USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 685 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 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0.08) USER MOD Set 2.1: A 65 ASN : amide:sc= 0.0877 K(o=1.2,f=-4.2!) USER MOD Set 2.2: A 68 GLN : amide:sc= 1.1 K(o=1.2,f=-4.9) USER MOD Single : A 1 SER N :NH3+ -99:sc= 0.0752 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -35:sc= 0.683 USER MOD Single : A 4 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.48) USER MOD Single : A 5 MET CE :methyl 162:sc= -0.0382 (180deg=-0.401) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc=-0.00312 (180deg=-0.105) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 8 CYS SG : rot -35:sc= 0.0783 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.03) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.625) USER MOD Single : A 15 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.742) USER MOD Single : A 28 ASN : amide:sc= -0.0235 K(o=-0.024,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0.997 (180deg=0.982) USER MOD Single : A 34 LYS NZ :NH3+ -106:sc= 0.057 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00839 K(o=-0.0084,f=-0.58) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.368 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.952 K(o=0.98,f=-3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 52 SER OG : rot 148:sc= 1.53 USER MOD Single : A 53 SER OG : rot -3:sc= 0.0315 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.08) USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.468) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.704 USER MOD Single : A 70 GLN : amide:sc= -0.727 K(o=-0.73,f=-1.9) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 77 MET CE :methyl -157:sc= -0.0504 (180deg=-0.116) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -155:sc= -0.202 (180deg=-1.31) USER MOD Single : A 81 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.3) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0.586 (180deg=0.493) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.879 -6.883 -7.960 1.00 0.00 N ATOM 2 CA SER A 1 5.019 -6.041 -9.162 1.00 0.00 C ATOM 3 C SER A 1 5.087 -4.565 -8.794 1.00 0.00 C ATOM 4 O SER A 1 4.737 -4.187 -7.677 1.00 0.00 O ATOM 5 CB SER A 1 3.865 -6.295 -10.129 1.00 0.00 C ATOM 6 OG SER A 1 3.908 -7.641 -10.550 1.00 0.00 O ATOM 0 H1 SER A 1 5.808 -7.268 -7.696 1.00 0.00 H new ATOM 0 H2 SER A 1 4.506 -6.310 -7.176 1.00 0.00 H new ATOM 0 H3 SER A 1 4.224 -7.666 -8.159 1.00 0.00 H new ATOM 0 HA SER A 1 5.954 -6.310 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.913 -6.082 -9.643 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.940 -5.629 -10.988 1.00 0.00 H new ATOM 0 HG SER A 1 3.169 -7.814 -11.170 1.00 0.00 H new ATOM 12 N GLY A 2 5.541 -3.729 -9.732 1.00 0.00 N ATOM 13 CA GLY A 2 5.637 -2.291 -9.527 1.00 0.00 C ATOM 14 C GLY A 2 4.268 -1.620 -9.593 1.00 0.00 C ATOM 15 O GLY A 2 3.244 -2.278 -9.778 1.00 0.00 O ATOM 0 H GLY A 2 5.851 -4.036 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.094 -2.091 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.292 -1.858 -10.284 1.00 0.00 H new ATOM 19 N SER A 3 4.257 -0.294 -9.444 1.00 0.00 N ATOM 20 CA SER A 3 3.028 0.495 -9.476 1.00 0.00 C ATOM 21 C SER A 3 3.287 1.911 -10.007 1.00 0.00 C ATOM 22 O SER A 3 2.401 2.763 -9.966 1.00 0.00 O ATOM 23 CB SER A 3 2.418 0.524 -8.075 1.00 0.00 C ATOM 24 OG SER A 3 1.174 1.193 -8.084 1.00 0.00 O ATOM 0 H SER A 3 5.100 0.261 -9.298 1.00 0.00 H new ATOM 0 HA SER A 3 2.320 0.030 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.286 -0.494 -7.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.100 1.023 -7.387 1.00 0.00 H new ATOM 0 HG SER A 3 1.200 1.924 -8.736 1.00 0.00 H new ATOM 30 N HIS A 4 4.504 2.168 -10.506 1.00 0.00 N ATOM 31 CA HIS A 4 4.905 3.475 -11.007 1.00 0.00 C ATOM 32 C HIS A 4 5.796 3.326 -12.235 1.00 0.00 C ATOM 33 O HIS A 4 6.460 2.303 -12.405 1.00 0.00 O ATOM 34 CB HIS A 4 5.629 4.253 -9.902 1.00 0.00 C ATOM 35 CG HIS A 4 4.822 4.417 -8.641 1.00 0.00 C ATOM 36 ND1 HIS A 4 3.592 5.037 -8.530 1.00 0.00 N ATOM 37 CD2 HIS A 4 5.189 4.003 -7.391 1.00 0.00 C ATOM 38 CE1 HIS A 4 3.217 4.998 -7.240 1.00 0.00 C ATOM 39 NE2 HIS A 4 4.175 4.376 -6.528 1.00 0.00 N ATOM 0 H HIS A 4 5.239 1.463 -10.571 1.00 0.00 H new ATOM 0 HA HIS A 4 4.015 4.031 -11.302 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.561 3.741 -9.661 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.896 5.239 -10.281 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.098 3.483 -7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.298 5.400 -6.840 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.156 4.208 -5.522 1.00 0.00 H new ATOM 48 N MET A 5 5.809 4.348 -13.094 1.00 0.00 N ATOM 49 CA MET A 5 6.599 4.349 -14.320 1.00 0.00 C ATOM 50 C MET A 5 8.063 4.724 -14.068 1.00 0.00 C ATOM 51 O MET A 5 8.854 4.775 -15.010 1.00 0.00 O ATOM 52 CB MET A 5 5.959 5.288 -15.350 1.00 0.00 C ATOM 53 CG MET A 5 4.572 4.799 -15.784 1.00 0.00 C ATOM 54 SD MET A 5 3.236 5.018 -14.573 1.00 0.00 S ATOM 55 CE MET A 5 3.148 6.826 -14.531 1.00 0.00 C ATOM 0 H MET A 5 5.268 5.201 -12.955 1.00 0.00 H new ATOM 0 HA MET A 5 6.603 3.333 -14.716 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.875 6.289 -14.926 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.607 5.365 -16.223 1.00 0.00 H new ATOM 0 HG2 MET A 5 4.295 5.321 -16.700 1.00 0.00 H new ATOM 0 HG3 MET A 5 4.643 3.739 -16.030 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.195 7.134 -14.100 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.964 7.216 -13.923 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.231 7.218 -15.545 1.00 0.00 H new ATOM 65 N LYS A 6 8.429 4.988 -12.808 1.00 0.00 N ATOM 66 CA LYS A 6 9.793 5.322 -12.398 1.00 0.00 C ATOM 67 C LYS A 6 10.388 6.506 -13.162 1.00 0.00 C ATOM 68 O LYS A 6 11.604 6.589 -13.324 1.00 0.00 O ATOM 69 CB LYS A 6 10.687 4.079 -12.464 1.00 0.00 C ATOM 70 CG LYS A 6 10.150 2.960 -11.568 1.00 0.00 C ATOM 71 CD LYS A 6 11.075 1.747 -11.651 1.00 0.00 C ATOM 72 CE LYS A 6 10.563 0.587 -10.795 1.00 0.00 C ATOM 73 NZ LYS A 6 10.535 0.930 -9.362 1.00 0.00 N ATOM 0 H LYS A 6 7.769 4.974 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 6 9.743 5.656 -11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.748 3.726 -13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.700 4.340 -12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.081 3.307 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.143 2.683 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.160 1.424 -12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.075 2.029 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.561 0.310 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.200 -0.285 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.347 0.073 -8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.453 1.330 -9.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.785 1.629 -9.187 1.00 0.00 H new ATOM 87 N THR A 7 9.539 7.425 -13.632 1.00 0.00 N ATOM 88 CA THR A 7 9.983 8.606 -14.367 1.00 0.00 C ATOM 89 C THR A 7 10.864 9.571 -13.581 1.00 0.00 C ATOM 90 O THR A 7 10.842 9.584 -12.351 1.00 0.00 O ATOM 91 CB THR A 7 8.830 9.326 -15.075 1.00 0.00 C ATOM 92 OG1 THR A 7 8.323 10.333 -14.228 1.00 0.00 O ATOM 93 CG2 THR A 7 7.687 8.392 -15.461 1.00 0.00 C ATOM 0 H THR A 7 8.528 7.369 -13.512 1.00 0.00 H new ATOM 0 HA THR A 7 10.643 8.201 -15.134 1.00 0.00 H new ATOM 0 HB THR A 7 9.236 9.745 -15.996 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.586 10.798 -14.677 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.903 8.963 -15.958 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.059 7.622 -16.137 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.282 7.923 -14.564 1.00 0.00 H new ATOM 101 N CYS A 8 11.642 10.380 -14.305 1.00 0.00 N ATOM 102 CA CYS A 8 12.519 11.378 -13.709 1.00 0.00 C ATOM 103 C CYS A 8 11.736 12.659 -13.395 1.00 0.00 C ATOM 104 O CYS A 8 12.298 13.625 -12.881 1.00 0.00 O ATOM 105 CB CYS A 8 13.656 11.663 -14.695 1.00 0.00 C ATOM 106 SG CYS A 8 14.938 12.672 -13.900 1.00 0.00 S ATOM 0 H CYS A 8 11.678 10.357 -15.324 1.00 0.00 H new ATOM 0 HA CYS A 8 12.929 11.006 -12.770 1.00 0.00 H new ATOM 0 HB2 CYS A 8 14.087 10.725 -15.045 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.266 12.182 -15.571 1.00 0.00 H new ATOM 0 HG CYS A 8 14.382 13.508 -13.074 1.00 0.00 H new ATOM 112 N VAL A 9 10.434 12.683 -13.702 1.00 0.00 N ATOM 113 CA VAL A 9 9.595 13.854 -13.483 1.00 0.00 C ATOM 114 C VAL A 9 9.438 14.157 -11.994 1.00 0.00 C ATOM 115 O VAL A 9 9.359 13.242 -11.173 1.00 0.00 O ATOM 116 CB VAL A 9 8.234 13.677 -14.166 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.409 14.960 -14.094 1.00 0.00 C ATOM 118 CG2 VAL A 9 8.417 13.302 -15.639 1.00 0.00 C ATOM 0 H VAL A 9 9.938 11.890 -14.108 1.00 0.00 H new ATOM 0 HA VAL A 9 10.090 14.714 -13.935 1.00 0.00 H new ATOM 0 HB VAL A 9 7.710 12.880 -13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.449 14.804 -14.587 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.242 15.227 -13.051 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.946 15.766 -14.593 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.440 13.180 -16.108 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.969 14.091 -16.150 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.972 12.367 -15.710 1.00 0.00 H new ATOM 128 N VAL A 10 9.394 15.447 -11.653 1.00 0.00 N ATOM 129 CA VAL A 10 9.263 15.917 -10.278 1.00 0.00 C ATOM 130 C VAL A 10 8.458 17.210 -10.276 1.00 0.00 C ATOM 131 O VAL A 10 8.370 17.899 -11.290 1.00 0.00 O ATOM 132 CB VAL A 10 10.644 16.177 -9.656 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.426 14.872 -9.494 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.470 17.146 -10.507 1.00 0.00 C ATOM 0 H VAL A 10 9.449 16.202 -12.336 1.00 0.00 H new ATOM 0 HA VAL A 10 8.758 15.152 -9.688 1.00 0.00 H new ATOM 0 HB VAL A 10 10.470 16.623 -8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.400 15.084 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.872 14.194 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.564 14.407 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.440 17.307 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.614 16.725 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.944 