LYS A 37 9.406 6.388 0.925 1.00 0.00 C ATOM 533 NZ LYS A 37 10.103 7.703 0.886 1.00 0.00 N ATOM 0 H LYS A 37 6.847 2.012 0.503 1.00 0.00 H new ATOM 0 HA LYS A 37 9.720 1.375 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.079 3.584 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.687 3.247 2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.348 3.397 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.860 4.317 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.858 4.979 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.148 5.532 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.629 6.366 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.909 6.269 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.414 8.466 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.827 7.734 1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.556 7.829 -0.042 1.00 0.00 H new ATOM 547 N ILE A 38 9.948 0.125 2.427 1.00 0.00 N ATOM 548 CA ILE A 38 10.057 -0.724 3.607 1.00 0.00 C ATOM 549 C ILE A 38 11.311 -0.393 4.409 1.00 0.00 C ATOM 550 O ILE A 38 12.430 -0.556 3.925 1.00 0.00 O ATOM 551 CB ILE A 38 10.084 -2.216 3.226 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.879 -2.563 2.348 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.101 -3.082 4.476 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.982 -3.920 1.689 1.00 0.00 C ATOM 0 H ILE A 38 10.768 0.112 1.821 1.00 0.00 H new ATOM 0 HA ILE A 38 9.176 -0.529 4.218 1.00 0.00 H new ATOM 0 HB ILE A 38 10.993 -2.414 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.975 -2.531 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.770 -1.801 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.120 -4.134 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.987 -2.851 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.208 -2.883 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.094 -4.098 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.867 -3.950 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.059 -4.692 2.455 1.00 0.00 H new ATOM 566 N MET A 39 11.114 0.071 5.639 1.00 0.00 N ATOM 567 CA MET A 39 12.230 0.422 6.510 1.00 0.00 C ATOM 568 C MET A 39 13.014 -0.822 6.916 1.00 0.00 C ATOM 569 O MET A 39 12.431 -1.851 7.257 1.00 0.00 O ATOM 570 CB MET A 39 11.722 1.149 7.756 1.00 0.00 C ATOM 571 CG MET A 39 11.128 2.517 7.462 1.00 0.00 C ATOM 572 SD MET A 39 9.399 2.430 6.957 1.00 0.00 S ATOM 573 CE MET A 39 9.237 3.959 6.039 1.00 0.00 C ATOM 0 H MET A 39 10.193 0.213 6.055 1.00 0.00 H new ATOM 0 HA MET A 39 12.896 1.085 5.958 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.968 0.532 8.244 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.546 1.263 8.461 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.212 3.144 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.708 2.999 6.675 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.598 3.796 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.794 4.722 6.679 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.221 4.290 5.707 1.00 0.00 H new ATOM 691 N LYS A 48 12.728 -3.424 9.613 1.00 0.00 N ATOM 692 CA LYS A 48 12.401 -2.772 10.876 1.00 0.00 C ATOM 693 C LYS A 48 11.162 -3.399 11.507 1.00 0.00 C ATOM 694 O LYS A 48 11.211 -3.900 12.629 1.00 0.00 O ATOM 695 CB LYS A 48 12.172 -1.274 10.656 1.00 0.00 C ATOM 696 CG LYS A 48 13.443 -0.447 10.735 1.00 0.00 C ATOM 697 CD LYS A 48 13.724 0.010 12.157 1.00 0.00 C ATOM 698 CE LYS A 48 14.664 1.206 12.182 1.00 0.00 C ATOM 699 NZ LYS A 48 16.041 0.838 11.753 1.00 0.00 N ATOM 0 HA LYS A 48 13.242 -2.909 11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.712 -1.125 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.465 -0.910 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.284 -1.035 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.354 0.422 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.787 0.272 12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.163 -0.811 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.276 1.986 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.696 1.622 13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.651 1.680 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.421 0.111 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.014 0.465 10.782 1.00 0.00 H new ATOM 713 N GLY A 49 10.051 -3.367 10.776 1.00 0.00 N ATOM 714 CA GLY A 49 8.815 -3.937 11.281 1.00 0.00 