USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 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 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.32) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 HIS : no HE2:sc= -0.0329 X(o=-0.033,f=-0.059) USER MOD Set 3.1: A 13 HIS : no HE2:sc= -0.0214! C(o=-1.1!,f=-2.3!) USER MOD Set 3.2: A 18 ASN : amide:sc= -1.07! X(o=-1.1!,f=-1.1) USER MOD Set 4.1: A 8 ASN : amide:sc= 1.49 K(o=2.3,f=-3.6!) USER MOD Set 4.2: A 25 LYS NZ :NH3+ -173:sc= 0.792 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -21:sc= 0.421 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00434 USER MOD Single : A 14 MET CE :methyl -170:sc= 0 (180deg=-0.103) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.018 USER MOD Single : A 33 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0143 X(o=-0.014,f=-0.34) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.3) 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= -0.0595 USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= 2.39 (180deg=0.564) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 7.206 11.186 -1.600 1.00 0.00 N ATOM 102 CA THR A 7 6.975 11.353 -3.033 1.00 0.00 C ATOM 103 C THR A 7 6.191 10.157 -3.590 1.00 0.00 C ATOM 104 O THR A 7 6.347 9.028 -3.121 1.00 0.00 O ATOM 105 CB THR A 7 8.320 11.577 -3.760 1.00 0.00 C ATOM 106 OG1 THR A 7 9.381 10.835 -3.173 1.00 0.00 O ATOM 107 CG2 THR A 7 8.746 13.050 -3.730 1.00 0.00 C ATOM 0 HA THR A 7 6.363 12.238 -3.207 1.00 0.00 H new ATOM 0 HB THR A 7 8.146 11.244 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.144 10.597 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.696 13.165 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.987 13.658 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.858 13.375 -2.696 1.00 0.00 H new ATOM 115 N ASN A 8 5.354 10.410 -4.601 1.00 0.00 N ATOM 116 CA ASN A 8 4.677 9.392 -5.410 1.00 0.00 C ATOM 117 C ASN A 8 5.290 9.498 -6.794 1.00 0.00 C ATOM 118 O ASN A 8 5.292 10.592 -7.355 1.00 0.00 O ATOM 119 CB ASN A 8 3.155 9.639 -5.436 1.00 0.00 C ATOM 120 CG ASN A 8 2.400 8.509 -4.742 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.226 8.523 -3.525 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.985 7.499 -5.483 1.00 0.00 N ATOM 0 H ASN A 8 5.121 11.361 -4.888 1.00 0.00 H new ATOM 0 HA ASN A 8 4.808 8.390 -5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.929 10.586 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.816 9.726 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.509 6.709 -5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.140 7.509 -6.491 1.00 0.00 H new ATOM 129 N THR A 9 5.804 8.395 -7.334 1.00 0.00 N ATOM 130 CA THR A 9 6.509 8.390 -8.611 1.00 0.00 C ATOM 131 C THR A 9 5.787 7.463 -9.580 1.00 0.00 C ATOM 132 O THR A 9 5.284 6.405 -9.190 1.00 0.00 O ATOM 133 CB THR A 9 7.998 8.038 -8.414 1.00 0.00 C ATOM 134 OG1 THR A 9 8.584 8.973 -7.526 1.00 0.00 O ATOM 135 CG2 THR A 9 8.795 7.947 -9.730 1.00 0.00 C ATOM 0 H THR A 9 5.742 7.476 -6.895 1.00 0.00 H new ATOM 0 HA THR A 9 6.500 9.388 -9.050 1.00 0.00 H new ATOM 0 HB THR A 9 8.039 7.037 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.530 8.752 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.833 7.696 -9.510 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.362 7.175 -10.365 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.755 8.906 -10.247 1.00 0.00 H new ATOM 143 N TRP A 10 5.787 7.857 -10.851 1.00 0.00 N ATOM 144 CA TRP A 10 5.267 7.102 -11.975 1.00 0.00 C ATOM 145 C TRP A 10 6.219 7.288 -13.149 1.00 0.00 C ATOM 146 O TRP A 10 6.967 8.263 -13.197 1.00 0.00 O ATOM 147 CB TRP A 10 3.872 7.637 -12.334 1.00 0.00 C ATOM 148 CG TRP A 10 2.842 7.535 -11.253 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.070 6.459 -11.027 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.404 8.534 -10.288 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.213 6.697 -9.973 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.356 7.981 -9.495 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.751 9.875 -10.043 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.684 8.726 -8.514 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.053 10.646 -9.098 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.014 10.080 -8.336 1.00 0.00 C ATOM 0 H TRP A 10 6.171 8.759 -11.133 1.00 0.00 H new ATOM 0 HA TRP A 10 5.186 6.043 -11.730 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.967 8.684 -12.623 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.509 7.097 -13.209 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.114 5.539 -11.590 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.558 6.011 -9.596 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.568 10.320 -10.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.078 8.264 -7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.317 11.684 -8.955 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.474 10.682 -7.620 1.00 0.00 H new ATOM 167 N VAL A 11 6.168 6.378 -14.112 1.00 0.00 N ATOM 168 CA VAL A 11 6.830 6.526 -15.398 1.00 0.00 C ATOM 169 C VAL A 11 5.810 6.216 -16.493 1.00 0.00 C ATOM 170 O VAL A 11 5.027 5.272 -16.363 1.00 0.00 O ATOM 171 CB VAL A 11 8.142 5.719 -15.459 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.941 4.206 -15.295 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.927 6.014 -16.754 1.00 0.00 C ATOM 0 H VAL A 11 5.656 5.501 -14.018 1.00 0.00 H new ATOM 0 HA VAL A 11 7.166 7.551 -15.557 1.00 0.00 H new ATOM 0 HB VAL A 11 8.727 6.054 -14.602 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.906 3.703 -15.348 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.479 4.003 -14.329 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.295 3.836 -16.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.846 5.428 -16.764 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.318 5.747 -17.618 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.173 7.075 -16.797 1.00 0.00 H new ATOM 183 N LEU A 12 5.802 7.027 -17.552 1.00 0.00 N ATOM 184 CA LEU A 12 4.935 6.867 -18.705 1.00 0.00 C ATOM 185 C LEU A 12 5.808 6.694 -19.932 1.00 0.00 C ATOM 186 O LEU A 12 6.623 7.566 -20.219 1.00 0.00 O ATOM 187 CB LEU A 12 4.021 8.103 -18.843 1.00 0.00 C ATOM 188 CG LEU A 12 2.539 7.779 -19.057 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.304 6.977 -20.339 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.965 7.039 -17.842 1.00 0.00 C ATOM 0 H LEU A 12 6.420 7.835 -17.627 1.00 0.00 H new ATOM 0 HA LEU A 12 4.296 5.991 -18.590 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.120 8.714 -17.946 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.372 8.707 -19.680 1.00 0.00 H new ATOM 0 HG LEU A 12 2.014 8.728 -19.169 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.239 6.771 -20.449 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.653 7.552 -21.197 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.852 6.036 -20.285 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.912 6.818 -18.015 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.511 6.108 -17.692 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.064 7.665 -16.955 1.00 0.00 H new ATOM 202 N HIS A 13 5.623 5.601 -20.663 1.00 0.00 N ATOM 203 CA HIS A 13 6.242 5.396 -21.954 1.00 0.00 C ATOM 204 C HIS A 13 5.254 5.922 -22.994 1.00 0.00 C ATOM 205 O HIS A 13 4.111 5.462 -23.051 1.00 0.00 O ATOM 206 CB HIS A 13 6.577 3.906 -22.150 1.00 0.00 C ATOM 207 CG HIS A 13 7.600 3.615 -23.225 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.712 4.199 -24.474 1.00 0.00 N ATOM 209 CD2 HIS A 13 8.618 2.706 -23.120 1.00 0.00 C ATOM 210 CE1 HIS A 13 8.779 3.665 -25.090 1.00 0.00 C ATOM 211 NE2 HIS A 13 9.381 2.758 -24.296 1.00 0.00 N ATOM 0 H HIS A 13 5.030 4.826 -20.366 1.00 0.00 H new ATOM 0 HA HIS A 13 7.189 5.928 -22.047 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.942 3.504 -21.205 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.658 3.371 -22.390 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.092 4.911 -24.860 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.802 2.059 -22.275 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.109 3.926 -26.085 1.00 0.00 H new ATOM 219 N MET A 14 5.685 6.896 -23.796 1.00 0.00 N ATOM 220 CA MET A 14 4.934 7.457 -24.905 1.00 0.00 C ATOM 221 C MET A 14 5.562 6.972 -26.214 1.00 0.00 C ATOM 222 O MET A 14 6.319 5.999 -26.206 1.00 0.00 O ATOM 223 CB MET A 14 4.823 8.984 -24.734 1.00 0.00 C ATOM 224 CG MET A 14 4.017 9.336 -23.481 1.00 0.00 C ATOM 225 SD MET A 14 3.632 11.097 -23.334 1.00 0.00 S ATOM 226 CE MET A 14 2.313 10.960 -22.107 1.00 0.00 C ATOM 0 H MET A 14 6.602 7.328 -23.682 1.00 0.00 H new ATOM 0 HA MET A 14 3.901 7.109 -24.929 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.820 9.420 -24.664 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.346 9.419 -25.612 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.086 8.769 -23.488 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.576 