USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 683 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.17) USER MOD Single : A 5 MET CE :methyl 145:sc= -0.206 (180deg=-1.61!) USER MOD Single : A 6 SER OG : rot 1:sc= 0.592 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.121 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -31:sc= 0.116 USER MOD Single : A 20 GLN : amide:sc= -7.68! C(o=-7.7!,f=-10!) USER MOD Single : A 21 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.5!) USER MOD Single : A 26 SER OG : rot 16:sc= 2.04 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 34 CYS SG : rot -156:sc= -0.485 USER MOD Single : A 36 GLN : amide:sc= 0.0178 X(o=0.018,f=-0.2) USER MOD Single : A 38 HIS : no HE2:sc= -5.15 K(o=-5.2,f=-5.9!) USER MOD Single : A 39 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -124:sc= -0.738 (180deg=-3.08!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -66:sc= 0.104 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 64 MET CE :methyl -157:sc= -0.209 (180deg=-0.632) USER MOD Single : A 65 GLN : amide:sc= -6.55! C(o=-6.5!,f=-5.8!) USER MOD Single : A 71 ASN : amide:sc= -0.364 K(o=-0.36,f=-2.3!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.806 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.073) USER MOD Single : A 83 THR OG1 : rot -35:sc= 0.564 USER MOD Single : A 85 GLN : amide:sc= -2.76 K(o=-2.8,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.965 -1.867 6.694 1.00 0.00 N ATOM 2 CA GLY A 1 -21.454 -3.225 6.452 1.00 0.00 C ATOM 3 C GLY A 1 -21.249 -3.623 5.003 1.00 0.00 C ATOM 4 O GLY A 1 -21.981 -3.128 4.150 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.116 -1.616 7.692 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.950 -1.819 6.475 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.482 -1.199 6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.931 -3.926 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.513 -3.285 6.704 1.00 0.00 H new ATOM 8 N HIS A 2 -20.321 -4.555 4.718 1.00 0.00 N ATOM 9 CA HIS A 2 -19.927 -4.979 3.372 1.00 0.00 C ATOM 10 C HIS A 2 -19.271 -3.810 2.625 1.00 0.00 C ATOM 11 O HIS A 2 -19.962 -2.956 2.071 1.00 0.00 O ATOM 12 CB HIS A 2 -21.112 -5.568 2.593 1.00 0.00 C ATOM 13 CG HIS A 2 -20.867 -6.943 2.052 1.00 0.00 C ATOM 14 ND1 HIS A 2 -21.573 -8.066 2.443 1.00 0.00 N ATOM 15 CD2 HIS A 2 -20.122 -7.244 0.935 1.00 0.00 C ATOM 16 CE1 HIS A 2 -21.198 -9.054 1.608 1.00 0.00 C ATOM 17 NE2 HIS A 2 -20.323 -8.579 0.686 1.00 0.00 N ATOM 0 H HIS A 2 -19.809 -5.048 5.449 1.00 0.00 H new ATOM 0 HA HIS A 2 -19.192 -5.779 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -21.984 -5.597 3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -21.356 -4.902 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -19.503 -6.565 0.367 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -21.543 -10.076 1.664 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -19.890 -9.120 -0.062 1.00 0.00 H new ATOM 26 N SER A 3 -17.934 -3.790 2.603 1.00 0.00 N ATOM 27 CA SER A 3 -17.128 -2.675 2.109 1.00 0.00 C ATOM 28 C SER A 3 -17.300 -1.435 3.010 1.00 0.00 C ATOM 29 O SER A 3 -18.312 -1.289 3.699 1.00 0.00 O ATOM 30 CB SER A 3 -17.378 -2.471 0.604 1.00 0.00 C ATOM 31 OG SER A 3 -16.469 -3.279 -0.126 1.00 0.00 O ATOM 0 H SER A 3 -17.370 -4.571 2.938 1.00 0.00 H new ATOM 0 HA SER A 3 -16.064 -2.899 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.405 -2.737 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.247 -1.422 0.339 1.00 0.00 H new ATOM 0 HG SER A 3 -16.622 -3.157 -1.086 1.00 0.00 H new ATOM 37 N LYS A 4 -16.264 -0.590 3.129 1.00 0.00 N ATOM 38 CA LYS A 4 -16.273 0.551 4.087 1.00 0.00 C ATOM 39 C LYS A 4 -15.973 1.895 3.445 1.00 0.00 C ATOM 40 O LYS A 4 -16.165 2.946 4.050 1.00 0.00 O ATOM 41 CB LYS A 4 -15.295 0.353 5.256 1.00 0.00 C ATOM 42 CG LYS A 4 -13.873 0.013 4.774 1.00 0.00 C ATOM 43 CD LYS A 4 -12.771 0.442 5.742 1.00 0.00 C ATOM 44 CE LYS A 4 -12.614 1.966 5.704 