USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 113 SER OG : rot -46:sc= 0.334 USER MOD Set 1.2: A 117 GLN :FLIP amide:sc= 0.315 F(o=-0.093,f=0.65) USER MOD Set 2.1: A 45 SER OG : rot 32:sc= 0.578 USER MOD Set 2.2: A 66 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 10 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-5.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= -0.448 (180deg=-1.3!) USER MOD Single : A 18 HIS : no HD1:sc= -7.86! C(o=-7.9!,f=-9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 174:sc= -8.81! (180deg=-9.18!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.468 (180deg=-1.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= -1.22 (180deg=-1.86!) USER MOD Single : A 53 TYR OH : rot 117:sc= 0.584 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 36:sc= 0.684 USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 60 THR OG1 : rot -172:sc= -2.24! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= 0.0372 (180deg=0.00475) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.038) USER MOD Single : A 90 LYS NZ :NH3+ -132:sc= -0.961 (180deg=-3.05!) USER MOD Single : A 93 ASN : amide:sc= -2.24 K(o=-2.2,f=-12!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.419 F(o=-1.2,f=-0.42) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 165:sc= -6.28! (180deg=-8.06!) USER MOD Single : A 108 SER OG : rot 85:sc= 0.394 USER MOD Single : A 109 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.45) USER MOD Single : A 112 THR OG1 : rot -40:sc= -0.938 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 24:sc= -5.58! USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.650 6.125 -15.241 1.00 0.00 N ATOM 89 CA HIS A 10 -4.819 6.285 -16.433 1.00 0.00 C ATOM 90 C HIS A 10 -4.571 4.953 -17.107 1.00 0.00 C ATOM 91 O HIS A 10 -4.987 3.882 -16.653 1.00 0.00 O ATOM 92 CB HIS A 10 -3.484 6.904 -15.983 1.00 0.00 C ATOM 93 CG HIS A 10 -3.145 8.154 -16.751 1.00 0.00 C ATOM 94 ND1 HIS A 10 -2.239 9.133 -16.352 1.00 0.00 N ATOM 95 CD2 HIS A 10 -3.715 8.458 -17.979 1.00 0.00 C ATOM 96 CE1 HIS A 10 -2.330 9.971 -17.402 1.00 0.00 C ATOM 97 NE2 HIS A 10 -3.186 9.647 -18.408 1.00 0.00 N ATOM 0 HA HIS A 10 -5.324 6.926 -17.156 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.534 7.136 -14.919 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.686 6.173 -16.112 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.447 7.862 -18.504 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.740 10.875 -17.444 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.384 10.160 -19.267 1.00 0.00 H new ATOM 105 N GLU A 11 -3.843 5.012 -18.213 1.00 0.00 N ATOM 106 CA GLU A 11 -3.588 3.844 -19.048 1.00 0.00 C ATOM 107 C GLU A 11 -2.572 4.157 -20.121 1.00 0.00 C ATOM 108 O GLU A 11 -2.727 5.100 -20.908 1.00 0.00 O ATOM 109 CB GLU A 11 -4.937 3.377 -19.664 1.00 0.00 C ATOM 110 CG GLU A 11 -6.157 4.350 -19.550 1.00 0.00 C ATOM 111 CD GLU A 11 -7.469 3.805 -18.979 1.00 0.00 C ATOM 112 OE1 GLU A 11 -8.222 3.124 -19.886 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.807 3.968 -17.814 1.00 0.00 O ATOM 0 H GLU A 11 -3.412 5.870 -18.558 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.168 3.041 -18.442 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.770 3.169 -20.721 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.214 2.434 -19.193 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.852 5.195 -18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.365 4.741 -20.546 1.00 0.00 H new ATOM 120 N GLY A 12 -1.503 3.385 -20.161 1.00 0.00 N ATOM 121 CA GLY A 12 -0.500 3.504 -21.215 1.00 0.00 C ATOM 122 C GLY A 12 0.307 2.233 -21.341 1.00 0.00 C ATOM 123 O GLY A 12 -0.199 1.120 -21.156 1.00 0.00 O ATOM 0 H GLY A 12 -1.301 2.661 -19.471 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.989 3.724 -22.164 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.164 4.340 -20.997 1.00 0.00 H new ATOM 127 N TYR A 13 1.581 2.379 -21.647 1.00 0.00 N ATOM 128 CA TYR A 13 2.506 1.248 -21.660 1.00 0.00 C ATOM 129 C TYR A 13 3.849 1.646 -21.091 1.00 0.00 C ATOM 130 O TYR A 13 4.676 2.286 -21.749 1.00 0.00 O ATOM 131 CB TYR A 13 2.731 0.722 -23.108 1.00 0.00 C ATOM 132 CG TYR A 13 2.644 1.753 -24.237 1.00 0.00 C ATOM 133 CD1 TYR A 13 1.396 2.251 -24.630 1.00 0.00 C ATOM 134 CD2 TYR A 13 3.800 2.212 -24.877 1.00 0.00 C ATOM 135 CE1 TYR A 13 1.308 3.205 -25.640 1.00 0.00 C ATOM 136 CE2 TYR A 13 3.711 3.190 -25.865 1.00 0.00 C ATOM 137 CZ TYR A 13 2.464 3.654 -26.274 1.00 0.00 C ATOM 138 OH TYR A 13 2.376 4.554 -27.299 1.00 0.00 O ATOM 0 H TYR A 13 2.007 3.273 -21.892 1.00 0.00 H new ATOM 0 HA TYR A 13 2.058 0.464 -21.049 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.714 0.253 -23.151 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.997 -0.059 -23.304 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.498 1.894 -24.148 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.764 1.807 -24.605 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.345 3.596 -25.932 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.609 3.588 -26.313 1.00 0.00 H new ATOM 0 HH TYR A 13 3.275 4.763 -27.629 1.00 0.00 H new ATOM 148 N VAL A 14 4.093 1.248 -19.856 1.00 0.00 N ATOM 149 CA VAL A 14 5.283 1.677 -19.126 1.00 0.00 C ATOM 150 C VAL A 14 5.784 0.592 -18.201 1.00 0.00 C ATOM 151 O VAL A 14 5.412 -0.582 -18.289 1.00 0.00 O ATOM 152 CB VAL A 14 4.978 2.983 -18.290 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.187 4.103 -19.020 1.00 0.00 C ATOM 154 CG2 VAL A 14 4.198 2.715 -16.978 1.00 0.00 C ATOM 0 H VAL A 14 3.481 0.624 -19.330 1.00 0.00 H new ATOM 0 HA VAL A 14 6.059 1.890 -19.862 1.00 0.00 H new ATOM 0 HB VAL A 14 5.994 3.328 -18.101 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.041 4.945 -18.344 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.747 4.433 -19.895 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.217 3.718 -19.335 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.025 3.657 -16.458 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.241 2.249 -17.212 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.778 2.049 -16.339 1.00 0.00 H new ATOM 164 N THR A 15 6.633 1.004 -17.270 1.00 0.00 N ATOM 165 CA THR A 15 7.082 0.118 -16.202 1.00 0.00 C ATOM 166 C THR A 15 6.291 0.364 -14.938 1.00 0.00 C ATOM 167 O THR A 15 6.010 1.507 -14.559 1.00 0.00 O ATOM 168 CB THR A 15 8.616 0.288 -15.934 1.00 0.00 C ATOM 169 OG1 THR A 15 9.371 -0.533 -16.815 1.00 0.00 O ATOM 170 CG2 THR A 15 9.112 -0.099 -14.524 1.00 0.00 C ATOM 0 H THR A 15 7.025 1.945 -17.231 1.00 0.00 H new ATOM 0 HA THR A 15 6.909 -0.909 -16.524 1.00 0.00 H new ATOM 0 HB THR A 15 8.761 1.359 -16.074 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.327 -0.413 -16.635 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.188 0.062 -14.460 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.608 0.517 -13.779 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.890 -1.149 -14.336 1.00 0.00 H new ATOM 178 N ARG A 16 5.895 -0.708 -14.281 1.00 0.00 N ATOM 179 CA ARG A 16 5.031 -0.626 -13.107 1.00 0.00 C ATOM 180 C ARG A 16 5.220 -1.835 -12.222 1.00 0.00 C ATOM 181 O ARG A 16 5.703 -2.889 -12.653 1.00 0.00 O ATOM 182 CB ARG A 16 3.552 -0.486 -13.564 1.00 0.00 C ATOM 183 CG ARG A 16 2.706 0.508 -12.724 1.00 0.00 C ATOM 184 CD ARG A 16 1.334 0.806 -13.345 1.00 0.00 C ATOM 185 NE ARG A 16 0.295 0.160 -12.504 1.00 0.00 N ATOM 186 CZ ARG A 16 -0.835 0.705 -12.078 1.00 0.00 C ATOM 187 NH1 ARG A 16 -1.194 1.932 -12.312 1.00 0.00 N ATOM 188 NH2 ARG A 16 -1.627 -0.035 -11.383 1.00 0.00 N ATOM 0 H ARG A 16 6.158 -1.659 -14.540 1.00 0.00 H new ATOM 0 HA ARG A 16 5.300 0.252 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.536 -0.165 -14.606 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.079 -1.467 -13.525 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.564 0.100 -11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.258 1.441 -12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.166 1.882 -13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.288 0.426 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 16 0.470 -0.805 -12.225 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.589 2.545 -12.858 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.081 2.282 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.374 -1.002 -11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.507 0.346 -11.036 1.00 0.00 H new ATOM 202 N LYS A 17 4.840 -1.704 -10.965 1.00 0.00 N ATOM 203 CA LYS A 17 4.857 -2.820 -10.023 1.00 0.00 C ATOM 204 C LYS A 17 3.685 -2.729 -9.074 1.00 0.00 C ATOM 205 O LYS A 17 3.661 -1.904 -8.150 1.00 0.00 O ATOM 206 CB LYS A 17 6.204 -2.826 -9.252 1.00 0.00 C ATOM 207 CG LYS A 17 6.966 -4.172 -9.338 1.00 0.00 C ATOM 208 CD LYS A 17 6.424 -5.277 -8.425 1.00 0.00 C ATOM 209 CE LYS A 17 6.334 -6.586 -9.220 1.00 0.00 C ATOM 210 NZ LYS A 17 5.401 -6.410 -10.347 1.00 0.00 N ATOM 0 H LYS A 17 4.511 -0.826 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 17 4.765 -3.758 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.840 -2.033 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.014 -2.593 -8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.936 -4.525 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.013 -3.997 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.077 -5.405 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.441 -5.001 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.320 -6.868 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.993 -7.394 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.023 -7.336 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.618 -5.791 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.903 -5.979 -11.149 1.00 0.00 H new ATOM 224 N HIS A 18 2.696 -3.585 -9.259 1.00 0.00 N ATOM 225 CA HIS A 18 1.445 -3.484 -8.509 1.00 0.00 C ATOM 226 C HIS A 18 1.343 -4.543 -7.436 1.00 0.00 C ATOM 227 O HIS A 18 0.286 -5.163 -7.242 1.00 0.00 O ATOM 228 CB HIS A 18 0.313 -3.666 -9.536 1.00 0.00 C ATOM 229 CG HIS A 18 0.630 -4.703 -10.573 1.00 0.00 C ATOM 230 ND1 HIS A 18 1.070 -4.444 -11.870 1.00 0.00 N ATOM 231 CD2 HIS A 18 0.511 -6.066 -10.339 1.00 0.00 C ATOM 232 CE1 HIS A 18 1.180 -5.705 -12.330 1.00 0.00 C ATOM 233 NE2 HIS A 18 0.871 -6.726 -11.484 1.00 0.00 N ATOM 0 H HIS A 18 2.729 -4.360 -9.921 1.00 0.00 H new ATOM 0 HA HIS A 18 1.388 -2.522 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.602 -3.948 -9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.119 -2.713 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.191 -6.526 -9.416 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.504 -5.901 -13.341 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.900 -7.730 -11.659 1.00 0.00 H new ATOM 445 N TRP A 32 9.929 -4.821 -11.558 1.00 0.00 N ATOM 446 CA TRP A 32 8.796 -4.108 -12.149 1.00 0.00 C ATOM 447 C TRP A 32 8.583 -4.553 -13.575 1.00 0.00 C ATOM 448 O TRP A 32 9.537 -4.642 -14.370 1.00 0.00 O ATOM 449 CB TRP A 32 9.068 -2.577 -12.117 1.00 0.00 C ATOM 450 CG TRP A 32 9.444 -1.972 -10.755 1.00 0.00 C ATOM 451 CD1 TRP A 32 9.996 -2.648 -9.649 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.398 -0.637 -10.392 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.308 -1.765 -8.597 1.00 0.00 N ATOM 454 CE2 TRP A 32 9.924 -0.524 -9.081 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.926 0.513 -11.079 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.981 0.737 -8.448 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.936 1.737 -10.409 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.490 1.855 -9.127 1.00 0.00 C ATOM 0 HA TRP A 32 7.899 -4.332 -11.571 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.872 -2.359 -12.820 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.178 -2.065 -12.483 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.160 -3.715 -9.612 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.720 -1.987 -7.691 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.568 0.442 -12.