18.097 -10.589 1.00 0.00 H new ATOM 144 N GLU A 11 7.861 17.540 -9.125 1.00 0.00 N ATOM 145 CA GLU A 11 7.133 18.788 -8.957 1.00 0.00 C ATOM 146 C GLU A 11 8.097 19.945 -8.738 1.00 0.00 C ATOM 147 O GLU A 11 9.186 19.755 -8.194 1.00 0.00 O ATOM 148 CB GLU A 11 6.161 18.673 -7.780 1.00 0.00 C ATOM 149 CG GLU A 11 4.995 17.750 -8.128 1.00 0.00 C ATOM 150 CD GLU A 11 4.092 18.339 -9.213 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.255 19.541 -9.523 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.243 17.579 -9.727 1.00 0.00 O ATOM 0 H GLU A 11 7.872 16.949 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 11 6.564 18.985 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.686 18.289 -6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.783 19.661 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.383 16.789 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.405 17.560 -7.231 1.00 0.00 H new ATOM 159 N LYS A 12 7.695 21.144 -9.167 1.00 0.00 N ATOM 160 CA LYS A 12 8.498 22.346 -9.010 1.00 0.00 C ATOM 161 C LYS A 12 7.650 23.563 -8.669 1.00 0.00 C ATOM 162 O LYS A 12 6.459 23.619 -8.973 1.00 0.00 O ATOM 163 CB LYS A 12 9.345 22.623 -10.259 1.00 0.00 C ATOM 164 CG LYS A 12 10.481 21.610 -10.404 1.00 0.00 C ATOM 165 CD LYS A 12 11.506 22.062 -11.448 1.00 0.00 C ATOM 166 CE LYS A 12 12.302 23.255 -10.914 1.00 0.00 C ATOM 167 NZ LYS A 12 13.333 23.691 -11.870 1.00 0.00 N ATOM 0 H LYS A 12 6.802 21.302 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 12 9.168 22.161 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.711 22.588 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.759 23.630 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.975 21.476 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.072 20.641 -10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.181 21.240 -11.687 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.999 22.337 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.623 24.083 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.773 22.985 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.830 24.522 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.014 22.920 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.885 23.940 -12.775 1.00 0.00 H new ATOM 181 N ILE A 13 8.301 24.535 -8.031 1.00 0.00 N ATOM 182 CA ILE A 13 7.736 25.823 -7.659 1.00 0.00 C ATOM 183 C ILE A 13 8.817 26.877 -7.865 1.00 0.00 C ATOM 184 O ILE A 13 10.005 26.561 -7.793 1.00 0.00 O ATOM 185 CB ILE A 13 7.251 25.774 -6.202 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.934 25.001 -6.135 1.00 0.00 C ATOM 187 CG2 ILE A 13 7.078 27.176 -5.601 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.378 24.929 -4.713 1.00 0.00 C ATOM 0 H ILE A 13 9.277 24.438 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 13 6.872 26.072 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 13 8.012 25.266 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.201 25.478 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.088 23.991 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.734 27.090 -4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.033 27.701 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.344 27.733 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.442 24.370 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.098 24.428 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.197 25.938 -4.341 1.00 0.00 H new ATOM 200 N LYS A 14 8.415 28.127 -8.116 1.00 0.00 N ATOM 201 CA LYS A 14 9.351 29.222 -8.319 1.00 0.00 C ATOM 202 C LYS A 14 8.774 30.487 -7.707 1.00 0.00 C ATOM 203 O LYS A 14 7.600 30.794 -7.913 1.00 0.00 O ATOM 204 CB LYS A 14 9.617 29.372 -9.822 1.00 0.00 C ATOM 205 CG LYS A 14 10.757 30.347 -10.104 1.00 0.00 C ATOM 206 CD LYS A 14 10.953 30.442 -11.620 1.00 0.00 C ATOM 207 CE LYS A 14 12.226 31.204 -11.981 1.00 0.00 C ATOM 208 NZ LYS A 14 13.435 30.499 -11.510 1.00 0.00 N ATOM 0 H LYS A 14 7.435 28.401 -8.183 1.00 0.00 H new ATOM 0 HA LYS A 14 10.304 29.023 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.859 28.398 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.711 29.720 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.527 31.329 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.674 30.006 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.997 29.439 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.092 30.940 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.278 31.334 -13.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.191 32.201 -11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.268 30.861 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.555 30.659 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.335 29.480 -11.691 1.00 0.00 H new ATOM 222 N GLN A 15 9.590 31.227 -6.951 1.00 0.00 N ATOM 223 CA GLN A 15 9.143 32.444 -6.292 1.00 0.00 C ATOM 224 C GLN A 15 10.306 33.409 -6.069 1.00 0.00 C ATOM 225 O GLN A 15 11.443 32.989 -5.864 1.00 0.00 O ATOM 226 CB GLN A 15 8.453 32.075 -4.974 1.00 0.00 C ATOM 227 CG GLN A 15 8.017 33.308 -4.181 1.00 0.00 C ATOM 228 CD GLN A 15 7.106 34.214 -5.004 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.200 33.742 -5.684 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.338 35.521 -4.950 1.00 0.00 N ATOM 0 H GLN A 15 10.569 30.997 -6.783 1.00 0.00 H new ATOM 0 HA GLN A 15 8.427 32.960 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.582 31.454 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.132 31.477 -4.366 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.497 32.994 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.897 33.867 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.100 35.880 -4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.754 36.165 -5.484 1.00 0.00 H new ATOM 239 N TRP A 16 10.008 34.708 -6.109 1.00 0.00 N ATOM 240 CA TRP A 16 10.986 35.769 -5.925 1.00 0.00 C ATOM 241 C TRP A 16 11.026 36.223 -4.470 1.00 0.00 C ATOM 242 O TRP A 16 10.026 36.139 -3.759 1.00 0.00 O ATOM 243 CB TRP A 16 10.604 36.944 -6.824 1.00 0.00 C ATOM 244 CG TRP A 16 10.473 36.610 -8.274 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.394 36.034 -8.853 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.459 36.759 -9.342 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.644 35.817 -10.190 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.903 36.253 -10.548 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.763 37.288 -9.412 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.604 36.257 -11.760 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.472 37.301 -10.623 1.00 0.00 C ATOM 252 CH2 TRP A 16 12.900 36.785 -11.794 1.00 0.00 C ATOM 0 H TRP A 16 9.062 35.053 -6.273 1.00 0.00 H new ATOM 0 HA TRP A 16 11.976 35.396 -6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.658 37.357 -6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.354 37.727 -6.713 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.475 35.782 -8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 16 8.981 35.387 -10.835 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.223 37.689 -8.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.151 35.858 -12.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.470 37.713 -10.653 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.457 36.795 -12.719 1.00 0.00 H new ATOM 263 N ILE A 17 12.187 36.709 -4.033 1.00 0.00 N ATOM 264 CA ILE A 17 12.358 37.312 -2.721 1.00 0.00 C ATOM 265 C ILE A 17 13.255 38.540 -2.875 1.00 0.00 C ATOM 266 O ILE A 17 14.271 38.468 -3.571 1.00 0.00 O ATOM 267 CB ILE A 17 12.973 36.329 -1.710 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.011 35.405 -2.364 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.869 35.493 -1.061 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.751 34.575 -1.314 1.00 0.00 C ATOM 0 H ILE A 17 13.042 36.693 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 17 11.380 37.594 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 17 13.488 36.917 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.516 34.742 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.726 36.001 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.311 34.799 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.171 36.151 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.337 34.932 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.479 33.931 -1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 17 15.266 35.240 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.036 33.962 -0.765 1.00 0.00 H new ATOM 282 N PRO A 18 12.908 39.672 -2.247 1.00 0.00 N ATOM 283 CA PRO A 18 13.701 40.885 -2.321 1.00 0.00 C ATOM 284 C PRO A 18 15.038 40.667 -1.616 1.00 0.00 C ATOM 285 O PRO A 18 15.147 39.820 -0.730 1.00 0.00 O ATOM 286 CB PRO A 18 12.857 41.967 -1.648 1.00 0.00 C ATOM 287 CG PRO A 18 12.002 41.172 -0.666 1.00 0.00 C ATOM 288 CD PRO A 18 11.743 39.863 -1.412 1.00 0.00 C ATOM 0 HA PRO A 18 13.941 41.176 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.477 42.704 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.245 42.509 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.523 41.003 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.073 41.691 -0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.614 39.032 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.834 39.923 -2.010 1.00 0.00 H new ATOM 296 N THR A 19 16.059 41.429 -2.003 1.00 0.00 N ATOM 297 CA THR A 19 17.413 41.226 -1.500 1.00 0.00 C ATOM 298 C THR A 19 17.593 41.311 0.014 1.00 0.00 C ATOM 299 O THR A 19 18.566 40.785 0.553 1.00 0.00 O ATOM 300 CB THR A 19 18.428 42.085 -2.260 1.00 0.00 C ATOM 301 OG1 THR A 19 17.943 42.390 -3.548 1.00 0.00 O ATOM 302 CG2 THR A 19 19.766 41.363 -2.386 1.00 0.00 C ATOM 0 H THR A 19 15.971 42.197 -2.668 1.00 0.00 H new ATOM 0 HA THR A 19 17.618 40.176 -1.709 1.00 0.00 H new ATOM 0 HB THR A 19 18.574 43.007 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.600 42.941 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.470 41.993 -2.929 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.161 41.152 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.625 40.427 -2.927 1.00 0.00 H new ATOM 310 N THR A 20 16.655 41.965 0.701 1.00 0.00 N ATOM 311 CA THR A 20 16.673 42.068 2.156 1.00 0.00 C ATOM 312 C THR A 20 16.202 40.817 2.886 1.00 0.00 C ATOM 313 O THR