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.375 2.462 7.063 1.00 0.00 N ATOM 0 H LYS A 4 -15.408 -0.666 2.580 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.297 0.563 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.265 1.260 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.659 -0.447 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.802 -1.063 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.703 0.492 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.015 0.117 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.830 -0.037 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.785 2.242 5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.511 2.425 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.956 3.413 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.276 2.505 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.723 1.820 7.557 1.00 0.00 H new ATOM 59 N MET A 5 -15.457 1.841 2.232 1.00 0.00 N ATOM 60 CA MET A 5 -15.186 2.955 1.354 1.00 0.00 C ATOM 61 C MET A 5 -16.238 2.981 0.224 1.00 0.00 C ATOM 62 O MET A 5 -16.021 3.558 -0.837 1.00 0.00 O ATOM 63 CB MET A 5 -13.733 2.836 0.857 1.00 0.00 C ATOM 64 CG MET A 5 -13.142 4.246 0.653 1.00 0.00 C ATOM 65 SD MET A 5 -14.241 5.656 0.266 1.00 0.00 S ATOM 66 CE MET A 5 -13.433 6.304 -1.208 1.00 0.00 C ATOM 0 H MET A 5 -15.199 0.951 1.807 1.00 0.00 H new ATOM 0 HA MET A 5 -15.272 3.912 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.135 2.280 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.702 2.278 -0.079 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.595 4.502 1.561 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.410 4.176 -0.151 1.00 0.00 H new ATOM 0 HE1 MET A 5 -14.186 6.687 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.755 7.109 -0.927 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.869 5.508 -1.694 1.00 0.00 H new ATOM 76 N SER A 6 -17.386 2.326 0.429 1.00 0.00 N ATOM 77 CA SER A 6 -18.402 2.029 -0.583 1.00 0.00 C ATOM 78 C SER A 6 -17.799 1.432 -1.888 1.00 0.00 C ATOM 79 O SER A 6 -16.689 0.891 -1.881 1.00 0.00 O ATOM 80 CB SER A 6 -19.310 3.250 -0.789 1.00 0.00 C ATOM 81 OG SER A 6 -18.577 4.393 -1.174 1.00 0.00 O ATOM 0 H SER A 6 -17.643 1.972 1.350 1.00 0.00 H new ATOM 0 HA SER A 6 -19.042 1.227 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.056 3.023 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.851 3.460 0.134 1.00 0.00 H new ATOM 0 HG SER A 6 -17.627 4.164 -1.245 1.00 0.00 H new ATOM 87 N ASP A 7 -18.519 1.465 -3.011 1.00 0.00 N ATOM 88 CA ASP A 7 -18.103 1.154 -4.381 1.00 0.00 C ATOM 89 C ASP A 7 -17.638 2.452 -5.023 1.00 0.00 C ATOM 90 O ASP A 7 -18.283 3.497 -4.942 1.00 0.00 O ATOM 91 CB ASP A 7 -19.255 0.501 -5.176 1.00 0.00 C ATOM 92 CG ASP A 7 -20.562 1.297 -5.122 1.00 0.00 C ATOM 93 OD1 ASP A 7 -21.119 1.380 -4.002 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.012 1.762 -6.195 1.00 0.00 O ATOM 0 H ASP A 7 -19.502 1.736 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.288 0.430 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.950 0.389 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.433 -0.501 -4.786 1.00 0.00 H new ATOM 99 N VAL A 8 -16.454 2.374 -5.621 1.00 0.00 N ATOM 100 CA VAL A 8 -15.701 3.498 -6.162 1.00 0.00 C ATOM 101 C VAL A 8 -15.101 3.117 -7.512 1.00 0.00 C ATOM 102 O VAL A 8 -14.441 3.946 -8.128 1.00 0.00 O ATOM 103 CB VAL A 8 -14.588 3.970 -5.194 1.00 0.00 C ATOM 104 CG1 VAL A 8 -14.104 5.401 -5.518 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.054 3.919 -3.737 1.00 0.00 C ATOM 0 H VAL A 8 -15.972 1.484 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.393 4.330 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.755 3.280 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.324 5.689 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.706 5.429 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.941 6.095 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.248 4.257 