C ATOM 715 C GLY A 49 7.587 -3.280 10.683 1.00 0.00 C ATOM 716 O GLY A 49 6.485 -3.823 10.759 1.00 0.00 O ATOM 0 H GLY A 49 9.985 -2.957 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.795 -5.005 11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.787 -3.833 12.366 1.00 0.00 H new ATOM 720 N TYR A 50 7.776 -2.108 10.088 1.00 0.00 N ATOM 721 CA TYR A 50 6.674 -1.373 9.478 1.00 0.00 C ATOM 722 C TYR A 50 7.074 -0.824 8.112 1.00 0.00 C ATOM 723 O TYR A 50 8.248 -0.554 7.859 1.00 0.00 O ATOM 724 CB TYR A 50 6.229 -0.229 10.390 1.00 0.00 C ATOM 725 CG TYR A 50 7.337 0.746 10.721 1.00 0.00 C ATOM 726 CD1 TYR A 50 7.662 1.780 9.852 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.059 0.632 11.903 1.00 0.00 C ATOM 728 CE1 TYR A 50 8.673 2.673 10.151 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.071 1.521 12.210 1.00 0.00 C ATOM 730 CZ TYR A 50 9.374 2.539 11.331 1.00 0.00 C ATOM 731 OH TYR A 50 10.382 3.426 11.633 1.00 0.00 O ATOM 0 H TYR A 50 8.682 -1.646 10.015 1.00 0.00 H new ATOM 0 HA TYR A 50 5.842 -2.064 9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.412 0.311 9.910 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.834 -0.646 11.316 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.115 1.888 8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.825 -0.165 12.593 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.913 3.471 9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.622 1.419 13.133 1.00 0.00 H new ATOM 0 HH TYR A 50 10.774 3.193 12.500 1.00 0.00 H new ATOM 741 N ALA A 51 6.089 -0.661 7.235 1.00 0.00 N ATOM 742 CA ALA A 51 6.337 -0.142 5.896 1.00 0.00 C ATOM 743 C ALA A 51 5.266 0.865 5.491 1.00 0.00 C ATOM 744 O ALA A 51 4.244 1.003 6.163 1.00 0.00 O ATOM 745 CB ALA A 51 6.399 -1.283 4.891 1.00 0.00 C ATOM 0 H ALA A 51 5.112 -0.881 7.428 1.00 0.00 H new ATOM 0 HA ALA A 51 7.298 0.373 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.585 -0.881 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.205 -1.964 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.452 -1.822 4.894 1.00 0.00 H new ATOM 751 N PHE A 52 5.507 1.567 4.388 1.00 0.00 N ATOM 752 CA PHE A 52 4.563 2.563 3.894 1.00 0.00 C ATOM 753 C PHE A 52 4.195 2.288 2.439 1.00 0.00 C ATOM 754 O PHE A 52 5.018 1.810 1.659 1.00 0.00 O ATOM 755 CB PHE A 52 5.156 3.967 4.026 1.00 0.00 C ATOM 756 CG PHE A 52 5.105 4.511 5.425 1.00 0.00 C ATOM 757 CD1 PHE A 52 5.979 4.047 6.395 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.183 5.486 5.770 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.933 4.545 7.684 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.133 5.989 7.057 1.00 0.00 C ATOM 761 CZ PHE A 52 5.010 5.518 8.015 1.00 0.00 C ATOM 0 H PHE A 52 6.348 1.464 3.820 1.00 0.00 H new ATOM 0 HA PHE A 52 3.657 2.501 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.193 3.948 3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.618 4.644 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.704 3.288 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.495 5.858 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.618 4.174 8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.410 6.749 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.974 5.910 9.021 1.00 0.00 H new ATOM 771 N ILE A 53 2.952 2.595 2.082 1.00 0.00 N ATOM 772 CA ILE A 53 2.474 2.382 0.722 1.00 0.00 C ATOM 773 C ILE A 53 1.426 3.421 0.338 1.00 0.00 C ATOM 774 O ILE A 53 0.537 3.741 1.126 1.00 0.00 O ATOM 775 CB ILE A 53 1.872 0.975 0.551 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.820 -0.082 1.120 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.581 0.698 -0.917 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.418 -1.500 0.780 1.00 0.00 C ATOM 0 H ILE A 53 2.258 2.992 2.716 1.00 0.00 H new ATOM 0 HA ILE A 53 3.338 2.481 0.065 1.00 0.00 H new ATOM 0 HB ILE A 53 0.933 0.928 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.826 0.102 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.862 0.025 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.156 -0.300 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.872 1.436 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.507 0.760 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.135 -2.196 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.425 -1.703 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.404 -1.624 -0.303 1.00 0.00 H new ATOM 790 N ASN