9.021 -22.600 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.812 11.922 -22.003 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.592 10.208 -22.430 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.738 10.667 -21.147 1.00 0.00 H new ATOM 236 N ASP A 15 5.240 7.617 -27.338 1.00 0.00 N ATOM 237 CA ASP A 15 5.581 7.155 -28.690 1.00 0.00 C ATOM 238 C ASP A 15 7.085 6.932 -28.902 1.00 0.00 C ATOM 239 O ASP A 15 7.470 6.071 -29.699 1.00 0.00 O ATOM 240 CB ASP A 15 5.062 8.181 -29.702 1.00 0.00 C ATOM 241 CG ASP A 15 5.381 7.765 -31.149 1.00 0.00 C ATOM 242 OD1 ASP A 15 4.734 6.820 -31.664 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.249 8.406 -31.789 1.00 0.00 O ATOM 0 H ASP A 15 4.723 8.496 -27.335 1.00 0.00 H new ATOM 0 HA ASP A 15 5.108 6.183 -28.831 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.984 8.294 -29.585 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.509 9.154 -29.496 1.00 0.00 H new ATOM 248 N GLY A 16 7.938 7.657 -28.166 1.00 0.00 N ATOM 249 CA GLY A 16 9.389 7.521 -28.274 1.00 0.00 C ATOM 250 C GLY A 16 10.159 8.133 -27.104 1.00 0.00 C ATOM 251 O GLY A 16 11.356 8.390 -27.243 1.00 0.00 O ATOM 0 H GLY A 16 7.638 8.352 -27.482 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.640 6.463 -28.347 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.720 7.992 -29.200 1.00 0.00 H new ATOM 255 N GLU A 17 9.498 8.387 -25.967 1.00 0.00 N ATOM 256 CA GLU A 17 10.095 8.965 -24.769 1.00 0.00 C ATOM 257 C GLU A 17 9.507 8.274 -23.538 1.00 0.00 C ATOM 258 O GLU A 17 8.404 7.724 -23.588 1.00 0.00 O ATOM 259 CB GLU A 17 9.879 10.493 -24.721 1.00 0.00 C ATOM 260 CG GLU A 17 10.861 11.223 -25.642 1.00 0.00 C ATOM 261 CD GLU A 17 10.750 12.753 -25.515 1.00 0.00 C ATOM 262 OE1 GLU A 17 9.967 13.377 -26.275 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.491 13.349 -24.691 1.00 0.00 O ATOM 0 H GLU A 17 8.504 8.188 -25.858 1.00 0.00 H new ATOM 0 HA GLU A 17 11.173 8.802 -24.786 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.857 10.727 -25.017 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.004 10.848 -23.698 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.879 10.913 -25.404 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.673 10.931 -26.675 1.00 0.00 H new ATOM 270 N ASN A 18 10.254 8.300 -22.433 1.00 0.00 N ATOM 271 CA ASN A 18 9.857 7.784 -21.128 1.00 0.00 C ATOM 272 C ASN A 18 9.901 8.958 -20.168 1.00 0.00 C ATOM 273 O ASN A 18 10.974 9.516 -19.924 1.00 0.00 O ATOM 274 CB ASN A 18 10.761 6.626 -20.677 1.00 0.00 C ATOM 275 CG ASN A 18 10.319 5.303 -21.293 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.677 4.489 -20.636 1.00 0.00 O ATOM 277 ND2 ASN A 18 10.618 5.069 -22.562 1.00 0.00 N ATOM 0 H ASN A 18 11.193 8.699 -22.426 1.00 0.00 H new ATOM 0 HA ASN A 18 8.853 7.362 -21.163 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.792 6.835 -20.962 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.740 6.548 -19.590 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.314 4.203 -23.006 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.152 5.755 -23.095 1.00 0.00 H new ATOM 284 N PHE A 19 8.739 9.346 -19.649 1.00 0.00 N ATOM 285 CA PHE A 19 8.588 10.521 -18.798 1.00 0.00 C ATOM 286 C PHE A 19 8.429 10.054 -17.360 1.00 0.00 C ATOM 287 O PHE A 19 7.449 9.383 -17.043 1.00 0.00 O ATOM 288 CB PHE A 19 7.373 11.346 -19.255 1.00 0.00 C ATOM 289 CG PHE A 19 7.533 11.953 -20.636 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.264 13.145 -20.799 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.964 11.322 -21.759 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.431 13.702 -22.080 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.123 11.886 -23.037 1.00 0.00 C ATOM 294 CZ PHE A 19 7.861 13.071 -23.200 1.00 0.00 C ATOM 0 H PHE A 19 7.865 8.846 -19.810 1.00 0.00 H new ATOM 0 HA PHE A 19 9.467 11.161 -18.871 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.489 10.709 -19.248 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.196 12.145 -18.535 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.698 13.633 -19.939 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.406 10.405 -21.639 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.997 14.614 -22.203 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.677 11.407 -23.896 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.990 13.496 -24.184 1.00 0.00 H new ATOM 304 N ARG A 20 9.383 10.381 -16.484 1.00 0.00 N ATOM 305 CA ARG A 20 9.214 10.183 -15.051 1.00 0.00 C ATOM 306 C ARG A 20 8.376 11.327 -14.523 1.00 0.00 C ATOM 307 O ARG A 20 8.575 12.478 -14.911 1.00 0.00 O ATOM 308 CB ARG A 20 10.556 10.049 -14.316 1.00 0.00 C ATOM 309 CG ARG A 20 11.105 8.624 -14.502 1.00 0.00 C ATOM 310 CD ARG A 20 11.613 8.034 -13.188 1.00 0.00 C ATOM 311 NE ARG A 20 12.765 8.781 -12.638 1.00 0.00 N ATOM 312 CZ ARG A 20 14.061 8.610 -12.948 1.00 0.00 C ATOM 313 NH1 ARG A 20 14.435 7.707 -13.856 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.985 9.352 -12.343 1.00 0.00 N ATOM 0 H ARG A 20 10.282 10.785 -16.748 1.00 0.00 H new ATOM 0 HA ARG A 20 8.702 9.238 -14.867 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.268 10.778 -14.703 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.425 10.264 -13.255 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.322 7.984 -14.909 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.916 8.639 -15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.804 8.032 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.901 6.995 -13.348 1.00 0.00 H new ATOM 0 HE ARG A 20 12.553 9.503 -11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.733 7.135 -14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.423 7.589 -14.081 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.708 10.046 -11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.971 9.227 -12.574 1.00 0.00 H new ATOM 328 N ILE A 21 7.467 10.991 -13.625 1.00 0.00 N ATOM 329 CA ILE A 21 6.595 11.905 -12.917 1.00 0.00 C ATOM 330 C ILE A 21 6.905 11.673 -11.456 1.00 0.00 C ATOM 331 O ILE A 21 6.901 10.523 -11.028 1.00 0.00 O ATOM 332 CB ILE A 21 5.109 11.609 -13.213 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.795 11.678 -14.718 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.155 12.515 -12.406 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.914 13.066 -15.350 1.00 0.00 C ATOM 0 H ILE A 21 7.311 10.019 -13.357 1.00 0.00 H new ATOM 0 HA ILE A 21 6.759 12.939 -13.220 1.00 0.00 H new ATOM 0 HB ILE A 21 4.934 10.584 -12.885 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.467 10.999 -15.244 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.781 11.310 -14.878 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.123 12.266 -12.651 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.322 12.361 -11.340 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.346 13.559 -12.656 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.672 13.005 -16.411 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.222 13.750 -14.859 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.933 13.434 -15.231 1.00 0.00 H new ATOM 347 N VAL A 22 7.112 12.726 -10.678 1.00 0.00 N ATOM 348 CA VAL A 22 7.215 12.646 -9.240 1.00 0.00 C ATOM 349 C VAL A 22 6.338 13.751 -8.665 1.00 0.00 C ATOM 350 O VAL A 22 6.569 14.927 -8.922 1.00 0.00 O ATOM 351 CB VAL A 22 8.689 12.737 -8.797 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.799 12.509 -7.285 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.588 11.711 -9.501 1.00 0.00 C ATOM 0 H VAL A 22 7.214 13.674 -11.041 1.00 0.00 H new ATOM 0 HA VAL A 22 6.862 11.687 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 22 9.029 13.736 -9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.844 12.575 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.220 13.268 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.411 11.521 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.613 11.823 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.236 10.704 -9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.554 11.876 -10.578 1.00 0.00 H new ATOM 363 N LEU A 23 5.326 13.378 -7.888 1.00 0.00 N ATOM 364 CA LEU A 23 4.532 14.303 -7.089 1.00 0.00 C ATOM 365 C LEU A 23 5.267 14.424 -5.753 1.00 0.00 C ATOM 366 O LEU A 23 5.493 13.410 -5.090 1.00 0.00 O ATOM 367 CB LEU A 23 3.125 13.714 -6.922 1.00 0.00 C ATOM 368 CG LEU A 23 2.045 14.603 -6.273 1.00 0.00 C ATOM 369 CD1 LEU A 23 0.787 13.750 -6.070 1.00 0.00 C ATOM 370 CD2 LEU A 23 2.382 15.220 -4.926 1.00 0.00 C ATOM 0 H LEU A 23 5.030 12.406 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 23 4.419 15.287 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.767 13.418 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.211 12.804 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 23 1.928 15.440 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.006 14.357 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.439 13.379 