USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 130:sc= 0.0273 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.257 X(o=-0.23,f=-0.29) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.649 K(o=1.4,f=-6.4!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -153:sc= 0.735 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -17:sc= 0.406 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00942 USER MOD Single : A 13 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : A 14 MET CE :methyl -160:sc= -0.0428 (180deg=-0.291) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00733) USER MOD Single : A 32 CYS SG : rot -170:sc= -0.664 USER MOD Single : A 33 ASN : amide:sc= 0.441 K(o=0.44,f=-7.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.787) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=-0.43) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.37) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0773 USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= 2.48 (180deg=0.717) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0716 USER MOD Single : A 75 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.34) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.891 10.684 -1.776 1.00 0.00 N ATOM 102 CA THR A 7 6.802 10.848 -3.225 1.00 0.00 C ATOM 103 C THR A 7 6.098 9.650 -3.878 1.00 0.00 C ATOM 104 O THR A 7 6.222 8.509 -3.427 1.00 0.00 O ATOM 105 CB THR A 7 8.213 11.101 -3.809 1.00 0.00 C ATOM 106 OG1 THR A 7 9.217 10.368 -3.113 1.00 0.00 O ATOM 107 CG2 THR A 7 8.609 12.580 -3.729 1.00 0.00 C ATOM 0 HA THR A 7 6.188 11.720 -3.451 1.00 0.00 H new ATOM 0 HB THR A 7 8.155 10.777 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.864 10.069 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.606 12.713 -4.149 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.894 13.179 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.609 12.901 -2.687 1.00 0.00 H new ATOM 115 N ASN A 8 5.354 9.929 -4.952 1.00 0.00 N ATOM 116 CA ASN A 8 4.770 8.941 -5.872 1.00 0.00 C ATOM 117 C ASN A 8 5.501 9.143 -7.185 1.00 0.00 C ATOM 118 O ASN A 8 5.576 10.286 -7.631 1.00 0.00 O ATOM 119 CB ASN A 8 3.257 9.186 -6.056 1.00 0.00 C ATOM 120 CG ASN A 8 2.424 7.970 -5.675 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.036 7.824 -4.521 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.145 7.074 -6.603 1.00 0.00 N ATOM 0 H ASN A 8 5.131 10.888 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 8 4.876 7.925 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.952 10.037 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.058 9.449 -7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.599 6.246 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.475 7.210 -7.559 1.00 0.00 H new ATOM 129 N THR A 9 6.001 8.079 -7.812 1.00 0.00 N ATOM 130 CA THR A 9 6.584 8.159 -9.147 1.00 0.00 C ATOM 131 C THR A 9 5.740 7.311 -10.090 1.00 0.00 C ATOM 132 O THR A 9 5.306 6.217 -9.726 1.00 0.00 O ATOM 133 CB THR A 9 8.078 7.770 -9.142 1.00 0.00 C ATOM 134 OG1 THR A 9 8.789 8.568 -8.212 1.00 0.00 O ATOM 135 CG2 THR A 9 8.750 7.859 -10.527 1.00 0.00 C ATOM 0 H THR A 9 6.013 7.142 -7.409 1.00 0.00 H new ATOM 0 HA THR A 9 6.567 9.189 -9.504 1.00 0.00 H new ATOM 0 HB THR A 9 8.114 6.721 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.735 8.311 -8.216 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.798 7.571 -10.442 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.244 7.188 -11.221 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.684 8.882 -10.898 1.00 0.00 H new ATOM 143 N TRP A 10 5.550 7.805 -11.309 1.00 0.00 N ATOM 144 CA TRP A 10 4.899 7.115 -12.409 1.00 0.00 C ATOM 145 C TRP A 10 5.800 7.256 -13.630 1.00 0.00 C ATOM 146 O TRP A 10 6.549 8.227 -13.727 1.00 0.00 O ATOM 147 CB TRP A 10 3.519 7.748 -12.657 1.00 0.00 C ATOM 148 CG TRP A 10 2.550 7.683 -11.519 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.687 6.676 -11.282 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.237 8.696 -10.520 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.922 6.951 -10.170 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.159 8.228 -9.713 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.705 9.997 -10.270 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.563 9.020 -8.722 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.093 10.817 -9.306 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.022 10.335 -8.530 1.00 0.00 C ATOM 0 H TRP A 10 5.862 8.742 -11.565 1.00 0.00 H new ATOM 0 HA TRP A 10 4.745 6.059 -12.188 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.665 8.795 -12.924 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.068 7.259 -13.520 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.606 5.780 -11.879 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.267 6.296 -9.742 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.549 10.374 -10.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.238 8.626 -8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.448 11.826 -9.159 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.556 10.971 -7.792 1.00 0.00 H new ATOM 167 N VAL A 11 5.718 6.314 -14.565 1.00 0.00 N ATOM 168 CA VAL A 11 6.343 6.422 -15.874 1.00 0.00 C ATOM 169 C VAL A 11 5.242 6.474 -16.935 1.00 0.00 C ATOM 170 O VAL A 11 4.237 5.768 -16.833 1.00 0.00 O ATOM 171 CB VAL A 11 7.425 5.343 -16.076 1.00 0.00 C ATOM 172 CG1 VAL A 11 6.872 3.910 -16.103 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.245 5.607 -17.353 1.00 0.00 C ATOM 0 H VAL A 11 5.207 5.442 -14.430 1.00 0.00 H new ATOM 0 HA VAL A 11 6.905 7.351 -15.969 1.00 0.00 H new ATOM 0 HB VAL A 11 8.072 5.418 -15.202 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.692 3.206 -16.249 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.373 3.695 -15.158 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.159 3.811 -16.921 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.000 4.829 -17.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.583 5.601 -18.219 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.734 6.578 -17.277 1.00 0.00 H new ATOM 183 N LEU A 12 5.433 7.331 -17.937 1.00 0.00 N ATOM 184 CA LEU A 12 4.522 7.579 -19.042 1.00 0.00 C ATOM 185 C LEU A 12 5.285 7.273 -20.306 1.00 0.00 C ATOM 186 O LEU A 12 6.215 7.993 -20.650 1.00 0.00 O ATOM 187 CB LEU A 12 4.067 9.053 -19.018 1.00 0.00 C ATOM 188 CG LEU A 12 2.618 9.294 -18.582 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.286 8.480 -17.334 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.433 10.793 -18.314 1.00 0.00 C ATOM 0 H LEU A 12 6.277 7.901 -17.998 1.00 0.00 H new ATOM 0 HA LEU A 12 3.628 6.958 -18.975 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.725 9.606 -18.348 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.201 9.472 -20.015 1.00 0.00 H new ATOM 0 HG LEU A 12 1.939 8.974 -19.373 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.252 8.667 -17.042 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.417 7.419 -17.546 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.951 8.773 -16.521 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.406 10.983 -18.002 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.116 11.109 -17.525 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.646 11.354 -19.224 1.00 0.00 H new ATOM 202 N HIS A 13 4.877 6.224 -21.001 1.00 0.00 N ATOM 203 CA HIS A 13 5.381 5.925 -22.326 1.00 0.00 C ATOM 204 C HIS A 13 4.431 6.588 -23.323 1.00 0.00 C ATOM 205 O HIS A 13 3.258 6.207 -23.385 1.00 0.00 O ATOM 206 CB HIS A 13 5.514 4.406 -22.524 1.00 0.00 C ATOM 207 CG HIS A 13 6.126 4.005 -23.847 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.059 4.706 -24.582 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.893 2.829 -24.512 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.384 3.968 -25.659 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.694 2.809 -25.665 1.00 0.00 N ATOM 0 H HIS A 13 4.186 5.556 -20.659 1.00 0.00 H new ATOM 0 HA HIS A 13 6.385 6.321 -22.478 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.122 3.997 -21.717 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.526 3.952 -22.441 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.437 5.624 -24.349 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.210 2.051 -24.202 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.098 4.263 -26.414 1.00 0.00 H new ATOM 219 N MET A 14 4.900 7.600 -24.059 1.00 0.00 N ATOM 220 CA MET A 14 4.095 8.389 -24.984 1.00 0.00 C ATOM 221 C MET A 14 4.978 8.820 -26.153 1.00 0.00 C ATOM 222 O MET A 14 6.115 9.234 -25.939 1.00 0.00 O ATOM 223 CB MET A 14 3.490 9.631 -24.297 1.00 0.00 C ATOM 224 CG MET A 14 2.650 9.316 -23.048 1.00 0.00 C ATOM 225 SD MET A 14 1.773 10.719 -22.300 1.00 0.00 S ATOM 226 CE MET A 14 3.125 11.898 -22.032 1.00 0.00 C ATOM 0 H MET A 14 5.875 7.897 -24.024 1.00 0.00 H new ATOM 0 HA MET A 14 3.266 7.776 -25.337 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.298 10.306 -24.016 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.866 