A 20 16.349 40.707 4.104 1.00 0.00 O ATOM 314 CB THR A 20 15.970 43.337 2.648 1.00 0.00 C ATOM 315 OG1 THR A 20 14.597 43.074 2.846 1.00 0.00 O ATOM 316 CG2 THR A 20 16.108 44.494 1.658 1.00 0.00 C ATOM 0 H THR A 20 15.864 42.437 0.263 1.00 0.00 H new ATOM 0 HA THR A 20 17.727 42.154 2.422 1.00 0.00 H new ATOM 0 HB THR A 20 16.448 43.628 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.150 43.887 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.594 45.372 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.163 44.726 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.665 44.211 0.703 1.00 0.00 H new ATOM 324 N GLU A 21 15.632 39.867 2.137 1.00 0.00 N ATOM 325 CA GLU A 21 15.125 38.617 2.681 1.00 0.00 C ATOM 326 C GLU A 21 16.009 37.434 2.277 1.00 0.00 C ATOM 327 O GLU A 21 15.903 36.362 2.872 1.00 0.00 O ATOM 328 CB GLU A 21 13.684 38.407 2.198 1.00 0.00 C ATOM 329 CG GLU A 21 12.737 39.532 2.632 1.00 0.00 C ATOM 330 CD GLU A 21 12.625 39.694 4.152 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.987 40.686 4.572 1.00 0.00 O ATOM 332 OE2 GLU A 21 13.168 38.839 4.882 1.00 0.00 O ATOM 0 H GLU A 21 15.512 39.952 1.128 1.00 0.00 H new ATOM 0 HA GLU A 21 15.140 38.674 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.678 38.334 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.312 37.458 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.082 40.472 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.746 39.338 2.223 1.00 0.00 H new ATOM 339 N VAL A 22 16.881 37.615 1.281 1.00 0.00 N ATOM 340 CA VAL A 22 17.779 36.548 0.852 1.00 0.00 C ATOM 341 C VAL A 22 18.804 36.245 1.939 1.00 0.00 C ATOM 342 O VAL A 22 19.271 35.113 2.055 1.00 0.00 O ATOM 343 CB VAL A 22 18.480 36.948 -0.455 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.394 35.832 -0.955 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.460 37.255 -1.551 1.00 0.00 C ATOM 0 H VAL A 22 16.981 38.487 0.761 1.00 0.00 H new ATOM 0 HA VAL A 22 17.195 35.645 0.674 1.00 0.00 H new ATOM 0 HB VAL A 22 19.071 37.838 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.876 36.144 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.155 35.620 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.805 34.933 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.982 37.536 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.850 36.371 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.820 38.077 -1.232 1.00 0.00 H new ATOM 355 N GLY A 23 19.158 37.253 2.745 1.00 0.00 N ATOM 356 CA GLY A 23 20.150 37.101 3.798 1.00 0.00 C ATOM 357 C GLY A 23 19.623 36.264 4.960 1.00 0.00 C ATOM 358 O GLY A 23 20.409 35.807 5.788 1.00 0.00 O ATOM 0 H GLY A 23 18.762 38.191 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.045 36.632 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.445 38.085 4.164 1.00 0.00 H new ATOM 362 N LYS A 24 18.304 36.051 5.036 1.00 0.00 N ATOM 363 CA LYS A 24 17.708 35.229 6.081 1.00 0.00 C ATOM 364 C LYS A 24 17.669 33.756 5.679 1.00 0.00 C ATOM 365 O LYS A 24 17.199 32.927 6.456 1.00 0.00 O ATOM 366 CB LYS A 24 16.303 35.730 6.412 1.00 0.00 C ATOM 367 CG LYS A 24 16.325 37.198 6.841 1.00 0.00 C ATOM 368 CD LYS A 24 14.964 37.568 7.438 1.00 0.00 C ATOM 369 CE LYS A 24 14.915 39.050 7.817 1.00 0.00 C ATOM 370 NZ LYS A 24 15.011 39.915 6.630 1.00 0.00 N ATOM 0 H LYS A 24 17.630 36.442 4.378 1.00 0.00 H new ATOM 0 HA LYS A 24 18.332 35.313 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.658 35.613 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.876 35.122 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.114 37.363 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.546 37.836 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.175 37.347 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.772 36.957 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.986 39.260 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.732 39.278 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.629 40.856 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.007 40.005 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.465 39.496 5.850 1.00 0.00 H new ATOM 384 N ILE A 25 18.153 33.427 4.478 1.00 0.00 N ATOM 385 CA ILE A 25 18.110 32.060 3.977 1.00 0.00 C ATOM 386 C ILE A 25 19.498 31.581 3.553 1.00 0.00 C ATOM 387 O ILE A 25 19.820 30.406 3.718 1.00 0.00 O ATOM 388 CB ILE A 25 17.134 31.983 2.792 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.767 32.597 3.143 1.00 0.00 C ATOM 390 CG2 ILE A 25 16.971 30.527 2.344 1.00 0.00 C ATOM 391 CD1 ILE A 25 14.855 32.645 1.918 1.00 0.00 C ATOM 0 H ILE A 25 18.580 34.095 3.836 1.00 0.00 H new ATOM 0 HA ILE A 25 17.766 31.406 4.778 1.00 0.00 H new ATOM 0 HB ILE A 25 17.552 32.566 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.293 32.011 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.907 33.604 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.278 30.480 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 25 17.939 30.130 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.580 29.934 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.896 33.083 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.320 33.252 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.697 31.634 1.542 1.00 0.00 H new ATOM 403 N LEU A 26 20.324 32.485 3.012 1.00 0.00 N ATOM 404 CA LEU A 26 21.645 32.147 2.488 1.00 0.00 C ATOM 405 C LEU A 26 22.765 32.865 3.246 1.00 0.00 C ATOM 406 O LEU A 26 23.934 32.710 2.906 1.00 0.00 O ATOM 407 CB LEU A 26 21.699 32.491 0.998 1.00 0.00 C ATOM 408 CG LEU A 26 20.509 31.949 0.205 1.00 0.00 C ATOM 409 CD1 LEU A 26 20.622 32.404 -1.248 1.00 0.00 C ATOM 410 CD2 LEU A 26 20.480 30.423 0.235 1.00 0.00 C ATOM 0 H LEU A 26 20.090 33.474 2.927 1.00 0.00 H new ATOM 0 HA LEU A 26 21.804 31.078 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.739 33.574 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.620 32.092 0.574 1.00 0.00 H new ATOM 0 HG LEU A 26 19.594 32.330 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.775 32.019 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.622 33.493 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.549 32.025 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.624 30.064 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.398 30.033 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.397 30.081 1.267 1.00 0.00 H new ATOM 422 N GLY A 27 22.416 33.649 4.272 1.00 0.00 N ATOM 423 CA GLY A 27 23.369 34.461 5.020 1.00 0.00 C ATOM 424 C GLY A 27 24.180 33.661 6.042 1.00 0.00 C ATOM 425 O GLY A 27 24.983 34.247 6.768 1.00 0.00 O ATOM 0 H GLY A 27 21.456 33.735 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.053 34.941 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.831 35.256 5.536 1.00 0.00 H new ATOM 429 N ASN A 28 23.983 32.340 6.112 1.00 0.00 N ATOM 430 CA ASN A 28 24.684 31.495 7.065 1.00 0.00 C ATOM 431 C ASN A 28 24.952 30.123 6.445 1.00 0.00 C ATOM 432 O ASN A 28 24.383 29.119 6.871 1.00 0.00 O ATOM 433 CB ASN A 28 23.859 31.394 8.353 1.00 0.00 C ATOM 434 CG ASN A 28 24.594 30.633 9.450 1.00 0.00 C ATOM 435 OD1 ASN A 28 25.805 30.432 9.380 1.00 0.00 O ATOM 436 ND2 ASN A 28 23.867 30.200 10.476 1.00 0.00 N ATOM 0 H ASN A 28 23.334 31.835 5.509 1.00 0.00 H new ATOM 0 HA ASN A 28 25.650 31.932 7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 28 23.618 32.396 8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 28 22.914 30.896 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 28 24.312 29.684 11.235 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.864 30.383 10.504 1.00 0.00 H new ATOM 443 N ARG A 29 25.820 30.087 5.426 1.00 0.00 N ATOM 444 CA ARG A 29 26.176 28.860 4.717 1.00 0.00 C ATOM 445 C ARG A 29 24.946 28.117 4.199 1.00 0.00 C ATOM 446 O ARG A 29 24.989 26.902 4.009 1.00 0.00 O ATOM 447 CB ARG A 29 27.069 27.970 5.587 1.00 0.00 C ATOM 448 CG ARG A 29 28.344 28.709 5.997 1.00 0.00 C ATOM 449 CD ARG A 29 29.244 27.806 6.841 1.00 0.00 C ATOM 450 NE ARG A 29 28.586 27.391 8.087 1.00 0.00 N ATOM 451 CZ ARG A 29 28.576 28.115 9.208 1.00 0.00 C ATOM 452 NH1 ARG A 29 29.178 29.299 9.262 1.00 0.00 N ATOM 453 NH2 ARG A 29 27.951 27.658 10.291 1.00 0.00 N ATOM 0 H ARG A 29 26.296 30.916 5.071 1.00 0.00 H new ATOM 0 HA ARG A 29 26.751 29.141 3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.522 27.659 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.329 27.064 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.882 29.038 5.108 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.086 29.604 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.518 26.923 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.169 28.332 7.076 1.00 0.00 H new ATOM 0 HE ARG A 29 28.106 26.491 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.656 29.666 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.162 29.841 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 29 27.479 26.754 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 29 27.944 28.212 11.147 1.00 0.00 H new ATOM 467 N ALA A 30 23.852 28.851 3.977 1.00 0.00 N ATOM 468 CA ALA A 30 22.571 28.309 3.546 1.00 0.00 C ATOM 469 C ALA A 30 22.073 27.189 4.460 1.00 0.00 C ATOM 470 O ALA A 30 21.293 26.338 4.031 1.00 0.00 O ATOM 471 CB ALA A 30 22.649 27.891 2.078 1.00 0.00 C ATOM 0 H ALA A 30 23.838 29.864 4.097 1.00 0.00 H new ATOM 0 HA ALA A 30 21.821 29.095 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.687 27.487 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.896 28.758 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.420 27.130 1.957 1.00 0.00 H new ATOM 477 N ALA A 31 22.515 27.171 5.721 1.00 0.00 N ATOM 478 CA ALA A 31 22.093 26.155 6.672 1.00 0.00 C ATOM 479 C ALA A 31 20.589 26.256 6.946 1.00 0.00 C ATOM 480 O ALA A 31 19.969 25.275 7.352 1.00 0.00 O ATOM 481 CB ALA A 31 22.890 26.330 7.964 1.00 0.00 C ATOM 0 H ALA A 31 23.168 27.855 6.102 1.00 0.00 H new ATOM 0 HA ALA A 31 22.284 25.166 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.583 25.574 8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.954 26.220 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.703 27.322 8.376 1.00 0.00 H new ATOM 487 N VAL A 32 20.004 27.438 6.723 1.00 0.00 N ATOM 488 CA VAL A 32 18.573 27.644 6.893 1.00 0.00 C ATOM 489 C VAL A 32 17.825 26.971 5.743 1.00 0.00 C ATOM 490 O VAL A 32 16.753 26.408 5.947 1.00 0.00 