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.920 4.568 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.326 2.896 -3.478 1.00 0.00 H new ATOM 115 N LYS A 9 -15.339 1.882 -7.993 1.00 0.00 N ATOM 116 CA LYS A 9 -14.958 1.417 -9.342 1.00 0.00 C ATOM 117 C LYS A 9 -13.465 1.103 -9.313 1.00 0.00 C ATOM 118 O LYS A 9 -13.103 -0.074 -9.390 1.00 0.00 O ATOM 119 CB LYS A 9 -15.568 2.344 -10.397 1.00 0.00 C ATOM 120 CG LYS A 9 -17.114 2.187 -10.258 1.00 0.00 C ATOM 121 CD LYS A 9 -17.696 0.874 -10.990 1.00 0.00 C ATOM 122 CE LYS A 9 -17.597 1.111 -12.531 1.00 0.00 C ATOM 123 NZ LYS A 9 -18.861 1.535 -13.136 1.00 0.00 N ATOM 0 H LYS A 9 -15.811 1.164 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.386 0.468 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.264 3.378 -10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.235 2.069 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.374 2.148 -9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.600 3.070 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.127 -0.010 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.730 0.698 -10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.837 1.868 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.263 0.192 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.727 1.675 -14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.584 0.804 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.171 2.428 -12.702 1.00 0.00 H new ATOM 137 N CYS A 10 -12.615 2.082 -9.011 1.00 0.00 N ATOM 138 CA CYS A 10 -11.239 1.858 -8.620 1.00 0.00 C ATOM 139 C CYS A 10 -11.071 1.662 -7.107 1.00 0.00 C ATOM 140 O CYS A 10 -10.703 2.604 -6.409 1.00 0.00 O ATOM 141 CB CYS A 10 -10.381 3.029 -9.091 1.00 0.00 C ATOM 142 SG CYS A 10 -10.322 3.062 -10.899 1.00 0.00 S ATOM 0 H CYS A 10 -12.875 3.068 -9.034 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.914 0.932 -9.095 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.791 3.966 -8.715 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.373 2.938 -8.687 1.00 0.00 H new ATOM 0 HG CYS A 10 -9.591 4.063 -11.291 1.00 0.00 H new ATOM 148 N THR A 11 -11.255 0.437 -6.611 1.00 0.00 N ATOM 149 CA THR A 11 -11.109 0.120 -5.191 1.00 0.00 C ATOM 150 C THR A 11 -9.813 -0.685 -4.971 1.00 0.00 C ATOM 151 O THR A 11 -8.813 -0.127 -4.488 1.00 0.00 O ATOM 152 CB THR A 11 -12.391 -0.538 -4.621 1.00 0.00 C ATOM 153 OG1 THR A 11 -13.542 -0.389 -5.451 1.00 0.00 O ATOM 154 CG2 THR A 11 -12.699 0.135 -3.274 1.00 0.00 C ATOM 0 H THR A 11 -11.511 -0.366 -7.186 1.00 0.00 H new ATOM 0 HA THR A 11 -11.000 1.037 -4.612 1.00 0.00 H new ATOM 0 HB THR A 11 -12.192 -1.607 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.309 -0.829 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.598 -0.306 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.861 -0.013 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.856 1.202 -3.428 1.00 0.00 H new ATOM 162 N SER A 12 -9.742 -1.958 -5.392 1.00 0.00 N ATOM 163 CA SER A 12 -8.523 -2.739 -5.222 1.00 0.00 C ATOM 164 C SER A 12 -7.669 -2.684 -6.497 1.00 0.00 C ATOM 165 O SER A 12 -6.852 -3.564 -6.730 1.00 0.00 O ATOM 166 CB SER A 12 -8.889 -4.181 -4.800 1.00 0.00 C ATOM 167 OG SER A 12 -9.951 -4.769 -5.525 1.00 0.00 O ATOM 0 H SER A 12 -10.508 -2.456 -5.846 1.00 0.00 H new ATOM 0 HA SER A 12 -7.913 -2.313 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.005 -4.809 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.151 -4.178 -3.742 1.00 0.00 H new ATOM 0 HG SER A 12 -10.111 -5.677 -5.193 1.00 0.00 H new ATOM 173 N VAL A 13 -7.653 -1.537 -7.184 1.00 0.00 N ATOM 174 CA VAL A 13 -6.982 -1.384 -8.481 1.00 0.00 C ATOM 175 C VAL A 13 -5.890 -0.323 -8.381 1.00 0.00 C ATOM 176 O VAL A 13 -4.794 -0.523 -8.901 1.00 0.00 O ATOM 177 CB VAL A 13 -7.980 -1.100 -9.618 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.115 -2.143 -9.694 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.501 0.343 -9.645 1.00 0.00 C ATOM 0 H VAL A 13 -8.107 -0.685 -6.855 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.506 -2.331 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.399 -1.209 -10.534 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.787 -1.890 -10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.690 -3.132 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.671 -2.144 -8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.198 0.463 -10.474 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.011 0.563 -8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.664 1.030 -9.773 1.00 0.00 H new ATOM 189 N VAL A 14 -6.182 0.745 -7.626 1.00 0.00 N ATOM 190 CA VAL A 14 -5.318 1.889 -7.372 1.00 0.00 C ATOM 191 C VAL A 14 -3.931 1.394 -7.002 1.00 0.00 C ATOM 192 O VAL A 14 -3.015 1.435 -7.815 1.00 0.00 O ATOM 193 CB VAL A 14 -5.934 2.906 -6.394 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.917 3.819 -7.136 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.685 2.184 -5.291 1.00 0.00 C ATOM 0 H VAL A 14 -7.081 0.831 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.214 2.474 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.127 3.499 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.348 4.535 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.390 4.355 -7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.713 3.217 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.116 2.914 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.482 1.582 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.998 1.537 -4.746 1.00 0.00 H new ATOM 205 N LEU A 15 -3.818 0.813 -5.807 1.00 0.00 N ATOM 206 CA LEU A 15 -2.585 0.257 -5.292 1.00 0.00 C ATOM 207 C LEU A 15 -2.004 -0.811 -6.219 1.00 0.00 C ATOM 208 O LEU A 15 -0.780 -0.900 -6.321 1.00 0.00 O ATOM 209 CB LEU A 15 -2.775 -0.240 -3.854 1.00 0.00 C ATOM 210 CG LEU A 15 -1.441 -0.425 -3.116 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.645 0.866 -2.869 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.600 -1.227 -1.814 1.00 0.00 C ATOM 0 H LEU A 15 -4.603 0.718 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.842 1.054 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.394 0.470 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.313 -1.188 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.839 -1.007 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.279 0.628 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.408 1.336 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.241 1.551 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.629 -1.330 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.285 -0.705 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.999 -2.215 -2.042 1.00 0.00 H new ATOM 224 N LEU A 16 -2.857 -1.580 -6.912 1.00 0.00 N ATOM 225 CA LEU A 16 -2.490 -2.671 -7.820 1.00 0.00 C ATOM 226 C LEU A 16 -1.550 -2.197 -8.933 1.00 0.00 C ATOM 227 O LEU A 16 -0.722 -2.953 -9.441 1.00 0.00 O ATOM 228 CB LEU A 16 -3.761 -3.341 -8.367 1.00 0.00 C ATOM 229 CG LEU A 16 -3.930 -4.845 -8.089 1.00 0.00 C ATOM 230 CD1 LEU A 16 -2.831 -5.661 -8.756 1.00 0.00 C ATOM 231 CD2 LEU A 16 -4.018 -5.179 -6.591 1.00 0.00 C ATOM 0 H LEU A 16 -3.867 -1.450 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.929 -3.419 -7.260 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.624 -2.820 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.786 -3.191 -9.446 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.888 -5.122 -8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.981 -6.719 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.864 -5.503 -9.834 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.860 -5.346 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.136 -6.255 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.106 -4.853 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.874 -4.666 -6.154 1.00 0.00 H new ATOM 243 N SER A 17 -1.667 -0.909 -9.225 1.00 0.00 N ATOM 244 CA SER A 17 -1.047 -0.115 -10.262 1.00 