10.162 -25.016 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.917 8.554 -23.311 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.306 8.880 -22.294 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.826 12.630 -21.282 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.010 11.364 -21.685 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.353 12.409 -22.967 1.00 0.00 H new ATOM 236 N ASP A 15 4.456 8.738 -27.381 1.00 0.00 N ATOM 237 CA ASP A 15 5.128 9.164 -28.618 1.00 0.00 C ATOM 238 C ASP A 15 6.560 8.610 -28.753 1.00 0.00 C ATOM 239 O ASP A 15 7.485 9.285 -29.209 1.00 0.00 O ATOM 240 CB ASP A 15 5.019 10.686 -28.801 1.00 0.00 C ATOM 241 CG ASP A 15 5.472 11.141 -30.204 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.081 10.505 -31.214 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.165 12.183 -30.312 1.00 0.00 O ATOM 0 H ASP A 15 3.523 8.361 -27.549 1.00 0.00 H new ATOM 0 HA ASP A 15 4.598 8.713 -29.457 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.987 10.997 -28.636 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.626 11.185 -28.046 1.00 0.00 H new ATOM 248 N GLY A 16 6.749 7.358 -28.317 1.00 0.00 N ATOM 249 CA GLY A 16 8.022 6.647 -28.371 1.00 0.00 C ATOM 250 C GLY A 16 9.010 7.052 -27.268 1.00 0.00 C ATOM 251 O GLY A 16 10.047 6.401 -27.125 1.00 0.00 O ATOM 0 H GLY A 16 5.998 6.802 -27.907 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.832 5.576 -28.299 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.485 6.824 -29.342 1.00 0.00 H new ATOM 255 N GLU A 17 8.705 8.079 -26.470 1.00 0.00 N ATOM 256 CA GLU A 17 9.497 8.543 -25.345 1.00 0.00 C ATOM 257 C GLU A 17 8.984 7.920 -24.044 1.00 0.00 C ATOM 258 O GLU A 17 7.880 7.368 -23.990 1.00 0.00 O ATOM 259 CB GLU A 17 9.514 10.086 -25.290 1.00 0.00 C ATOM 260 CG GLU A 17 10.462 10.660 -26.348 1.00 0.00 C ATOM 261 CD GLU A 17 10.597 12.191 -26.227 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.499 12.665 -25.492 1.00 0.00 O ATOM 263 OE2 GLU A 17 9.840 12.934 -26.899 1.00 0.00 O ATOM 0 H GLU A 17 7.857 8.631 -26.604 1.00 0.00 H new ATOM 0 HA GLU A 17 10.529 8.219 -25.476 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.507 10.471 -25.451 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.826 10.415 -24.299 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.444 10.199 -26.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.094 10.405 -27.342 1.00 0.00 H new ATOM 270 N ASN A 18 9.794 8.007 -22.986 1.00 0.00 N ATOM 271 CA ASN A 18 9.419 7.652 -21.626 1.00 0.00 C ATOM 272 C ASN A 18 9.657 8.874 -20.750 1.00 0.00 C ATOM 273 O ASN A 18 10.766 9.410 -20.711 1.00 0.00 O ATOM 274 CB ASN A 18 10.187 6.424 -21.112 1.00 0.00 C ATOM 275 CG ASN A 18 9.463 5.132 -21.477 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.631 4.643 -20.719 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.726 4.567 -22.646 1.00 0.00 N ATOM 0 H ASN A 18 10.756 8.337 -23.060 1.00 0.00 H new ATOM 0 HA ASN A 18 8.367 7.367 -21.597 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.191 6.415 -21.537 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.300 6.488 -20.030 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.235 3.717 -22.924 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.419 4.982 -23.268 1.00 0.00 H new ATOM 284 N PHE A 19 8.609 9.300 -20.050 1.00 0.00 N ATOM 285 CA PHE A 19 8.597 10.447 -19.150 1.00 0.00 C ATOM 286 C PHE A 19 8.458 9.930 -17.726 1.00 0.00 C ATOM 287 O PHE A 19 7.590 9.097 -17.473 1.00 0.00 O ATOM 288 CB PHE A 19 7.436 11.392 -19.508 1.00 0.00 C ATOM 289 CG PHE A 19 7.475 11.923 -20.931 1.00 0.00 C ATOM 290 CD1 PHE A 19 6.892 11.182 -21.979 1.00 0.00 C ATOM 291 CD2 PHE A 19 8.110 13.149 -21.216 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.971 11.646 -23.303 1.00 0.00 C ATOM 293 CE2 PHE A 19 8.190 13.609 -22.544 1.00 0.00 C ATOM 294 CZ PHE A 19 7.629 12.854 -23.588 1.00 0.00 C ATOM 0 H PHE A 19 7.704 8.832 -20.098 1.00 0.00 H new ATOM 0 HA PHE A 19 9.523 11.014 -19.245 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.494 10.865 -19.356 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.444 12.236 -18.818 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.383 10.254 -21.763 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.535 13.736 -20.415 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.525 11.073 -24.103 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.684 14.545 -22.761 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.704 13.202 -24.608 1.00 0.00 H new ATOM 304 N ARG A 20 9.274 10.409 -16.789 1.00 0.00 N ATOM 305 CA ARG A 20 9.078 10.155 -15.368 1.00 0.00 C ATOM 306 C ARG A 20 8.216 11.285 -14.827 1.00 0.00 C ATOM 307 O ARG A 20 8.447 12.446 -15.154 1.00 0.00 O ATOM 308 CB ARG A 20 10.421 10.035 -14.607 1.00 0.00 C ATOM 309 CG ARG A 20 10.571 8.709 -13.844 1.00 0.00 C ATOM 310 CD ARG A 20 10.690 7.471 -14.746 1.00 0.00 C ATOM 311 NE ARG A 20 11.874 7.537 -15.627 1.00 0.00 N ATOM 312 CZ ARG A 20 13.118 7.117 -15.345 1.00 0.00 C ATOM 313 NH1 ARG A 20 13.408 6.579 -14.163 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.076 7.245 -16.256 1.00 0.00 N ATOM 0 H ARG A 20 10.090 10.985 -16.997 1.00 0.00 H new ATOM 0 HA ARG A 20 8.581 9.196 -15.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.243 10.133 -15.316 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.507 10.863 -13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.454 8.767 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.712 8.583 -13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.749 6.576 -14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.790 7.379 -15.355 1.00 0.00 H new ATOM 0 HE ARG A 20 11.731 7.946 -16.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.680 6.481 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.358 6.265 -13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.865 7.660 -17.163 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.023 6.928 -16.048 1.00 0.00 H new ATOM 328 N ILE A 21 7.257 10.951 -13.977 1.00 0.00 N ATOM 329 CA ILE A 21 6.439 11.881 -13.226 1.00 0.00 C ATOM 330 C ILE A 21 6.792 11.595 -11.781 1.00 0.00 C ATOM 331 O ILE A 21 6.730 10.430 -11.399 1.00 0.00 O ATOM 332 CB ILE A 21 4.943 11.623 -13.480 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.602 11.654 -14.980 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.034 12.541 -12.641 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.776 12.993 -15.690 1.00 0.00 C ATOM 0 H ILE A 21 7.020 9.978 -13.786 1.00 0.00 H new ATOM 0 HA ILE A 21 6.620 12.918 -13.507 1.00 0.00 H new ATOM 0 HB ILE A 21 4.736 10.609 -13.137 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.224 10.916 -15.487 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.567 11.336 -15.101 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.990 12.317 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.227 12.374 -11.581 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.241 13.582 -12.888 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.505 12.886 -16.740 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.132 13.739 -15.223 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.815 13.312 -15.615 1.00 0.00 H new ATOM 347 N VAL A 22 7.089 12.602 -10.972 1.00 0.00 N ATOM 348 CA VAL A 22 7.242 12.454 -9.542 1.00 0.00 C ATOM 349 C VAL A 22 6.395 13.536 -8.887 1.00 0.00 C ATOM 350 O VAL A 22 6.635 14.724 -9.096 1.00 0.00 O ATOM 351 CB VAL A 22 8.726 12.493 -9.124 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.869 12.147 -7.634 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.605 11.526 -9.929 1.00 0.00 C ATOM 0 H VAL A 22 7.231 13.557 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 22 6.893 11.477 -9.207 1.00 0.00 H new ATOM 0 HB VAL A 22 9.068 13.508 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.922 12.178 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.312 12.870 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.475 11.147 -7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.637 11.602 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.249 10.506 -9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.554 11.783 -10.987 1.00 0.00 H new ATOM 363 N LEU A 23 5.394 13.129 -8.112 1.00 0.00 N ATOM 364 CA LEU A 23 4.643 14.037 -7.251 1.00 0.00 C ATOM 365 C LEU A 23 5.347 14.097 -5.903 1.00 0.00 C ATOM 366 O LEU A 23 5.502 13.062 -5.255 1.00 0.00 O ATOM 367 CB LEU A 23 3.196 13.540 -7.090 1.00 0.00 C ATOM 368 CG LEU A 23 2.405 14.219 -5.945 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.158 15.703 -6.212 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.054 13.532 -5.740 1.00 0.00 C ATOM 0 H LEU A 23 5.080 12.160 -8.063 1.00 0.00 H new ATOM 0 HA LEU A 23 4.603 15.033 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.664 13.702 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.213 12.464 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 23 3.018 14.123 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.600 