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.020 12.907 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.541 15.820 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.584 14.429 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.263 15.854 -5.026 1.00 0.00 H new ATOM 382 N GLU A 24 5.627 15.635 -5.352 1.00 0.00 N ATOM 383 CA GLU A 24 6.153 15.965 -4.034 1.00 0.00 C ATOM 384 C GLU A 24 4.960 16.157 -3.105 1.00 0.00 C ATOM 385 O GLU A 24 4.242 17.152 -3.212 1.00 0.00 O ATOM 386 CB GLU A 24 7.038 17.223 -4.156 1.00 0.00 C ATOM 387 CG GLU A 24 8.464 16.898 -3.723 1.00 0.00 C ATOM 388 CD GLU A 24 8.631 16.561 -2.223 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.659 16.686 -1.441 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.761 16.179 -1.834 1.00 0.00 O ATOM 0 H GLU A 24 5.558 16.450 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 24 6.782 15.176 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.034 17.583 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.634 18.024 -3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.823 16.054 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.103 17.748 -3.962 1.00 0.00 H new ATOM 397 N LYS A 25 4.721 15.197 -2.210 1.00 0.00 N ATOM 398 CA LYS A 25 3.482 15.145 -1.433 1.00 0.00 C ATOM 399 C LYS A 25 3.421 16.229 -0.366 1.00 0.00 C ATOM 400 O LYS A 25 2.320 16.641 0.002 1.00 0.00 O ATOM 401 CB LYS A 25 3.284 13.747 -0.840 1.00 0.00 C ATOM 402 CG LYS A 25 3.048 12.746 -1.988 1.00 0.00 C ATOM 403 CD LYS A 25 3.154 11.278 -1.584 1.00 0.00 C ATOM 404 CE LYS A 25 1.925 10.758 -0.818 1.00 0.00 C ATOM 405 NZ LYS A 25 1.940 9.270 -0.707 1.00 0.00 N ATOM 0 H LYS A 25 5.374 14.441 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 25 2.655 15.347 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.160 13.456 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.435 13.744 -0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.058 12.923 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.771 12.944 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.296 10.673 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.041 11.144 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.903 11.198 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.016 11.077 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.044 8.944 -0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.056 8.853 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.731 8.975 -0.099 1.00 0.00 H new ATOM 419 N ASP A 26 4.572 16.700 0.121 1.00 0.00 N ATOM 420 CA ASP A 26 4.598 17.742 1.139 1.00 0.00 C ATOM 421 C ASP A 26 4.139 19.080 0.550 1.00 0.00 C ATOM 422 O ASP A 26 3.343 19.794 1.166 1.00 0.00 O ATOM 423 CB ASP A 26 5.998 17.894 1.742 1.00 0.00 C ATOM 424 CG ASP A 26 6.004 19.014 2.799 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.480 18.788 3.917 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.547 20.112 2.526 1.00 0.00 O ATOM 0 H ASP A 26 5.492 16.375 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 26 3.912 17.446 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.310 16.954 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.718 18.122 0.956 1.00 0.00 H new ATOM 431 N ALA A 27 4.611 19.398 -0.663 1.00 0.00 N ATOM 432 CA ALA A 27 4.348 20.656 -1.346 1.00 0.00 C ATOM 433 C ALA A 27 3.127 20.590 -2.283 1.00 0.00 C ATOM 434 O ALA A 27 2.613 21.633 -2.693 1.00 0.00 O ATOM 435 CB ALA A 27 5.604 21.060 -2.131 1.00 0.00 C ATOM 0 H ALA A 27 5.201 18.766 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 27 4.108 21.404 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.422 22.002 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.440 21.180 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.842 20.285 -2.860 1.00 0.00 H new ATOM 441 N MET A 28 2.672 19.378 -2.622 1.00 0.00 N ATOM 442 CA MET A 28 1.684 19.096 -3.657 1.00 0.00 C ATOM 443 C MET A 28 2.087 19.765 -4.982 1.00 0.00 C ATOM 444 O MET A 28 1.310 20.488 -5.613 1.00 0.00 O ATOM 445 CB MET A 28 0.244 19.342 -3.159 1.00 0.00 C ATOM 446 CG MET A 28 -0.619 18.104 -3.382 1.00 0.00 C ATOM 447 SD MET A 28 -0.797 17.589 -5.112 1.00 0.00 S ATOM 448 CE MET A 28 -2.239 16.531 -4.884 1.00 0.00 C ATOM 0 H MET A 28 3.001 18.532 -2.158 1.00 0.00 H new ATOM 0 HA MET A 28 1.675 18.031 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.258 19.596 -2.099 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.188 20.193 -3.685 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.193 17.276 -2.815 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.611 18.293 -2.972 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.529 16.099 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.997 15.731 -4.184 1.00 0.00 H new ATOM 0 HE3 MET A 28 -3.065 17.122 -4.488 1.00 0.00 H new ATOM 458 N ASP A 29 3.343 19.537 -5.381 1.00 0.00 N ATOM 459 CA ASP A 29 3.918 19.976 -6.650 1.00 0.00 C ATOM 460 C ASP A 29 4.294 18.738 -7.462 1.00 0.00 C ATOM 461 O ASP A 29 4.436 17.656 -6.886 1.00 0.00 O ATOM 462 CB ASP A 29 5.127 20.896 -6.419 1.00 0.00 C ATOM 463 CG ASP A 29 5.601 21.618 -7.695 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.865 21.653 -8.710 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.708 22.205 -7.645 1.00 0.00 O ATOM 0 H ASP A 29 4.009 19.022 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 29 3.187 20.562 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.869 21.639 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.951 20.306 -6.017 1.00 0.00 H new ATOM 470 N VAL A 30 4.441 18.852 -8.779 1.00 0.00 N ATOM 471 CA VAL A 30 4.678 17.715 -9.659 1.00 0.00 C ATOM 472 C VAL A 30 5.846 18.045 -10.583 1.00 0.00 C ATOM 473 O VAL A 30 5.783 18.964 -11.405 1.00 0.00 O ATOM 474 CB VAL A 30 3.400 17.339 -10.433 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.629 16.126 -11.349 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.202 17.019 -9.527 1.00 0.00 C ATOM 0 H VAL A 30 4.398 19.746 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 30 4.942 16.836 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 30 3.166 18.228 -11.019 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.706 15.890 -11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.412 16.358 -12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.932 15.268 -10.748 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.339 16.763 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.449 16.177 -8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.966 17.889 -8.915 1.00 0.00 H new ATOM 486 N TRP A 31 6.902 17.251 -10.456 1.00 0.00 N ATOM 487 CA TRP A 31 8.060 17.234 -11.320 1.00 0.00 C ATOM 488 C TRP A 31 7.787 16.257 -12.466 1.00 0.00 C ATOM 489 O TRP A 31 7.464 15.098 -12.209 1.00 0.00 O ATOM 490 CB TRP A 31 9.290 16.796 -10.501 1.00 0.00 C ATOM 491 CG TRP A 31 9.387 17.299 -9.084 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.119 16.585 -7.968 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.790 18.614 -8.599 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.336 17.354 -6.849 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.770 18.617 -7.173 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.181 19.806 -9.229 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.137 19.736 -6.410 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.561 20.938 -8.480 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.540 20.904 -7.076 1.00 0.00 C ATOM 0 H TRP A 31 6.970 16.566 -9.703 1.00 0.00 H new ATOM 0 HA TRP A 31 8.257 18.223 -11.733 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.308 15.706 -10.475 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.184 17.117 -11.036 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.783 15.559 -7.957 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.192 17.027 -5.894 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.191 19.857 -10.