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.397 0.836 -7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.510 2.607 -10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.538 2.826 -8.656 1.00 0.00 H new ATOM 469 N ASP A 33 7.351 -4.840 -13.948 1.00 0.00 N ATOM 470 CA ASP A 33 7.059 -5.421 -15.259 1.00 0.00 C ATOM 471 C ASP A 33 6.625 -4.367 -16.251 1.00 0.00 C ATOM 472 O ASP A 33 5.817 -3.480 -15.955 1.00 0.00 O ATOM 473 CB ASP A 33 6.002 -6.547 -15.119 1.00 0.00 C ATOM 474 CG ASP A 33 5.763 -7.099 -13.706 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.466 -7.959 -13.197 1.00 0.00 O ATOM 476 OD2 ASP A 33 4.693 -6.518 -13.085 1.00 0.00 O ATOM 0 H ASP A 33 6.529 -4.682 -13.365 1.00 0.00 H new ATOM 0 HA ASP A 33 7.976 -5.860 -15.652 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.053 -6.172 -15.502 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.301 -7.375 -15.762 1.00 0.00 H new ATOM 481 N LYS A 34 7.159 -4.457 -17.456 1.00 0.00 N ATOM 482 CA LYS A 34 6.736 -3.609 -18.567 1.00 0.00 C ATOM 483 C LYS A 34 5.529 -4.197 -19.258 1.00 0.00 C ATOM 484 O LYS A 34 5.550 -5.351 -19.719 1.00 0.00 O ATOM 485 CB LYS A 34 7.917 -3.430 -19.562 1.00 0.00 C ATOM 486 CG LYS A 34 7.567 -2.544 -20.783 1.00 0.00 C ATOM 487 CD LYS A 34 8.769 -1.876 -21.459 1.00 0.00 C ATOM 488 CE LYS A 34 9.056 -0.536 -20.770 1.00 0.00 C ATOM 489 NZ LYS A 34 10.513 -0.350 -20.646 1.00 0.00 N ATOM 0 H LYS A 34 7.898 -5.118 -17.696 1.00 0.00 H new ATOM 0 HA LYS A 34 6.450 -2.630 -18.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.763 -2.990 -19.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.237 -4.411 -19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.047 -3.155 -21.520 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.871 -1.769 -20.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.643 -2.525 -21.397 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.564 -1.717 -22.518 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.622 0.282 -21.346 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.591 -0.514 -19.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.708 0.558 -20.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.915 -1.124 -20.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.945 -0.353 -21.592 1.00 0.00 H new ATOM 503 N VAL A 35 4.457 -3.432 -19.364 1.00 0.00 N ATOM 504 CA VAL A 35 3.193 -3.956 -19.878 1.00 0.00 C ATOM 505 C VAL A 35 2.279 -2.851 -20.360 1.00 0.00 C ATOM 506 O VAL A 35 2.565 -1.655 -20.238 1.00 0.00 O ATOM 507 CB VAL A 35 2.479 -4.809 -18.756 1.00 0.00 C ATOM 508 CG1 VAL A 35 2.813 -6.325 -18.722 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.744 -4.302 -17.319 1.00 0.00 C ATOM 0 H VAL A 35 4.431 -2.446 -19.103 1.00 0.00 H new ATOM 0 HA VAL A 35 3.414 -4.590 -20.737 1.00 0.00 H new ATOM 0 HB VAL A 35 1.439 -4.674 -19.055 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.263 -6.801 -17.910 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.528 -6.782 -19.670 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.883 -6.458 -18.562 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.220 -4.939 -16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.814 -4.332 -17.114 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.384 -3.278 -17.223 1.00 0.00 H new ATOM 519 N TYR A 36 1.141 -3.256 -20.901 1.00 0.00 N ATOM 520 CA TYR A 36 0.079 -2.327 -21.277 1.00 0.00 C ATOM 521 C TYR A 36 -0.928 -2.195 -20.158 1.00 0.00 C ATOM 522 O TYR A 36 -1.914 -2.937 -20.043 1.00 0.00 O ATOM 523 CB TYR A 36 -0.671 -2.814 -22.553 1.00 0.00 C ATOM 524 CG TYR A 36 0.085 -2.735 -23.886 1.00 0.00 C ATOM 525 CD1 TYR A 36 1.475 -2.591 -23.913 1.00 0.00 C ATOM 526 CD2 TYR A 36 -0.625 -2.804 -25.089 1.00 0.00 C ATOM 527 CE1 TYR A 36 2.144 -2.494 -25.131 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.045 -2.698 -26.305 1.00 0.00 C ATOM 529 CZ TYR A 36 1.424 -2.511 -26.324 1.00 0.00 C ATOM 530 OH TYR A 36 2.076 -2.347 -27.513 1.00 0.00 O ATOM 0 H TYR A 36 0.925 -4.234 -21.093 1.00 0.00 H new ATOM 0 HA TYR A 36 0.549 -1.364 -21.477 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.968 -3.851 -22.395 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.587 -2.231 -22.649 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.031 -2.555 -22.988 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.696 -2.940 -25.075 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.220 -2.406 -25.151 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.505 -2.761 -27.232 1.00 0.00 H new ATOM 0 HH TYR A 36 1.430 -2.385 -28.249 1.00 0.00 H new ATOM 540 N MET A 37 -0.680 -1.241 -19.276 1.00 0.00 N ATOM 541 CA MET A 37 -1.478 -1.084 -18.066 1.00 0.00 C ATOM 542 C MET A 37 -2.737 -0.288 -18.326 1.00 0.00 C ATOM 543 O MET A 37 -2.786 0.662 -19.113 1.00 0.00 O ATOM 544 CB MET A 37 -0.629 -0.399 -16.958 1.00 0.00 C ATOM 545 CG MET A 37 0.784 -0.979 -16.731 1.00 0.00 C ATOM 546 SD MET A 37 2.031 0.285 -17.027 1.00 0.00 S ATOM 547 CE MET A 37 0.945 1.704 -17.209 1.00 0.00 C ATOM 0 H MET A 37 0.072 -0.559 -19.374 1.00 0.00 H new ATOM 0 HA MET A 37 -1.779 -2.077 -17.732 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.531 0.658 -17.205 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.179 -0.457 -16.019 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.871 -1.354 -15.711 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.949 -1.826 -17.397 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.543 2.611 -17.294 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.337 1.584 -18.106 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.295 1.779 -16.337 1.00 0.00 H new ATOM 557 N ALA A 38 -3.788 -0.670 -17.624 1.00 0.00 N ATOM 558 CA ALA A 38 -5.049 0.065 -17.594 1.00 0.00 C ATOM 559 C ALA A 38 -5.575 0.084 -16.175 1.00 0.00 C ATOM 560 O ALA A 38 -6.534 -0.608 -15.818 1.00 0.00 O ATOM 561 CB ALA A 38 -6.024 -0.578 -18.597 1.00 0.00 C ATOM 0 H ALA A 38 -3.794 -1.512 -17.048 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.915 1.103 -17.897 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.970 -0.037 -18.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.596 -0.535 -19.599 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.197 -1.618 -18.320 1.00 0.00 H new ATOM 567 N ALA A 39 -4.955 0.907 -15.352 1.00 0.00 N ATOM 568 CA ALA A 39 -5.197 0.908 -13.912 1.00 0.00 C ATOM 569 C ALA A 39 -4.914 2.254 -13.287 1.00 0.00 C ATOM 570 O ALA A 39 -4.573 3.246 -13.942 1.00 0.00 O ATOM 571 CB ALA A 39 -4.320 -0.209 -13.312 1.00 0.00 C ATOM 0 H ALA A 39 -4.268 1.596 -15.657 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.250 0.719 -13.703 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.467 -0.247 -12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.600 -1.167 -13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.271 -0.004 -13.528 1.00 0.00 H new ATOM 577 N LYS A 40 -5.091 2.305 -11.974 1.00 0.00 N ATOM 578 CA LYS A 40 -4.737 3.477 -11.182 1.00 0.00 C ATOM 579 C LYS A 40 -4.831 3.192 -9.703 1.00 0.00 C ATOM 580 O LYS A 40 -4.946 2.041 -9.264 1.00 0.00 O ATOM 581 CB LYS A 40 -5.688 4.645 -11.584 1.00 0.00 C ATOM 582 CG LYS A 40 -7.178 4.198 -11.585 1.00 0.00 C ATOM 583 CD LYS A 40 -7.627 3.447 -12.842 1.00 0.00 C ATOM 584 CE LYS A 40 -9.158 3.503 -12.940 1.00 0.00 C ATOM 585 NZ LYS A 40 -9.569 3.260 -14.334 1.00 0.00 N ATOM 0 H LYS A 40 -5.483 1.538 -11.428 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.702 3.752 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.558 5.476 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.417 5.011 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.351 3.561 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.807 5.080 -11.463 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.177 3.894 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.290 2.411 -12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.603 2.756 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.519 4.476 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.606 3.298 -14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.155 3.989 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.236 2.322 -14.636 1.00 0.00 H new ATOM 599 N ALA A 41 -4.805 4.242 -8.906 1.00 0.00 N ATOM 600 CA ALA A 41 -5.049 4.145 -7.466 1.00 0.00 C ATOM 601 C ALA A 41 -6.423 3.572 -7.191 1.00 0.00 C ATOM 602 O ALA A 41 -6.659 2.845 -6.222 1.00 0.00 O ATOM 603 CB ALA A 41 -4.848 5.541 -6.847 1.00 0.00 C ATOM 0 H ALA A 41 -4.615 5.190 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.342 3.457 -7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.025 5.492 -5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.828 5.877 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.549 6.243 -7.298 1.00 0.00 H new ATOM 609 N GLY A 42 -7.348 3.888 -8.083 1.00 0.00 N ATOM 610 CA GLY A 42 -8.727 3.427 -7.988 1.00 0.00 C ATOM 611 C GLY A 42 -8.815 1.939 -8.223 1.00 0.00 C ATOM 612 O GLY A 42 -8.802 1.131 -7.284 1.00 0.00 O ATOM 0 H GLY A 42 -7.164 4.474 -8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.128 3.668 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.341 3.952 -8.720 1.00 0.00 H new ATOM 616 N ARG A 43 -8.871 1.538 -9.479 1.00 0.00 N ATOM 617 CA ARG A 43 -9.119 0.140 -9.826 1.00 0.00 C ATOM 618 C ARG A 43 -8.199 -0.319 -10.932 1.00 0.00 C ATOM 619 O ARG A 43 -7.982 0.406 -11.921 1.00 0.00 O ATOM 620 CB ARG A 43 -10.610 -0.011 -10.237 1.00 0.00 C ATOM 621 CG ARG A 43 -11.631 0.404 -9.145 1.00 0.00 C ATOM 622 CD ARG A 43 -13.089 0.239 -9.594 1.00 0.00 C ATOM 623 NE ARG A 43 -13.125 0.123 -11.073 1.00 0.00 N ATOM 624 CZ ARG A 43 -13.217 1.134 -11.925 1.00 0.00 C ATOM 625 NH1 ARG A 43 -13.284 2.385 -11.575 1.00 0.00 N ATOM 626 NH2 ARG A 43 -13.242 0.853 -13.180 1.00 0.00 N ATOM 0 H ARG A 43 -8.749 2.156 -10.281 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.914 -0.492 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.789 0.589 -11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.794 -1.050 -10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.462 -0.196 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.457 1.444 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.527 -0.648 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.683 1.093 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.075 -0.816 -11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.267 2.640 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.353 3.111 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.192 -0.119 -13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.312 1.602 -13.869 1.00 0.00 H new ATOM 640 N ILE A 44 -7.659 -1.519 -10.828 1.00 0.00 N ATOM 641 CA ILE A 44 -6.641 -1.977 -11.776 1.00 0.00 C ATOM 642 C ILE A 44 -7.235 -2.786 -12.908 1.00 0.00 C ATOM 643 O ILE A 44 -8.301 -3.401 -12.812 1.00 0.00 O ATOM 644 CB ILE A 44 -5.486 -2.781 -11.050 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.319 -1.897 -10.504 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.867 -3.896 -11.950 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.733 -0.713 -9.605 1.00 0.00 C ATOM 0 H ILE A 44 -7.901 -2.196 -10.104 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.201 -1.081 -12.215 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.000 -3.227 -10.199 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.639 -2.535 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.759 -1.505 -11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.081 -4.413 