O ATOM 491 CB VAL A 32 18.286 29.149 6.911 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.781 29.414 6.881 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.886 29.784 8.167 1.00 0.00 C ATOM 0 H VAL A 32 20.511 28.270 6.422 1.00 0.00 H new ATOM 0 HA VAL A 32 18.237 27.205 7.833 1.00 0.00 H new ATOM 0 HB VAL A 32 18.741 29.591 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.600 30.489 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.354 28.986 5.974 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.314 28.957 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.676 30.854 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.445 29.326 9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.964 29.626 8.175 1.00 0.00 H new ATOM 503 N LYS A 33 18.393 27.025 4.531 1.00 0.00 N ATOM 504 CA LYS A 33 17.782 26.394 3.372 1.00 0.00 C ATOM 505 C LYS A 33 17.860 24.881 3.513 1.00 0.00 C ATOM 506 O LYS A 33 16.900 24.178 3.212 1.00 0.00 O ATOM 507 CB LYS A 33 18.512 26.855 2.106 1.00 0.00 C ATOM 508 CG LYS A 33 17.826 26.316 0.846 1.00 0.00 C ATOM 509 CD LYS A 33 18.557 26.796 -0.412 1.00 0.00 C ATOM 510 CE LYS A 33 19.915 26.112 -0.581 1.00 0.00 C ATOM 511 NZ LYS A 33 19.766 24.674 -0.883 1.00 0.00 N ATOM 0 H LYS A 33 19.274 27.501 4.336 1.00 0.00 H new ATOM 0 HA LYS A 33 16.733 26.681 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.536 27.944 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.547 26.514 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.811 25.226 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.788 26.649 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.940 26.598 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.699 27.875 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.470 26.597 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.500 26.234 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.706 24.246 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.273 24.204 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.214 24.558 -1.757 1.00 0.00 H new ATOM 525 N LYS A 34 19.009 24.378 3.978 1.00 0.00 N ATOM 526 CA LYS A 34 19.242 22.948 4.135 1.00 0.00 C ATOM 527 C LYS A 34 18.447 22.355 5.296 1.00 0.00 C ATOM 528 O LYS A 34 18.345 21.135 5.402 1.00 0.00 O ATOM 529 CB LYS A 34 20.745 22.694 4.290 1.00 0.00 C ATOM 530 CG LYS A 34 21.464 23.025 2.977 1.00 0.00 C ATOM 531 CD LYS A 34 22.979 22.834 3.091 1.00 0.00 C ATOM 532 CE LYS A 34 23.572 23.832 4.087 1.00 0.00 C ATOM 533 NZ LYS A 34 25.045 23.728 4.130 1.00 0.00 N ATOM 0 H LYS A 34 19.802 24.957 4.255 1.00 0.00 H new ATOM 0 HA LYS A 34 18.885 22.440 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.145 23.305 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.922 21.653 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.077 22.389 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.248 24.056 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.200 21.816 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.443 22.968 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.284 24.845 3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.162 23.647 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.334 23.255 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.378 23.175 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.461 24.680 4.096 1.00 0.00 H new ATOM 547 N HIS A 35 17.876 23.188 6.169 1.00 0.00 N ATOM 548 CA HIS A 35 17.003 22.705 7.235 1.00 0.00 C ATOM 549 C HIS A 35 15.594 22.458 6.701 1.00 0.00 C ATOM 550 O HIS A 35 14.920 21.536 7.151 1.00 0.00 O ATOM 551 CB HIS A 35 16.981 23.729 8.373 1.00 0.00 C ATOM 552 CG HIS A 35 16.057 23.329 9.496 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.172 22.199 10.285 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.966 24.031 9.927 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.160 22.215 11.173 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.417 23.320 10.976 1.00 0.00 N ATOM 0 H HIS A 35 18.004 24.200 6.157 1.00 0.00 H new ATOM 0 HA HIS A 35 17.386 21.758 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.991 23.853 8.765 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.671 24.697 7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.602 24.965 9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.974 21.461 11.924 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.590 23.587 11.510 1.00 0.00 H new ATOM 565 N ILE A 36 15.151 23.278 5.744 1.00 0.00 N ATOM 566 CA ILE A 36 13.833 23.121 5.140 1.00 0.00 C ATOM 567 C ILE A 36 13.812 21.890 4.237 1.00 0.00 C ATOM 568 O ILE A 36 12.778 21.240 4.096 1.00 0.00 O ATOM 569 CB ILE A 36 13.463 24.396 4.374 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.256 25.537 5.376 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.194 24.197 3.537 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.111 26.888 4.680 1.00 0.00 C ATOM 0 H ILE A 36 15.691 24.059 5.372 1.00 0.00 H new ATOM 0 HA ILE A 36 13.086 22.968 5.919 1.00 0.00 H new ATOM 0 HB ILE A 36 14.275 24.641 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.366 25.339 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.100 25.572 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.960 25.120 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.355 23.395 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.364 23.934 4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.966 27.668 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.012 27.099 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.251 26.862 4.011 1.00 0.00 H new ATOM 584 N GLU A 37 14.956 21.559 3.629 1.00 0.00 N ATOM 585 CA GLU A 37 15.074 20.374 2.787 1.00 0.00 C ATOM 586 C GLU A 37 14.944 19.091 3.606 1.00 0.00 C ATOM 587 O GLU A 37 14.559 18.056 3.070 1.00 0.00 O ATOM 588 CB GLU A 37 16.425 20.398 2.071 1.00 0.00 C ATOM 589 CG GLU A 37 16.489 21.567 1.086 1.00 0.00 C ATOM 590 CD GLU A 37 17.847 21.661 0.396 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.980 22.562 -0.461 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.736 20.844 0.724 1.00 0.00 O ATOM 0 H GLU A 37 15.816 22.102 3.708 1.00 0.00 H new ATOM 0 HA GLU A 37 14.264 20.387 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.229 20.486 2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.579 19.459 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.708 21.451 0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.286 22.498 1.615 1.00 0.00 H new ATOM 599 N ARG A 38 15.260 19.158 4.905 1.00 0.00 N ATOM 600 CA ARG A 38 15.138 18.021 5.812 1.00 0.00 C ATOM 601 C ARG A 38 13.796 18.027 6.540 1.00 0.00 C ATOM 602 O ARG A 38 13.385 17.007 7.088 1.00 0.00 O ATOM 603 CB ARG A 38 16.305 18.043 6.800 1.00 0.00 C ATOM 604 CG ARG A 38 17.619 17.822 6.049 1.00 0.00 C ATOM 605 CD ARG A 38 18.802 17.854 7.017 1.00 0.00 C ATOM 606 NE ARG A 38 19.078 19.213 7.494 1.00 0.00 N ATOM 607 CZ ARG A 38 19.408 19.525 8.752 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.477 18.589 9.692 1.00 0.00 N ATOM 609 NH2 ARG A 38 19.673 20.786 9.073 1.00 0.00 N ATOM 0 H ARG A 38 15.608 20.006 5.353 1.00 0.00 H new ATOM 0 HA ARG A 38 15.175 17.099 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.331 18.997 7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.171 17.267 7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.592 16.863 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.744 18.592 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.593 17.205 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 38 19.688 17.455 6.522 1.00 0.00 H new ATOM 0 HE ARG A 38 19.014 19.974 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.277 17.616 9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.730 18.843 10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 38 19.625 21.515 8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.925 21.026 10.032 1.00 0.00 H new ATOM 623 N GLN A 39 13.115 19.178 6.541 1.00 0.00 N ATOM 624 CA GLN A 39 11.807 19.328 7.158 1.00 0.00 C ATOM 625 C GLN A 39 10.701 18.763 6.265 1.00 0.00 C ATOM 626 O GLN A 39 9.678 18.301 6.765 1.00 0.00 O ATOM 627 CB GLN A 39 11.576 20.818 7.419 1.00 0.00 C ATOM 628 CG GLN A 39 10.137 21.125 7.851 1.00 0.00 C ATOM 629 CD GLN A 39 9.728 20.393 9.124 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.560 20.065 9.968 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.432 20.129 9.270 1.00 0.00 N ATOM 0 H GLN A 39 13.465 20.033 6.109 1.00 0.00 H new ATOM 0 HA GLN A 39 11.778 18.769 8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.264 21.158 8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.808 21.382 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.031 22.199 8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.455 20.851 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.769 20.416 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.102 19.640 10.102 1.00 0.00 H new ATOM 640 N PHE A 40 10.912 18.799 4.946 1.00 0.00 N ATOM 641 CA PHE A 40 9.927 18.350 3.978 1.00 0.00 C ATOM 642 C PHE A 40 10.441 17.342 2.950 1.00 0.00 C ATOM 643 O PHE A 40 9.734 17.008 2.002 1.00 0.00 O ATOM 644 CB PHE A 40 9.227 19.548 3.339 1.00 0.00 C ATOM 645 CG PHE A 40 8.354 20.333 4.292 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.630 21.688 4.520 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.277 19.718 4.948 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.839 22.426 5.409 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.485 20.455 5.838 1.00 0.00 C ATOM 650 CZ PHE A 40 6.766 21.809 6.069 1.00 0.00 C ATOM 0 H PHE A 40 11.776 19.143 4.526 1.00 0.00 H new ATOM 0 HA PHE A 40 9.191 17.775 4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.981 20.215 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.615 19.197 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.454 22.164 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.058 18.676 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.055 23.469 5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.658 19.980 6.346 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.156 22.377 6.756 1.00 0.00 H new ATOM 660 N ASN A 41 11.676 16.862 3.145 1.00 0.00 N ATOM 661 CA ASN A 41 12.351 15.948 2.227 1.00 0.00 C ATOM 662 C ASN A 41 12.445 16.513 0.807 1.00 0.00 C ATOM 663 O ASN A 41 12.686 15.774 -0.146 1.00 0.00 O ATOM 664 CB ASN A 41 