16.134 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.113 16.218 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.584 15.817 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.514 14.025 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.470 13.597 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.214 12.484 -5.485 1.00 0.00 H new ATOM 382 N GLU A 24 5.730 15.295 -5.475 1.00 0.00 N ATOM 383 CA GLU A 24 6.196 15.580 -4.131 1.00 0.00 C ATOM 384 C GLU A 24 4.932 15.855 -3.321 1.00 0.00 C ATOM 385 O GLU A 24 4.257 16.861 -3.556 1.00 0.00 O ATOM 386 CB GLU A 24 7.159 16.787 -4.178 1.00 0.00 C ATOM 387 CG GLU A 24 8.575 16.408 -3.746 1.00 0.00 C ATOM 388 CD GLU A 24 8.751 16.280 -2.222 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.871 15.702 -1.543 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.798 16.756 -1.715 1.00 0.00 O ATOM 0 H GLU A 24 5.723 16.118 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 24 6.757 14.764 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.185 17.191 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.781 17.577 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.845 15.461 -4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.271 17.159 -4.120 1.00 0.00 H new ATOM 397 N LYS A 25 4.564 14.955 -2.402 1.00 0.00 N ATOM 398 CA LYS A 25 3.275 15.035 -1.708 1.00 0.00 C ATOM 399 C LYS A 25 3.284 16.123 -0.638 1.00 0.00 C ATOM 400 O LYS A 25 2.224 16.643 -0.293 1.00 0.00 O ATOM 401 CB LYS A 25 2.916 13.686 -1.077 1.00 0.00 C ATOM 402 CG LYS A 25 2.600 12.622 -2.141 1.00 0.00 C ATOM 403 CD LYS A 25 2.565 11.234 -1.492 1.00 0.00 C ATOM 404 CE LYS A 25 1.968 10.188 -2.444 1.00 0.00 C ATOM 405 NZ LYS A 25 1.949 8.816 -1.851 1.00 0.00 N ATOM 0 H LYS A 25 5.142 14.162 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 25 2.520 15.293 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.744 13.344 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.055 13.810 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.641 12.838 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.353 12.647 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.575 10.937 -1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.976 11.273 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.951 10.480 -2.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.545 10.172 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.986 8.108 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.772 8.696 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.076 8.688 -1.301 1.00 0.00 H new ATOM 419 N ASP A 26 4.460 16.481 -0.113 1.00 0.00 N ATOM 420 CA ASP A 26 4.567 17.516 0.914 1.00 0.00 C ATOM 421 C ASP A 26 4.149 18.874 0.345 1.00 0.00 C ATOM 422 O ASP A 26 3.412 19.624 0.991 1.00 0.00 O ATOM 423 CB ASP A 26 5.998 17.605 1.450 1.00 0.00 C ATOM 424 CG ASP A 26 6.114 18.726 2.496 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.621 18.545 3.637 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.720 19.782 2.191 1.00 0.00 O ATOM 0 H ASP A 26 5.352 16.067 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 26 3.901 17.247 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.285 16.653 1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.689 17.794 0.628 1.00 0.00 H new ATOM 431 N ALA A 27 4.586 19.164 -0.889 1.00 0.00 N ATOM 432 CA ALA A 27 4.321 20.407 -1.595 1.00 0.00 C ATOM 433 C ALA A 27 3.128 20.310 -2.561 1.00 0.00 C ATOM 434 O ALA A 27 2.637 21.345 -3.019 1.00 0.00 O ATOM 435 CB ALA A 27 5.593 20.828 -2.341 1.00 0.00 C ATOM 0 H ALA A 27 5.151 18.512 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 27 4.044 21.161 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.410 21.760 -2.876 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.403 20.973 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.872 20.050 -3.052 1.00 0.00 H new ATOM 441 N MET A 28 2.666 19.092 -2.874 1.00 0.00 N ATOM 442 CA MET A 28 1.703 18.801 -3.931 1.00 0.00 C ATOM 443 C MET A 28 2.186 19.430 -5.248 1.00 0.00 C ATOM 444 O MET A 28 1.456 20.159 -5.925 1.00 0.00 O ATOM 445 CB MET A 28 0.252 19.124 -3.530 1.00 0.00 C ATOM 446 CG MET A 28 -0.272 18.165 -2.451 1.00 0.00 C ATOM 447 SD MET A 28 -0.307 16.395 -2.887 1.00 0.00 S ATOM 448 CE MET A 28 -1.565 16.366 -4.195 1.00 0.00 C ATOM 0 H MET A 28 2.967 18.254 -2.376 1.00 0.00 H new ATOM 0 HA MET A 28 1.661 17.725 -4.099 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.197 20.149 -3.163 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.389 19.066 -4.410 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.343 18.285 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.283 18.471 -2.184 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.717 15.340 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.503 16.763 -3.807 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.232 16.977 -5.034 1.00 0.00 H new ATOM 458 N ASP A 29 3.456 19.169 -5.580 1.00 0.00 N ATOM 459 CA ASP A 29 4.171 19.753 -6.711 1.00 0.00 C ATOM 460 C ASP A 29 4.686 18.624 -7.595 1.00 0.00 C ATOM 461 O ASP A 29 5.091 17.580 -7.071 1.00 0.00 O ATOM 462 CB ASP A 29 5.328 20.625 -6.211 1.00 0.00 C ATOM 463 CG ASP A 29 5.889 21.588 -7.268 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.319 21.727 -8.375 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.883 22.285 -6.952 1.00 0.00 O ATOM 0 H ASP A 29 4.032 18.520 -5.045 1.00 0.00 H new ATOM 0 HA ASP A 29 3.501 20.389 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.988 21.203 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.132 19.978 -5.861 1.00 0.00 H new ATOM 470 N VAL A 30 4.657 18.794 -8.917 1.00 0.00 N ATOM 471 CA VAL A 30 4.968 17.726 -9.857 1.00 0.00 C ATOM 472 C VAL A 30 6.260 18.042 -10.606 1.00 0.00 C ATOM 473 O VAL A 30 6.388 19.086 -11.249 1.00 0.00 O ATOM 474 CB VAL A 30 3.749 17.407 -10.755 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.547 18.332 -11.965 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.824 15.954 -11.247 1.00 0.00 C ATOM 0 H VAL A 30 4.416 19.679 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 30 5.164 16.798 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 30 2.887 17.576 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.665 18.015 -12.522 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.410 19.357 -11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.422 18.281 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.962 15.739 -11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.739 15.811 -11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.824 15.279 -10.391 1.00 0.00 H new ATOM 486 N TRP A 31 7.223 17.127 -10.516 1.00 0.00 N ATOM 487 CA TRP A 31 8.429 17.111 -11.307 1.00 0.00 C ATOM 488 C TRP A 31 8.125 16.172 -12.473 1.00 0.00 C ATOM 489 O TRP A 31 7.934 14.975 -12.249 1.00 0.00 O ATOM 490 CB TRP A 31 9.598 16.580 -10.447 1.00 0.00 C ATOM 491 CG TRP A 31 9.639 17.006 -9.009 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.274 16.265 -7.939 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.095 18.272 -8.456 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.501 16.973 -6.780 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.018 18.221 -7.035 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.575 19.457 -9.028 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.415 19.291 -6.221 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.997 20.536 -8.225 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.918 20.455 -6.821 1.00 0.00 C ATOM 0 H TRP A 31 7.172 16.348 -9.859 1.00 0.00 H new ATOM 0 HA TRP A 31 8.720 18.099 -11.663 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.571 15.491 -10.476 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.531 16.889 -10.918 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.865 15.266 -7.986 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.309 16.615 -5.845 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.623 19.546 -10.