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.642 -4.609 -12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.445 -3.446 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.843 -0.171 -9.285 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.385 -0.042 -10.164 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.263 -1.089 -8.730 1.00 0.00 H new ATOM 659 N SER A 45 -6.537 -2.769 -14.031 1.00 0.00 N ATOM 660 CA SER A 45 -6.842 -3.604 -15.188 1.00 0.00 C ATOM 661 C SER A 45 -5.593 -3.800 -16.023 1.00 0.00 C ATOM 662 O SER A 45 -5.120 -2.897 -16.720 1.00 0.00 O ATOM 663 CB SER A 45 -8.011 -3.019 -16.019 1.00 0.00 C ATOM 664 OG SER A 45 -9.297 -3.408 -15.520 1.00 0.00 O ATOM 0 H SER A 45 -5.727 -2.165 -14.170 1.00 0.00 H new ATOM 0 HA SER A 45 -7.174 -4.581 -14.837 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.941 -1.931 -16.020 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.914 -3.346 -17.054 1.00 0.00 H new ATOM 0 HG SER A 45 -9.254 -3.507 -14.546 1.00 0.00 H new ATOM 670 N PHE A 46 -5.052 -5.001 -15.975 1.00 0.00 N ATOM 671 CA PHE A 46 -3.747 -5.317 -16.564 1.00 0.00 C ATOM 672 C PHE A 46 -3.804 -6.119 -17.847 1.00 0.00 C ATOM 673 O PHE A 46 -4.678 -6.967 -18.058 1.00 0.00 O ATOM 674 CB PHE A 46 -2.946 -6.169 -15.526 1.00 0.00 C ATOM 675 CG PHE A 46 -2.412 -5.410 -14.303 1.00 0.00 C ATOM 676 CD1 PHE A 46 -1.935 -4.102 -14.452 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.459 -5.984 -13.029 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.551 -3.364 -13.337 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.075 -5.244 -11.915 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.672 -3.918 -12.065 1.00 0.00 C ATOM 0 H PHE A 46 -5.502 -5.798 -15.525 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.284 -4.360 -16.807 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.588 -6.977 -15.176 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.103 -6.632 -16.039 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.865 -3.664 -15.437 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.794 -7.004 -12.909 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.160 -2.364 -13.457 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.089 -5.697 -10.935 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.453 -3.319 -11.193 1.00 0.00 H new ATOM 690 N TYR A 47 -2.876 -5.833 -18.741 1.00 0.00 N ATOM 691 CA TYR A 47 -2.658 -6.641 -19.937 1.00 0.00 C ATOM 692 C TYR A 47 -1.279 -6.390 -20.503 1.00 0.00 C ATOM 693 O TYR A 47 -0.756 -5.266 -20.455 1.00 0.00 O ATOM 694 CB TYR A 47 -3.706 -6.319 -21.045 1.00 0.00 C ATOM 695 CG TYR A 47 -4.056 -4.847 -21.305 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.937 -4.165 -20.462 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.500 -4.184 -22.404 1.00 0.00 C ATOM 698 CE1 TYR A 47 -5.334 -2.867 -20.772 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.896 -2.885 -22.710 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.794 -2.218 -21.879 1.00 0.00 C ATOM 701 OH TYR A 47 -5.148 -0.927 -22.151 1.00 0.00 O ATOM 0 H TYR A 47 -2.248 -5.033 -18.662 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.760 -7.684 -19.637 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.344 -6.746 -21.980 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.629 -6.841 -20.793 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.310 -4.645 -19.569 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.762 -4.681 -23.016 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.062 -2.363 -20.153 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.508 -2.395 -23.590 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.681 -0.623 -22.957 1.00 0.00 H new ATOM 711 N LYS A 48 -0.640 -7.422 -21.026 1.00 0.00 N ATOM 712 CA LYS A 48 0.632 -7.255 -21.730 1.00 0.00 C ATOM 713 C LYS A 48 0.425 -6.465 -23.005 1.00 0.00 C ATOM 714 O LYS A 48 0.860 -5.322 -23.171 1.00 0.00 O ATOM 715 CB LYS A 48 1.261 -8.647 -22.013 1.00 0.00 C ATOM 716 CG LYS A 48 2.513 -8.939 -21.145 1.00 0.00 C ATOM 717 CD LYS A 48 2.944 -10.406 -21.090 1.00 0.00 C ATOM 718 CE LYS A 48 3.666 -10.779 -22.391 1.00 0.00 C ATOM 719 NZ LYS A 48 4.652 -9.737 -22.726 1.00 0.00 N ATOM 0 H LYS A 48 -0.975 -8.384 -20.980 1.00 0.00 H new ATOM 0 HA LYS A 48 1.325 -6.692 -21.104 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.514 -9.420 -21.833 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.535 -8.708 -23.066 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.345 -8.347 -21.527 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.318 -8.597 -20.129 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.602 -10.570 -20.237 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.073 -11.046 -20.949 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.164 -11.742 -22.279 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.945 -10.885 -23.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.422 -10.155 -23.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.190 -8.986 -23.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.041 -9.333 -21.850 1.00 0.00 H new ATOM 733 N ASP A 49 -0.245 -7.102 -23.950 1.00 0.00 N ATOM 734 CA ASP A 49 -0.683 -6.469 -25.188 1.00 0.00 C ATOM 735 C ASP A 49 -2.068 -6.947 -25.559 1.00 0.00 C ATOM 736 O ASP A 49 -2.923 -7.166 -24.677 1.00 0.00 O ATOM 737 CB ASP A 49 0.343 -6.718 -26.326 1.00 0.00 C ATOM 738 CG ASP A 49 1.785 -7.051 -25.926 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.900 -8.262 -25.302 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.730 -6.312 -26.165 1.00 0.00 O ATOM 0 H ASP A 49 -0.505 -8.086 -23.881 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.736 -5.391 -25.035 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.031 -7.536 -26.942 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.367 -5.829 -26.956 1.00 0.00 H new ATOM 745 N GLN A 50 -2.354 -7.101 -26.837 1.00 0.00 N ATOM 746 CA GLN A 50 -3.605 -7.711 -27.279 1.00 0.00 C ATOM 747 C GLN A 50 -3.450 -9.208 -27.411 1.00 0.00 C ATOM 748 O GLN A 50 -3.677 -9.789 -28.477 1.00 0.00 O ATOM 749 CB GLN A 50 -4.011 -7.076 -28.628 1.00 0.00 C ATOM 750 CG GLN A 50 -2.840 -6.720 -29.606 1.00 0.00 C ATOM 751 CD GLN A 50 -2.472 -7.712 -30.717 1.00 0.00 C ATOM 752 OE1 GLN A 50 -3.158 -7.818 -31.721 1.00 0.00 O ATOM 753 NE2 GLN A 50 -1.404 -8.459 -30.599 1.00 0.00 N ATOM 0 H GLN A 50 -1.737 -6.812 -27.596 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.386 -7.529 -26.541 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.688 -7.761 -29.139 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.574 -6.166 -28.422 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.085 -5.770 -30.081 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.947 -6.554 -29.004 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.819 -8.384 -29.767 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.157 -9.116 -31.339 1.00 0.00 H new ATOM 762 N LYS A 51 -3.095 -9.873 -26.322 1.00 0.00 N ATOM 763 CA LYS A 51 -2.735 -11.292 -26.340 1.00 0.00 C ATOM 764 C LYS A 51 -3.809 -12.155 -25.722 1.00 0.00 C ATOM 765 O LYS A 51 -4.420 -13.014 -26.395 1.00 0.00 O ATOM 766 CB LYS A 51 -1.379 -11.493 -25.606 1.00 0.00 C ATOM 767 CG LYS A 51 -1.163 -10.740 -24.275 1.00 0.00 C ATOM 768 CD LYS A 51 -1.338 -11.557 -22.986 1.00 0.00 C ATOM 769 CE LYS A 51 -0.610 -12.897 -23.147 1.00 0.00 C ATOM 770 NZ LYS A 51 -1.582 -13.939 -23.525 1.00 0.00 N ATOM 0 H LYS A 51 -3.047 -9.447 -25.396 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.636 -11.604 -27.380 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.258 -12.559 -25.412 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.582 -11.201 -26.289 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.156 -10.322 -24.279 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.857 -9.900 -24.243 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.935 -11.009 -22.134 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.396 -11.724 -22.786 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.165 -12.813 -23.909 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.113 -13.168 -22.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.339 -14.830 -23.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.537 -13.642 -23.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.556 -14.080 -24.555 1.00 0.00 H new ATOM 784 N GLY A 52 -4.058 -11.995 -24.439 1.00 0.00 N ATOM 785 CA GLY A 52 -5.212 -12.686 -23.811 1.00 0.00 C ATOM 786 C GLY A 52 -6.455 -12.072 -24.469 1.00 0.00 C ATOM 787 O GLY A 52 -7.424 -12.738 -24.838 1.00 0.00 O ATOM 0 H GLY A 52 -3.506 -11.414 -23.808 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.167 -13.762 -23.981 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.222 -12.534 -22.732 1.00 0.00 H new ATOM 791 N TYR A 53 -6.361 -10.757 -24.627 1.00 0.00 N ATOM 792 CA TYR A 53 -7.352 -10.003 -25.386 1.00 0.00 C ATOM 793 C TYR A 53 -7.566 -10.649 -26.741 1.00 0.00 C ATOM 794 O TYR A 53 -8.710 -10.768 -27.209 1.00 0.00 O ATOM 795 CB TYR A 53 -6.890 -8.531 -25.596 1.00 0.00 C ATOM 796 CG TYR A 53 -7.205 -7.500 -24.501 1.00 0.00 C ATOM 797 CD1 TYR A 53 -7.805 -7.912 -23.307 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.904 -6.149 -24.694 1.00 0.00 C ATOM 799 CE1 TYR A 53 -8.080 -6.983 -22.307 1.00 0.00 C ATOM 800 CE2 TYR A 53 -7.183 -5.222 -23.692 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.784 -5.637 -22.507 1.00 0.00 C ATOM 802 OH TYR A 53 -8.085 -4.720 -21.540 1.00 0.00 O ATOM 0 H TYR A 53 -5.607 -10.190 -24.239 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.283 -10.006 -24.820 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.810 -8.540 -25.742 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.334 -8.174 -26.525 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.055 -8.952 -23.160 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.455 -5.823 -25.621 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.523 -7.306 -21.376 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.933 -4.181 -23.835 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.258 -4.313 -21.207 1.00 0.00 H new ATOM 812 N LYS A 54 -6.499 -11.050 -27.406 1.00 0.00 N ATOM 813 CA LYS A 54 -6.586 -11.840 -28.637 1.00 0.00 C ATOM 814 C LYS A 54 -7.622 -12.931 -28.505 1.00 0.00 C ATOM 815 O LYS A 54 -8.596 -13.003 -29.263 1.00 0.00 O ATOM 816 CB LYS A 54 -5.198 -12.448 -28.980 1.00 0.00 C ATOM 817 CG LYS A 54 -4.924 -12.585 -30.499 1.00 0.00 C ATOM 818 CD LYS A 54 -3.952 -13.710 -30.873 1.00 0.00 C ATOM 819 CE LYS A 54 -3.015 -13.226 -31.988 1.00 0.00 C ATOM 820 NZ LYS A 54 -3.015 -14.209 -33.087 1.00 0.00 N ATOM 0 H LYS A 54 -5.544 -10.841 -27.115 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.892 -11.180 -29.449 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.421 -11.825 -28.537 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.120 -13.432 -28.518 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.871 -12.755 -31.012 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.526 -11.640 -30.870 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.372 -14.009 -30.000 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.506 -14.589 -31.204 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.341 -12.253 -32.355 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.005 -13.098 -31.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.381 -13.883 -33.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.685 -15.128 -32.