A 54 1.538 3.945 -0.878 1.00 0.00 N ATOM 791 CA ASN A 54 0.599 4.948 -1.368 1.00 0.00 C ATOM 792 C ASN A 54 -0.334 4.353 -2.418 1.00 0.00 C ATOM 793 O ASN A 54 0.115 3.740 -3.387 1.00 0.00 O ATOM 794 CB ASN A 54 1.355 6.140 -1.957 1.00 0.00 C ATOM 795 CG ASN A 54 2.292 6.784 -0.954 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.822 6.117 -0.065 1.00 0.00 O ATOM 797 ND2 ASN A 54 2.500 8.088 -1.092 1.00 0.00 N ATOM 0 H ASN A 54 2.269 3.692 -1.542 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.002 5.289 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.927 5.811 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.639 6.882 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.120 8.577 -0.446 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.040 8.601 -1.844 1.00 0.00 H new ATOM 804 N PHE A 55 -1.635 4.540 -2.220 1.00 0.00 N ATOM 805 CA PHE A 55 -2.632 4.021 -3.149 1.00 0.00 C ATOM 806 C PHE A 55 -3.044 5.091 -4.157 1.00 0.00 C ATOM 807 O PHE A 55 -2.854 6.284 -3.924 1.00 0.00 O ATOM 808 CB PHE A 55 -3.861 3.523 -2.386 1.00 0.00 C ATOM 809 CG PHE A 55 -3.776 2.077 -1.991 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.824 1.079 -2.951 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.648 1.715 -0.660 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.745 -0.254 -2.591 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.569 0.384 -0.294 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.619 -0.601 -1.261 1.00 0.00 C ATOM 0 H PHE A 55 -2.023 5.047 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.188 3.187 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.992 4.129 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.747 3.671 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.924 1.345 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.609 2.481 0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.782 -1.022 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.468 0.115 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.560 -1.641 -0.977 1.00 0.00 H new ATOM 824 N ALA A 56 -3.608 4.653 -5.278 1.00 0.00 N ATOM 825 CA ALA A 56 -4.048 5.572 -6.321 1.00 0.00 C ATOM 826 C ALA A 56 -4.945 6.663 -5.748 1.00 0.00 C ATOM 827 O ALA A 56 -4.669 7.853 -5.905 1.00 0.00 O ATOM 828 CB ALA A 56 -4.774 4.812 -7.421 1.00 0.00 C ATOM 0 H ALA A 56 -3.771 3.668 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.166 6.050 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.097 5.510 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.102 4.073 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.644 4.307 -7.001 1.00 0.00 H new ATOM 834 N SER A 57 -6.021 6.251 -5.084 1.00 0.00 N ATOM 835 CA SER A 57 -6.961 7.195 -4.492 1.00 0.00 C ATOM 836 C SER A 57 -7.402 6.726 -3.108 1.00 0.00 C ATOM 837 O SER A 57 -7.170 5.579 -2.725 1.00 0.00 O ATOM 838 CB SER A 57 -8.182 7.367 -5.397 1.00 0.00 C ATOM 839 OG SER A 57 -8.759 8.651 -5.237 1.00 0.00 O ATOM 0 H SER A 57 -6.263 5.270 -4.943 1.00 0.00 H new ATOM 0 HA SER A 57 -6.456 8.156 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.890 7.223 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.922 6.601 -5.164 1.00 0.00 H new ATOM 0 HG SER A 57 -9.537 8.736 -5.827 1.00 0.00 H new ATOM 845 N PHE A 58 -8.039 7.623 -2.362 1.00 0.00 N ATOM 846 CA PHE A 58 -8.512 7.303 -1.020 1.00 0.00 C ATOM 847 C PHE A 58 -9.397 6.060 -1.037 1.00 0.00 C ATOM 848 O PHE A 58 -9.307 5.209 -0.153 1.00 0.00 O ATOM 849 CB PHE A 58 -9.286 8.486 -0.434 1.00 0.00 C ATOM 850 CG PHE A 58 -8.442 9.712 -0.228 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.266 10.628 -1.252 1.00 0.00 C ATOM 852 CD2 PHE A 58 -7.824 9.947 0.990 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.490 11.756 -1.065 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.047 11.073 1.183 1.00 0.00 C ATOM 855 CZ PHE A 58 -6.880 11.980 0.154 1.00 0.00 C ATOM 0 H PHE A 58 -8.239 8.576 -2.664 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.643 7.100 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.115 8.732 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.720 8.189 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.741 10.459 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.951 9.242 1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.360 12.462 -1.872 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.571 11.244 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.274 