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.110 19.699 -5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.871 21.838 -8.990 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.834 21.775 -6.510 1.00 0.00 H new ATOM 510 N CYS A 32 7.913 16.691 -13.718 1.00 0.00 N ATOM 511 CA CYS A 32 7.917 15.825 -14.887 1.00 0.00 C ATOM 512 C CYS A 32 9.302 15.971 -15.509 1.00 0.00 C ATOM 513 O CYS A 32 9.760 17.091 -15.736 1.00 0.00 O ATOM 514 CB CYS A 32 6.801 16.233 -15.852 1.00 0.00 C ATOM 515 SG CYS A 32 6.852 15.220 -17.363 1.00 0.00 S ATOM 0 H CYS A 32 8.017 17.679 -13.950 1.00 0.00 H new ATOM 0 HA CYS A 32 7.725 14.783 -14.632 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.833 16.119 -15.365 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.905 17.287 -16.111 1.00 0.00 H new ATOM 0 HG CYS A 32 5.894 15.585 -18.163 1.00 0.00 H new ATOM 521 N ASN A 33 9.980 14.846 -15.759 1.00 0.00 N ATOM 522 CA ASN A 33 11.336 14.809 -16.330 1.00 0.00 C ATOM 523 C ASN A 33 12.312 15.727 -15.558 1.00 0.00 C ATOM 524 O ASN A 33 13.189 16.364 -16.136 1.00 0.00 O ATOM 525 CB ASN A 33 11.266 15.078 -17.847 1.00 0.00 C ATOM 526 CG ASN A 33 12.536 14.654 -18.586 1.00 0.00 C ATOM 527 OD1 ASN A 33 13.347 15.476 -19.002 1.00 0.00 O ATOM 528 ND2 ASN A 33 12.725 13.354 -18.795 1.00 0.00 N ATOM 0 H ASN A 33 9.598 13.919 -15.568 1.00 0.00 H new ATOM 0 HA ASN A 33 11.758 13.811 -16.209 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.413 14.545 -18.266 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.092 16.141 -18.015 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.549 13.034 -19.304 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.046 12.677 -18.446 1.00 0.00 H new ATOM 535 N GLY A 34 12.130 15.824 -14.232 1.00 0.00 N ATOM 536 CA GLY A 34 12.985 16.601 -13.337 1.00 0.00 C ATOM 537 C GLY A 34 12.679 18.105 -13.274 1.00 0.00 C ATOM 538 O GLY A 34 13.339 18.809 -12.506 1.00 0.00 O ATOM 0 H GLY A 34 11.367 15.352 -13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.900 16.188 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.021 16.471 -13.649 1.00 0.00 H new ATOM 542 N LYS A 35 11.698 18.623 -14.026 1.00 0.00 N ATOM 543 CA LYS A 35 11.292 20.037 -14.001 1.00 0.00 C ATOM 544 C LYS A 35 9.867 20.123 -13.470 1.00 0.00 C ATOM 545 O LYS A 35 9.061 19.244 -13.772 1.00 0.00 O ATOM 546 CB LYS A 35 11.388 20.627 -15.420 1.00 0.00 C ATOM 547 CG LYS A 35 12.832 20.661 -15.946 1.00 0.00 C ATOM 548 CD LYS A 35 12.861 21.141 -17.401 1.00 0.00 C ATOM 549 CE LYS A 35 14.309 21.192 -17.911 1.00 0.00 C ATOM 550 NZ LYS A 35 14.398 21.661 -19.320 1.00 0.00 N ATOM 0 H LYS A 35 11.154 18.062 -14.681 1.00 0.00 H new ATOM 0 HA LYS A 35 11.951 20.612 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.771 20.037 -16.098 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.981 21.638 -15.418 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.436 21.324 -15.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.275 19.667 -15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.271 20.470 -18.025 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.406 22.129 -17.475 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.893 21.855 -17.273 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.754 20.200 -17.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.394 21.678 -19.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.864 21.015 -19.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.998 22.618 -19.393 1.00 0.00 H new ATOM 564 N LYS A 36 9.512 21.146 -12.681 1.00 0.00 N ATOM 565 CA LYS A 36 8.121 21.284 -12.249 1.00 0.00 C ATOM 566 C LYS A 36 7.270 21.729 -13.435 1.00 0.00 C ATOM 567 O LYS A 36 7.738 22.527 -14.251 1.00 0.00 O ATOM 568 CB LYS A 36 7.938 22.076 -10.938 1.00 0.00 C ATOM 569 CG LYS A 36 7.439 23.530 -11.017 1.00 0.00 C ATOM 570 CD LYS A 36 8.454 24.556 -11.547 1.00 0.00 C ATOM 571 CE LYS A 36 9.587 24.816 -10.540 1.00 0.00 C ATOM 572 NZ LYS A 36 10.489 25.914 -10.982 1.00 0.00 N ATOM 0 H LYS A 36 10.148 21.867 -12.340 1.00 0.00 H new ATOM 0 HA LYS A 36 7.744 20.308 -11.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.241 21.521 -10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.897 22.083 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.556 23.557 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.123 23.841 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.877 24.196 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.942 25.493 -11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.158 25.068 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.167 23.903 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.237 26.055 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.919 25.664 -11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.942 26.792 -11.087 1.00 0.00 H new ATOM 586 N LEU A 37 6.046 21.207 -13.543 1.00 0.00 N ATOM 587 CA LEU A 37 5.095 21.581 -14.586 1.00 0.00 C ATOM 588 C LEU A 37 3.878 22.298 -14.003 1.00 0.00 C ATOM 589 O LEU A 37 3.693 22.365 -12.785 1.00 0.00 O ATOM 590 CB LEU A 37 4.741 20.416 -15.529 1.00 0.00 C ATOM 591 CG LEU A 37 4.337 19.094 -14.869 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.147 19.166 -13.919 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.002 18.087 -15.973 1.00 0.00 C ATOM 0 H LEU A 37 5.685 20.503 -12.899 1.00 0.00 H new ATOM 0 HA LEU A 37 5.594 22.305 -15.230 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.924 20.737 -16.175 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.600 20.226 -16.173 1.00 0.00 H new ATOM 0 HG LEU A 37 5.190 18.801 -14.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.948 18.176 -13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.372 19.857 -13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.269 19.517 -14.461 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.711 17.137 -15.523 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.179 18.469 -16.577 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.877 17.936 -16.606 1.00 0.00 H new ATOM 605 N GLU A 38 3.073 22.865 -14.895 1.00 0.00 N ATOM 606 CA GLU A 38 1.844 23.568 -14.568 1.00 0.00 C ATOM 607 C GLU A 38 0.755 22.567 -14.174 1.00 0.00 C ATOM 608 O GLU A 38 0.675 21.474 -14.738 1.00 0.00 O ATOM 609 CB GLU A 38 1.405 24.459 -15.739 1.00 0.00 C ATOM 610 CG GLU A 38 1.070 23.676 -17.023 1.00 0.00 C ATOM 611 CD GLU A 38 0.798 24.628 -18.203 1.00 0.00 C ATOM 612 OE1 GLU A 38 -0.355 25.096 -18.362 1.00 0.00 O ATOM 613 OE2 GLU A 38 1.737 24.908 -18.989 1.00 0.00 O ATOM 0 H GLU A 38 3.267 22.846 -15.896 1.00 0.00 H new ATOM 0 HA GLU A 38 2.021 24.221 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.530 25.035 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.198 25.174 -15.957 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.897 23.011 -17.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.196 23.047 -16.851 1.00 0.00 H new ATOM 620 N THR A 39 -0.104 22.959 -13.237 1.00 0.00 N ATOM 621 CA THR A 39 -1.174 22.128 -12.703 1.00 0.00 C ATOM 622 C THR A 39 -2.420 22.985 -12.462 1.00 0.00 C ATOM 623 O THR A 39 -2.318 24.175 -12.147 1.00 0.00 O ATOM 624 CB THR A 39 -0.713 21.405 -11.420 1.00 0.00 C ATOM 625 OG1 THR A 39 0.124 22.208 -10.594 1.00 0.00 O ATOM 626 CG2 THR A 39 0.057 20.119 -11.748 1.00 0.00 C ATOM 0 H THR A 39 -0.072 23.889 -12.818 1.00 0.00 H new ATOM 0 HA THR A 39 -1.430 21.356 -13.429 1.00 0.00 H new ATOM 0 HB THR A 39 -1.632 21.179 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.383 21.699 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.367 19.635 -10.822 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.586 19.444 -12.313 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.937 20.364 -12.342 1.00 0.00 H new ATOM 634 N ALA A 40 -3.593 22.365 -12.583 1.00 0.00 N ATOM 635 CA ALA A 40 -4.887 22.915 -12.197 1.00 0.00 C ATOM 636 C ALA A 40 -5.570 21.827 -11.375 1.00 0.00 C ATOM 637 O ALA A 40 -5.436 20.654 -11.718 1.00 0.00 O ATOM 638 CB ALA A 40 -5.712 23.286 -13.435 1.00 0.00 C ATOM 0 H ALA A 40 -3.668 21.424 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.780 23.834 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.673 23.694 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.174 24.032 -14.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.876 22.396 -14.043 1.00 0.00 H new ATOM 644 N GLY A 41 -6.257 22.182 -10.291 1.00 0.00 N ATOM 645 CA GLY A 41 -6.814 21.228 -9.345 1.00 0.00 C ATOM 646 C GLY A 41 -8.318 21.403 -9.355 1.00 0.00 C ATOM 647 O GLY A 41 -8.823 22.393 -8.817 1.00 0.00 O ATOM 0 H GLY A 41 -6.443 23.154 -10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.545 20.209 -9.624 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.414 21.401 -8.346 1.00 0.00 H new ATOM 651 N GLU A 42 -9.027 20.470 -9.987 1.00 0.00 N ATOM 652 CA GLU A 42 -10.475 20.399 -9.902 1.00 0.00 C ATOM 653 C GLU A 42 -10.851 19.510 -8.720 1.00 0.00 C ATOM 654 O GLU A 42 -10.118 18.578 -8.381 1.00 0.00 O ATOM 655 CB GLU A 42 -11.095 19.900 -11.217 1.00 0.00 C ATOM 656 CG GLU A 42 -11.348 21.092 -12.144 1.00 0.00 C ATOM 657 CD GLU A 42 -12.056 20.686 -13.452 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.232 20.248 -13.404 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.464 20.854 -14.545 1.00 0.00 O ATOM 0 H GLU A 42 -8.610 19.745 -10.571 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.879 21.398 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.427 19.186 -11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.030 19.377 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.955 21.832 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.398 21.570 -12.383 1.00 0.00 H new ATOM 666 N PHE A 43 -11.997 19.786 -8.100 1.00 0.00 N ATOM 667 CA PHE A 43 -12.476 19.037 -6.945 1.00 0.00 C ATOM 668 C PHE A 43 -13.825 18.409 -7.271 1.00 0.00 C ATOM 669 O PHE A 43 -14.676 19.040 -7.905 1.00 0.00 O ATOM 670 CB PHE A 43 -12.557 19.946 -5.713 1.00 0.00 C ATOM 671 CG PHE A 43 -12.820 19.199 -4.417 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.766 18.533 -3.759 1.00 0.00 C ATOM 673 CD2 PHE A 43 -14.119 19.153 -3.872 1.00 0.00 C ATOM 674 