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.979 -14.310 -33.463 1.00 0.00 H new ATOM 834 N SER A 55 -7.435 -13.790 -27.518 1.00 0.00 N ATOM 835 CA SER A 55 -8.412 -14.831 -27.205 1.00 0.00 C ATOM 836 C SER A 55 -9.634 -14.247 -26.537 1.00 0.00 C ATOM 837 O SER A 55 -10.629 -13.902 -27.189 1.00 0.00 O ATOM 838 CB SER A 55 -7.773 -15.950 -26.343 1.00 0.00 C ATOM 839 OG SER A 55 -6.707 -15.477 -25.513 1.00 0.00 O ATOM 0 H SER A 55 -6.613 -13.791 -26.914 1.00 0.00 H new ATOM 0 HA SER A 55 -8.737 -15.282 -28.143 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.542 -16.401 -25.716 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.395 -16.735 -26.998 1.00 0.00 H new ATOM 0 HG SER A 55 -6.915 -14.573 -25.196 1.00 0.00 H new ATOM 845 N ASN A 56 -9.588 -14.127 -25.223 1.00 0.00 N ATOM 846 CA ASN A 56 -10.754 -13.710 -24.446 1.00 0.00 C ATOM 847 C ASN A 56 -10.590 -12.298 -23.936 1.00 0.00 C ATOM 848 O ASN A 56 -9.527 -11.902 -23.461 1.00 0.00 O ATOM 849 CB ASN A 56 -10.971 -14.698 -23.263 1.00 0.00 C ATOM 850 CG ASN A 56 -11.634 -16.041 -23.591 1.00 0.00 C ATOM 851 OD1 ASN A 56 -11.714 -16.414 -24.840 1.00 0.00 O flip ATOM 852 ND2 ASN A 56 -12.090 -16.772 -22.724 1.00 0.00 N flip ATOM 0 H ASN A 56 -8.755 -14.312 -24.664 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.631 -13.727 -25.093 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.001 -14.901 -22.809 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.577 -14.196 -22.509 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.036 -16.496 -21.744 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.525 -17.658 -22.981 1.00 0.00 H new ATOM 859 N PRO A 57 -11.649 -11.513 -24.015 1.00 0.00 N ATOM 860 CA PRO A 57 -11.695 -10.023 -23.672 1.00 0.00 C ATOM 861 C PRO A 57 -11.542 -9.679 -22.206 1.00 0.00 C ATOM 862 O PRO A 57 -11.443 -8.485 -21.850 1.00 0.00 O ATOM 863 CB PRO A 57 -13.058 -9.527 -24.135 1.00 0.00 C ATOM 864 CG PRO A 57 -13.926 -10.784 -23.964 1.00 0.00 C ATOM 865 CD PRO A 57 -13.008 -11.913 -24.452 1.00 0.00 C ATOM 0 HA PRO A 57 -10.843 -9.553 -24.163 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.418 -8.696 -23.528 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.038 -9.182 -25.169 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.225 -10.929 -22.926 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.841 -10.725 -24.554 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.296 -12.871 -24.020 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.059 -12.023 -25.535 1.00 0.00 H new ATOM 873 N GLU A 58 -11.491 -10.654 -21.319 1.00 0.00 N ATOM 874 CA GLU A 58 -11.296 -10.405 -19.893 1.00 0.00 C ATOM 875 C GLU A 58 -10.023 -11.049 -19.394 1.00 0.00 C ATOM 876 O GLU A 58 -9.352 -10.541 -18.485 1.00 0.00 O ATOM 877 CB GLU A 58 -12.538 -10.941 -19.127 1.00 0.00 C ATOM 878 CG GLU A 58 -13.180 -12.274 -19.638 1.00 0.00 C ATOM 879 CD GLU A 58 -14.583 -12.220 -20.245 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.856 -11.561 -21.239 1.00 0.00 O ATOM 881 OE2 GLU A 58 -15.499 -12.972 -19.573 1.00 0.00 O ATOM 0 H GLU A 58 -11.583 -11.641 -21.560 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.193 -9.334 -19.719 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.255 -11.082 -18.084 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.306 -10.168 -19.148 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.511 -12.699 -20.386 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.207 -12.972 -18.801 1.00 0.00 H new ATOM 888 N LEU A 59 -9.673 -12.188 -19.960 1.00 0.00 N ATOM 889 CA LEU A 59 -8.439 -12.886 -19.603 1.00 0.00 C ATOM 890 C LEU A 59 -7.318 -12.518 -20.545 1.00 0.00 C ATOM 891 O LEU A 59 -7.324 -12.892 -21.730 1.00 0.00 O ATOM 892 CB LEU A 59 -8.668 -14.424 -19.588 1.00 0.00 C ATOM 893 CG LEU A 59 -10.029 -14.959 -19.069 1.00 0.00 C ATOM 894 CD1 LEU A 59 -9.976 -16.448 -18.687 1.00 0.00 C ATOM 895 CD2 LEU A 59 -10.497 -14.132 -17.863 1.00 0.00 C ATOM 0 H LEU A 59 -10.227 -12.658 -20.676 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.148 -12.573 -18.600 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.533 -14.790 -20.606 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.881 -14.872 -18.981 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.740 -14.860 -19.889 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.955 -16.767 -18.331 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.697 -17.038 -19.560 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.238 -16.595 -17.899 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.453 -14.516 -17.507 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.758 -14.202 -17.065 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.613 -13.090 -18.160 1.00 0.00 H new ATOM 907 N THR A 60 -6.321 -11.796 -20.052 1.00 0.00 N ATOM 908 CA THR A 60 -5.265 -11.274 -20.923 1.00 0.00 C ATOM 909 C THR A 60 -4.017 -12.125 -20.838 1.00 0.00 C ATOM 910 O THR A 60 -4.006 -13.258 -21.381 1.00 0.00 O ATOM 911 CB THR A 60 -4.955 -9.766 -20.604 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.899 -9.522 -19.206 1.00 0.00 O ATOM 913 CG2 THR A 60 -5.996 -8.751 -21.125 1.00 0.00 C ATOM 0 H THR A 60 -6.217 -11.558 -19.066 1.00 0.00 H new ATOM 0 HA THR A 60 -5.627 -11.323 -21.950 1.00 0.00 H new ATOM 0 HB THR A 60 -4.003 -9.617 -21.113 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.837 -8.557 -19.045 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.688 -7.742 -20.852 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.068 -8.828 -22.210 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.968 -8.966 -20.681 1.00 0.00 H new ATOM 921 N PHE A 61 -2.961 -11.693 -20.178 1.00 0.00 N ATOM 922 CA PHE A 61 -1.676 -12.402 -20.221 1.00 0.00 C ATOM 923 C PHE A 61 -1.399 -13.216 -18.982 1.00 0.00 C ATOM 924 O PHE A 61 -0.250 -13.659 -18.762 1.00 0.00 O ATOM 925 CB PHE A 61 -0.522 -11.355 -20.361 1.00 0.00 C ATOM 926 CG PHE A 61 0.116 -10.865 -19.052 1.00 0.00 C ATOM 927 CD1 PHE A 61 -0.488 -9.853 -18.300 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.333 -11.407 -18.626 1.00 0.00 C ATOM 929 CE1 PHE A 61 0.099 -9.422 -17.113 1.00 0.00 C ATOM 930 CE2 PHE A 61 1.886 -11.019 -17.410 1.00 0.00 C ATOM 931 CZ PHE A 61 1.277 -10.015 -16.662 1.00 0.00 C ATOM 0 H PHE A 61 -2.957 -10.852 -19.601 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.727 -13.084 -21.069 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.261 -11.790 -20.981 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.909 -10.489 -20.898 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.410 -9.405 -18.640 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.845 -12.130 -19.244 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.359 -8.628 -16.542 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.785 -11.495 -17.047 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.719 -9.695 -15.730 1.00 0.00 H new ATOM 941 N ARG A 62 -2.396 -13.481 -18.166 1.00 0.00 N ATOM 942 CA ARG A 62 -2.166 -14.074 -16.841 1.00 0.00 C ATOM 943 C ARG A 62 -1.245 -13.157 -16.066 1.00 0.00 C ATOM 944 O ARG A 62 -0.010 -13.111 -16.188 1.00 0.00 O ATOM 945 CB ARG A 62 -1.607 -15.516 -16.966 1.00 0.00 C ATOM 946 CG ARG A 62 -2.533 -16.632 -16.411 1.00 0.00 C ATOM 947 CD ARG A 62 -1.771 -17.929 -16.108 1.00 0.00 C ATOM 948 NE ARG A 62 -1.384 -18.557 -17.397 1.00 0.00 N ATOM 949 CZ ARG A 62 -1.113 -19.844 -17.577 1.00 0.00 C ATOM 950 NH1 ARG A 62 -1.171 -20.743 -16.640 1.00 0.00 N ATOM 951 NH2 ARG A 62 -0.772 -20.220 -18.758 1.00 0.00 N ATOM 0 H ARG A 62 -3.376 -13.300 -18.384 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.106 -14.167 -16.297 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.406 -15.721 -18.018 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.652 -15.565 -16.444 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.018 -16.278 -15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.322 -16.838 -17.134 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.886 -17.718 -15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.395 -18.609 -15.527 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.321 -17.948 -18.213 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.439 -20.476 -15.693 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.949 -21.716 -16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.718 -19.538 -19.515 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.555 -21.200 -18.938 1.00 0.00 H new ATOM 965 N GLY A 63 -1.838 -12.344 -15.226 1.00 0.00 N ATOM 966 CA GLY A 63 -1.364 -11.122 -14.594 1.00 0.00 C ATOM 967 C GLY A 63 -2.499 -10.058 -14.877 1.00 0.00 C ATOM 968 O GLY A 63 -2.717 -9.050 -14.206 1.00 0.00 O ATOM 0 H GLY A 63 -2.792 -12.546 -14.926 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.211 -11.263 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.409 -10.804 -15.013 1.00 0.00 H new ATOM 972 N GLU A 64 -3.257 -10.352 -15.919 1.00 0.00 N ATOM 973 CA GLU A 64 -4.515 -9.774 -16.359 1.00 0.00 C ATOM 974 C GLU A 64 -5.327 -9.085 -15.282 1.00 0.00 C ATOM 975 O GLU A 64 -5.876 -7.988 -15.506 1.00 0.00 O ATOM 976 CB GLU A 64 -5.343 -10.955 -16.989 1.00 0.00 C ATOM 977 CG GLU A 64 -5.711 -12.192 -16.099 1.00 0.00 C ATOM 978 CD GLU A 64 -6.031 -13.518 -16.793 1.00 0.00 C ATOM 979 OE1 GLU A 64 -5.195 -14.173 -17.401 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.333 -13.902 -16.666 1.00 0.00 O ATOM 0 H GLU A 64 -2.968 -11.095 -16.556 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.289 -8.976 -17.066 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.275 -10.536 -17.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.785 -11.324 -17.849 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.881 -12.367 -15.415 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.573 -11.919 -15.491 1.00 0.00 H new ATOM 987 N PRO A 65 -5.477 -9.658 -14.113 1.00 0.00 N ATOM 988 CA PRO A 65 -6.139 -9.155 -12.816 1.00 0.00 C ATOM 989 C PRO A 65 -6.379 -7.664 -12.650 1.00 0.00 C ATOM 990 O PRO A 65 -5.765 -6.774 -13.246 1.00 0.00 O ATOM 991 CB PRO A 65 -5.185 -9.595 -11.718 1.00 0.00 C ATOM 992 CG PRO A 65 -4.479 -10.838 -12.308 1.00 0.00 C ATOM 993 CD PRO A 65 -5.016 -11.030 -13.729 1.00 0.00 C ATOM 0 HA PRO A 65 -7.149 -9.565 -12.805 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.470 -8.810 -11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.719 -9.838 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.398 -10.697 -12.321 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.678 -11.720 -11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.244 -11.398 -14.404 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.833 -11.751 -13.756 1.00 0.00 H new ATOM 1001 N SER A 66 -7.313 -7.346 -11.748 1.00 0.00 N ATOM 1002 CA SER A 66 -7.817 -5.997 -11.520 1.00 0.00 C ATOM 1003 C SER A 66 -7.732 -5.625 -10.059 1.00 0.00 C ATOM 1004 O SER A 66 -7.155 -6.358 -9.239 1.00 0.00 O ATOM 1005 CB SER A 66 -9.264 -5.859 -12.060 1.00 0.00 C ATOM 1006 OG SER A 66 -9.327 -5.872 -13.490 1.00 0.00 O ATOM 0 H SER A 66 -7.748 -8.042 -11.142 1.00 0.00 H new ATOM 0 HA SER A 66 -7.187 -5.297 -12.069 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.873 -6.673 -11.667 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.698 -4.930 -11.690 1.00 0.00 H new ATOM 0 HG SER A 66 -10.260 -5.784 -13.777 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.316 -4.502 -9.683 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.413 -4.121 -8.272 1.00 0.00 C ATOM 1014 C TYR A 67 -9.513 -3.110 -8.036 1.00 0.00 C ATOM 1015 O TYR A 67 -10.026 -2.449 -8.945 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.075 -3.494 -7.784 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.944 -4.478 -7.461 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -6.125 -5.420 -6.440 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -4.733 -4.446 -8.159 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -5.088 -6.281 -6.089 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -3.709 -5.328 -7.826 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.884 -6.240 -6.789 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.873 -7.097 -6.457 1.00 0.00 O ATOM 0 H TYR A 67 -8.733 -3.833 -10.330 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.636 -5.032 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.721 -2.804 -8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.279 -2.902 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.072 -5.479 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.592 -3.735 -8.959 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.217 -6.979 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.778 -5.305 -8.373 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.104 -6.938 -7.043 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.916 -2.998 -6.783 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.849 -1.975 -6.316 1.00 0.00 C ATOM 1035 C ASP A 68 -10.304 -1.320 -5.068 1.00 0.00 C ATOM 1036 O ASP A 68 -10.104 -1.997 -4.039 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.260 -2.579 -6.097 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.380 -1.595 -5.728 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.207 -0.388 -5.639 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.576 -2.217 -5.494 1.00 0.00 O ATOM 0 H ASP A 68 -9.601 -3.625 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.954 -1.203 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.552 -3.101 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.191 -3.328 -5.308 1.00 0.00 H new ATOM 1045 N LEU A 69 -10.076 -0.020 -5.086 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.374 0.644 -3.988 1.00 0.00 C ATOM 1047 C LEU A 69 -9.544 2.142 -4.001 1.00 0.00 C ATOM 1048 O LEU A 69 -8.618 2.883 -4.413 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.858 0.274 -4.032 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.343 -0.935 -3.211 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.154 -1.098 -1.917 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -7.347 -2.253 -4.004 1.00 0.00 C ATOM 0 H LEU A 69 -10.363 0.601 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.820 0.287 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.595 0.096 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.298 1.151 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.304 -0.715 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.776 -1.952 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.059 -0.196 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.203 -1.261 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.975 -3.059 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.364 -2.482 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.705 -2.153 -4.879 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.697 2.662 -3.637 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.893 4.081 -3.359 1.00 0.00 C ATOM 1066 C GLN A 70 -10.605 4.316 -1.887 1.00 0.00 C ATOM 1067 O GLN A 70 -11.355 4.821 -1.053 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.315 4.458 -3.838 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.361 4.108 -5.421 1.00 0.00 C ATOM 1070 CD GLN A 70 -13.610 4.287 -6.258 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -13.552 4.647 -7.432 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.798 4.088 -5.738 1.00 0.00 N ATOM 0 H GLN A 70 -11.544 2.105 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.211 4.739 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.072 3.896 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.517 5.515 -3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.580 4.703 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.068 3.063 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.886 3.789 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.634 4.232 -6.305 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.386 3.869 -1.549 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.903 3.763 -0.182 1.00 0.00 C ATOM 1083 C ASN A 71 -7.441 4.126 -0.073 1.00 0.00 C ATOM 1084 O ASN A 71 -7.029 4.930 0.768 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.138 2.296 0.297 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.590 1.889 0.573 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -11.067 1.842 1.696 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.355 1.600 -0.448 1.00 0.00 N ATOM 0 H ASN A 71 -8.700 3.567 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.448 4.466 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.733 1.622 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.561 2.138 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.330 1.342 -0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.976 1.633 -1.395 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.638 3.501 -0.917 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.185 3.625 -0.857 1.00 0.00 C ATOM 1097 C ALA A 72 -4.741 5.071 -0.809 1.00 0.00 C ATOM 1098 O ALA A 72 -5.479 6.016 -1.106 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.606 2.877 -2.071 1.00 0.00 C ATOM 0 H ALA A 72 -6.971 2.892 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.809 3.181 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.518 2.949 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.901 1.828 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.988 3.323 -2.989 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.480 5.258 -0.443 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.855 6.576 -0.388 1.00 0.00 C ATOM 1107 C ALA A 73 -1.901 6.775 -1.542 1.00 0.00 C ATOM 1108 O ALA A 73 -1.801 5.943 -2.453 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.168 6.708 0.983 1.00 0.00 C ATOM 0 H ALA A 73 -2.857 4.496 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.602 7.364 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.689 7.684 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.911 6.607 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.416 5.926 1.090 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.162 7.869 -1.517 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.227 8.192 -2.594 1.00 0.00 C ATOM 1117 C ILE A 74 1.077 8.727 -2.050 1.00 0.00 C ATOM 1118 O ILE A 74 1.135 9.384 -1.005 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.877 9.182 -3.645 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.497 8.482 -4.896 1.00 0.00 C ATOM 1121 CG2 ILE A 74 0.119 10.276 -4.142 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -1.610 9.345 -6.170 1.00 0.00 C ATOM 0 H ILE A 74 -1.187 8.555 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 74 0.001 7.266 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.686 9.644 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.897 7.602 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.493 8.127 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.382 10.925 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.461 10.869 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.975 9.799 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.054 8.754 -6.971 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.238 10.212 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.617 9.679 -6.472 1.00 0.00 H new ATOM 1134 N GLU A 75 2.156 8.435 -2.755 1.00 0.00 N ATOM 1135 CA GLU A 75 3.474 8.977 -2.438 1.00 0.00 C ATOM 1136 C GLU A 75 4.350 9.017 -3.669 1.00 0.00 C ATOM 1137 O GLU A 75 3.987 8.520 -4.742 1.00 0.00 O ATOM 1138 CB GLU A 75 4.111 8.104 -1.321 1.00 0.00 C ATOM 1139 CG GLU A 75 5.083 8.814 -0.322 1.00 0.00 C ATOM 1140 CD GLU A 75 4.545 9.978 0.514 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.816 10.846 0.053 1.00 0.00 O ATOM 1142 OE2 GLU A 75 4.951 9.955 1.813 1.00 0.00 O ATOM 0 H GLU A 75 2.147 7.815 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 75 3.376 10.003 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.304 7.653 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.655 7.289 -1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.462 8.058 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.936 9.182 -0.893 1.00 0.00 H new ATOM 1149 N ILE A 76 5.529 9.592 -3.528 1.00 0.00 N ATOM 1150 CA ILE A 76 6.515 9.619 -4.606 1.00 0.00 C ATOM 1151 C ILE A 76 7.800 8.949 -4.182 1.00 0.00 C ATOM 1152 O ILE A 76 8.659 9.544 -3.521 1.00 0.00 O ATOM 1153 CB ILE A 76 6.766 11.095 -5.122 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.493 11.999 -5.158 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.427 11.135 -6.535 1.00 0.00 C ATOM 1156 CD1 ILE A 76 5.268 12.898 -3.925 1.00 0.00 C ATOM 0 H ILE A 76 5.835 10.053 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 76 6.110 9.051 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 76 7.448 11.501 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.548 12.635 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.620 11.358 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.575 12.171 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.390 10.625 -6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.778 10.636 -7.255 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.356 13.480 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.173 12.277 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.115 13.573 -3.808 1.00 0.00 H new ATOM 1168 N ALA A 77 7.959 7.699 -4.573 1.00 0.00 N ATOM 1169 CA ALA A 77 9.209 6.975 -4.356 1.00 0.00 C ATOM 1170 C ALA A 77 9.594 6.984 -2.894 1.00 0.00 C ATOM 1171 O ALA A 77 8.778 7.258 -2.008 1.00 0.00 O ATOM 1172 CB ALA A 77 10.276 7.614 -5.264 1.00 0.00 C ATOM 0 H ALA A 77 7.237 7.156 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 77 9.104 5.922 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.226 7.097 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.964 7.532 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.394 8.665 -5.002 1.00 0.00 H new ATOM 1236 N LYS A 82 17.823 5.954 -9.186 1.00 0.00 N ATOM 1237 CA LYS A 82 17.485 6.160 -10.594 1.00 0.00 C ATOM 1238 C LYS A 82 16.052 5.759 -10.884 1.00 0.00 C ATOM 1239 O LYS A 82 15.624 5.717 -12.051 1.00 0.00 O ATOM 1240 CB LYS A 82 18.510 5.382 -11.470 1.00 0.00 C ATOM 1241 CG LYS A 82 19.959 5.515 -10.911 1.00 0.00 C ATOM 1242 CD LYS A 82 21.032 4.709 -11.644 1.00 0.00 C ATOM 1243 CE LYS A 82 21.736 5.621 -12.660 1.00 0.00 C ATOM 1244 NZ LYS A 82 22.540 4.803 -13.585 1.00 0.00 N ATOM 0 HA LYS A 82 17.550 7.220 -10.838 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.230 4.329 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.477 5.760 -12.492 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.242 6.567 -10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.954 5.210 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.755 4.310 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.581 3.857 -12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.999 6.199 -13.217 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.375 6.335 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.016 5.422 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.253 4.270 -13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.919 4.138 -14.090 1.00 0.00 H new ATOM 1258 N LYS A 83 15.276 5.458 -9.867 1.00 0.00 N ATOM 1259 CA LYS A 83 13.834 5.244 -9.955 1.00 0.00 C ATOM 1260 C LYS A 83 13.074 6.464 -9.487 1.00 0.00 C ATOM 1261 O LYS A 83 11.838 6.485 -9.451 1.00 0.00 O ATOM 1262 CB LYS A 83 13.459 4.016 -9.081 1.00 0.00 C ATOM 1263 CG LYS A 83 14.158 2.703 -9.511 1.00 0.00 C ATOM 1264 CD LYS A 83 13.257 1.464 -9.498 1.00 0.00 C ATOM 1265 CE LYS A 83 13.803 0.455 -8.478 1.00 0.00 C ATOM 1266 NZ LYS A 83 13.661 -0.909 -9.017 1.00 0.00 N ATOM 0 H LYS A 83 15.637 5.350 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 83 13.563 5.062 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.715 