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.335 19.220 -5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.384 21.431 -8.690 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.243 21.284 -6.210 1.00 0.00 H new ATOM 510 N CYS A 32 8.072 16.666 -13.708 1.00 0.00 N ATOM 511 CA CYS A 32 7.962 15.828 -14.891 1.00 0.00 C ATOM 512 C CYS A 32 9.323 15.914 -15.587 1.00 0.00 C ATOM 513 O CYS A 32 9.786 17.012 -15.897 1.00 0.00 O ATOM 514 CB CYS A 32 6.766 16.310 -15.712 1.00 0.00 C ATOM 515 SG CYS A 32 5.264 16.202 -14.684 1.00 0.00 S ATOM 0 H CYS A 32 8.105 17.665 -13.913 1.00 0.00 H new ATOM 0 HA CYS A 32 7.760 14.775 -14.693 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.924 17.337 -16.042 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.654 15.701 -16.609 1.00 0.00 H new ATOM 0 HG CYS A 32 4.215 16.406 -15.425 1.00 0.00 H new ATOM 521 N ASN A 33 9.999 14.772 -15.770 1.00 0.00 N ATOM 522 CA ASN A 33 11.401 14.688 -16.206 1.00 0.00 C ATOM 523 C ASN A 33 12.299 15.641 -15.393 1.00 0.00 C ATOM 524 O ASN A 33 13.177 16.319 -15.930 1.00 0.00 O ATOM 525 CB ASN A 33 11.544 14.808 -17.741 1.00 0.00 C ATOM 526 CG ASN A 33 11.197 13.515 -18.470 1.00 0.00 C ATOM 527 OD1 ASN A 33 10.810 12.523 -17.864 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.326 13.479 -19.785 1.00 0.00 N ATOM 0 H ASN A 33 9.576 13.857 -15.615 1.00 0.00 H new ATOM 0 HA ASN A 33 11.771 13.687 -15.982 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.896 15.607 -18.100 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.567 15.094 -17.985 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.103 12.625 -20.296 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.648 14.305 -20.289 1.00 0.00 H new ATOM 535 N GLY A 34 12.054 15.714 -14.076 1.00 0.00 N ATOM 536 CA GLY A 34 12.863 16.480 -13.127 1.00 0.00 C ATOM 537 C GLY A 34 12.593 17.990 -13.120 1.00 0.00 C ATOM 538 O GLY A 34 13.155 18.689 -12.275 1.00 0.00 O ATOM 0 H GLY A 34 11.271 15.231 -13.636 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.688 16.090 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.916 16.315 -13.354 1.00 0.00 H new ATOM 542 N LYS A 35 11.736 18.510 -14.009 1.00 0.00 N ATOM 543 CA LYS A 35 11.411 19.939 -14.104 1.00 0.00 C ATOM 544 C LYS A 35 9.965 20.147 -13.674 1.00 0.00 C ATOM 545 O LYS A 35 9.114 19.303 -13.959 1.00 0.00 O ATOM 546 CB LYS A 35 11.634 20.431 -15.545 1.00 0.00 C ATOM 547 CG LYS A 35 13.111 20.357 -15.965 1.00 0.00 C ATOM 548 CD LYS A 35 13.277 20.775 -17.431 1.00 0.00 C ATOM 549 CE LYS A 35 14.758 20.723 -17.838 1.00 0.00 C ATOM 550 NZ LYS A 35 14.976 21.133 -19.249 1.00 0.00 N ATOM 0 H LYS A 35 11.241 17.939 -14.694 1.00 0.00 H new ATOM 0 HA LYS A 35 12.062 20.516 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.034 19.831 -16.229 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.285 21.460 -15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.709 21.007 -15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.484 19.342 -15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.694 20.115 -18.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.889 21.783 -17.575 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.335 21.374 -17.181 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.135 19.710 -17.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.990 21.080 -19.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.449 20.497 -19.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.642 22.109 -19.383 1.00 0.00 H new ATOM 564 N LYS A 36 9.652 21.258 -13.003 1.00 0.00 N ATOM 565 CA LYS A 36 8.259 21.602 -12.747 1.00 0.00 C ATOM 566 C LYS A 36 7.569 22.014 -14.039 1.00 0.00 C ATOM 567 O LYS A 36 8.190 22.605 -14.927 1.00 0.00 O ATOM 568 CB LYS A 36 8.168 22.738 -11.729 1.00 0.00 C ATOM 569 CG LYS A 36 8.579 22.257 -10.333 1.00 0.00 C ATOM 570 CD LYS A 36 9.252 23.371 -9.533 1.00 0.00 C ATOM 571 CE LYS A 36 8.417 24.650 -9.343 1.00 0.00 C ATOM 572 NZ LYS A 36 7.097 24.388 -8.711 1.00 0.00 N ATOM 0 H LYS A 36 10.333 21.922 -12.634 1.00 0.00 H new ATOM 0 HA LYS A 36 7.759 20.723 -12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.812 23.561 -12.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.149 23.124 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.700 21.902 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.260 21.411 -10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.514 22.980 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.185 23.638 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.976 25.355 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.263 25.125 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.774 25.243 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.406 24.132 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.187 23.606 -8.031 1.00 0.00 H new ATOM 586 N LEU A 37 6.269 21.745 -14.106 1.00 0.00 N ATOM 587 CA LEU A 37 5.345 22.228 -15.119 1.00 0.00 C ATOM 588 C LEU A 37 4.034 22.615 -14.432 1.00 0.00 C ATOM 589 O LEU A 37 3.847 22.335 -13.244 1.00 0.00 O ATOM 590 CB LEU A 37 5.205 21.235 -16.274 1.00 0.00 C ATOM 591 CG LEU A 37 4.804 19.800 -15.916 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.353 19.626 -15.466 1.00 0.00 C ATOM 593 CD2 LEU A 37 5.055 18.925 -17.151 1.00 0.00 C ATOM 0 H LEU A 37 5.810 21.151 -13.416 1.00 0.00 H new ATOM 0 HA LEU A 37 5.731 23.126 -15.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.465 21.629 -16.971 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.156 21.198 -16.805 1.00 0.00 H new ATOM 0 HG LEU A 37 5.408 19.509 -15.057 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.167 18.577 -15.235 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.173 20.231 -14.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.684 19.946 -16.264 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.779 17.894 -16.929 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.454 19.290 -17.984 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.111 18.968 -17.419 1.00 0.00 H new ATOM 605 N GLU A 38 3.158 23.311 -15.153 1.00 0.00 N ATOM 606 CA GLU A 38 1.963 23.910 -14.573 1.00 0.00 C ATOM 607 C GLU A 38 0.953 22.836 -14.152 1.00 0.00 C ATOM 608 O GLU A 38 0.780 21.821 -14.832 1.00 0.00 O ATOM 609 CB GLU A 38 1.363 24.977 -15.505 1.00 0.00 C ATOM 610 CG GLU A 38 0.808 24.438 -16.832 1.00 0.00 C ATOM 611 CD GLU A 38 0.317 25.587 -17.733 1.00 0.00 C ATOM 612 OE1 GLU A 38 -0.867 25.995 -17.623 1.00 0.00 O ATOM 613 OE2 GLU A 38 1.107 26.082 -18.572 1.00 0.00 O ATOM 0 H GLU A 38 3.258 23.474 -16.155 1.00 0.00 H new ATOM 0 HA GLU A 38 2.249 24.433 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.562 25.492 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.130 25.720 -15.724 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.581 23.870 -17.350 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.014 23.750 -16.634 1.00 0.00 H new ATOM 620 N THR A 39 0.272 23.091 -13.039 1.00 0.00 N ATOM 621 CA THR A 39 -0.735 22.227 -12.427 1.00 0.00 C ATOM 622 C THR A 39 -1.901 23.094 -11.942 1.00 0.00 C ATOM 623 O THR A 39 -1.708 24.256 -11.570 1.00 0.00 O ATOM 624 CB THR A 39 -0.128 21.403 -11.270 1.00 0.00 C ATOM 625 OG1 THR A 39 0.892 22.092 -10.555 1.00 0.00 O ATOM 626 CG2 THR A 39 0.462 20.088 -11.786 1.00 0.00 C ATOM 0 H THR A 39 0.415 23.952 -12.511 1.00 0.00 H new ATOM 0 HA THR A 39 -1.102 21.514 -13.166 1.00 0.00 H new ATOM 0 HB THR A 39 -0.957 21.218 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.233 21.519 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.883 19.526 -10.952 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.322 19.499 -12.261 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.246 20.301 -12.513 1.00 0.00 H new ATOM 634 N ALA A 40 -3.103 22.516 -11.916 1.00 0.00 N ATOM 635 CA ALA A 40 -4.286 23.096 -11.289 1.00 0.00 C ATOM 636 C ALA A 40 -4.905 22.000 -10.434 1.00 0.00 C ATOM 637 O ALA A 40 -5.004 20.865 -10.895 1.00 0.00 O ATOM 638 CB ALA A 40 -5.269 23.614 -12.343 1.00 0.00 C ATOM 0 H ALA A 40 -3.283 21.607 -12.343 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.023 23.957 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.141 24.041 -11.848 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.784 24.380 -12.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.583 22.790 -12.984 1.00 0.00 H new ATOM 644 N GLY A 41 -5.289 22.317 -9.202 1.00 0.00 N ATOM 645 CA GLY A 41 -5.808 21.355 -8.239 1.00 0.00 C ATOM 646 C GLY A 41 -7.312 21.515 -8.215 1.00 0.00 C ATOM 647 O GLY A 41 -7.824 22.354 -7.470 1.00 0.00 O ATOM 0 H GLY A 41 -5.247 23.269 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.533 20.339 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.386 21.534 -7.250 1.00 0.00 H new ATOM 651 N GLU A 42 -8.016 20.771 -9.063 1.00 0.00 N ATOM 652 CA GLU A 42 -9.462 20.808 -9.109 1.00 0.00 C ATOM 653 C GLU A 42 -10.003 19.973 -7.953 1.00 0.00 C ATOM 654 O GLU A 42 -9.459 18.910 -7.645 1.00 0.00 O ATOM 655 CB GLU A 42 -9.937 20.284 -10.465 1.00 0.00 C ATOM 656 CG GLU A 42 -11.442 20.370 -10.693 1.00 0.00 C ATOM 657 CD GLU A 42 -11.986 21.806 -10.574 1.00 0.00 C ATOM 658 OE1 GLU A 42 -12.215 22.284 -9.435 1.00 0.00 O ATOM 659 OE2 GLU A 42 -12.194 22.467 -11.621 1.00 0.00 O ATOM 0 H GLU A 42 -7.595 20.129 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.834 21.827 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.432 20.844 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.628 19.244 -10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.677 19.979 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.951 19.733 -9.969 1.00 0.00 H new ATOM 666 N PHE A 43 -11.081 20.431 -7.325 1.00 0.00 N ATOM 667 CA PHE A 43 -11.724 19.720 -6.229 1.00 0.00 C ATOM 668 C PHE A 43 -13.026 19.125 -6.743 1.00 0.00 C ATOM 669 O PHE A 43 -13.784 19.798 -7.452 1.00 0.00 O ATOM 670 CB PHE A 43 -11.960 20.642 -5.032 1.00 0.00 C ATOM 671 CG PHE A 43 -12.397 19.893 -3.790 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.449 19.165 -3.042 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.751 