11.699 14.561 2.275 1.00 0.00 C ATOM 665 CG ASN A 41 11.737 13.948 3.670 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.553 14.327 4.506 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.848 12.994 3.930 1.00 0.00 N ATOM 0 H ASN A 41 12.240 17.104 3.960 1.00 0.00 H new ATOM 0 HA ASN A 41 13.382 15.835 2.561 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.664 14.638 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.209 13.898 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.829 12.551 4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.185 12.705 3.211 1.00 0.00 H new ATOM 674 N CYS A 42 12.249 17.826 0.668 1.00 0.00 N ATOM 675 CA CYS A 42 12.308 18.523 -0.606 1.00 0.00 C ATOM 676 C CYS A 42 13.734 19.001 -0.881 1.00 0.00 C ATOM 677 O CYS A 42 14.652 18.742 -0.104 1.00 0.00 O ATOM 678 CB CYS A 42 11.336 19.706 -0.554 1.00 0.00 C ATOM 679 SG CYS A 42 11.875 20.880 0.720 1.00 0.00 S ATOM 0 H CYS A 42 12.042 18.440 1.456 1.00 0.00 H new ATOM 0 HA CYS A 42 12.022 17.852 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.296 20.200 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.328 19.353 -0.335 1.00 0.00 H new ATOM 0 HG CYS A 42 11.911 22.079 0.218 1.00 0.00 H new ATOM 685 N VAL A 43 13.915 19.710 -1.998 1.00 0.00 N ATOM 686 CA VAL A 43 15.182 20.330 -2.363 1.00 0.00 C ATOM 687 C VAL A 43 14.908 21.770 -2.780 1.00 0.00 C ATOM 688 O VAL A 43 13.851 22.049 -3.344 1.00 0.00 O ATOM 689 CB VAL A 43 15.866 19.533 -3.479 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.168 20.206 -3.909 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.180 18.110 -3.015 1.00 0.00 C ATOM 0 H VAL A 43 13.173 19.869 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 43 15.864 20.331 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 43 15.178 19.499 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.635 19.622 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.955 21.210 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.845 20.267 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.665 17.563 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.844 18.147 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.254 17.605 -2.739 1.00 0.00 H new ATOM 701 N ILE A 44 15.841 22.685 -2.510 1.00 0.00 N ATOM 702 CA ILE A 44 15.665 24.093 -2.832 1.00 0.00 C ATOM 703 C ILE A 44 16.916 24.627 -3.525 1.00 0.00 C ATOM 704 O ILE A 44 18.034 24.281 -3.141 1.00 0.00 O ATOM 705 CB ILE A 44 15.323 24.888 -1.563 1.00 0.00 C ATOM 706 CG1 ILE A 44 14.036 24.339 -0.931 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.146 26.376 -1.894 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.594 25.121 0.305 1.00 0.00 C ATOM 0 H ILE A 44 16.733 22.468 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 44 14.830 24.210 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 44 16.145 24.782 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.237 24.360 -1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.189 23.295 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.904 26.925 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.071 26.767 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.337 26.495 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.679 24.683 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.377 25.078 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.410 26.160 0.032 1.00 0.00 H new ATOM 720 N THR A 45 16.722 25.470 -4.541 1.00 0.00 N ATOM 721 CA THR A 45 17.809 26.010 -5.343 1.00 0.00 C ATOM 722 C THR A 45 17.716 27.503 -5.627 1.00 0.00 C ATOM 723 O THR A 45 16.710 27.982 -6.151 1.00 0.00 O ATOM 724 CB THR A 45 18.000 25.211 -6.634 1.00 0.00 C ATOM 725 OG1 THR A 45 17.797 23.831 -6.418 1.00 0.00 O ATOM 726 CG2 THR A 45 19.394 25.447 -7.215 1.00 0.00 C ATOM 0 H THR A 45 15.799 25.796 -4.828 1.00 0.00 H new ATOM 0 HA THR A 45 18.697 25.897 -4.721 1.00 0.00 H new ATOM 0 HB THR A 45 17.255 25.560 -7.349 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.924 23.346 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.508 24.870 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.522 26.507 -7.435 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.147 25.133 -6.492 1.00 0.00 H new ATOM 734 N VAL A 46 18.773 28.241 -5.281 1.00 0.00 N ATOM 735 CA VAL A 46 18.846 29.664 -5.571 1.00 0.00 C ATOM 736 C VAL A 46 19.241 29.934 -7.018 1.00 0.00 C ATOM 737 O VAL A 46 19.878 29.100 -7.660 1.00 0.00 O ATOM 738 CB VAL A 46 19.762 30.379 -4.565 1.00 0.00 C ATOM 739 CG1 VAL A 46 21.238 30.157 -4.899 1.00 0.00 C ATOM 740 CG2 VAL A 46 19.468 31.880 -4.564 1.00 0.00 C ATOM 0 H VAL A 46 19.591 27.869 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 46 17.846 30.082 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 46 19.562 29.960 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 46 21.858 30.676 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 21.461 29.090 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 46 21.448 30.546 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 46 20.122 32.378 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 46 19.644 32.286 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.428 32.047 -4.283 1.00 0.00 H new ATOM 750 N HIS A 47 18.862 31.108 -7.528 1.00 0.00 N ATOM 751 CA HIS A 47 19.194 31.545 -8.872 1.00 0.00 C ATOM 752 C HIS A 47 19.645 33.003 -8.866 1.00 0.00 C ATOM 753 O HIS A 47 19.078 33.843 -9.564 1.00 0.00 O ATOM 754 CB HIS A 47 18.005 31.271 -9.789 1.00 0.00 C ATOM 755 CG HIS A 47 17.888 29.816 -10.160 1.00 0.00 C ATOM 756 ND1 HIS A 47 18.662 29.165 -11.102 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.002 28.916 -9.643 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.244 27.885 -11.164 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.233 27.715 -10.286 1.00 0.00 N ATOM 0 H HIS A 47 18.308 31.787 -7.005 1.00 0.00 H new ATOM 0 HA HIS A 47 20.041 30.981 -9.263 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.088 31.592 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.104 31.867 -10.696 1.00 0.00 H new ATOM 0 HD1 HIS A 47 19.415 29.579 -11.652 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.263 29.106 -8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 47 18.651 27.121 -11.810 1.00 0.00 H new ATOM 768 N THR A 48 20.673 33.306 -8.068 1.00 0.00 N ATOM 769 CA THR A 48 21.203 34.657 -7.922 1.00 0.00 C ATOM 770 C THR A 48 21.750 35.284 -9.204 1.00 0.00 C ATOM 771 O THR A 48 21.993 36.488 -9.243 1.00 0.00 O ATOM 772 CB THR A 48 22.213 34.764 -6.771 1.00 0.00 C ATOM 773 OG1 THR A 48 23.507 34.470 -7.253 1.00 0.00 O ATOM 774 CG2 THR A 48 21.901 33.835 -5.600 1.00 0.00 C ATOM 0 H THR A 48 21.162 32.612 -7.502 1.00 0.00 H new ATOM 0 HA THR A 48 20.328 35.255 -7.668 1.00 0.00 H new ATOM 0 HB THR A 48 22.150 35.786 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.153 34.540 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.655 33.963 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.918 34.077 -5.195 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.907 32.801 -5.944 1.00 0.00 H new ATOM 782 N GLU A 49 21.946 34.480 -10.253 1.00 0.00 N ATOM 783 CA GLU A 49 22.405 34.976 -11.542 1.00 0.00 C ATOM 784 C GLU A 49 21.286 35.737 -12.259 1.00 0.00 C ATOM 785 O GLU A 49 21.543 36.443 -13.233 1.00 0.00 O ATOM 786 CB GLU A 49 22.924 33.812 -12.400 1.00 0.00 C ATOM 787 CG GLU A 49 21.843 32.823 -12.852 1.00 0.00 C ATOM 788 CD GLU A 49 21.439 31.808 -11.781 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.065 31.800 -10.699 1.00 0.00 O ATOM 790 OE2 GLU A 49 20.495 31.038 -12.057 1.00 0.00 O ATOM 0 H GLU A 49 21.790 33.472 -10.227 1.00 0.00 H new ATOM 0 HA GLU A 49 23.226 35.674 -11.378 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.417 34.220 -13.282 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.681 33.269 -11.834 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.959 33.382 -13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.201 32.286 -13.730 1.00 0.00 H new ATOM 797 N VAL A 50 20.045 35.596 -11.780 1.00 0.00 N ATOM 798 CA VAL A 50 18.890 36.302 -12.319 1.00 0.00 C ATOM 799 C VAL A 50 18.683 37.635 -11.604 1.00 0.00 C ATOM 800 O VAL A 50 19.106 37.799 -10.461 1.00 0.00 O ATOM 801 CB VAL A 50 17.637 35.418 -12.222 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.447 36.048 -12.951 1.00 0.00 C ATOM 803 CG2 VAL A 50 17.898 34.033 -12.816 1.00 0.00 C ATOM 0 H VAL A 50 19.818 34.981 -10.999 1.00 0.00 H new ATOM 0 HA VAL A 50 19.075 36.520 -13.371 1.00 0.00 H new ATOM 0 HB VAL A 50 17.398 35.325 -11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 50 15.579 35.395 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.220 37.017 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.694 36.181 -14.004 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.996 33.427 -12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.175 34.133 -13.865 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.710 33.551 -12.271 1.00 0.00 H new ATOM 813 N GLN A 51 18.035 38.592 -12.278 1.00 0.00 N ATOM 814 CA GLN A 51 17.718 39.884 -11.692 1.00 0.00 C ATOM 815 C GLN A 51 16.404 40.411 -12.263 1.00 0.00 C ATOM 816 O GLN A 51 16.277 40.590 -13.474 1.00 0.00 O ATOM 817 CB GLN A 51 18.876 40.852 -11.942 1.00 0.00 C ATOM 818 CG GLN A 51 18.540 42.254 -11.424 1.00 0.00 C ATOM 819 CD GLN A 51 19.743 43.190 -11.467 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.843 42.805 -11.858 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.543 44.441 -11.061 1.00 0.00 N ATOM 0 H GLN A 51 17.720 38.486 -13.242 1.00 0.00 H new ATOM 0 HA GLN A 51 17.587 39.782 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.776 40.484 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.093 40.897 -13.009 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.732 42.676 -12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.174 42.183 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.619 44.732 -10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.314 45.109 -11.069 1.00 0.00 H new ATOM 830 N SER A 52 15.430 40.661 -11.387 1.00 0.00 N ATOM 831 CA SER A 52 14.132 41.194 -11.772 1.00 0.00 C ATOM 832 C SER A 52 14.208 42.702 -11.994 1.00 0.00 C ATOM 833 O SER A 52 15.267 43.310 -11.838 1.00 0.00 O ATOM 834 CB SER A 52 13.121 40.892 -10.670 1.00 0.00 C ATOM 835 OG SER A 52 13.415 41.668 -9.527 1.00 0.00 O ATOM 0 H SER A 52 15.525 40.497 -10.385 1.00 0.00 H new ATOM 0 HA SER A 52 13.822 40.724 -12.705 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.112 41.110 -11.