4.229 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.379 3.871 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.559 2.833 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.006 2.526 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.236 1.745 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.222 1.014 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.851 0.667 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.262 0.544 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.272 -1.559 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.671 -1.215 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.939 -0.917 -10.019 1.00 0.00 H new ATOM 1280 N LYS A 84 13.781 7.533 -9.134 1.00 0.00 N ATOM 1281 CA LYS A 84 13.157 8.803 -8.716 1.00 0.00 C ATOM 1282 C LYS A 84 12.333 9.522 -9.777 1.00 0.00 C ATOM 1283 O LYS A 84 11.837 10.633 -9.585 1.00 0.00 O ATOM 1284 CB LYS A 84 14.279 9.759 -8.214 1.00 0.00 C ATOM 1285 CG LYS A 84 14.596 10.899 -9.223 1.00 0.00 C ATOM 1286 CD LYS A 84 14.967 12.251 -8.610 1.00 0.00 C ATOM 1287 CE LYS A 84 13.768 13.202 -8.722 1.00 0.00 C ATOM 1288 NZ LYS A 84 14.201 14.472 -9.330 1.00 0.00 N ATOM 0 H LYS A 84 14.801 7.553 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 84 12.443 8.536 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.978 10.196 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 84 15.185 9.182 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.417 10.574 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.728 11.040 -9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.250 12.125 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.830 12.673 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.984 12.746 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.343 13.386 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.388 15.116 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.935 14.909 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.587 14.289 -10.278 1.00 0.00 H new ATOM 1302 N HIS A 85 12.174 8.858 -10.901 1.00 0.00 N ATOM 1303 CA HIS A 85 11.280 9.277 -11.971 1.00 0.00 C ATOM 1304 C HIS A 85 10.027 8.423 -11.940 1.00 0.00 C ATOM 1305 O HIS A 85 9.537 7.900 -12.944 1.00 0.00 O ATOM 1306 CB HIS A 85 12.063 9.086 -13.282 1.00 0.00 C ATOM 1307 CG HIS A 85 13.361 9.839 -13.281 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.561 11.103 -13.839 1.00 0.00 N ATOM 1309 CD2 HIS A 85 14.528 9.347 -12.712 1.00 0.00 C ATOM 1310 CE1 HIS A 85 14.866 11.275 -13.557 1.00 0.00 C ATOM 1311 NE2 HIS A 85 15.515 10.283 -12.890 1.00 0.00 N ATOM 0 H HIS A 85 12.672 7.992 -11.106 1.00 0.00 H new ATOM 0 HA HIS A 85 10.964 10.315 -11.868 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.260 8.025 -13.434 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.452 9.420 -14.120 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.639 8.394 -12.216 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.383 12.176 -13.852 1.00 0.00 H new ATOM 0 HE2 HIS A 85 16.491 10.245 -12.596 1.00 0.00 H new ATOM 1319 N VAL A 86 9.505 8.253 -10.732 1.00 0.00 N ATOM 1320 CA VAL A 86 8.401 7.334 -10.468 1.00 0.00 C ATOM 1321 C VAL A 86 7.360 7.932 -9.546 1.00 0.00 C ATOM 1322 O VAL A 86 7.538 8.985 -8.923 1.00 0.00 O ATOM 1323 CB VAL A 86 8.980 6.000 -9.844 1.00 0.00 C ATOM 1324 CG1 VAL A 86 9.357 6.058 -8.338 1.00 0.00 C ATOM 1325 CG2 VAL A 86 8.045 4.775 -9.984 1.00 0.00 C ATOM 0 H VAL A 86 9.835 8.749 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 86 7.902 7.125 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 86 9.883 5.890 -10.445 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.742 5.088 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.121 6.820 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.473 6.307 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.517 3.903 -9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.100 4.979 -9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.858 4.579 -11.040 1.00 0.00 H new ATOM 1335 N LEU A 87 6.241 7.236 -9.428 1.00 0.00 N ATOM 1336 CA LEU A 87 5.181 7.563 -8.479 1.00 0.00 C ATOM 1337 C LEU A 87 4.729 6.331 -7.726 1.00 0.00 C ATOM 1338 O LEU A 87 5.231 5.218 -7.950 1.00 0.00 O ATOM 1339 CB LEU A 87 3.990 8.250 -9.210 1.00 0.00 C ATOM 1340 CG LEU A 87 3.920 8.086 -10.757 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.491 8.203 -11.308 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.826 9.122 -11.437 1.00 0.00 C ATOM 0 H LEU A 87 6.037 6.414 -9.997 1.00 0.00 H new ATOM 0 HA LEU A 87 5.578 8.266 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.064 7.863 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.023 9.316 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 87 4.268 7.078 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.507 8.080 -12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.865 7.428 -10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.085 9.184 -11.060 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.771 9.000 -12.519 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.497 10.126 -11.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.855 8.977 -11.108 1.00 0.00 H new ATOM 1354 N ARG A 88 3.800 6.495 -6.804 1.00 0.00 N ATOM 1355 CA ARG A 88 3.396 5.399 -5.921 1.00 0.00 C ATOM 1356 C ARG A 88 2.030 5.625 -5.315 1.00 0.00 C ATOM 1357 O ARG A 88 1.626 6.753 -5.014 1.00 0.00 O ATOM 1358 CB ARG A 88 4.470 5.249 -4.808 1.00 0.00 C ATOM 1359 CG ARG A 88 5.824 4.634 -5.245 1.00 0.00 C ATOM 1360 CD ARG A 88 6.877 4.683 -4.130 1.00 0.00 C ATOM 1361 NE ARG A 88 6.391 3.876 -2.982 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.155 3.179 -2.152 1.00 0.00 C ATOM 1363 NH1 ARG A 88 8.451 3.101 -2.235 1.00 0.00 N ATOM 1364 NH2 ARG A 88 6.569 2.538 -1.202 1.00 0.00 N ATOM 0 H ARG A 88 3.307 7.373 -6.641 1.00 0.00 H new ATOM 0 HA ARG A 88 3.324 4.484 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.662 6.234 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.054 4.632 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.668 3.599 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.198 5.169 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.828 4.292 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.052 5.713 -3.821 1.00 0.00 H new ATOM 0 HE ARG A 88 5.384 3.856 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.945 3.597 -2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.973 2.544 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.554 2.579 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.120 1.989 -0.541 1.00 0.00 H new ATOM 1378 N VAL A 89 1.285 4.548 -5.149 1.00 0.00 N ATOM 1379 CA VAL A 89 0.019 4.571 -4.416 1.00 0.00 C ATOM 1380 C VAL A 89 -0.069 3.370 -3.499 1.00 0.00 C ATOM 1381 O VAL A 89 -0.341 2.240 -3.916 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.219 4.626 -5.396 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -0.960 4.178 -6.862 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.432 3.790 -4.921 1.00 0.00 C ATOM 0 H VAL A 89 1.535 3.630 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.009 5.478 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.425 5.696 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.883 4.260 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.197 4.816 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.618 3.143 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.241 3.878 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.139 2.744 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.771 4.158 -3.953 1.00 0.00 H new ATOM 1394 N LYS A 90 0.189 3.610 -2.225 1.00 0.00 N ATOM 1395 CA LYS A 90 0.296 2.545 -1.233 1.00 0.00 C ATOM 1396 C LYS A 90 -1.068 2.086 -0.776 1.00 0.00 C ATOM 1397 O LYS A 90 -1.881 2.861 -0.259 1.00 0.00 O ATOM 1398 CB LYS A 90 1.146 3.043 -0.031 1.00 0.00 C ATOM 1399 CG LYS A 90 1.409 1.956 1.040 1.00 0.00 C ATOM 1400 CD LYS A 90 2.687 1.140 0.832 1.00 0.00 C ATOM 1401 CE LYS A 90 2.494 -0.264 1.419 1.00 0.00 C ATOM 1402 NZ LYS A 90 3.800 -0.941 1.512 1.00 0.00 N ATOM 0 H LYS A 90 0.331 4.546 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 90 0.790 1.687 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.102 3.413 -0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.638 3.886 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.457 2.435 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.559 1.274 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.921 1.073 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.530 1.635 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.036 -0.197 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.816 -0.842 0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.724 -1.899 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.510 -0.400 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.089 -1.002 2.509 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.330 0.803 -0.940 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.645 0.229 -0.680 1.00 0.00 C ATOM 1418 C LEU A 91 -2.842 -0.056 0.791 1.00 0.00 C ATOM 1419 O LEU A 91 -1.924 0.058 1.611 1.00 0.00 O ATOM 1420 CB LEU A 91 -2.848 -1.069 -1.514 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.242 -0.928 -3.010 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -3.930 -2.188 -3.564 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.156 0.289 -3.210 1.00 0.00 C ATOM 0 H LEU A 91 -0.638 0.124 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.392 0.963 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.923 -1.643 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.618 -1.664 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.314 -0.791 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.183 -2.033 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.255 -3.040 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.840 -2.385 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.423 0.374 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.061 0.166 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.634 1.192 -2.894 1.00 0.00 H new ATOM 1435 N ALA A 92 -4.053 -0.451 1.139 1.00 0.00 N ATOM 1436 CA ALA A 92 -4.363 -0.913 2.489 1.00 0.00 C ATOM 1437 C ALA A 92 -4.107 -2.397 2.618 1.00 0.00 C ATOM 1438 O ALA A 92 -3.742 -2.908 3.682 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.821 -0.527 2.794 1.00 0.00 C ATOM 0 H ALA A 92 -4.849 -0.463 0.501 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.714 -0.437 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.083 -0.860 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.932 0.555 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.482 -1.003 2.070 1.00 0.00 H new ATOM 1445 N ASN A 93 -4.274 -3.108 1.517 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.958 -4.533 1.447 1.00 0.00 C ATOM 1447 C ASN A 93 -2.465 -4.769 1.444 1.00 0.00 C ATOM 1448 O ASN A 93 -1.981 -5.832 1.868 1.00 0.00 O ATOM 1449 CB ASN A 93 -4.615 -5.149 0.176 1.00 0.00 C ATOM 1450 CG ASN A 93 -4.020 -4.754 -1.181 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -3.133 -3.921 -1.292 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -4.484 -5.330 -2.258 1.00 0.00 N ATOM 0 H ASN A 93 -4.632 -2.719 0.645 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.361 -5.021 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.567 -6.234 0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.670 -4.876 0.175 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.106 -5.082 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.224 -6.028 -2.185 1.00 0.00 H new ATOM 1459 N GLY A 94 -1.697 -3.802 0.979 1.00 0.00 N ATOM 1460 CA GLY A 94 -0.238 -3.895 1.010 1.00 0.00 C ATOM 1461 C