12.862 0.302 1.00 0.00 H new ATOM 865 N ASP A 59 -10.252 5.964 -2.049 1.00 0.00 N ATOM 866 CA ASP A 59 -11.154 4.826 -2.183 1.00 0.00 C ATOM 867 C ASP A 59 -10.409 3.513 -1.961 1.00 0.00 C ATOM 868 O ASP A 59 -10.787 2.710 -1.110 1.00 0.00 O ATOM 869 CB ASP A 59 -11.810 4.827 -3.565 1.00 0.00 C ATOM 870 CG ASP A 59 -12.376 6.184 -3.935 1.00 0.00 C ATOM 871 OD1 ASP A 59 -11.582 7.090 -4.262 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.615 6.339 -3.899 1.00 0.00 O ATOM 0 H ASP A 59 -10.340 6.661 -2.789 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.929 4.917 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.076 4.526 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.609 4.085 -3.586 1.00 0.00 H new ATOM 877 N ALA A 60 -9.348 3.303 -2.734 1.00 0.00 N ATOM 878 CA ALA A 60 -8.549 2.089 -2.621 1.00 0.00 C ATOM 879 C ALA A 60 -8.023 1.908 -1.201 1.00 0.00 C ATOM 880 O ALA A 60 -8.035 0.802 -0.661 1.00 0.00 O ATOM 881 CB ALA A 60 -7.397 2.122 -3.613 1.00 0.00 C ATOM 0 H ALA A 60 -9.022 3.958 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.190 1.238 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.809 1.209 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.792 2.195 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.764 2.985 -3.407 1.00 0.00 H new ATOM 887 N SER A 61 -7.560 3.001 -0.603 1.00 0.00 N ATOM 888 CA SER A 61 -7.025 2.962 0.753 1.00 0.00 C ATOM 889 C SER A 61 -8.092 2.512 1.746 1.00 0.00 C ATOM 890 O SER A 61 -7.806 1.776 2.690 1.00 0.00 O ATOM 891 CB SER A 61 -6.489 4.338 1.152 1.00 0.00 C ATOM 892 OG SER A 61 -5.556 4.818 0.199 1.00 0.00 O ATOM 0 H SER A 61 -7.545 3.924 -1.036 1.00 0.00 H new ATOM 0 HA SER A 61 -6.208 2.241 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.316 5.042 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.014 4.277 2.131 1.00 0.00 H new ATOM 0 HG SER A 61 -5.229 5.699 0.476 1.00 0.00 H new ATOM 898 N ASP A 62 -9.323 2.959 1.524 1.00 0.00 N ATOM 899 CA ASP A 62 -10.435 2.603 2.398 1.00 0.00 C ATOM 900 C ASP A 62 -10.607 1.089 2.468 1.00 0.00 C ATOM 901 O ASP A 62 -10.764 0.521 3.549 1.00 0.00 O ATOM 902 CB ASP A 62 -11.728 3.253 1.905 1.00 0.00 C ATOM 903 CG ASP A 62 -12.762 3.394 3.005 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.713 2.603 3.970 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.619 4.295 2.900 1.00 0.00 O ATOM 0 H ASP A 62 -9.576 3.569 0.746 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.211 2.972 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.503 4.237 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.144 2.656 1.093 1.00 0.00 H new ATOM 910 N ALA A 63 -10.577 0.441 1.308 1.00 0.00 N ATOM 911 CA ALA A 63 -10.728 -1.007 1.238 1.00 0.00 C ATOM 912 C ALA A 63 -9.768 -1.707 2.193 1.00 0.00 C ATOM 913 O ALA A 63 -10.187 -2.480 3.055 1.00 0.00 O ATOM 914 CB ALA A 63 -10.505 -1.493 -0.187 1.00 0.00 C ATOM 0 H ALA A 63 -10.450 0.896 0.404 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.745 -1.255 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.621 -2.576 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.235 -1.027 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.499 -1.224 -0.510 1.00 0.00 H new ATOM 920 N ALA A 64 -8.477 -1.431 2.035 1.00 0.00 N ATOM 921 CA ALA A 64 -7.458 -2.033 2.885 1.00 0.00 C ATOM 922 C ALA A 64 -7.714 -1.721 4.355 1.00 0.00 C ATOM 923 O ALA A 64 -7.823 -2.627 5.182 1.00 0.00 O ATOM 924 CB ALA A 64 -6.075 -1.550 2.474 1.00 0.00 C ATOM 0 H ALA A 64 -8.113 -0.794 1.326 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.506 -3.114 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.324 -2.008 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.885 -1.830 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.024 -0.466 2.572 1.00 0.00 H new ATOM 930 N ILE A 65 -7.808 -0.435 4.674 1.00 0.00 N ATOM 931 CA ILE A 65 -8.052 -0.004 6.045 1.00 0.00 C ATOM 932 C ILE A 65 -9.283 -0.691 6.627 1.00 0.00 C ATOM 933 O ILE A 65 -9.452 -0.755 7.844 1.00 0.00 O ATOM 934 CB ILE A 65 -8.242 1.522 6.130 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.969 2.243 5.681 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.616 1.931 7.547 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.131 3.742 5.568 1.00 0.00 C ATOM 0 H ILE A 65 -7.719 0.327 4.002 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.173 -0.286 6.625 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.054 