19.887 -3.397 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.852 18.436 -1.909 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.150 19.156 -2.263 1.00 0.00 C ATOM 676 CZ PHE A 43 -13.203 18.431 -1.520 1.00 0.00 C ATOM 0 H PHE A 43 -11.535 21.312 -7.565 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.074 18.919 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.043 21.191 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.719 21.380 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.411 19.167 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.481 20.443 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.124 17.880 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.187 19.152 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.513 17.870 -0.651 1.00 0.00 H new ATOM 686 N VAL A 44 -13.294 17.874 -6.383 1.00 0.00 N ATOM 687 CA VAL A 44 -14.437 17.116 -6.838 1.00 0.00 C ATOM 688 C VAL A 44 -15.107 16.410 -5.663 1.00 0.00 C ATOM 689 O VAL A 44 -14.524 16.267 -4.586 1.00 0.00 O ATOM 690 CB VAL A 44 -13.993 16.125 -7.933 1.00 0.00 C ATOM 691 CG1 VAL A 44 -13.979 16.817 -9.295 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.653 15.424 -7.664 1.00 0.00 C ATOM 0 H VAL A 44 -12.696 17.349 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.177 17.788 -7.272 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.735 15.326 -7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.664 16.108 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.979 17.182 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.284 17.656 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.425 14.747 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.863 16.170 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.719 14.856 -6.736 1.00 0.00 H new ATOM 702 N ASP A 45 -16.322 15.912 -5.899 1.00 0.00 N ATOM 703 CA ASP A 45 -17.118 15.142 -4.936 1.00 0.00 C ATOM 704 C ASP A 45 -16.601 13.696 -4.851 1.00 0.00 C ATOM 705 O ASP A 45 -17.325 12.715 -5.030 1.00 0.00 O ATOM 706 CB ASP A 45 -18.615 15.244 -5.263 1.00 0.00 C ATOM 707 CG ASP A 45 -19.489 14.529 -4.211 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.219 14.656 -2.991 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.495 13.887 -4.601 1.00 0.00 O ATOM 0 H ASP A 45 -16.796 16.036 -6.794 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.000 15.569 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.903 16.294 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.802 14.809 -6.245 1.00 0.00 H new ATOM 714 N ASP A 46 -15.286 13.584 -4.686 1.00 0.00 N ATOM 715 CA ASP A 46 -14.477 12.376 -4.776 1.00 0.00 C ATOM 716 C ASP A 46 -13.121 12.573 -4.084 1.00 0.00 C ATOM 717 O ASP A 46 -12.574 11.628 -3.512 1.00 0.00 O ATOM 718 CB ASP A 46 -14.228 12.090 -6.260 1.00 0.00 C ATOM 719 CG ASP A 46 -13.240 10.942 -6.489 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.660 9.765 -6.413 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.080 11.229 -6.872 1.00 0.00 O ATOM 0 H ASP A 46 -14.715 14.401 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.001 11.553 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.175 11.849 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.847 12.992 -6.739 1.00 0.00 H new ATOM 726 N GLY A 47 -12.572 13.796 -4.113 1.00 0.00 N ATOM 727 CA GLY A 47 -11.227 14.095 -3.666 1.00 0.00 C ATOM 728 C GLY A 47 -10.711 15.266 -4.492 1.00 0.00 C ATOM 729 O GLY A 47 -11.435 16.240 -4.707 1.00 0.00 O ATOM 0 H GLY A 47 -13.072 14.615 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.224 14.345 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.581 13.226 -3.790 1.00 0.00 H new ATOM 733 N THR A 48 -9.487 15.155 -5.005 1.00 0.00 N ATOM 734 CA THR A 48 -8.843 16.207 -5.779 1.00 0.00 C ATOM 735 C THR A 48 -8.356 15.588 -7.089 1.00 0.00 C ATOM 736 O THR A 48 -8.038 14.399 -7.137 1.00 0.00 O ATOM 737 CB THR A 48 -7.697 16.857 -4.967 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.979 16.905 -3.572 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.385 18.291 -5.402 1.00 0.00 C ATOM 0 H THR A 48 -8.910 14.321 -4.892 1.00 0.00 H new ATOM 0 HA THR A 48 -9.544 17.011 -6.005 1.00 0.00 H new ATOM 0 HB THR A 48 -6.839 16.214 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.228 17.321 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.573 18.687 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.088 18.297 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.272 18.912 -5.273 1.00 0.00 H new ATOM 747 N GLU A 49 -8.282 16.385 -8.149 1.00 0.00 N ATOM 748 CA GLU A 49 -7.704 16.009 -9.426 1.00 0.00 C ATOM 749 C GLU A 49 -6.724 17.119 -9.811 1.00 0.00 C ATOM 750 O GLU A 49 -7.126 18.232 -10.145 1.00 0.00 O ATOM 751 CB GLU A 49 -8.799 15.724 -10.476 1.00 0.00 C ATOM 752 CG GLU A 49 -9.504 14.388 -10.165 1.00 0.00 C ATOM 753 CD GLU A 49 -10.666 13.988 -11.100 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.173 14.814 -11.897 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.115 12.819 -10.989 1.00 0.00 O ATOM 0 H GLU A 49 -8.636 17.342 -8.139 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.155 15.069 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.527 16.535 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.357 15.687 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.757 13.594 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.887 14.433 -9.145 1.00 0.00 H new ATOM 762 N THR A 50 -5.423 16.837 -9.707 1.00 0.00 N ATOM 763 CA THR A 50 -4.374 17.773 -10.100 1.00 0.00 C ATOM 764 C THR A 50 -4.165 17.599 -11.599 1.00 0.00 C ATOM 765 O THR A 50 -3.525 16.629 -11.997 1.00 0.00 O ATOM 766 CB THR A 50 -3.099 17.542 -9.272 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.343 17.878 -7.916 1.00 0.00 O ATOM 768 CG2 THR A 50 -1.908 18.369 -9.776 1.00 0.00 C ATOM 0 H THR A 50 -5.070 15.951 -9.347 1.00 0.00 H new ATOM 0 HA THR A 50 -4.657 18.806 -9.899 1.00 0.00 H new ATOM 0 HB THR A 50 -2.842 16.488 -9.374 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.530 17.728 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.036 18.166 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.689 18.099 -10.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.153 19.430 -9.723 1.00 0.00 H new ATOM 776 N HIS A 51 -4.716 18.492 -12.417 1.00 0.00 N ATOM 777 CA HIS A 51 -4.673 18.424 -13.872 1.00 0.00 C ATOM 778 C HIS A 51 -3.385 19.058 -14.395 1.00 0.00 C ATOM 779 O HIS A 51 -2.926 20.057 -13.834 1.00 0.00 O ATOM 780 CB HIS A 51 -5.897 19.135 -14.474 1.00 0.00 C ATOM 781 CG HIS A 51 -7.218 18.444 -14.223 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.775 17.458 -15.008 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.114 18.711 -13.218 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.957 17.114 -14.466 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.215 17.862 -13.379 1.00 0.00 N ATOM 0 H HIS A 51 -5.221 19.309 -12.072 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.693 17.376 -14.172 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.949 20.145 -14.068 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.751 19.230 -15.550 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.991 19.448 -12.438 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.609 16.344 -14.851 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.046 17.819 -12.790 1.00 0.00 H new ATOM 793 N PHE A 52 -2.826 18.503 -15.473 1.00 0.00 N ATOM 794 CA PHE A 52 -1.728 19.061 -16.258 1.00 0.00 C ATOM 795 C PHE A 52 -1.767 18.434 -17.661 1.00 0.00 C ATOM 796 O PHE A 52 -2.646 17.622 -17.956 1.00 0.00 O ATOM 797 CB PHE A 52 -0.380 18.831 -15.549 1.00 0.00 C ATOM 798 CG PHE A 52 -0.032 17.411 -15.142 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.498 16.914 -13.910 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.826 16.622 -15.934 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.097 15.649 -13.460 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.228 15.352 -15.476 1.00 0.00 C ATOM 803 CZ PHE A 52 0.777 14.870 -14.235 1.00 0.00 C ATOM 0 H PHE A 52 -3.145 17.606 -15.839 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.841 20.141 -16.356 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.411 19.196 -16.205 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.362 19.451 -14.653 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.168 17.511 -13.309 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.174 16.989 -16.888 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.461 15.273 -12.515 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.886 14.746 -16.081 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.102 13.904 -13.879 1.00 0.00 H new ATOM 813 N SER A 53 -0.820 18.787 -18.531 1.00 0.00 N ATOM 814 CA SER A 53 -0.680 18.209 -19.864 1.00 0.00 C ATOM 815 C SER A 53 0.805 18.125 -20.218 1.00 0.00 C ATOM 816 O SER A 53 1.603 18.949 -19.759 1.00 0.00 O ATOM 817 CB SER A 53 -1.419 19.036 -20.930 1.00 0.00 C ATOM 818 OG SER A 53 -2.791 19.227 -20.605 1.00 0.00 O ATOM 