GLY A 94 0.359 -3.668 -0.359 1.00 0.00 C ATOM 1462 O GLY A 94 1.304 -2.889 -0.538 1.00 0.00 O ATOM 0 H GLY A 94 -2.055 -2.938 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.160 -3.159 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.058 -4.877 1.379 1.00 0.00 H new ATOM 1466 N ALA A 95 -0.166 -4.364 -1.351 1.00 0.00 N ATOM 1467 CA ALA A 95 0.359 -4.289 -2.713 1.00 0.00 C ATOM 1468 C ALA A 95 0.210 -2.896 -3.279 1.00 0.00 C ATOM 1469 O ALA A 95 -0.855 -2.501 -3.766 1.00 0.00 O ATOM 1470 CB ALA A 95 -0.369 -5.352 -3.553 1.00 0.00 C ATOM 0 H ALA A 95 -0.961 -4.993 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 95 1.429 -4.495 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.001 -5.322 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.185 -6.339 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.440 -5.149 -3.548 1.00 0.00 H new ATOM 1476 N LEU A 96 1.289 -2.138 -3.244 1.00 0.00 N ATOM 1477 CA LEU A 96 1.317 -0.775 -3.767 1.00 0.00 C ATOM 1478 C LEU A 96 1.576 -0.774 -5.256 1.00 0.00 C ATOM 1479 O LEU A 96 2.249 -1.667 -5.794 1.00 0.00 O ATOM 1480 CB LEU A 96 2.381 0.075 -3.015 1.00 0.00 C ATOM 1481 CG LEU A 96 3.844 -0.445 -2.972 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.871 0.689 -2.810 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.014 -1.458 -1.832 1.00 0.00 C ATOM 0 H LEU A 96 2.178 -2.447 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 96 0.339 -0.323 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.394 1.067 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.042 0.198 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 96 4.035 -0.926 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.876 0.269 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.786 1.379 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.679 1.224 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.044 -1.815 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.778 -0.979 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.341 -2.301 -1.991 1.00 0.00 H new ATOM 1495 N PHE A 97 1.047 0.211 -5.960 1.00 0.00 N ATOM 1496 CA PHE A 97 1.292 0.349 -7.394 1.00 0.00 C ATOM 1497 C PHE A 97 2.199 1.522 -7.677 1.00 0.00 C ATOM 1498 O PHE A 97 1.750 2.679 -7.757 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.054 0.564 -8.156 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.273 -0.194 -7.608 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.259 -1.587 -7.500 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.436 0.510 -7.272 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.365 -2.259 -6.988 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.564 -0.170 -6.825 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.527 -1.554 -6.680 1.00 0.00 C ATOM 0 H PHE A 97 0.443 0.932 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 97 1.771 -0.568 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.283 1.630 -8.152 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.091 0.273 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.388 -2.143 -7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.457 1.586 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.323 -3.326 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.467 0.375 -6.591 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.401 -2.082 -6.328 1.00 0.00 H new ATOM 1515 N LEU A 98 3.490 1.278 -7.810 1.00 0.00 N ATOM 1516 CA LEU A 98 4.431 2.317 -8.229 1.00 0.00 C ATOM 1517 C LEU A 98 4.433 2.455 -9.732 1.00 0.00 C ATOM 1518 O LEU A 98 4.066 1.495 -10.448 1.00 0.00 O ATOM 1519 CB LEU A 98 5.860 2.026 -7.691 1.00 0.00 C ATOM 1520 CG LEU A 98 6.004 1.548 -6.220 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.269 2.093 -5.538 1.00 0.00 C ATOM 1522 CD2 LEU A 98 4.764 1.953 -5.411 1.00 0.00 C ATOM 0 H LEU A 98 3.918 0.369 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 98 4.105 3.265 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.311 1.269 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.451 2.935 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 98 6.095 0.462 -6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.316 1.726 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.150 1.758 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.239 3.183 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.875 1.613 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.658 3.038 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.878 1.496 -5.851 1.00 0.00 H new ATOM 1534 N LEU A 99 4.813 3.603 -10.270 1.00 0.00 N ATOM 1535 CA LEU A 99 4.677 3.848 -11.706 1.00 0.00 C ATOM 1536 C LEU A 99 5.915 4.480 -12.300 1.00 0.00 C ATOM 1537 O LEU A 99 6.259 5.629 -11.943 1.00 0.00 O ATOM 1538 CB LEU A 99 3.436 4.748 -11.980 1.00 0.00 C ATOM 1539 CG LEU A 99 2.341 4.853 -10.883 1.00 0.00 C ATOM 1540 CD1 LEU A 99 1.123 5.673 -11.343 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.882 3.464 -10.428 1.00 0.00 C ATOM 0 H LEU A 99 5.216 4.378 -9.743 1.00 0.00 H new ATOM 0 HA LEU A 99 4.543 2.880 -12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.796 5.756 -12.187 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.959 4.387 -12.891 1.00 0.00 H new ATOM 0 HG LEU A 99 2.799 5.376 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.388 5.715 -10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.440 6.684 -11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.676 5.201 -12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.116 3.568 -9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.472 2.919 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.731 2.915 -10.021 1.00 0.00 H new ATOM 1553 N GLN A 100 6.604 3.821 -13.210 1.00 0.00 N ATOM 1554 CA GLN A 100 7.704 4.442 -13.948 1.00 0.00 C ATOM 1555 C GLN A 100 7.304 4.652 -15.392 1.00 0.00 C ATOM 1556 O GLN A 100 7.413 3.761 -16.240 1.00 0.00 O ATOM 1557 CB GLN A 100 8.969 3.562 -13.834 1.00 0.00 C ATOM 1558 CG GLN A 100 10.315 4.258 -14.242 1.00 0.00 C ATOM 1559 CD GLN A 100 11.649 3.676 -13.763 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.378 4.327 -12.891 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 12.066 2.613 -14.200 1.00 0.00 N flip ATOM 0 H GLN A 100 6.426 2.849 -13.463 1.00 0.00 H new ATOM 0 HA GLN A 100 7.930 5.418 -13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.057 3.215 -12.805 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.833 2.679 -14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.347 4.291 -15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.266 5.290 -13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.514 2.090 -14.880 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.965 2.250 -13.885 1.00 0.00 H new ATOM 1570 N ALA A 101 6.810 5.843 -15.683 1.00 0.00 N ATOM 1571 CA ALA A 101 6.227 6.156 -16.986 1.00 0.00 C ATOM 1572 C ALA A 101 7.281 6.465 -18.029 1.00 0.00 C ATOM 1573 O ALA A 101 8.482 6.238 -17.853 1.00 0.00 O ATOM 1574 CB ALA A 101 5.248 7.327 -16.781 1.00 0.00 C ATOM 0 H ALA A 101 6.799 6.623 -15.026 1.00 0.00 H new ATOM 0 HA ALA A 101 5.696 5.288 -17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.791 7.591 -17.735 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.471 7.032 -16.076 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.788 8.188 -16.387 1.00 0.00 H new ATOM 1580 N HIS A 102 6.823 7.002 -19.147 1.00 0.00 N ATOM 1581 CA HIS A 102 7.663 7.227 -20.319 1.00 0.00 C ATOM 1582 C HIS A 102 8.324 8.584 -20.279 1.00 0.00 C ATOM 1583 O HIS A 102 9.554 8.707 -20.147 1.00 0.00 O ATOM 1584 CB HIS A 102 6.728 7.133 -21.540 1.00 0.00 C ATOM 1585 CG HIS A 102 7.048 5.962 -22.424 1.00 0.00 C ATOM 1586 ND1 HIS A 102 7.339 4.671 -21.995 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.082 6.058 -23.808 1.00 0.00 C ATOM 1588 CE1 HIS A 102 7.525 4.070 -23.185 1.00 0.00 C ATOM 1589 NE2 HIS A 102 7.396 4.821 -24.311 1.00 0.00 N ATOM 0 H HIS A 102 5.854 7.297 -19.271 1.00 0.00 H new ATOM 0 HA HIS A 102 8.465 6.490 -20.359 1.00 0.00 H new ATOM 0 HB2 HIS A 102 5.696 7.054 -21.198 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.801 8.053 -22.121 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.894 6.950 -24.387 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.770 3.020 -23.244 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.505 4.536 -25.284 1.00 0.00 H new ATOM 1597 N ASP A 103 7.539 9.637 -20.407 1.00 0.00 N ATOM 1598 CA ASP A 103 8.082 10.985 -20.557 1.00 0.00 C ATOM 1599 C ASP A 103 8.308 11.653 -19.218 1.00 0.00 C ATOM 1600 O ASP A 103 9.405 11.661 -18.652 1.00 0.00 O ATOM 1601 CB ASP A 103 7.150 11.835 -21.461 1.00 0.00 C ATOM 1602 CG ASP A 103 7.257 11.600 -22.974 1.00 0.00 C ATOM 1603 OD1 ASP A 103 8.485 11.135 -23.354 1.00 0.00 O ATOM 1604 OD2 ASP A 103 6.340 11.828 -23.751 1.00 0.00 O ATOM 0 H ASP A 103 6.520 9.590 -20.411 1.00 0.00 H new ATOM 0 HA ASP A 103 9.057 10.906 -21.037 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.119 11.647 -21.159 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.353 12.888 -21.265 1.00 0.00 H new ATOM 1609 N ASP A 104 7.235 12.205 -18.682 1.00 0.00 N ATOM 1610 CA ASP A 104 7.253 13.042 -17.488 1.00 0.00 C ATOM 1611 C ASP A 104 5.985 13.858 -17.387 1.00 0.00 C ATOM 1612 O ASP A 104 5.584 14.300 -16.301 1.00 0.00 O ATOM 1613 CB ASP A 104 8.514 13.947 -17.478 1.00 0.00 C ATOM 1614 CG ASP A 104 8.439 15.259 -16.687 1.00 0.00 C ATOM 1615 OD1 ASP A 104 7.567 16.098 -16.862 1.00 0.00 O ATOM 1616 OD2 ASP A 104 9.463 15.396 -15.790 1.00 0.00 O ATOM 0 H ASP A 104 6.301 12.083 -19.072 1.00 0.00 H new ATOM 0 HA ASP A 104 7.299 12.396 -16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.344 13.362 -17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.761 14.191 -18.511 1.00 0.00 H new ATOM 1621 N THR A 105 5.338 14.102 -18.513 1.00 0.00 N ATOM 1622 CA THR A 105 4.031 14.758 -18.517 1.00 0.00 C ATOM 1623 C THR A 105 2.934 13.756 -18.253 1.00 0.00 C ATOM 1624 O THR A 105 1.890 14.062 -17.654 1.00 0.00 O ATOM 1625 CB THR A 105 3.792 15.505 -19.872 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.646 16.638 -19.974 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.373 16.070 -20.102 1.00 0.00 C ATOM 0 H THR A 105 5.691 13.858 -19.438 1.00 0.00 H new ATOM 0 HA THR A 105 4.015 15.498 -17.716 1.00 0.00 H new ATOM 0 HB THR A 105 3.981 14.723 -20.608 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.486 17.093 -20.827 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.331 16.564 -21.073 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.649 15.256 -20.078 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.136 16.790 -19.318 1.00 0.00 H new ATOM 1635 N GLU A 106 3.159 12.528 -18.667 1.00 0.00 N ATOM 1636 CA GLU A 106 2.271 11.404 -18.371 1.00 0.00 C ATOM 1637 C GLU A 106 2.695 10.753 -17.074 1.00 0.00 C ATOM 1638 O GLU A 106 1.892 10.148 -16.356 1.00 0.00 O ATOM 1639 CB GLU A 106 2.341 10.432 -19.591 1.00 0.00 C ATOM 1640 CG GLU A 106 2.952 9.018 -19.279 1.00 0.00 C ATOM 1641 CD GLU A 106 2.541 7.811 -20.119 1.00 0.00 C ATOM 1642 OE1 GLU A 106 1.276 7.889 -20.618 1.00 0.00 O ATOM 1643 OE2 GLU A 106 3.283 6.857 -20.325 1.00 0.00 O ATOM 0 H GLU A 106 3.972 12.270 -19.226 1.00 0.00 H new ATOM 0 HA GLU A 106 1.237 11.720 -18.231 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.335 10.297 -19.987 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.933 10.901 -20.377 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.036 9.109 -19.350 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.719 8.785 -18.240 1.00 0.00 H new ATOM 1650 N MET A 107 3.980 10.844 -16.771 1.00 0.00 N ATOM 1651 CA MET A 107 4.505 10.313 -15.513 1.00 0.00 C ATOM 1652 C MET A 107 3.826 10.971 -14.333 1.00 0.00 C ATOM 1653 O MET A 107 3.258 10.347 -13.428 1.00 0.00 O