1.809 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.169 2.025 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.658 1.846 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.747 3.012 7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.546 1.441 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.823 1.633 8.233 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.189 4.186 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.908 3.970 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.412 4.152 6.538 1.00 0.00 H new ATOM 949 N GLU A 66 -10.138 -1.205 5.748 1.00 0.00 N ATOM 950 CA GLU A 66 -11.352 -1.889 6.175 1.00 0.00 C ATOM 951 C GLU A 66 -11.095 -3.380 6.378 1.00 0.00 C ATOM 952 O GLU A 66 -11.578 -3.979 7.338 1.00 0.00 O ATOM 953 CB GLU A 66 -12.466 -1.688 5.146 1.00 0.00 C ATOM 954 CG GLU A 66 -13.864 -1.835 5.725 1.00 0.00 C ATOM 955 CD GLU A 66 -14.210 -0.729 6.702 1.00 0.00 C ATOM 956 OE1 GLU A 66 -14.471 0.404 6.248 1.00 0.00 O ATOM 957 OE2 GLU A 66 -14.219 -0.997 7.922 1.00 0.00 O ATOM 0 H GLU A 66 -10.012 -1.160 4.737 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.664 -1.459 7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.367 -0.696 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.338 -2.410 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.591 -1.838 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.945 -2.798 6.229 1.00 0.00 H new ATOM 964 N ALA A 67 -10.330 -3.971 5.466 1.00 0.00 N ATOM 965 CA ALA A 67 -10.007 -5.391 5.545 1.00 0.00 C ATOM 966 C ALA A 67 -8.572 -5.601 6.015 1.00 0.00 C ATOM 967 O ALA A 67 -8.333 -6.218 7.053 1.00 0.00 O ATOM 968 CB ALA A 67 -10.226 -6.057 4.195 1.00 0.00 C ATOM 0 H ALA A 67 -9.923 -3.489 4.665 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.672 -5.851 6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.981 -7.117 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.269 -5.945 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.585 -5.587 3.449 1.00 0.00 H new ATOM 974 N MET A 68 -7.620 -5.086 5.244 1.00 0.00 N ATOM 975 CA MET A 68 -6.207 -5.218 5.583 1.00 0.00 C ATOM 976 C MET A 68 -5.949 -4.775 7.019 1.00 0.00 C ATOM 977 O MET A 68 -4.959 -5.172 7.632 1.00 0.00 O ATOM 978 CB MET A 68 -5.351 -4.392 4.621 1.00 0.00 C ATOM 979 CG MET A 68 -5.322 -4.946 3.205 1.00 0.00 C ATOM 980 SD MET A 68 -4.899 -6.698 3.154 1.00 0.00 S ATOM 981 CE MET A 68 -3.251 -6.670 3.854 1.00 0.00 C ATOM 0 H MET A 68 -7.801 -4.574 4.381 1.00 0.00 H new ATOM 0 HA MET A 68 -5.933 -6.269 5.491 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.731 -3.371 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.332 -4.344 5.004 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.297 -4.798 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.599 -4.384 2.614 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.558 -7.164 3.173 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.937 -5.637 4.005 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.253 -7.192 4.811 1.00 0.00 H new ATOM 991 N ASN A 69 -6.846 -3.950 7.550 1.00 0.00 N ATOM 992 CA ASN A 69 -6.714 -3.453 8.915 1.00 0.00 C ATOM 993 C ASN A 69 -6.869 -4.587 9.924 1.00 0.00 C ATOM 994 O ASN A 69 -7.911 -4.725 10.563 1.00 0.00 O ATOM 995 CB ASN A 69 -7.757 -2.367 9.187 1.00 0.00 C ATOM 996 CG ASN A 69 -7.978 -2.137 10.670 1.00 0.00 C ATOM 997 OD1 ASN A 69 -9.040 -2.454 11.206 1.00 0.00 O ATOM 998 ND2 ASN A 69 -6.974 -1.582 11.339 1.00 0.00 N ATOM 0 H ASN A 69 -7.672 -3.612 7.056 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.717 -3.026 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.437 -1.435 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.701 -2.649 8.721 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.065 -1.402 12.339 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.112 -1.336 10.853 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.823 -5.396 10.062 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.863 -6.506 10.996 1.00 0.00 C ATOM 1007 C GLY A 70 -5.668 -7.845 10.312 1.00 0.00 C ATOM 1008 O GLY A 70 -5.569 -8.878 10.974 1.00 0.00 O ATOM 0 H GLY A 70 -4.949 -5.303 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.088 -6.370 11.750 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.820 -6.504 11.518 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.615 -7.828 8.984 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.434 -9.051 8.211 1.00 0.00 C ATOM 1014 C GLN A 71 -4.238 -9.846 8.723 1.00 0.00 C ATOM 1015 O GLN A 71 -3.181 -9.283 9.007 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.245 -8.720 6.730 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.546 -8.683 5.944 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.188 -10.050 5.814 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -6.526 -11.030 5.472 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -8.486 -10.123 6.086 1.00 0.00 N ATOM 0 H GLN A 71 -5.695 -6.981 8.421 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.330 -9.661 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.750 -7.753 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.581 -9.460 6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.243 -8.004 6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.354 -8.280 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.996 -9.285 6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.973 -11.017 6.015 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.413 -11.158 8.839 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.348 -12.031 9.320 1.00 0.00 C ATOM 1031 C TYR A 72 -2.344 -12.327 8.210 1.00 0.00 C ATOM 1032 O TYR A 72 -2.603 -13.142 7.323 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.935 -13.338 9.855 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.142 -13.935 10.996 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.252 -13.427 12.284 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.283 -15.007 10.785 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.529 -13.969 13.330 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.558 -15.556 11.825 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.684 -15.033 13.095 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.962 -15.576 14.133 1.00 0.00 O ATOM 0 H TYR A 72 -5.281 -11.640 8.607 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.827 -11.517 10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.957 -13.158 10.189 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.988 -14.062 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.914 -12.594 12.471 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.181 -15.418 9.791 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.625 -13.562 14.326 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.896 -16.390 11.645 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.417 -16.318 13.799 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.196 -11.661 8.267 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.150 -11.852 7.268 1.00 0.00 C ATOM 1052 C LEU A 73 0.869 -12.884 7.738 1.00 0.00 C ATOM 1053 O LEU A 73 0.798 -13.374 8.866 1.00 0.00 O ATOM 1054 CB LEU A 73 0.550 -10.524 6.973 1.00 0.00 C ATOM 1055 CG LEU A 73 1.303 -10.443 5.645 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.477 -11.054 4.524 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.659 -8.999 5.322 1.00 0.00 C ATOM 0 H LEU A 73 -0.966 -10.984 8.994 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.617 -12.220 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.197 -9.730 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.254 -10.320 7.780 1.00 0.00 H new ATOM 0 HG LEU A 73 2.228 -11.013 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.030 -10.987 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.273 -12.100 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.465 -10.513 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.195 -8.960 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.747 -8.407 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.291 -8.595 6.113 1.00 0.00 H new ATOM 1069 N CYS A 74 1.818 -13.209 6.867 1.00 0.00 N ATOM 1070 CA CYS A 74 2.855 -14.183 7.193 1.00 0.00 C ATOM 1071 C CYS A 74 3.105 -14.227 8.697 1.00 0.00 C ATOM 1072 O CYS A 74 3.936 -13.485 9.220 1.00 0.00 O ATOM 1073 CB CYS A 74 4.152 -13.844 6.458 1.00 0.00 C ATOM 1074 SG CYS A 74 5.234 -15.265 6.177 1.00 0.00 S ATOM 0 H CYS A 74 1.891 -12.813 5.930 1.00 0.00 H new ATOM 0 HA CYS A 74 2.510 -15.166 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.905 -13.393 5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.697 -13.094 7.031 1.00 0.00 H new ATOM 0 HG CYS A 74 6.304 -14.878 5.548 1.00 0.00 H new ATOM 1080 N ASN A 75 2.380 -15.101 9.387 1.00 0.00 N ATOM 1081 CA ASN A 75 2.522 -15.240 10.832 1.00 0.00 C ATOM 