0 H SER A 53 -0.117 19.496 -18.323 1.00 0.00 H new ATOM 0 HA SER A 53 -1.127 17.215 -19.851 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.934 20.006 -21.036 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.342 18.534 -21.895 1.00 0.00 H new ATOM 0 HG SER A 53 -3.223 19.758 -21.307 1.00 0.00 H new ATOM 824 N ILE A 54 1.165 17.137 -21.036 1.00 0.00 N ATOM 825 CA ILE A 54 2.509 16.895 -21.546 1.00 0.00 C ATOM 826 C ILE A 54 2.304 16.668 -23.043 1.00 0.00 C ATOM 827 O ILE A 54 1.625 15.717 -23.439 1.00 0.00 O ATOM 828 CB ILE A 54 3.127 15.681 -20.810 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.397 16.007 -19.323 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.441 15.212 -21.472 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.386 14.764 -18.435 1.00 0.00 C ATOM 0 H ILE A 54 0.492 16.451 -21.377 1.00 0.00 H new ATOM 0 HA ILE A 54 3.210 17.713 -21.381 1.00 0.00 H new ATOM 0 HB ILE A 54 2.396 14.875 -20.877 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.363 16.503 -19.234 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.644 16.710 -18.967 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.840 14.359 -20.924 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.245 14.921 -22.504 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.167 16.025 -21.456 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.581 15.053 -17.402 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.411 14.280 -18.499 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.158 14.071 -18.770 1.00 0.00 H new ATOM 843 N GLY A 55 2.844 17.559 -23.880 1.00 0.00 N ATOM 844 CA GLY A 55 2.532 17.561 -25.304 1.00 0.00 C ATOM 845 C GLY A 55 1.019 17.721 -25.488 1.00 0.00 C ATOM 846 O GLY A 55 0.395 18.566 -24.837 1.00 0.00 O ATOM 0 H GLY A 55 3.499 18.286 -23.592 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.059 18.374 -25.803 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.870 16.632 -25.764 1.00 0.00 H new ATOM 850 N ASN A 56 0.425 16.882 -26.340 1.00 0.00 N ATOM 851 CA ASN A 56 -1.017 16.872 -26.602 1.00 0.00 C ATOM 852 C ASN A 56 -1.802 16.044 -25.567 1.00 0.00 C ATOM 853 O ASN A 56 -3.031 15.976 -25.639 1.00 0.00 O ATOM 854 CB ASN A 56 -1.263 16.356 -28.029 1.00 0.00 C ATOM 855 CG ASN A 56 -2.711 16.565 -28.480 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.276 17.648 -28.330 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.334 15.559 -29.077 1.00 0.00 N ATOM 0 H ASN A 56 0.938 16.181 -26.874 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.387 17.893 -26.510 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.592 16.868 -28.719 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.019 15.295 -28.076 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.288 15.679 -29.416 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.859 14.664 -29.198 1.00 0.00 H new ATOM 864 N HIS A 57 -1.121 15.374 -24.628 1.00 0.00 N ATOM 865 CA HIS A 57 -1.739 14.417 -23.713 1.00 0.00 C ATOM 866 C HIS A 57 -2.093 15.147 -22.423 1.00 0.00 C ATOM 867 O HIS A 57 -1.201 15.697 -21.774 1.00 0.00 O ATOM 868 CB HIS A 57 -0.787 13.238 -23.449 1.00 0.00 C ATOM 869 CG HIS A 57 -0.252 12.594 -24.707 1.00 0.00 C ATOM 870 ND1 HIS A 57 -0.926 11.726 -25.540 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.988 12.797 -25.252 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.104 11.412 -26.559 1.00 0.00 C ATOM 873 NE2 HIS A 57 1.078 12.045 -26.431 1.00 0.00 N ATOM 0 H HIS A 57 -0.117 15.485 -24.484 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.647 14.005 -24.153 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.051 13.588 -22.846 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.311 12.485 -22.861 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.763 13.428 -24.843 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.358 10.744 -27.369 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.876 11.988 -27.064 1.00 0.00 H new ATOM 881 N ASP A 58 -3.368 15.157 -22.037 1.00 0.00 N ATOM 882 CA ASP A 58 -3.771 15.652 -20.723 1.00 0.00 C ATOM 883 C ASP A 58 -3.649 14.530 -19.694 1.00 0.00 C ATOM 884 O ASP A 58 -3.872 13.350 -19.998 1.00 0.00 O ATOM 885 CB ASP A 58 -5.160 16.295 -20.710 1.00 0.00 C ATOM 886 CG ASP A 58 -6.276 15.288 -20.372 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.801 14.632 -21.304 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.652 15.180 -19.179 1.00 0.00 O ATOM 0 H ASP A 58 -4.140 14.827 -22.617 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.089 16.459 -20.455 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.174 17.106 -19.981 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.360 16.739 -21.685 1.00 0.00 H new ATOM 893 N CYS A 59 -3.275 14.915 -18.477 1.00 0.00 N ATOM 894 CA CYS A 59 -2.998 14.032 -17.365 1.00 0.00 C ATOM 895 C CYS A 59 -3.641 14.620 -16.115 1.00 0.00 C ATOM 896 O CYS A 59 -3.760 15.842 -16.000 1.00 0.00 O ATOM 897 CB CYS A 59 -1.487 13.915 -17.112 1.00 0.00 C ATOM 898 SG CYS A 59 -0.511 13.867 -18.644 1.00 0.00 S ATOM 0 H CYS A 59 -3.153 15.899 -18.236 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.395 13.044 -17.597 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.159 14.759 -16.506 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.290 13.012 -16.534 1.00 0.00 H new ATOM 0 HG CYS A 59 0.453 13.004 -18.517 1.00 0.00 H new ATOM 904 N TYR A 60 -4.010 13.788 -15.146 1.00 0.00 N ATOM 905 CA TYR A 60 -4.399 14.289 -13.846 1.00 0.00 C ATOM 906 C TYR A 60 -4.021 13.297 -12.772 1.00 0.00 C ATOM 907 O TYR A 60 -4.194 12.095 -12.952 1.00 0.00 O ATOM 908 CB TYR A 60 -5.870 14.715 -13.790 1.00 0.00 C ATOM 909 CG TYR A 60 -6.931 13.675 -14.105 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.285 12.707 -13.145 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.624 13.729 -15.328 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.330 11.802 -13.403 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.707 12.868 -15.571 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.082 11.913 -14.600 1.00 0.00 C ATOM 915 OH TYR A 60 -10.119 11.064 -14.868 1.00 0.00 O ATOM 0 H TYR A 60 -4.046 12.773 -15.241 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.842 15.206 -13.655 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.067 15.099 -12.789 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.003 15.546 -14.483 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.752 12.660 -12.207 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.321 14.437 -16.085 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.559 11.024 -12.690 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.253 12.936 -16.500 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.909 11.584 -15.125 1.00 0.00 H new ATOM 925 N ILE A 61 -3.527 13.776 -11.635 1.00 0.00 N ATOM 926 CA ILE A 61 -3.339 12.921 -10.472 1.00 0.00 C ATOM 927 C ILE A 61 -4.665 12.973 -9.738 1.00 0.00 C ATOM 928 O ILE A 61 -5.048 14.021 -9.223 1.00 0.00 O ATOM 929 CB ILE A 61 -2.126 13.338 -9.620 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.822 13.187 -10.437 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.042 12.470 -8.347 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.284 14.122 -9.942 1.00 0.00 C ATOM 0 H ILE A 61 -3.251 14.748 -11.496 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.091 11.896 -10.746 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.249 14.382 -9.332 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.476 12.155 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.027 13.395 -11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.180 12.776 -7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.951 12.598 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.936 11.422 -8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.179 13.979 -10.547 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.049 15.156 -10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.511 13.898 -8.900 1.00 0.00 H new ATOM 944 N LYS A 62 -5.378 11.852 -9.728 1.00 0.00 N ATOM 945 CA LYS A 62 -6.584 11.661 -8.945 1.00 0.00 C ATOM 946 C LYS A 62 -6.114 11.334 -7.537 1.00 0.00 C ATOM 947 O LYS A 62 -5.261 10.467 -7.358 1.00 0.00 O ATOM 948 CB LYS A 62 -7.408 10.551 -9.619 1.00 0.00 C ATOM 949 CG LYS A 62 -8.863 10.474 -9.150 1.00 0.00 C ATOM 950 CD LYS A 62 -9.651 9.523 -10.072 1.00 0.00 C ATOM 951 CE LYS A 62 -11.124 9.316 -9.678 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.883 10.585 -9.548 1.00 0.00 N ATOM 0 H LYS A 62 -5.123 11.033 -10.280 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.238 12.531 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.394 10.708 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.926 9.592 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.906 10.118 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.313 11.466 -9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.613 9.912 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.153 8.554 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.607 