CE1 PHE A 43 -12.010 17.818 -2.573 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.361 18.444 -2.681 1.00 0.00 C ATOM 676 CZ PHE A 43 -13.305 17.778 -2.029 1.00 0.00 C ATOM 0 H PHE A 43 -12.621 20.540 -8.388 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.774 18.237 -6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.623 20.500 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.348 20.680 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.767 18.572 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.930 19.663 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.201 17.299 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.358 18.410 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.490 17.238 -1.113 1.00 0.00 H new ATOM 686 N VAL A 44 -14.013 17.170 -6.828 1.00 0.00 N ATOM 687 CA VAL A 44 -15.220 16.389 -7.002 1.00 0.00 C ATOM 688 C VAL A 44 -15.627 15.746 -5.675 1.00 0.00 C ATOM 689 O VAL A 44 -14.841 15.681 -4.728 1.00 0.00 O ATOM 690 CB VAL A 44 -14.998 15.327 -8.102 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.323 15.914 -9.475 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.605 14.675 -8.088 1.00 0.00 C ATOM 0 H VAL A 44 -13.291 16.665 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.035 17.040 -7.318 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.688 14.513 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.163 15.156 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.364 16.237 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.674 16.768 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.538 13.943 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.843 15.441 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.446 14.178 -7.131 1.00 0.00 H new ATOM 702 N ASP A 45 -16.850 15.209 -5.637 1.00 0.00 N ATOM 703 CA ASP A 45 -17.405 14.456 -4.507 1.00 0.00 C ATOM 704 C ASP A 45 -16.816 13.033 -4.466 1.00 0.00 C ATOM 705 O ASP A 45 -17.519 12.021 -4.472 1.00 0.00 O ATOM 706 CB ASP A 45 -18.939 14.487 -4.542 1.00 0.00 C ATOM 707 CG ASP A 45 -19.560 13.796 -3.313 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.069 14.003 -2.176 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.589 13.092 -3.469 1.00 0.00 O ATOM 0 H ASP A 45 -17.503 15.289 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.113 14.932 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.279 15.522 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.291 13.996 -5.450 1.00 0.00 H new ATOM 714 N ASP A 46 -15.488 12.975 -4.545 1.00 0.00 N ATOM 715 CA ASP A 46 -14.654 11.795 -4.732 1.00 0.00 C ATOM 716 C ASP A 46 -13.218 12.095 -4.281 1.00 0.00 C ATOM 717 O ASP A 46 -12.560 11.238 -3.688 1.00 0.00 O ATOM 718 CB ASP A 46 -14.665 11.426 -6.222 1.00 0.00 C ATOM 719 CG ASP A 46 -13.537 10.458 -6.599 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.712 9.229 -6.433 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.514 10.932 -7.150 1.00 0.00 O ATOM 0 H ASP A 46 -14.924 13.822 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.040 10.966 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.625 10.975 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.574 12.334 -6.818 1.00 0.00 H new ATOM 726 N GLY A 47 -12.735 13.321 -4.502 1.00 0.00 N ATOM 727 CA GLY A 47 -11.378 13.728 -4.206 1.00 0.00 C ATOM 728 C GLY A 47 -11.006 14.917 -5.079 1.00 0.00 C ATOM 729 O GLY A 47 -11.877 15.687 -5.498 1.00 0.00 O ATOM 0 H GLY A 47 -13.300 14.070 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.288 13.994 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.691 12.901 -4.386 1.00 0.00 H new ATOM 733 N THR A 48 -9.723 15.045 -5.390 1.00 0.00 N ATOM 734 CA THR A 48 -9.199 16.104 -6.239 1.00 0.00 C ATOM 735 C THR A 48 -8.648 15.445 -7.500 1.00 0.00 C ATOM 736 O THR A 48 -8.139 14.324 -7.455 1.00 0.00 O ATOM 737 CB THR A 48 -8.132 16.935 -5.500 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.425 17.073 -4.115 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.970 18.350 -6.068 1.00 0.00 C ATOM 0 H THR A 48 -9.005 14.404 -5.053 1.00 0.00 H new ATOM 0 HA THR A 48 -9.986 16.809 -6.508 1.00 0.00 H new ATOM 0 HB THR A 48 -7.208 16.375 -5.644 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.724 17.605 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.204 18.883 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.674 18.290 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.917 18.884 -5.989 1.00 0.00 H new ATOM 747 N GLU A 49 -8.719 16.148 -8.620 1.00 0.00 N ATOM 748 CA GLU A 49 -8.122 15.759 -9.882 1.00 0.00 C ATOM 749 C GLU A 49 -7.199 16.900 -10.312 1.00 0.00 C ATOM 750 O GLU A 49 -7.654 17.989 -10.663 1.00 0.00 O ATOM 751 CB GLU A 49 -9.202 15.376 -10.911 1.00 0.00 C ATOM 752 CG GLU A 49 -9.876 14.054 -10.493 1.00 0.00 C ATOM 753 CD GLU A 49 -10.964 13.529 -11.455 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.561 14.305 -12.239 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.273 12.314 -11.371 1.00 0.00 O ATOM 0 H GLU A 49 -9.214 17.038 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.520 14.855 -9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.947 16.168 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.755 15.270 -11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.105 13.290 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.322 14.189 -9.508 1.00 0.00 H new ATOM 762 N THR A 50 -5.889 16.672 -10.211 1.00 0.00 N ATOM 763 CA THR A 50 -4.863 17.645 -10.569 1.00 0.00 C ATOM 764 C THR A 50 -4.450 17.373 -12.011 1.00 0.00 C ATOM 765 O THR A 50 -3.756 16.387 -12.254 1.00 0.00 O ATOM 766 CB THR A 50 -3.696 17.554 -9.572 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.130 17.985 -8.293 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.483 18.390 -9.994 1.00 0.00 C ATOM 0 H THR A 50 -5.507 15.789 -9.872 1.00 0.00 H new ATOM 0 HA THR A 50 -5.232 18.669 -10.510 1.00 0.00 H new ATOM 0 HB THR A 50 -3.382 16.511 -9.547 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.386 17.925 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.693 18.285 -9.251 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.120 18.042 -10.961 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.772 19.438 -10.070 1.00 0.00 H new ATOM 776 N HIS A 51 -4.885 18.204 -12.957 1.00 0.00 N ATOM 777 CA HIS A 51 -4.710 18.006 -14.391 1.00 0.00 C ATOM 778 C HIS A 51 -3.413 18.650 -14.880 1.00 0.00 C ATOM 779 O HIS A 51 -3.021 19.707 -14.376 1.00 0.00 O ATOM 780 CB HIS A 51 -5.908 18.596 -15.151 1.00 0.00 C ATOM 781 CG HIS A 51 -7.226 17.913 -14.870 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.776 16.882 -15.601 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.118 18.221 -13.872 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.956 16.559 -15.043 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.215 17.355 -13.990 1.00 0.00 N ATOM 0 H HIS A 51 -5.387 19.064 -12.736 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.652 16.935 -14.583 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.999 19.652 -14.897 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.706 18.542 -16.221 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.996 18.994 -13.128 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.606 15.770 -15.392 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.044 17.333 -13.396 1.00 0.00 H new ATOM 793 N PHE A 52 -2.784 18.032 -15.883 1.00 0.00 N ATOM 794 CA PHE A 52 -1.660 18.548 -16.665 1.00 0.00 C ATOM 795 C PHE A 52 -1.629 17.801 -18.014 1.00 0.00 C ATOM 796 O PHE A 52 -2.480 16.947 -18.267 1.00 0.00 O ATOM 797 CB PHE A 52 -0.345 18.430 -15.871 1.00 0.00 C ATOM 798 CG PHE A 52 0.018 17.058 -15.336 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.451 16.659 -14.072 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.871 16.207 -16.065 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.073 15.418 -13.536 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.254 14.965 -15.519 1.00 0.00 C ATOM 803 CZ PHE A 52 0.790 14.574 -14.251 1.00 0.00 C ATOM 0 H PHE A 52 -3.064 17.100 -16.189 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.783 19.612 -16.869 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.469 18.769 -16.512 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.396 19.119 -15.028 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.105 17.310 -13.511 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.230 16.505 -17.039 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.448 15.112 -12.570 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.907 14.311 -16.078 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.096 13.628 -13.829 1.00 0.00 H new ATOM 813 N SER A 53 -0.673 18.104 -18.895 1.00 0.00 N ATOM 814 CA SER A 53 -0.592 17.526 -20.241 1.00 0.00 C ATOM 815 C SER A 53 0.873 17.321 -20.634 1.00 0.00 C ATOM 816 O SER A 53 1.739 18.097 -20.223 1.00 0.00 O ATOM 817 CB SER A 53 -1.294 18.428 -21.269 1.00 0.00 C ATOM 818 OG SER A 53 -2.639 18.709 -20.901 1.00 