1082 C ASN A 75 2.824 -13.893 11.482 1.00 0.00 C ATOM 1083 O ASN A 75 3.769 -13.766 12.260 1.00 0.00 O ATOM 1084 CB ASN A 75 3.633 -16.238 11.163 1.00 0.00 C ATOM 1085 CG ASN A 75 3.298 -17.647 10.710 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.898 -18.168 9.771 1.00 0.00 O ATOM 1087 ND2 ASN A 75 2.334 -18.269 11.379 1.00 0.00 N ATOM 0 H ASN A 75 1.688 -15.724 8.969 1.00 0.00 H new ATOM 0 HA ASN A 75 1.578 -15.612 11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.560 -15.917 10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.810 -16.237 12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.064 -19.218 11.120 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.863 -17.798 12.152 1.00 0.00 H new ATOM 1094 N ARG A 76 2.015 -12.890 11.155 1.00 0.00 N ATOM 1095 CA ARG A 76 2.195 -11.552 11.706 1.00 0.00 C ATOM 1096 C ARG A 76 1.033 -10.643 11.318 1.00 0.00 C ATOM 1097 O ARG A 76 0.878 -10.252 10.161 1.00 0.00 O ATOM 1098 CB ARG A 76 3.514 -10.950 11.216 1.00 0.00 C ATOM 1099 CG ARG A 76 4.723 -11.396 12.021 1.00 0.00 C ATOM 1100 CD ARG A 76 5.762 -10.290 12.125 1.00 0.00 C ATOM 1101 NE ARG A 76 6.689 -10.512 13.231 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.585 -9.616 13.631 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.674 -8.444 13.017 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.393 -9.892 14.646 1.00 0.00 N ATOM 0 H ARG A 76 1.229 -12.979 10.511 1.00 0.00 H new ATOM 0 HA ARG A 76 2.222 -11.634 12.793 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.663 -11.224 10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.444 -9.863 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.406 -11.694 13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.170 -12.273 11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.320 -10.228 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.260 -9.332 12.260 1.00 0.00 H new ATOM 0 HE ARG A 76 6.646 -11.404 13.724 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.054 -8.229 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.362 -7.758 13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.327 -10.793 15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.081 -9.204 14.952 1.00 0.00 H new ATOM 1118 N PRO A 77 0.196 -10.298 12.307 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.967 -9.431 12.094 1.00 0.00 C ATOM 1120 C PRO A 77 -0.569 -7.990 11.796 1.00 0.00 C ATOM 1121 O PRO A 77 -0.043 -7.290 12.662 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.720 -9.514 13.424 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.677 -9.860 14.429 1.00 0.00 C ATOM 1124 CD PRO A 77 0.319 -10.727 13.710 1.00 0.00 C ATOM 0 HA PRO A 77 -1.558 -9.746 11.234 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.203 -8.567 13.665 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.503 -10.272 13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.201 -8.962 14.822 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.113 -10.387 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.330 -10.576 14.089 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.089 -11.786 13.828 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.823 -7.552 10.567 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.491 -6.193 10.157 1.00 0.00 C ATOM 1134 C ILE A 78 -1.683 -5.259 10.337 1.00 0.00 C ATOM 1135 O ILE A 78 -2.809 -5.705 10.562 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.033 -6.145 8.688 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.216 -6.403 7.752 1.00 0.00 C ATOM 1138 CG2 ILE A 78 1.074 -7.160 8.445 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -0.877 -6.232 6.288 1.00 0.00 C ATOM 0 H ILE A 78 -1.257 -8.118 9.838 1.00 0.00 H new ATOM 0 HA ILE A 78 0.328 -5.861 10.795 1.00 0.00 H new ATOM 0 HB ILE A 78 0.360 -5.150 8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.584 -7.416 7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.028 -5.723 8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.387 -7.114 7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.923 -6.933 9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.706 -8.161 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.762 -6.431 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.537 -5.212 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.086 -6.930 6.014 1.00 0.00 H new ATOM 1151 N THR A 79 -1.429 -3.958 10.235 1.00 0.00 N ATOM 1152 