8.687 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.167 8.777 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.874 10.426 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.842 10.914 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.465 11.305 -10.171 1.00 0.00 H new ATOM 966 N ALA A 63 -6.623 12.060 -6.555 1.00 0.00 N ATOM 967 CA ALA A 63 -6.223 11.988 -5.169 1.00 0.00 C ATOM 968 C ALA A 63 -7.520 11.805 -4.384 1.00 0.00 C ATOM 969 O ALA A 63 -8.213 12.778 -4.099 1.00 0.00 O ATOM 970 CB ALA A 63 -5.474 13.270 -4.809 1.00 0.00 C ATOM 0 H ALA A 63 -7.361 12.746 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.543 11.166 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.165 13.230 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.593 13.367 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.128 14.129 -4.961 1.00 0.00 H new ATOM 976 N VAL A 64 -7.876 10.560 -4.096 1.00 0.00 N ATOM 977 CA VAL A 64 -9.173 10.175 -3.559 1.00 0.00 C ATOM 978 C VAL A 64 -9.104 10.111 -2.037 1.00 0.00 C ATOM 979 O VAL A 64 -8.283 9.367 -1.511 1.00 0.00 O ATOM 980 CB VAL A 64 -9.613 8.801 -4.120 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.133 8.679 -4.083 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.134 8.515 -5.550 1.00 0.00 C ATOM 0 H VAL A 64 -7.250 9.766 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.907 10.923 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.138 8.063 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.430 7.708 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.481 8.772 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.576 9.470 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.487 7.532 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.529 9.274 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.045 8.535 -5.580 1.00 0.00 H new ATOM 992 N SER A 65 -9.976 10.800 -1.311 1.00 0.00 N ATOM 993 CA SER A 65 -10.027 10.788 0.148 1.00 0.00 C ATOM 994 C SER A 65 -10.840 9.591 0.682 1.00 0.00 C ATOM 995 O SER A 65 -11.730 9.758 1.521 1.00 0.00 O ATOM 996 CB SER A 65 -10.483 12.179 0.630 1.00 0.00 C ATOM 997 OG SER A 65 -11.542 12.690 -0.174 1.00 0.00 O ATOM 0 H SER A 65 -10.687 11.399 -1.731 1.00 0.00 H new ATOM 0 HA SER A 65 -9.038 10.619 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.811 12.116 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.639 12.869 0.603 1.00 0.00 H new ATOM 0 HG SER A 65 -11.809 13.572 0.159 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.158 9.404 1.527 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.627 9.764 0.194 1.00 0.00 C ATOM 1113 C ILE A 73 -4.969 8.785 -0.798 1.00 0.00 C ATOM 1114 O ILE A 73 -3.753 8.567 -0.753 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.296 11.257 -0.080 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.350 12.241 0.477 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.216 11.589 -1.576 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.500 12.239 1.997 1.00 0.00 C ATOM 0 HA ILE A 73 -6.708 9.675 0.088 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.335 11.380 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.089 13.249 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.316 12.004 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.982 12.646 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.436 10.987 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.173 11.370 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.262 12.962 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.796 11.245 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.549 12.509 2.457 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.762 8.218 -1.708 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.309 7.284 -2.724 1.00 0.00 C ATOM 1132 C ILE A 74 -4.807 8.152 -3.874 1.00 0.00 C ATOM 1133 O ILE A 74 -5.618 8.860 -4.470 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.474 6.353 -3.144 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.157 5.658 -1.942 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.019 5.332 -4.205 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.271 4.684 -1.152 1.00 0.00 C ATOM 0 H ILE A 74 -6.764 8.405 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.516 6.624 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.233 6.993 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.521 6.426 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.029 5.115 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.859 4.693 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.661 5.860 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.214 4.719 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.846 4.252 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.927 3.888 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.411 5.219 -0.750 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.507 8.136 -4.175 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.952 8.892 -5.294 1.00 0.00 C ATOM 1151 C HIS A 75 -2.811 7.959 -6.493 1.00 0.00 C ATOM 1152 O HIS A 75 -2.175 6.908 -6.381 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.607 9.528 -4.917 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.720 10.629 -3.892 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.771 10.481 -2.521 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.757 11.973 -4.153 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.828 11.710 -1.977 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.826 12.654 -2.935 1.00 0.00 N ATOM 0 H HIS A 75 -2.814 7.601 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.625 9.709 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.944 8.753 -4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.140 9.929 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.736 12.428 -5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.870 11.911 -0.917 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.867 13.664 -2.800 1.00 0.00 H new ATOM 1166 N THR A 76 -3.325 8.380 -7.648 1.00 0.00 N ATOM 1167 CA THR A 76 -3.203 7.663 -8.907 1.00 0.00 C ATOM 1168 C THR A 76 -2.969 8.685 -10.010 1.00 0.00 C ATOM 1169 O THR A 76 -3.634 9.716 -10.024 1.00 0.00 O ATOM 1170 CB THR A 76 -4.484 6.858 -9.201 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.983 6.220 -8.031 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.193 5.798 -10.263 1.00 0.00 C ATOM 0 H THR A 76 -3.850 9.251 -7.731 1.00 0.00 H new ATOM 0 HA THR A 76 -2.371 6.961 -8.853 1.00 0.00 H new ATOM 0 HB THR A 76 -5.240 7.556 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.796 5.720 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.101 5.230 -10.469 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.853 6.283 -11.178 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.417 5.123 -9.901 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.067 8.416 -10.953 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.948 9.240 -12.146 1.00 0.00 C ATOM 1182 C LEU A 77 -2.892 8.665 -13.185 1.00 0.00 C ATOM 1183 O LEU A 77 -2.886 7.462 -13.424 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.494 9.280 -12.621 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.291 10.025 -13.949 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.611 11.516 -13.831 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.169 9.876 -14.366 1.00 0.00 C ATOM 0 H LEU A 77 -1.412 7.635 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.225 10.275 -11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.116 9.755 -11.853 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.130 8.258 -12.730 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.969 9.593 -14.685 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.453 12.000 -14.795 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.650 11.642 -13.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.042 11.970 -13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.333 10.399 -15.308 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.812 10.303 -13.597 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.406 8.819 -14.491 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.701 9.513 -13.798 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.521 9.199 -14.944 1.00 0.00 C ATOM 1201 C ILE A 78 -3.940 9.991 -16.123 1.00 0.00 C ATOM 1202 O ILE A 78 -3.447 11.107 -15.938 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.004 9.516 -14.633 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.750 8.343 -13.960 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.791 9.900 -15.888 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.294 8.077 -12.532 1.00 0.00 C ATOM 0 H ILE A 78 -3.805 10.481 -13.493 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.508 8.139 -15.200 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.958 10.358 -13.942 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.819 8.555 -13.959 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.605 7.441 -14.554 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.825 10.113 -15.618 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.345 10.785 -16.341 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.765 9.076 -16.601 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.859 7.241 -12.120 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.231 7.834 -12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.465 8.965 -11.924 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.018 9.447 -17.336 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.639 10.110 -18.572 1.00 0.00 C ATOM 1220 C VAL A 79 -4.682 9.744 -19.613 1.00 0.00 C ATOM 1221 O VAL A 79 -4.986 8.563 -19.762 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.232 9.676 -19.012 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.751 10.440 -20.254 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.199 9.864 -17.898 1.00 0.00 C ATOM 0 H VAL A 79 -4.360 8.498 -17.485 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.603 11.191 -18.438 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.317 8.616 -19.