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.149 39.832 -10.418 1.00 0.00 H new ATOM 0 HG SER A 52 12.583 41.893 -9.061 1.00 0.00 H new ATOM 841 N SER A 53 13.079 43.311 -12.357 1.00 0.00 N ATOM 842 CA SER A 53 12.981 44.754 -12.547 1.00 0.00 C ATOM 843 C SER A 53 13.046 45.490 -11.207 1.00 0.00 C ATOM 844 O SER A 53 12.978 46.717 -11.171 1.00 0.00 O ATOM 845 CB SER A 53 11.683 45.084 -13.281 1.00 0.00 C ATOM 846 OG SER A 53 10.571 44.684 -12.508 1.00 0.00 O ATOM 0 H SER A 53 12.205 42.814 -12.528 1.00 0.00 H new ATOM 0 HA SER A 53 13.827 45.088 -13.148 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.631 46.154 -13.480 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.664 44.579 -14.247 1.00 0.00 H new ATOM 0 HG SER A 53 10.883 44.244 -11.690 1.00 0.00 H new ATOM 852 N PHE A 54 13.181 44.736 -10.109 1.00 0.00 N ATOM 853 CA PHE A 54 13.296 45.266 -8.761 1.00 0.00 C ATOM 854 C PHE A 54 14.470 44.751 -7.925 1.00 0.00 C ATOM 855 O PHE A 54 14.532 44.987 -6.718 1.00 0.00 O ATOM 856 CB PHE A 54 11.943 45.320 -8.047 1.00 0.00 C ATOM 857 CG PHE A 54 11.063 44.122 -8.308 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.286 42.923 -7.616 1.00 0.00 C ATOM 859 CD2 PHE A 54 10.023 44.204 -9.245 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.464 41.812 -7.853 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.203 43.091 -9.486 1.00 0.00 C ATOM 862 CZ PHE A 54 9.427 41.894 -8.790 1.00 0.00 C ATOM 0 H PHE A 54 13.213 43.717 -10.143 1.00 0.00 H new ATOM 0 HA PHE A 54 13.601 46.304 -8.893 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.113 45.406 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.415 46.221 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.092 42.855 -6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.853 45.125 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.631 40.892 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.401 43.156 -10.206 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.799 41.035 -8.977 1.00 0.00 H new ATOM 872 N GLY A 55 15.405 44.049 -8.573 1.00 0.00 N ATOM 873 CA GLY A 55 16.630 43.572 -7.950 1.00 0.00 C ATOM 874 C GLY A 55 16.452 42.285 -7.143 1.00 0.00 C ATOM 875 O GLY A 55 17.421 41.799 -6.563 1.00 0.00 O ATOM 0 H GLY A 55 15.325 43.796 -9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.379 43.404 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.020 44.350 -7.294 1.00 0.00 H new ATOM 879 N ALA A 56 15.239 41.728 -7.092 1.00 0.00 N ATOM 880 CA ALA A 56 14.972 40.517 -6.329 1.00 0.00 C ATOM 881 C ALA A 56 15.620 39.298 -6.987 1.00 0.00 C ATOM 882 O ALA A 56 15.995 39.339 -8.162 1.00 0.00 O ATOM 883 CB ALA A 56 13.462 40.325 -6.194 1.00 0.00 C ATOM 0 H ALA A 56 14.424 42.104 -7.576 1.00 0.00 H new ATOM 0 HA ALA A 56 15.409 40.621 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.260 39.419 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.031 41.183 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.016 40.236 -7.185 1.00 0.00 H new ATOM 889 N THR A 57 15.748 38.211 -6.224 1.00 0.00 N ATOM 890 CA THR A 57 16.370 36.976 -6.692 1.00 0.00 C ATOM 891 C THR A 57 15.295 35.896 -6.616 1.00 0.00 C ATOM 892 O THR A 57 14.630 35.761 -5.589 1.00 0.00 O ATOM 893 CB THR A 57 17.536 36.629 -5.758 1.00 0.00 C ATOM 894 OG1 THR A 57 18.643 37.451 -6.061 1.00 0.00 O ATOM 895 CG2 THR A 57 17.965 35.171 -5.915 1.00 0.00 C ATOM 0 H THR A 57 15.421 38.165 -5.259 1.00 0.00 H new ATOM 0 HA THR A 57 16.754 37.067 -7.708 1.00 0.00 H new ATOM 0 HB THR A 57 17.199 36.790 -4.734 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.388 37.231 -5.463 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.793 34.960 -5.238 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.126 34.517 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.282 34.994 -6.943 1.00 0.00 H new ATOM 903 N PRO A 58 15.114 35.119 -7.689 1.00 0.00 N ATOM 904 CA PRO A 58 14.187 34.004 -7.726 1.00 0.00 C ATOM 905 C PRO A 58 14.794 32.767 -7.073 1.00 0.00 C ATOM 906 O PRO A 58 16.013 32.624 -6.989 1.00 0.00 O ATOM 907 CB PRO A 58 13.920 33.767 -9.211 1.00 0.00 C ATOM 908 CG PRO A 58 15.254 34.138 -9.854 1.00 0.00 C ATOM 909 CD PRO A 58 15.784 35.266 -8.967 1.00 0.00 C ATOM 0 HA PRO A 58 13.270 34.214 -7.175 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.647 32.731 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.105 34.390 -9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.938 33.290 -9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.124 34.467 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.865 35.195 -8.851 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.574 36.240 -9.408 1.00 0.00 H new ATOM 917 N VAL A 59 13.929 31.863 -6.609 1.00 0.00 N ATOM 918 CA VAL A 59 14.316 30.604 -5.984 1.00 0.00 C ATOM 919 C VAL A 59 13.387 29.494 -6.459 1.00 0.00 C ATOM 920 O VAL A 59 12.219 29.756 -6.744 1.00 0.00 O ATOM 921 CB VAL A 59 14.297 30.736 -4.452 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.808 29.465 -3.774 1.00 0.00 C ATOM 923 CG2 VAL A 59 15.158 31.912 -3.984 1.00 0.00 C ATOM 0 H VAL A 59 12.918 31.992 -6.660 1.00 0.00 H new ATOM 0 HA VAL A 59 15.335 30.351 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 59 13.258 30.906 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.781 29.594 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.175 28.623 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.833 29.271 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.123 31.978 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.188 31.759 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.776 32.837 -4.416 1.00 0.00 H new ATOM 933 N GLU A 60 13.897 28.264 -6.549 1.00 0.00 N ATOM 934 CA GLU A 60 13.119 27.108 -6.974 1.00 0.00 C ATOM 935 C GLU A 60 13.060 26.044 -5.886 1.00 0.00 C ATOM 936 O GLU A 60 13.928 25.985 -5.016 1.00 0.00 O ATOM 937 CB GLU A 60 13.677 26.530 -8.275 1.00 0.00 C ATOM 938 CG GLU A 60 13.257 27.404 -9.457 1.00 0.00 C ATOM 939 CD GLU A 60 13.938 27.000 -10.762 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.670 25.986 -10.753 1.00 0.00 O ATOM 941 OE2 GLU A 60 13.717 27.716 -11.762 1.00 0.00 O ATOM 0 H GLU A 60 14.868 28.045 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 60 12.099 27.444 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.764 26.474 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.312 25.513 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.176 27.343 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.494 28.445 -9.236 1.00 0.00 H new ATOM 948 N ILE A 61 12.028 25.203 -5.945 1.00 0.00 N ATOM 949 CA ILE A 61 11.791 24.135 -4.986 1.00 0.00 C ATOM 950 C ILE A 61 11.450 22.868 -5.764 1.00 0.00 C ATOM 951 O ILE A 61 10.859 22.948 -6.840 1.00 0.00 O ATOM 952 CB ILE A 61 10.660 24.528 -4.022 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.935 25.906 -3.403 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.464 23.454 -2.948 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.806 26.362 -2.478 1.00 0.00 C ATOM 0 H ILE A 61 11.321 25.250 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 61 12.680 23.957 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 61 9.730 24.598 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.869 25.870 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.069 26.639 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.659 23.753 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.208 22.507 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.386 23.336 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.047 27.341 -2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.876 26.425 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.689 25.645 -1.666 1.00 0.00 H new ATOM 967 N VAL A 62 11.822 21.702 -5.223 1.00 0.00 N ATOM 968 CA VAL A 62 11.595 20.414 -5.871 1.00 0.00 C ATOM 969 C VAL A 62 11.163 19.341 -4.881 1.00 0.00 C ATOM 970 O VAL A 62 11.692 19.268 -3.775 1.00 0.00 O ATOM 971 CB VAL A 62 12.834 19.977 -6.664 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.499 18.804 -7.582 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.405 21.111 -7.511 1.00 0.00 C ATOM 0 H VAL A 62 12.290 21.630 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 62 10.771 20.544 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 62 13.583 19.679 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.390 18.509 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.148 17.963 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.719 19.102 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.280 20.754 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.651 21.450 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.692 21.940 -6.864 1.00 0.00 H new ATOM 983 N ALA A 63 10.200 18.511 -5.285 1.00 0.00 N ATOM 984 CA ALA A 63 9.697 17.418 -4.467 1.00 0.00 C ATOM 985 C ALA A 63 8.992 16.384 -5.348 1.00 0.00 C ATOM 986 O ALA A 63 8.742 16.627 -6.527 1.00 0.00 O ATOM 987 CB ALA A 63 8.733 17.976 -3.419 1.00 0.00 C ATOM 0 H ALA A 63 9.747 18.583 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 63 10.529 16.926 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.353 17.161 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.257 18.694 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.900 18.472 -3.918 1.00 0.00 H new ATOM 993 N GLN A 64 8.666 15.225 -4.771 1.00 0.00 N ATOM 994 CA GLN A 64 7.968 14.171 -5.493 1.00 0.00 C ATOM 995 C GLN A 64 6.486 14.497 -5.668 1.00 0.00 C ATOM 996 O GLN A 64 5.802 13.854 -6.461 1.00 0.00 O ATOM 997 CB GLN A 64 8.103 12.852 -4.727 1.00 0.00 C ATOM 998 CG GLN A 64 9.565 12.482 -4.474 1.00 0.00 C ATOM 999 CD GLN A 64 10.388 12.421 -5.757 1.00 0.00 C ATOM 1000 OE1 GLN A 64 11.510 12.917 -5.806 1.00 0.00 O ATOM 1001 NE2 GLN A 64 9.840 11.814 -6.809 1.00 0.00 N ATOM 0 H GLN A 64 8.878 14.997 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 64 8.419 14.086 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.579 12.931 -3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.620 12.054 -5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.008 13.212 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.609 11.515 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.906 