CA THR A 79 -2.480 -2.960 10.385 1.00 0.00 C ATOM 1153 C THR A 79 -2.388 -1.896 9.298 1.00 0.00 C ATOM 1154 O THR A 79 -1.302 -1.594 8.800 1.00 0.00 O ATOM 1155 CB THR A 79 -2.413 -2.276 11.764 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.475 -1.325 11.891 1.00 0.00 O ATOM 1157 CG2 THR A 79 -1.075 -1.578 11.957 1.00 0.00 C ATOM 0 H THR A 79 -0.504 -3.571 10.049 1.00 0.00 H new ATOM 0 HA THR A 79 -3.430 -3.486 10.294 1.00 0.00 H new ATOM 0 HB THR A 79 -2.519 -3.043 12.531 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.426 -0.896 12.771 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.051 -1.102 12.937 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.270 -2.310 11.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.944 -0.821 11.183 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.533 -1.328 8.932 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.580 -0.295 7.904 1.00 0.00 C ATOM 1167 C VAL A 80 -4.335 0.935 8.396 1.00 0.00 C ATOM 1168 O VAL A 80 -5.545 0.885 8.620 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.249 -0.814 6.618 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.064 0.180 5.481 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.691 -2.178 6.241 1.00 0.00 C ATOM 0 H VAL A 80 -4.440 -1.566 9.332 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.549 -0.020 7.683 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.318 -0.922 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.543 -0.204 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.516 1.134 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.000 0.323 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.175 -2.530 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.617 -2.098 6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.881 -2.885 7.049 1.00 0.00 H new ATOM 1181 N SER A 81 -3.614 2.039 8.561 1.00 0.00 N ATOM 1182 CA SER A 81 -4.215 3.282 9.029 1.00 0.00 C ATOM 1183 C SER A 81 -3.708 4.470 8.216 1.00 0.00 C ATOM 1184 O SER A 81 -2.535 4.528 7.845 1.00 0.00 O ATOM 1185 CB SER A 81 -3.906 3.496 10.512 1.00 0.00 C ATOM 1186 OG SER A 81 -4.432 2.441 11.299 1.00 0.00 O ATOM 0 H SER A 81 -2.612 2.098 8.377 1.00 0.00 H new ATOM 0 HA SER A 81 -5.294 3.207 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.828 3.559 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.328 4.445 10.842 1.00 0.00 H new ATOM 0 HG SER A 81 -4.220 2.600 12.243 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.600 5.415 7.944 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.246 6.601 7.173 1.00 0.00 C ATOM 1194 C TYR A 82 -2.985 7.256 7.730 1.00 0.00 C ATOM 1195 O TYR A 82 -3.007 7.856 8.804 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.401 7.604 7.181 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.399 7.387 6.066 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -6.065 7.658 4.745 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.676 6.908 6.334 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.975 7.462 3.724 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.591 6.707 5.319 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.236 6.986 4.015 1.00 0.00 C ATOM 1203 OH TYR A 82 -9.144 6.787 3.001 1.00 0.00 O ATOM 0 H TYR A 82 -5.574 5.383 8.246 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.050 6.291 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.919 7.541 8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.996 8.613 7.103 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.077 8.028 4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.958 6.689 7.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.700 7.681 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.579 6.334 5.545 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.984 6.448 3.376 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.888 7.137 6.989 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.619 7.719 7.406 1.00 0.00 C ATOM 1215 C ALA A 83 -0.819 9.113 7.990 1.00 0.00 C ATOM 1216 O ALA A 83 -0.458 9.375 9.138 1.00 0.00 O ATOM 1217 CB ALA A 83 0.349 7.770 6.233 1.00 0.00 C ATOM 0 H ALA A 83 -1.853 6.643 6.097 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.196 7.085 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.293 8.207 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.525 6.760 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.077 8.379 5.436 1.00 0.00 H new