0.00 O ATOM 0 H SER A 53 0.076 18.766 -18.693 1.00 0.00 H new ATOM 0 HA SER A 53 -1.099 16.561 -20.232 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.742 19.363 -21.368 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.279 17.944 -22.246 1.00 0.00 H new ATOM 0 HG SER A 53 -3.050 19.286 -21.578 1.00 0.00 H new ATOM 824 N ILE A 54 1.149 16.266 -21.410 1.00 0.00 N ATOM 825 CA ILE A 54 2.481 15.853 -21.847 1.00 0.00 C ATOM 826 C ILE A 54 2.309 15.337 -23.276 1.00 0.00 C ATOM 827 O ILE A 54 1.415 14.527 -23.533 1.00 0.00 O ATOM 828 CB ILE A 54 3.052 14.762 -20.904 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.162 15.267 -19.448 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.433 14.273 -21.388 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.496 14.184 -18.425 1.00 0.00 C ATOM 0 H ILE A 54 0.415 15.652 -21.764 1.00 0.00 H new ATOM 0 HA ILE A 54 3.194 16.677 -21.817 1.00 0.00 H new ATOM 0 HB ILE A 54 2.352 13.927 -20.928 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.928 16.041 -19.402 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.219 15.736 -19.167 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.808 13.509 -20.707 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.340 13.853 -22.389 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.129 15.112 -21.410 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.553 14.628 -17.431 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.719 13.420 -18.437 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.455 13.730 -18.676 1.00 0.00 H new ATOM 843 N GLY A 55 3.152 15.787 -24.209 1.00 0.00 N ATOM 844 CA GLY A 55 3.013 15.425 -25.615 1.00 0.00 C ATOM 845 C GLY A 55 1.634 15.857 -26.116 1.00 0.00 C ATOM 846 O GLY A 55 1.213 16.993 -25.874 1.00 0.00 O ATOM 0 H GLY A 55 3.939 16.405 -24.011 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.794 15.906 -26.205 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.137 14.349 -25.739 1.00 0.00 H new ATOM 850 N ASN A 56 0.917 14.939 -26.771 1.00 0.00 N ATOM 851 CA ASN A 56 -0.458 15.130 -27.230 1.00 0.00 C ATOM 852 C ASN A 56 -1.452 14.369 -26.332 1.00 0.00 C ATOM 853 O ASN A 56 -2.470 13.862 -26.814 1.00 0.00 O ATOM 854 CB ASN A 56 -0.574 14.755 -28.720 1.00 0.00 C ATOM 855 CG ASN A 56 -1.900 15.212 -29.340 1.00 0.00 C ATOM 856 OD1 ASN A 56 -2.519 16.181 -28.903 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.342 14.558 -30.405 1.00 0.00 N ATOM 0 H ASN A 56 1.289 14.018 -27.002 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.725 16.183 -27.145 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.254 15.203 -29.269 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.480 13.674 -28.828 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.200 14.857 -30.867 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.824 13.755 -30.762 1.00 0.00 H new ATOM 864 N HIS A 57 -1.142 14.236 -25.037 1.00 0.00 N ATOM 865 CA HIS A 57 -1.927 13.478 -24.067 1.00 0.00 C ATOM 866 C HIS A 57 -2.187 14.349 -22.837 1.00 0.00 C ATOM 867 O HIS A 57 -1.335 15.152 -22.452 1.00 0.00 O ATOM 868 CB HIS A 57 -1.185 12.192 -23.671 1.00 0.00 C ATOM 869 CG HIS A 57 -0.737 11.349 -24.845 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.521 10.497 -25.592 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.522 11.317 -25.386 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.750 9.970 -26.561 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.511 10.439 -26.477 1.00 0.00 N ATOM 0 H HIS A 57 -0.313 14.667 -24.627 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.881 13.196 -24.513 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.312 12.458 -23.075 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.835 11.592 -23.034 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.377 11.874 -25.031 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.095 9.267 -27.305 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.296 10.203 -27.084 1.00 0.00 H new ATOM 881 N ASP A 58 -3.347 14.175 -22.202 1.00 0.00 N ATOM 882 CA ASP A 58 -3.646 14.774 -20.904 1.00 0.00 C ATOM 883 C ASP A 58 -3.451 13.734 -19.806 1.00 0.00 C ATOM 884 O ASP A 58 -3.605 12.524 -20.022 1.00 0.00 O ATOM 885 CB ASP A 58 -5.035 15.411 -20.838 1.00 0.00 C ATOM 886 CG ASP A 58 -6.120 14.416 -20.384 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.640 13.658 -21.237 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.475 14.416 -19.181 1.00 0.00 O ATOM 0 H ASP A 58 -4.109 13.611 -22.578 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.946 15.596 -20.751 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.011 16.256 -20.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.297 15.806 -21.820 1.00 0.00 H new ATOM 893 N CYS A 59 -3.085 14.221 -18.627 1.00 0.00 N ATOM 894 CA CYS A 59 -2.814 13.442 -17.436 1.00 0.00 C ATOM 895 C CYS A 59 -3.527 14.099 -16.263 1.00 0.00 C ATOM 896 O CYS A 59 -3.680 15.324 -16.244 1.00 0.00 O ATOM 897 CB CYS A 59 -1.313 13.425 -17.119 1.00 0.00 C ATOM 898 SG CYS A 59 -0.277 13.265 -18.603 1.00 0.00 S ATOM 0 H CYS A 59 -2.964 15.222 -18.473 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.158 12.421 -17.601 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.047 14.343 -16.594 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.099 12.598 -16.442 1.00 0.00 H new ATOM 0 HG CYS A 59 0.719 12.468 -18.353 1.00 0.00 H new ATOM 904 N TYR A 60 -3.909 13.326 -15.250 1.00 0.00 N ATOM 905 CA TYR A 60 -4.363 13.912 -14.008 1.00 0.00 C ATOM 906 C TYR A 60 -4.009 13.009 -12.848 1.00 0.00 C ATOM 907 O TYR A 60 -4.090 11.791 -12.960 1.00 0.00 O ATOM 908 CB TYR A 60 -5.844 14.302 -14.051 1.00 0.00 C ATOM 909 CG TYR A 60 -6.861 13.202 -14.295 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.216 12.309 -13.266 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.504 13.118 -15.543 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.224 11.350 -13.475 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.544 12.199 -15.744 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.928 11.322 -14.704 1.00 0.00 C ATOM 915 OH TYR A 60 -9.921 10.412 -14.935 1.00 0.00 O ATOM 0 H TYR A 60 -3.911 12.306 -15.270 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.836 14.854 -13.857 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.091 14.782 -13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.970 15.053 -14.831 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.712 12.360 -12.312 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.195 13.765 -16.351 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.461 10.636 -12.700 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.053 12.161 -16.696 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.718 10.875 -15.269 1.00 0.00 H new ATOM 925 N ILE A 61 -3.635 13.590 -11.714 1.00 0.00 N ATOM 926 CA ILE A 61 -3.483 12.830 -10.484 1.00 0.00 C ATOM 927 C ILE A 61 -4.857 12.835 -9.838 1.00 0.00 C ATOM 928 O ILE A 61 -5.380 13.904 -9.524 1.00 0.00 O ATOM 929 CB ILE A 61 -2.360 13.419 -9.614 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.995 13.198 -10.299 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.345 12.799 -8.205 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.017 14.279 -9.919 1.00 0.00 C ATOM 0 H ILE A 61 -3.432 14.585 -11.623 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.167 11.800 -10.648 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.549 14.487 -9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.603 12.220 -10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.129 13.191 -11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.538 13.241 -7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.298 12.993 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.189 11.723 -8.283 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.964 14.085 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.362 15.255 -10.222 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.172 14.269 -8.840 1.00 0.00 H new ATOM 944 N LYS A 62 -5.447 11.656 -9.654 1.00 0.00 N ATOM 945 CA LYS A 62 -6.687 11.472 -8.923 1.00 0.00 C ATOM 946 C LYS A 62 -6.257 11.248 -7.483 1.00 0.00 C ATOM 947 O LYS A 62 -5.732 10.188 -7.147 1.00 0.00 O ATOM 948 CB LYS A 62 -7.470 10.315 -9.568 1.00 0.00 C ATOM 949 CG LYS A 62 -8.965 10.263 -9.207 1.00 0.00 C ATOM 950 CD LYS A 62 -9.669 9.208 -10.085 1.00 0.00 C ATOM 951 CE LYS A 62 -11.145 8.956 -9.736 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.980 10.185 -9.748 1.00 0.00 N ATOM 0 H LYS A 62 -5.063 10.785 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.375 12.317 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.375 10.391 -10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.007 9.373 -9.273 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.087 10.015 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.421 11.241 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.606 9.523 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.125 8.267 -10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.559 8.239 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.203 8.498 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.912 9.968 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.101 10.532 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.513 10.916 -10.321 1.00 0.00 H new ATOM 966 N ALA A 63 -6.380 12.290 -6.670 1.00 0.00 N ATOM 967 CA ALA A 63 -6.112 12.270 -5.250 1.00 0.00 C ATOM 968 C ALA A 63 -7.451 11.978 -4.580 1.00 0.00 C ATOM 969 O ALA A 63 -8.246 12.883 -4.342 1.00 0.00 O ATOM 970 CB ALA A 63 -5.493 13.605 -4.843 1.00 0.00 C ATOM 0 H ALA A 63 -6.682 13.206 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.393 11.508 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.287 13.599 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.563 13.757 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.186 14.413 -5.075 1.00 0.00 H new ATOM 976 N VAL A 64 -7.733 10.704 -4.359 1.00 0.00 N ATOM 977 CA VAL A 64 -9.014 10.180 -3.942 1.00 0.00 C ATOM 978 C VAL A 64 -9.093 10.202 -2.419 1.00 0.00 C ATOM 979 O VAL A 64 -8.211 9.650 -1.770 1.00 0.00 O ATOM 980 CB VAL A 64 -9.186 8.732 -4.468 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.634 8.507 -4.906 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.244 8.306 -5.612 1.00 0.00 C ATOM 0 H VAL A 64 -7.032 9.972 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.814 10.796 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.910 8.104 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.748 7.488 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.299 8.663 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.888 9.210 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.458 7.275 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.398 8.958 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.209 8.383 -5.279 1.00 0.00 H new ATOM 992 N SER A 65 -10.147 10.744 -1.820 1.00 0.00 N ATOM 993 CA SER A 65 -10.308 10.817 -0.366 1.00 0.00 C ATOM 994 C SER A 65 -10.856 9.503 0.228 1.00 0.00 C ATOM 995 O SER A 65 -11.616 9.525 1.198 1.00 0.00 O ATOM 996 CB SER A 65 -11.160 12.047 -0.009 1.00 0.00 C ATOM 997 OG SER A 65 -10.665 13.209 -0.667 1.00 0.00 O ATOM 0 H SER A 65 -10.927 11.152 -2.335 1.00 0.00 H new ATOM 0 HA SER A 65 -9.328 10.942 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.197 11.874 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.150 12.202 1.070 1.00 0.00 H new ATOM 0 HG SER A 65 -11.220 13.981 -0.430 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.854 10.205 1.857 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.997 10.398 0.427 1.00 0.00 C ATOM 1113 C ILE A 73 -5.110 9.353 -0.267 1.00 0.00 C ATOM 1114 O ILE A 73 -3.925 9.219 0.055 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.638 11.860 0.064 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.670 12.914 0.540 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.536 12.059 -1.455 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.976 12.988 2.035 1.00 0.00 C ATOM 0 HA ILE A 73 -7.022 10.250 0.088 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.688 12.014 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.318 13.895 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.607 12.726 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.283 13.097 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.761 11.406 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.492 11.815 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.714 13.769 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.371 12.030 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.062 13.217 2.583 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.669 8.642 -1.248 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.948 7.762 -2.160 1.00 0.00 C ATOM 1132 C ILE A 74 -4.525 8.642 -3.331 1.00 0.00 C ATOM 1133 O ILE A 74 -5.348 9.406 -3.826 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.867 6.595 -2.594 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -6.356 5.771 -1.381 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -5.197 5.683 -3.641 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -5.263 5.089 -0.547 1.00 0.00 C ATOM 0 H ILE A 74 -6.672 8.666 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.072 7.301 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.738 7.048 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.927 6.429 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.043 5.004 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.881 4.879 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.951 6.267 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.285 5.257 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.722 4.541 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.703 4.397 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.586 5.844 -0.147 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.283 8.544 -3.803 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.826 9.280 -4.978 1.00 0.00 C ATOM 1151 C HIS A 75 -2.610 8.279 -6.111 1.00 0.00 C ATOM 1152 O HIS A 75 -1.858 7.316 -5.942 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.556 10.077 -4.648 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.813 11.230 -3.710 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.887 11.178 -2.333 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.032 12.531 -4.075 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.140 12.422 -1.886 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.243 13.284 -2.914 1.00 0.00 N ATOM 0 H HIS A 75 -2.567 7.953 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.572 10.009 -5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.820 9.409 -4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.121 10.457 -5.572 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.771 10.345 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.041 12.911 -5.086 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.246 12.691 -0.845 1.00 0.00 H new ATOM 1166 N THR A 76 -3.227 8.526 -7.269 1.00 0.00 N ATOM 1167 CA THR A 76 -3.054 7.722 -8.473 1.00 0.00 C ATOM 1168 C THR A 76 -2.797 8.660 -9.640 1.00 0.00 C ATOM 1169 O THR A 76 -3.422 9.716 -9.701 1.00 0.00 O ATOM 1170 CB THR A 76 -4.301 6.858 -8.742 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.848 6.321 -7.546 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.941 5.703 -9.672 1.00 0.00 C ATOM 0 H THR A 76 -3.872 9.306 -7.394 1.00 0.00 H new ATOM 0 HA THR A 76 -2.210 7.045 -8.343 1.00 0.00 H new ATOM 0 HB THR A 76 -5.047 7.507 -9.202 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.637 5.782 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.827 5.096 -9.858 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.568 6.099 -10.616 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.171 5.088 -9.207 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.925 8.289 -10.575 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.786 9.016 -11.825 1.00 0.00 C ATOM 1182 C LEU A 77 -2.711 8.360 -12.831 1.00 0.00 C ATOM 1183 O LEU A 77 -2.711 7.143 -12.966 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.324 9.012 -12.293 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.117 9.642 -13.682 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.393 11.149 -13.671 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.316 9.397 -14.156 1.00 0.00 C ATOM 0 H LEU A 77 -1.304 7.485 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.062 10.064 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.283 9.551 -11.565 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.039 7.984 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.825 9.171 -14.364 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.236 11.555 -14.670 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.424 11.328 -13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.284 11.638 -12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.456 9.845 -15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.015 9.846 -13.450 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.501 8.324 -14.217 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.503 9.153 -13.532 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.287 8.747 -14.674 1.00 0.00 C ATOM 1201 C ILE A 78 -3.653 9.458 -15.877 1.00 0.00 C ATOM 1202 O ILE A 78 -3.230 10.611 -15.761 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.778 9.086 -14.452 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.549 8.002 -13.668 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.508 9.308 -15.781 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.110 7.876 -12.217 1.00 0.00 C ATOM 0 H ILE A 78 -3.619 10.141 -13.306 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.277 7.670 -14.843 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.765 10.001 -13.859 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.614 