11.412 -6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.355 11.752 -7.687 1.00 0.00 H new ATOM 1010 N ASN A 65 5.984 15.491 -4.927 1.00 0.00 N ATOM 1011 CA ASN A 65 4.576 15.850 -4.940 1.00 0.00 C ATOM 1012 C ASN A 65 4.372 17.295 -4.479 1.00 0.00 C ATOM 1013 O ASN A 65 5.256 17.892 -3.867 1.00 0.00 O ATOM 1014 CB ASN A 65 3.811 14.864 -4.047 1.00 0.00 C ATOM 1015 CG ASN A 65 4.366 14.816 -2.629 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.564 15.846 -1.995 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.617 13.618 -2.114 1.00 0.00 N ATOM 0 H ASN A 65 6.550 16.066 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 65 4.191 15.788 -5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.759 15.149 -4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.858 13.868 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.985 13.537 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.442 12.779 -2.666 1.00 0.00 H new ATOM 1024 N LYS A 66 3.197 17.863 -4.771 1.00 0.00 N ATOM 1025 CA LYS A 66 2.877 19.221 -4.337 1.00 0.00 C ATOM 1026 C LYS A 66 2.580 19.277 -2.839 1.00 0.00 C ATOM 1027 O LYS A 66 2.600 20.356 -2.254 1.00 0.00 O ATOM 1028 CB LYS A 66 1.676 19.751 -5.122 1.00 0.00 C ATOM 1029 CG LYS A 66 1.980 19.851 -6.618 1.00 0.00 C ATOM 1030 CD LYS A 66 0.804 20.536 -7.314 1.00 0.00 C ATOM 1031 CE LYS A 66 0.992 20.615 -8.831 1.00 0.00 C ATOM 1032 NZ LYS A 66 2.210 21.359 -9.204 1.00 0.00 N ATOM 0 H LYS A 66 2.458 17.404 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 66 3.748 19.847 -4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.821 19.093 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.396 20.733 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.897 20.418 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.141 18.858 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.114 19.992 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.683 21.542 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.044 19.607 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.123 21.097 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.990 22.019 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.557 21.892 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.943 20.691 -9.518 1.00 0.00 H new ATOM 1046 N GLU A 67 2.310 18.123 -2.224 1.00 0.00 N ATOM 1047 CA GLU A 67 1.969 18.036 -0.809 1.00 0.00 C ATOM 1048 C GLU A 67 3.173 18.333 0.084 1.00 0.00 C ATOM 1049 O GLU A 67 3.024 18.454 1.298 1.00 0.00 O ATOM 1050 CB GLU A 67 1.411 16.645 -0.496 1.00 0.00 C ATOM 1051 CG GLU A 67 0.191 16.297 -1.355 1.00 0.00 C ATOM 1052 CD GLU A 67 -1.008 17.216 -1.109 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -0.981 17.979 -0.116 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.954 17.147 -1.923 1.00 0.00 O ATOM 0 H GLU A 67 2.323 17.221 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 67 1.211 18.791 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.190 15.900 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.136 16.596 0.558 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.470 16.350 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.103 15.267 -1.155 1.00 0.00 H new ATOM 1061 N GLN A 68 4.366 18.451 -0.510 1.00 0.00 N ATOM 1062 CA GLN A 68 5.583 18.778 0.220 1.00 0.00 C ATOM 1063 C GLN A 68 6.307 19.962 -0.421 1.00 0.00 C ATOM 1064 O GLN A 68 7.106 20.623 0.244 1.00 0.00 O ATOM 1065 CB GLN A 68 6.498 17.547 0.257 1.00 0.00 C ATOM 1066 CG GLN A 68 5.834 16.377 0.993 1.00 0.00 C ATOM 1067 CD GLN A 68 6.587 15.072 0.765 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.979 14.034 0.508 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.915 15.098 0.855 1.00 0.00 N ATOM 0 H GLN A 68 4.509 18.321 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 68 5.317 19.064 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.745 17.245 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.436 17.804 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.794 16.593 2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.805 16.268 0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.395 15.972 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.453 14.244 0.710 1.00 0.00 H new ATOM 1078 N CYS A 69 6.042 20.241 -1.700 1.00 0.00 N ATOM 1079 CA CYS A 69 6.678 21.356 -2.382 1.00 0.00 C ATOM 1080 C CYS A 69 6.028 22.664 -1.928 1.00 0.00 C ATOM 1081 O CYS A 69 6.724 23.664 -1.737 1.00 0.00 O ATOM 1082 CB CYS A 69 6.496 21.165 -3.888 1.00 0.00 C ATOM 1083 SG CYS A 69 7.618 22.278 -4.770 1.00 0.00 S ATOM 0 H CYS A 69 5.392 19.708 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 69 7.741 21.396 -2.145 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.701 20.130 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.464 21.371 -4.171 1.00 0.00 H new ATOM 0 HG CYS A 69 7.469 22.118 -6.052 1.00 0.00 H new ATOM 1089 N GLN A 70 4.703 22.665 -1.752 1.00 0.00 N ATOM 1090 CA GLN A 70 3.981 23.854 -1.313 1.00 0.00 C ATOM 1091 C GLN A 70 4.306 24.175 0.142 1.00 0.00 C ATOM 1092 O GLN A 70 4.372 25.344 0.519 1.00 0.00 O ATOM 1093 CB GLN A 70 2.474 23.624 -1.446 1.00 0.00 C ATOM 1094 CG GLN A 70 2.036 23.414 -2.900 1.00 0.00 C ATOM 1095 CD GLN A 70 2.062 24.697 -3.731 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.356 25.777 -3.227 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.756 24.580 -5.020 1.00 0.00 N ATOM 0 H GLN A 70 4.110 21.850 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 70 4.288 24.691 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.190 22.753 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.942 24.479 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.688 22.675 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.027 23.002 -2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.516 23.667 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.761 25.403 -5.622 1.00 0.00 H new ATOM 1106 N GLU A 71 4.510 23.148 0.968 1.00 0.00 N ATOM 1107 CA GLU A 71 4.818 23.354 2.373 1.00 0.00 C ATOM 1108 C GLU A 71 6.217 23.944 2.523 1.00 0.00 C ATOM 1109 O GLU A 71 6.479 24.696 3.460 1.00 0.00 O ATOM 1110 CB GLU A 71 4.716 22.019 3.121 1.00 0.00 C ATOM 1111 CG GLU A 71 3.332 21.378 2.988 1.00 0.00 C ATOM 1112 CD GLU A 71 2.218 22.223 3.610 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.039 21.895 3.348 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.540 23.185 4.342 1.00 0.00 O ATOM 0 H GLU A 71 4.466 22.169 0.684 1.00 0.00 H new ATOM 0 HA GLU A 71 4.102 24.056 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.470 21.332 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.939 22.179 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.112 21.218 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.345 20.397 3.464 1.00 0.00 H new ATOM 1121 N ALA A 72 7.119 23.609 1.595 1.00 0.00 N ATOM 1122 CA ALA A 72 8.470 24.142 1.603 1.00 0.00 C ATOM 1123 C ALA A 72 8.508 25.571 1.059 1.00 0.00 C ATOM 1124 O ALA A 72 9.438 26.315 1.358 1.00 0.00 O ATOM 1125 CB ALA A 72 9.362 23.219 0.775 1.00 0.00 C ATOM 0 H ALA A 72 6.928 22.966 0.827 1.00 0.00 H new ATOM 0 HA ALA A 72 8.835 24.184 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.381 23.606 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.355 22.220 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.988 23.172 -0.248 1.00 0.00 H new ATOM 1131 N ARG A 73 7.505 25.973 0.264 1.00 0.00 N ATOM 1132 CA ARG A 73 7.420 27.333 -0.249 1.00 0.00 C ATOM 1133 C ARG A 73 6.844 28.252 0.819 1.00 0.00 C ATOM 1134 O ARG A 73 7.379 29.326 1.082 1.00 0.00 O ATOM 1135 CB ARG A 73 6.519 27.361 -1.488 1.00 0.00 C ATOM 1136 CG ARG A 73 6.483 28.763 -2.100 1.00 0.00 C ATOM 1137 CD ARG A 73 5.253 28.905 -2.993 1.00 0.00 C ATOM 1138 NE ARG A 73 5.192 30.235 -3.612 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.591 31.281 -3.040 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.043 31.162 -1.835 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.535 32.450 -3.671 1.00 0.00 N ATOM 0 H ARG A 73 6.742 25.366 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 73 8.419 27.676 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.884 26.646 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.510 27.051 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.459 29.514 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.388 28.940 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.275 28.141 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.352 28.734 -2.404 1.00 0.00 H new ATOM 0 HE ARG A 73 5.630 30.366 -4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.081 30.269 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.585 31.964 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.952 32.551 -4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.075 33.246 -3.230 1.00 0.00 H new ATOM 1155 N ASN A 74 5.741 27.822 1.438 1.00 0.00 N ATOM 1156 CA ASN A 74 5.028 28.628 2.412 1.00 0.00 C ATOM 1157 C ASN A 74 5.801 28.732 3.728 1.00 0.00 C ATOM 1158 O ASN A 74 5.503 29.594 4.554 1.00 0.00 O ATOM 1159 CB ASN A 74 3.628 28.036 2.594 1.00 0.00 C ATOM 1160 CG ASN A 74 2.804 28.190 1.319 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.822 29.237 0.680 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.072 27.147 0.940 1.00 0.00 N ATOM 0 H ASN A 74 5.324 26.906 1.273 1.00 0.00 H new ATOM 0 HA ASN A 74 4.932 29.652 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.706 26.981 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.122 28.534 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.503 27.203 0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.079 26.291 1.494 1.00 0.00 H new ATOM 1169 N ALA A 75 6.797 27.860 3.921 1.00 0.00 N ATOM 1170 CA ALA A 75 7.697 27.938 5.059 1.00 0.00 C ATOM 1171 C ALA A 75 8.777 29.001 4.842 1.00 0.00 C ATOM 1172 O ALA A 75 9.577 29.255 5.739 1.00 0.00 O ATOM 1173 CB ALA A 75 8.324 26.565 5.286 1.00 0.00 C ATOM 0 H ALA A 75 6.995 27.084 3.289 1.00 0.00 H new ATOM 0 HA ALA A 75 7.131 28.233 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.002 26.611 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.539 25.835 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.879 26.267 4.397 1.00 0.00 H new ATOM 1179 N VAL A 76 8.810 29.626 3.658 1.00 0.00 N ATOM 1180 CA VAL A 76 9.802 30.643 3.314 1.00 0.00 C ATOM 1181 C VAL A 76 9.140 32.010 3.114 1.00 