ATOM 1654 CB MET A 107 6.043 10.516 -15.446 1.00 0.00 C ATOM 1655 CG MET A 107 6.805 9.644 -14.424 1.00 0.00 C ATOM 1656 SD MET A 107 8.152 10.596 -13.703 1.00 0.00 S ATOM 1657 CE MET A 107 7.737 10.378 -11.967 1.00 0.00 C ATOM 0 H MET A 107 4.680 11.278 -17.373 1.00 0.00 H new ATOM 0 HA MET A 107 4.295 9.244 -15.471 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.457 10.323 -16.436 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.240 11.563 -15.216 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.126 9.306 -13.641 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.197 8.752 -14.913 1.00 0.00 H new ATOM 0 HE1 MET A 107 8.589 10.664 -11.350 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.881 11.005 -11.716 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.489 9.333 -11.781 1.00 0.00 H new ATOM 1667 N SER A 108 3.857 12.298 -14.336 1.00 0.00 N ATOM 1668 CA SER A 108 3.169 13.089 -13.322 1.00 0.00 C ATOM 1669 C SER A 108 1.673 12.900 -13.412 1.00 0.00 C ATOM 1670 O SER A 108 0.999 12.667 -12.397 1.00 0.00 O ATOM 1671 CB SER A 108 3.565 14.583 -13.425 1.00 0.00 C ATOM 1672 OG SER A 108 4.982 14.787 -13.389 1.00 0.00 O ATOM 0 H SER A 108 4.354 12.852 -15.033 1.00 0.00 H new ATOM 0 HA SER A 108 3.483 12.734 -12.341 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.167 14.996 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.103 15.134 -12.606 1.00 0.00 H new ATOM 0 HG SER A 108 5.351 14.677 -14.290 1.00 0.00 H new ATOM 1678 N GLN A 109 1.122 12.968 -14.613 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.323 12.822 -14.795 1.00 0.00 C ATOM 1680 C GLN A 109 -0.775 11.447 -14.362 1.00 0.00 C ATOM 1681 O GLN A 109 -1.962 11.267 -13.995 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.672 13.107 -16.272 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.889 14.612 -16.645 1.00 0.00 C ATOM 1684 CD GLN A 109 -0.878 15.049 -18.113 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -0.664 14.249 -19.011 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -1.114 16.299 -18.424 1.00 0.00 N ATOM 0 H GLN A 109 1.645 13.122 -15.475 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.853 13.540 -14.169 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.127 12.709 -16.897 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.578 12.556 -16.524 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.848 14.915 -16.224 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.119 15.187 -16.130 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.295 16.982 -17.688 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.117 16.589 -19.402 1.00 0.00 H new ATOM 1695 N TRP A 110 0.073 10.439 -14.403 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.254 9.140 -13.807 1.00 0.00 C ATOM 1697 C TRP A 110 -0.492 9.327 -12.329 1.00 0.00 C ATOM 1698 O TRP A 110 -1.494 8.885 -11.768 1.00 0.00 O ATOM 1699 CB TRP A 110 0.914 8.137 -14.013 1.00 0.00 C ATOM 1700 CG TRP A 110 0.803 7.205 -15.228 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.612 7.217 -16.381 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.040 6.119 -15.369 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.295 6.151 -17.247 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.270 5.484 -16.595 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.065 5.609 -14.524 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.429 4.317 -16.981 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.684 4.415 -14.895 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.390 3.789 -16.115 1.00 0.00 C ATOM 0 H TRP A 110 0.994 10.485 -14.839 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.147 8.742 -14.288 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.841 8.704 -14.100 1.00 0.00 H new ATOM 0 HB3 TRP A 110 0.999 7.522 -13.117 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.379 7.951 -16.577 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.721 5.923 -18.145 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.355 6.130 -13.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.224 3.842 -17.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.404 3.964 -14.229 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.914 2.885 -16.389 1.00 0.00 H new ATOM 1719 N VAL A 111 0.429 10.022 -11.683 1.00 0.00 N ATOM 1720 CA VAL A 111 0.313 10.286 -10.250 1.00 0.00 C ATOM 1721 C VAL A 111 -0.903 11.134 -9.955 1.00 0.00 C ATOM 1722 O VAL A 111 -1.608 10.938 -8.959 1.00 0.00 O ATOM 1723 CB VAL A 111 1.630 10.985 -9.726 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.591 12.533 -9.605 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.096 10.482 -8.338 1.00 0.00 C ATOM 0 H VAL A 111 1.263 10.414 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 111 0.188 9.338 -9.727 1.00 0.00 H new ATOM 0 HB VAL A 111 2.319 10.701 -10.521 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.551 12.893 -9.236 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.391 12.970 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.803 12.824 -8.910 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.005 11.008 -8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.315 10.671 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.296 9.412 -8.387 1.00 0.00 H new ATOM 1735 N THR A 112 -1.177 12.077 -10.838 1.00 0.00 N ATOM 1736 CA THR A 112 -2.289 13.010 -10.680 1.00 0.00 C ATOM 1737 C THR A 112 -3.609 12.273 -10.695 1.00 0.00 C ATOM 1738 O THR A 112 -4.492 12.473 -9.854 1.00 0.00 O ATOM 1739 CB THR A 112 -2.254 14.109 -11.797 1.00 0.00 C ATOM 1740 OG1 THR A 112 -2.757 13.579 -13.020 1.00 0.00 O ATOM 1741 CG2 THR A 112 -0.858 14.690 -12.125 1.00 0.00 C ATOM 0 H THR A 112 -0.635 12.222 -11.690 1.00 0.00 H new ATOM 0 HA THR A 112 -2.185 13.504 -9.714 1.00 0.00 H new ATOM 0 HB THR A 112 -2.862 14.914 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.431 12.662 -13.138 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.951 15.440 -12.910 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.436 15.150 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.201 13.889 -12.465 1.00 0.00 H new ATOM 1749 N SER A 113 -3.754 11.394 -11.674 1.00 0.00 N ATOM 1750 CA SER A 113 -4.902 10.496 -11.755 1.00 0.00 C ATOM 1751 C SER A 113 -4.963 9.613 -10.523 1.00 0.00 C ATOM 1752 O SER A 113 -5.935 9.559 -9.764 1.00 0.00 O ATOM 1753 CB SER A 113 -4.868 9.693 -13.085 1.00 0.00 C ATOM 1754 OG SER A 113 -6.173 9.551 -13.654 1.00 0.00 O ATOM 0 H SER A 113 -3.083 11.281 -12.434 1.00 0.00 H new ATOM 0 HA SER A 113 -5.824 11.077 -11.769 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.214 10.197 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.442 8.707 -12.903 1.00 0.00 H new ATOM 0 HG SER A 113 -6.808 9.287 -12.955 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.866 8.906 -10.288 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.645 8.097 -9.094 1.00 0.00 C ATOM 1762 C LEU A 114 -3.945 8.876 -7.833 1.00 0.00 C ATOM 1763 O LEU A 114 -4.295 8.294 -6.790 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.186 7.546 -9.081 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.797 6.476 -10.139 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -1.071 5.268 -9.514 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -3.044 5.991 -10.904 1.00 0.00 C ATOM 0 H LEU A 114 -3.082 8.878 -10.940 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.335 7.253 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.509 8.392 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.999 7.123 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.106 6.957 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.821 4.550 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.157 5.606 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.721 4.793 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.751 5.242 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.753 5.552 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.511 6.835 -11.411 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.839 10.190 -7.882 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.129 11.032 -6.720 1.00 0.00 C ATOM 1781 C LYS A 115 -5.610 11.067 -6.426 1.00 0.00 C ATOM 1782 O LYS A 115 -6.085 10.606 -5.383 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.588 12.467 -6.967 1.00 0.00 C ATOM 1784 CG LYS A 115 -3.094 13.185 -5.686 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.042 14.273 -5.927 1.00 0.00 C ATOM 1786 CE LYS A 115 -2.706 15.477 -6.608 1.00 0.00 C ATOM 1787 NZ LYS A 115 -1.706 16.542 -6.806 1.00 0.00 N ATOM 0 H LYS A 115 -3.554 10.706 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.630 10.605 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.767 12.416 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.374 13.066 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.951 13.633 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.678 12.441 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.593 14.577 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.237 13.885 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.130 15.178 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.530 15.846 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.155 17.359 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.322 16.833 -5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.934 16.187 -7.406 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.367 11.636 -7.348 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.818 11.725 -7.197 1.00 0.00 C ATOM 1803 C ALA A 116 -8.435 10.352 -7.057 1.00 0.00 C ATOM 1804 O ALA A 116 -9.541 10.190 -6.520 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.365 12.504 -8.405 1.00 0.00 C ATOM 0 H ALA A 116 -6.006 12.044 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.081 12.256 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.449 12.589 -8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.924 13.500 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.111 11.976 -9.324 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.753 9.339 -7.552 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.237 7.960 -7.543 1.00 0.00 C ATOM 1813 C GLN A 117 -8.225 7.354 -6.155 1.00 0.00 C ATOM 1814 O GLN A 117 -9.256 7.143 -5.510 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.342 7.133 -8.496 1.00 0.00 C ATOM 1816 CG GLN A 117 -7.911 6.882 -9.929 1.00 0.00 C ATOM 1817 CD GLN A 117 -8.754 7.928 -10.665 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -8.177 8.780 -11.473 1.00 0.00 O flip ATOM 1819 NE2 GLN A 117 -9.967 7.974 -10.530 1.00 0.00 N flip ATOM 0 H GLN A 117 -6.833 9.445 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.275 7.950 -7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.382 7.641 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.146 6.167 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -7.059 6.658 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.514 5.976 -9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.436 7.318 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.511 8.668 -11.043 1.00 0.00 H new ATOM 1828 N SER A 118 -7.027 7.042 -5.692 1.00 0.00 N ATOM 1829 CA SER A 118 -6.789 6.297 -4.461 1.00 0.00 C ATOM 1830 C SER A 118 -7.697 6.728 -3.330 1.00 0.00 C ATOM 1831 O SER A 118 -8.657 6.025 -2.975 1.00 0.00 O ATOM 1832 CB SER A 118 -5.300 6.410 -4.035 1.00 0.00 C ATOM 1833 OG SER A 118 -4.695 5.143 -3.766 1.00 0.00 O ATOM 0 H SER A 118 -6.167 7.306 -6.173 1.00 0.00 H new ATOM 0 HA SER A 118 -7.024 5.254 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.740 6.913 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.230 7.036 -3.145 1.00 0.00 H new ATOM 0 HG SER A 118 -5.180 4.440 -4.247 1.00 0.00 H new