8.231 -13.699 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.415 7.041 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.554 9.544 -15.586 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.043 10.135 -16.318 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.447 8.403 -16.385 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.693 7.096 -11.727 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.052 7.616 -12.178 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.270 8.825 -11.705 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.601 8.804 -17.034 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.151 9.378 -18.292 1.00 0.00 C ATOM 1220 C VAL A 79 -4.095 8.882 -19.377 1.00 0.00 C ATOM 1221 O VAL A 79 -4.367 7.686 -19.432 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.683 8.999 -18.572 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.158 9.677 -19.844 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.781 9.371 -17.388 1.00 0.00 C ATOM 0 H VAL A 79 -3.881 7.827 -17.121 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.176 10.467 -18.259 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.657 7.919 -18.716 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.120 9.387 -20.009 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.762 9.367 -20.697 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.218 10.759 -19.731 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.248 9.092 -17.613 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.836 10.445 -17.212 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.114 8.840 -16.496 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.617 9.786 -20.211 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.617 9.474 -21.242 1.00 0.00 C ATOM 1236 C ASP A 80 -6.782 8.641 -20.674 1.00 0.00 C ATOM 1237 O ASP A 80 -7.256 7.687 -21.289 1.00 0.00 O ATOM 1238 CB ASP A 80 -4.949 8.857 -22.484 1.00 0.00 C ATOM 1239 CG ASP A 80 -5.934 8.693 -23.657 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.752 9.612 -23.912 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -5.852 7.670 -24.378 1.00 0.00 O ATOM 0 H ASP A 80 -4.354 10.771 -20.190 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.074 10.405 -21.578 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.117 9.487 -22.797 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.532 7.884 -22.224 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.211 8.980 -19.447 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.248 8.296 -18.652 1.00 0.00 C ATOM 1248 C ASN A 81 -7.897 6.852 -18.224 1.00 0.00 C ATOM 1249 O ASN A 81 -8.703 6.196 -17.563 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.632 8.450 -19.318 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.789 7.950 -18.450 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.466 6.986 -18.798 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.071 8.596 -17.325 1.00 0.00 N ATOM 0 H ASN A 81 -6.822 9.784 -18.954 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.294 8.809 -17.691 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.796 9.501 -19.557 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.635 7.904 -20.262 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.853 8.292 -16.745 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.506 9.396 -17.041 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.690 6.346 -18.518 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.200 5.059 -18.036 1.00 0.00 C ATOM 1262 C ARG A 82 -5.485 5.261 -16.716 1.00 0.00 C ATOM 1263 O ARG A 82 -4.858 6.293 -16.505 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.261 4.401 -19.058 1.00 0.00 C ATOM 1265 CG ARG A 82 -6.044 3.733 -20.184 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.697 4.698 -21.179 1.00 0.00 C ATOM 1267 NE ARG A 82 -7.317 3.992 -22.316 1.00 0.00 N ATOM 1268 CZ ARG A 82 -8.106 4.564 -23.235 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -8.359 5.869 -23.190 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.650 3.820 -24.197 1.00 0.00 N ATOM 0 H ARG A 82 -6.018 6.835 -19.110 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.050 4.391 -17.895 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.591 5.153 -19.475 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.637 3.660 -18.557 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.372 3.071 -20.730 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.821 3.107 -19.745 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.454 5.290 -20.665 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.947 5.395 -21.552 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.131 2.993 -22.409 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.951 6.442 -22.452 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.961 6.296 -23.894 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.465 2.817 -24.232 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.251 4.253 -24.898 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.567 4.270 -15.841 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.017 4.332 -14.501 1.00 0.00 C ATOM 1286 C GLU A 83 -3.589 3.782 -14.492 1.00 0.00 C ATOM 1287 O GLU A 83 -3.333 2.724 -15.072 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.974 3.620 -13.537 1.00 0.00 C ATOM 1289 CG GLU A 83 -5.444 3.596 -12.108 1.00 0.00 C ATOM 1290 CD GLU A 83 -6.448 2.931 -11.146 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.388 3.616 -10.674 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -6.300 1.721 -10.855 1.00 0.00 O ATOM 0 H GLU A 83 -6.027 3.384 -16.050 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.933 5.363 -14.156 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.942 4.120 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.137 2.598 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.498 3.056 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.241 4.614 -11.777 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.677 4.500 -13.829 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.248 4.228 -13.783 1.00 0.00 C ATOM 1301 C ILE A 84 -0.850 3.974 -12.312 1.00 0.00 C ATOM 1302 O ILE A 84 -0.933 4.894 -11.490 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.463 5.405 -14.416 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.993 5.884 -15.785 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.023 5.036 -14.518 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.004 4.836 -16.905 1.00 0.00 C ATOM 0 H ILE A 84 -2.934 5.324 -13.286 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.001 3.340 -14.365 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.609 6.253 -13.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.010 6.253 -15.650 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.387 6.729 -16.111 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.574 5.864 -14.963 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.416 4.832 -13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.136 4.149 -15.141 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.395 5.284 -17.818 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.011 4.481 -17.081 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.636 3.997 -16.612 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.409 2.753 -11.959 1.00 0.00 N ATOM 1319 CA PRO A 85 0.106 2.420 -10.629 1.00 0.00 C ATOM 1320 C PRO A 85 1.439 3.125 -10.336 1.00 0.00 C ATOM 1321 O PRO A 85 2.279 3.245 -11.232 1.00 0.00 O ATOM 1322 CB PRO A 85 0.287 0.894 -10.612 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.556 0.396 -11.787 1.00 0.00 C ATOM 1324 CD PRO A 85 -0.501 1.555 -12.774 1.00 0.00 C ATOM 0 HA PRO A 85 -0.587 2.755 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.335 0.617 -10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.052 0.464 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.147 -0.518 -12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.579 0.175 -11.483 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.359 1.465 -13.438 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.390 1.576 -13.405 1.00 0.00 H new ATOM 1332 N GLU A 86 1.657 3.552 -9.084 1.00 0.00 N ATOM 1333 CA GLU A 86 2.947 4.070 -8.625 1.00 0.00 C ATOM 1334 C GLU A 86 4.017 2.968 -8.719 1.00 0.00 C ATOM 1335 O GLU A 86 3.704 1.771 -8.790 1.00 0.00 O ATOM 1336 CB GLU A 86 2.826 4.706 -7.233 1.00 0.00 C ATOM 1337 CG GLU A 86 2.935 3.716 -6.072 1.00 0.00 C ATOM 1338 CD GLU A 86 2.713 4.419 -4.719 1.00 0.00 C ATOM 1339 OE1 GLU A 86 1.581 4.894 -4.458 1.00 0.00 O ATOM 1340 OE2 GLU A 86 3.670 4.510 -3.914 1.00 0.00 O ATOM 0 H GLU A 86 0.938 3.546 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 86 3.273 4.878 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.604 5.462 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.868 5.222 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.199 2.922 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.918 3.245 -6.083 1.00 0.00 H new