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.752 10.099 -20.527 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.436 10.257 -21.082 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.723 11.508 -20.036 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.219 9.545 -18.253 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.157 10.916 -17.614 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.484 9.266 -17.033 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.243 10.730 -20.318 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.321 10.529 -21.294 1.00 0.00 C ATOM 1236 C ASP A 80 -7.447 9.645 -20.721 1.00 0.00 C ATOM 1237 O ASP A 80 -7.975 8.754 -21.387 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.754 10.037 -22.638 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.828 9.980 -23.742 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.668 10.908 -23.842 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.793 9.031 -24.565 1.00 0.00 O ATOM 0 H ASP A 80 -4.958 11.705 -20.227 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.794 11.489 -21.501 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.947 10.699 -22.953 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.320 9.046 -22.505 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.777 9.859 -19.438 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.754 9.099 -18.641 1.00 0.00 C ATOM 1248 C ASN A 81 -8.380 7.623 -18.360 1.00 0.00 C ATOM 1249 O ASN A 81 -9.135 6.919 -17.686 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.181 9.297 -19.196 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.278 8.742 -18.286 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.978 7.797 -18.647 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.490 9.321 -17.110 1.00 0.00 N ATOM 0 H ASN A 81 -7.345 10.609 -18.898 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.727 9.529 -17.640 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.356 10.361 -19.353 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.252 8.815 -20.171 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.236 8.982 -16.502 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.907 10.104 -16.815 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.209 7.140 -18.796 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.685 5.818 -18.468 1.00 0.00 C ATOM 1262 C ARG A 82 -5.847 5.901 -17.207 1.00 0.00 C ATOM 1263 O ARG A 82 -5.243 6.933 -16.932 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.848 5.253 -19.630 1.00 0.00 C ATOM 1265 CG ARG A 82 -6.730 4.700 -20.749 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.453 5.755 -21.589 1.00 0.00 C ATOM 1267 NE ARG A 82 -8.175 5.160 -22.726 1.00 0.00 N ATOM 1268 CZ ARG A 82 -9.022 5.821 -23.526 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -9.240 7.122 -23.347 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.657 5.173 -24.502 1.00 0.00 N ATOM 0 H ARG A 82 -6.588 7.676 -19.402 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.524 5.143 -18.300 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.204 6.037 -20.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.196 4.463 -19.258 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.112 4.093 -21.410 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.474 4.036 -20.309 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.156 6.300 -20.959 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.729 6.481 -21.960 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.019 4.171 -22.919 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.761 7.621 -22.597 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.886 7.620 -23.959 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.498 4.175 -24.639 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.302 5.675 -25.112 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.789 4.812 -16.456 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.135 4.749 -15.159 1.00 0.00 C ATOM 1286 C GLU A 83 -3.681 4.278 -15.311 1.00 0.00 C ATOM 1287 O GLU A 83 -3.414 3.328 -16.050 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.988 3.871 -14.236 1.00 0.00 C ATOM 1289 CG GLU A 83 -5.329 3.621 -12.881 1.00 0.00 C ATOM 1290 CD GLU A 83 -6.267 2.852 -11.935 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.172 3.472 -11.328 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -6.105 1.615 -11.797 1.00 0.00 O ATOM 0 H GLU A 83 -6.206 3.925 -16.739 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.065 5.735 -14.700 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.956 4.348 -14.082 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.178 2.915 -14.725 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.408 3.056 -13.021 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.053 4.573 -12.428 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.757 4.928 -14.592 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.318 4.681 -14.617 1.00 0.00 C ATOM 1301 C ILE A 84 -0.907 4.266 -13.191 1.00 0.00 C ATOM 1302 O ILE A 84 -1.060 5.071 -12.266 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.561 5.952 -15.096 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.113 6.582 -16.388 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.949 5.693 -15.239 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.173 5.679 -17.621 1.00 0.00 C ATOM 0 H ILE A 84 -3.010 5.676 -13.947 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.061 3.888 -15.319 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.733 6.682 -14.305 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.119 6.948 -16.185 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.501 7.450 -16.632 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.444 6.604 -15.575 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.359 5.392 -14.275 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.115 4.900 -15.968 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.579 6.239 -18.463 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.170 5.332 -17.867 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.813 4.822 -17.413 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.394 3.041 -12.972 1.00 0.00 N ATOM 1319 CA PRO A 85 0.079 2.595 -11.664 1.00 0.00 C ATOM 1320 C PRO A 85 1.443 3.221 -11.327 1.00 0.00 C ATOM 1321 O PRO A 85 2.223 3.541 -12.230 1.00 0.00 O ATOM 1322 CB PRO A 85 0.152 1.068 -11.760 1.00 0.00 C ATOM 1323 CG PRO A 85 0.480 0.832 -13.234 1.00 0.00 C ATOM 1324 CD PRO A 85 -0.264 1.964 -13.945 1.00 0.00 C ATOM 0 HA PRO A 85 -0.587 2.905 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.921 0.659 -11.105 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.791 0.600 -11.476 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.553 0.877 -13.420 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.139 -0.147 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.286 2.299 -14.825 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.243 1.630 -14.289 1.00 0.00 H new ATOM 1332 N GLU A 86 1.738 3.385 -10.031 1.00 0.00 N ATOM 1333 CA GLU A 86 3.048 3.831 -9.558 1.00 0.00 C ATOM 1334 C GLU A 86 4.123 2.808 -9.985 1.00 0.00 C ATOM 1335 O GLU A 86 3.815 1.655 -10.312 1.00 0.00 O ATOM 1336 CB GLU A 86 3.019 4.104 -8.044 1.00 0.00 C ATOM 1337 CG GLU A 86 3.323 2.889 -7.163 1.00 0.00 C ATOM 1338 CD GLU A 86 3.120 3.215 -5.673 1.00 0.00 C ATOM 1339 OE1 GLU A 86 4.082 3.682 -5.015 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.001 2.999 -5.146 1.00 0.00 O ATOM 0 H GLU A 86 1.070 3.210 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 86 3.311 4.782 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.741 4.888 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.035 4.490 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.676 2.060 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.350 2.564 -7.330 1.00 0.00 H new