0.00 C ATOM 1182 O VAL A 76 9.828 33.025 3.036 1.00 0.00 O ATOM 1183 CB VAL A 76 10.584 30.188 2.069 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.640 31.208 1.645 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.304 28.870 2.363 1.00 0.00 C ATOM 0 H VAL A 76 8.143 29.436 2.910 1.00 0.00 H new ATOM 0 HA VAL A 76 10.507 30.759 4.137 1.00 0.00 H new ATOM 0 HB VAL A 76 9.857 30.075 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.165 30.842 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.157 32.157 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.352 31.353 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.856 28.552 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.997 29.011 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.572 28.107 2.628 1.00 0.00 H new ATOM 1195 N MET A 77 7.808 32.055 3.028 1.00 0.00 N ATOM 1196 CA MET A 77 7.096 33.305 2.803 1.00 0.00 C ATOM 1197 C MET A 77 6.880 34.107 4.088 1.00 0.00 C ATOM 1198 O MET A 77 6.488 35.273 4.012 1.00 0.00 O ATOM 1199 CB MET A 77 5.749 33.021 2.133 1.00 0.00 C ATOM 1200 CG MET A 77 5.898 32.460 0.719 1.00 0.00 C ATOM 1201 SD MET A 77 6.619 33.617 -0.479 1.00 0.00 S ATOM 1202 CE MET A 77 8.297 32.949 -0.583 1.00 0.00 C ATOM 0 H MET A 77 7.205 31.237 3.112 1.00 0.00 H new ATOM 0 HA MET A 77 7.720 33.915 2.150 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.187 32.313 2.743 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.166 33.941 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.520 31.566 0.760 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.917 32.150 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.978 33.727 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.612 32.601 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.314 32.116 -1.285 1.00 0.00 H new ATOM 1212 N SER A 78 7.127 33.517 5.260 1.00 0.00 N ATOM 1213 CA SER A 78 6.936 34.230 6.517 1.00 0.00 C ATOM 1214 C SER A 78 7.729 33.620 7.671 1.00 0.00 C ATOM 1215 O SER A 78 8.244 34.352 8.516 1.00 0.00 O ATOM 1216 CB SER A 78 5.442 34.224 6.855 1.00 0.00 C ATOM 1217 OG SER A 78 5.217 34.841 8.107 1.00 0.00 O ATOM 0 H SER A 78 7.456 32.557 5.361 1.00 0.00 H new ATOM 0 HA SER A 78 7.306 35.247 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.885 34.749 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.072 33.199 6.876 1.00 0.00 H new ATOM 0 HG SER A 78 4.258 34.831 8.309 1.00 0.00 H new ATOM 1223 N LEU A 79 7.841 32.287 7.719 1.00 0.00 N ATOM 1224 CA LEU A 79 8.574 31.626 8.793 1.00 0.00 C ATOM 1225 C LEU A 79 10.075 31.696 8.531 1.00 0.00 C ATOM 1226 O LEU A 79 10.855 31.974 9.437 1.00 0.00 O ATOM 1227 CB LEU A 79 8.117 30.168 8.915 1.00 0.00 C ATOM 1228 CG LEU A 79 6.599 30.040 9.099 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.230 28.559 9.181 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.140 30.734 10.383 1.00 0.00 C ATOM 0 H LEU A 79 7.435 31.654 7.030 1.00 0.00 H new ATOM 0 HA LEU A 79 8.366 32.139 9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.419 29.620 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.623 29.702 9.761 1.00 0.00 H new ATOM 0 HG LEU A 79 6.107 30.514 8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.152 28.459 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.532 28.057 8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.742 28.103 10.028 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.060 30.628 10.488 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.635 30.277 11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.397 31.792 10.337 1.00 0.00 H new ATOM 1242 N MET A 80 10.459 31.436 7.275 1.00 0.00 N ATOM 1243 CA MET A 80 11.825 31.476 6.764 1.00 0.00 C ATOM 1244 C MET A 80 12.807 30.561 7.496 1.00 0.00 C ATOM 1245 O MET A 80 13.954 30.451 7.068 1.00 0.00 O ATOM 1246 CB MET A 80 12.321 32.923 6.713 1.00 0.00 C ATOM 1247 CG MET A 80 11.316 33.807 5.971 1.00 0.00 C ATOM 1248 SD MET A 80 11.884 35.504 5.707 1.00 0.00 S ATOM 1249 CE MET A 80 13.001 35.206 4.317 1.00 0.00 C ATOM 0 H MET A 80 9.785 31.179 6.554 1.00 0.00 H new ATOM 0 HA MET A 80 11.787 31.070 5.753 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.468 33.299 7.725 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.289 32.965 6.214 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.094 33.355 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.383 33.830 6.534 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.761 35.987 4.287 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.482 34.236 4.439 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.434 35.216 3.386 1.00 0.00 H new ATOM 1259 N GLN A 81 12.384 29.911 8.587 1.00 0.00 N ATOM 1260 CA GLN A 81 13.211 29.021 9.390 1.00 0.00 C ATOM 1261 C GLN A 81 14.536 29.658 9.826 1.00 0.00 C ATOM 1262 O GLN A 81 15.480 28.952 10.180 1.00 0.00 O ATOM 1263 CB GLN A 81 13.404 27.679 8.674 1.00 0.00 C ATOM 1264 CG GLN A 81 12.069 26.947 8.512 1.00 0.00 C ATOM 1265 CD GLN A 81 11.426 26.603 9.855 1.00 0.00 C ATOM 1266 OE1 GLN A 81 12.101 26.503 10.873 1.00 0.00 O ATOM 1267 NE2 GLN A 81 10.107 26.419 9.863 1.00 0.00 N ATOM 0 H GLN A 81 11.431 29.996 8.940 1.00 0.00 H new ATOM 0 HA GLN A 81 12.676 28.829 10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.852 27.846 7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.098 27.057 9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.385 27.568 7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.227 26.031 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.574 26.510 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.630 26.187 10.734 1.00 0.00 H new ATOM 1276 N SER A 82 14.617 30.993 9.800 1.00 0.00 N ATOM 1277 CA SER A 82 15.824 31.726 10.152 1.00 0.00 C ATOM 1278 C SER A 82 16.066 31.726 11.660 1.00 0.00 C ATOM 1279 O SER A 82 17.123 32.165 12.110 1.00 0.00 O ATOM 1280 CB SER A 82 15.700 33.159 9.629 1.00 0.00 C ATOM 1281 OG SER A 82 14.619 33.804 10.272 1.00 0.00 O ATOM 0 H SER A 82 13.838 31.593 9.531 1.00 0.00 H new ATOM 0 HA SER A 82 16.681 31.233 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.625 33.706 9.813 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.543 33.151 8.550 1.00 0.00 H new ATOM 0 HG SER A 82 14.541 34.722 9.938 1.00 0.00 H new ATOM 1287 N HIS A 83 15.097 31.236 12.442 1.00 0.00 N ATOM 1288 CA HIS A 83 15.184 31.160 13.894 1.00 0.00 C ATOM 1289 C HIS A 83 14.486 29.902 14.405 1.00 0.00 C ATOM 1290 O HIS A 83 13.618 29.353 13.727 1.00 0.00 O ATOM 1291 CB HIS A 83 14.557 32.410 14.519 1.00 0.00 C ATOM 1292 CG HIS A 83 15.253 33.689 14.132 1.00 0.00 C ATOM 1293 ND1 HIS A 83 16.554 34.042 14.451 1.00 0.00 N ATOM 1294 CD2 HIS A 83 14.703 34.721 13.423 1.00 0.00 C ATOM 1295 CE1 HIS A 83 16.785 35.268 13.945 1.00 0.00 C ATOM 1296 NE2 HIS A 83 15.674 35.697 13.315 1.00 0.00 N ATOM 0 H HIS A 83 14.217 30.876 12.071 1.00 0.00 H new ATOM 0 HA HIS A 83 16.234 31.110 14.182 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.511 32.470 14.220 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.573 32.311 15.604 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.700 34.764 13.024 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.710 35.818 14.030 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.568 36.592 12.838 1.00 0.00 H new ATOM 1305 N GLN A 84 14.871 29.449 15.600 1.00 0.00 N ATOM 1306 CA GLN A 84 14.307 28.256 16.218 1.00 0.00 C ATOM 1307 C GLN A 84 14.108 28.453 17.722 1.00 0.00 C ATOM 1308 O GLN A 84 13.665 27.537 18.415 1.00 0.00 O ATOM 1309 CB GLN A 84 15.211 27.048 15.952 1.00 0.00 C ATOM 1310 CG GLN A 84 15.364 26.775 14.451 1.00 0.00 C ATOM 1311 CD GLN A 84 16.217 25.536 14.180 1.00 0.00 C ATOM 1312 OE1 GLN A 84 16.605 24.811 15.094 1.00 0.00 O ATOM 1313 NE2 GLN A 84 16.515 25.279 12.908 1.00 0.00 N ATOM 0 H GLN A 84 15.587 29.905 16.166 1.00 0.00 H new ATOM 0 HA GLN A 84 13.329 28.072 15.773 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.193 27.224 16.392 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.795 26.167 16.442 1.00 0.00 H new ATOM 0 HG2 GLN A 84 14.379 26.642 14.004 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.818 27.641 13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.179 25.898 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 84 17.079 24.463 12.671 1.00 0.00 H new ATOM 1322 N ASP A 85 14.434 29.643 18.239 1.00 0.00 N ATOM 1323 CA ASP A 85 14.305 29.966 19.654 1.00 0.00 C ATOM 1324 C ASP A 85 12.924 30.497 20.057 1.00 0.00 C ATOM 1325 O ASP A 85 12.758 31.013 21.163 1.00 0.00 O ATOM 1326 CB ASP A 85 15.453 30.860 20.141 1.00 0.00 C ATOM 1327 CG ASP A 85 15.747 32.044 19.220 1.00 0.00 C ATOM 1328 OD1 ASP A 85 16.798 32.684 19.442 1.00 0.00 O ATOM 1329 OD2 ASP A 85 14.934 32.310 18.308 1.00 0.00 O ATOM 0 H ASP A 85 14.798 30.412 17.677 1.00 0.00 H new ATOM 0 HA ASP A 85 14.391 29.015 20.180 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.211 31.236 21.135 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.355 30.256 20.240 1.00 0.00 H new ATOM 1334 N LYS A 86 11.941 30.367 19.160 1.00 0.00 N ATOM 1335 CA LYS A 86 10.597 30.896 19.372 1.00 0.00 C ATOM 1336 C LYS A 86 9.558 29.884 18.900 1.00 0.00 C ATOM 1337 O LYS A 86 8.608 29.639 19.675 1.00 0.00 O ATOM 1338 CB LYS A 86 10.431 32.225 18.629 1.00 0.00 C ATOM 1339 CG LYS A 86 11.565 33.203 18.965 1.00 0.00 C ATOM 1340 CD LYS A 86 11.370 34.522 18.220 1.00 0.00 C ATOM 1341 CE LYS A 86 12.573 35.438 18.454 1.00 0.00 C ATOM 1342 NZ LYS A 86 13.806 34.877 17.866 1.00 0.00 N ATOM 0 H LYS A 86 12.059 29.890 18.266 1.00 0.00 H new ATOM 0 HA LYS A 86 10.448 31.075 20.437 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.413 32.042 17.555 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.473 32.673 18.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.590 33.385 20.039 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.525 32.764 18.694 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.249 34.332 17.153 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.458 35.011 18.562 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.375 36.418 18.019 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.715 35.587 19.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.578 35.568 17.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.064 34.004 18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.645 34.663 16.861 1.00 0.00 H new TER 1356 LYS A 86