0.00 C ATOM 245 C SER A 17 -0.022 0.870 -9.667 1.00 0.00 C ATOM 246 O SER A 17 0.466 1.757 -10.357 1.00 0.00 O ATOM 247 CB SER A 17 -2.204 0.458 -11.072 1.00 0.00 C ATOM 248 OG SER A 17 -1.835 1.214 -12.202 1.00 0.00 O ATOM 0 H SER A 17 -2.283 -0.325 -8.660 1.00 0.00 H new ATOM 0 HA SER A 17 -0.417 -0.677 -10.951 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.839 -0.365 -11.398 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.808 1.086 -10.417 1.00 0.00 H new ATOM 0 HG SER A 17 -0.979 1.660 -12.032 1.00 0.00 H new ATOM 254 N VAL A 18 0.215 0.821 -8.354 1.00 0.00 N ATOM 255 CA VAL A 18 1.149 1.694 -7.636 1.00 0.00 C ATOM 256 C VAL A 18 2.413 0.909 -7.264 1.00 0.00 C ATOM 257 O VAL A 18 3.418 0.953 -7.970 1.00 0.00 O ATOM 258 CB VAL A 18 0.417 2.268 -6.413 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.266 3.109 -5.457 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.763 3.139 -6.818 1.00 0.00 C ATOM 0 H VAL A 18 -0.252 0.152 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 18 1.477 2.526 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 18 0.109 1.365 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.645 3.461 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.081 2.501 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.677 3.965 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.254 3.525 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.409 3.971 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.473 2.545 -7.394 1.00 0.00 H new ATOM 270 N LEU A 19 2.405 0.211 -6.121 1.00 0.00 N ATOM 271 CA LEU A 19 3.628 -0.438 -5.649 1.00 0.00 C ATOM 272 C LEU A 19 3.733 -1.767 -6.366 1.00 0.00 C ATOM 273 O LEU A 19 4.625 -2.025 -7.164 1.00 0.00 O ATOM 274 CB LEU A 19 3.669 -0.624 -4.124 1.00 0.00 C ATOM 275 CG LEU A 19 3.747 0.732 -3.408 1.00 0.00 C ATOM 276 CD1 LEU A 19 2.878 0.679 -2.161 1.00 0.00 C ATOM 277 CD2 LEU A 19 5.152 1.171 -2.997 1.00 0.00 C ATOM 0 H LEU A 19 1.589 0.085 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 19 4.481 0.202 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.780 -1.163 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.530 -1.234 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 19 3.401 1.468 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.925 1.637 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.846 0.470 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.239 -0.109 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.100 2.140 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.578 0.435 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.782 1.252 -3.883 1.00 0.00 H new ATOM 289 N GLN A 20 2.743 -2.613 -6.134 1.00 0.00 N ATOM 290 CA GLN A 20 2.689 -3.942 -6.716 1.00 0.00 C ATOM 291 C GLN A 20 2.602 -4.005 -8.249 1.00 0.00 C ATOM 292 O GLN A 20 2.659 -5.061 -8.862 1.00 0.00 O ATOM 293 CB GLN A 20 1.524 -4.657 -6.066 1.00 0.00 C ATOM 294 CG GLN A 20 0.174 -3.963 -6.231 1.00 0.00 C ATOM 295 CD GLN A 20 -0.540 -3.506 -4.945 1.00 0.00 C ATOM 296 OE1 GLN A 20 -1.741 -3.322 -4.879 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.136 -3.263 -3.846 1.00 0.00 N ATOM 0 H GLN A 20 1.949 -2.394 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 20 3.643 -4.428 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.454 -5.661 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.732 -4.768 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.318 -3.090 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.492 -4.640 -6.766 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.147 -3.396 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.350 -2.941 -3.009 1.00 0.00 H new ATOM 306 N GLN A 21 2.499 -2.846 -8.863 1.00 0.00 N ATOM 307 CA GLN A 21 2.569 -2.606 -10.304 1.00 0.00 C ATOM 308 C GLN A 21 3.739 -3.290 -11.015 1.00 0.00 C ATOM 309 O GLN A 21 3.657 -3.545 -12.216 1.00 0.00 O ATOM 310 CB GLN A 21 2.727 -1.098 -10.490 1.00 0.00 C ATOM 311 CG GLN A 21 2.367 -0.595 -11.904 1.00 0.00 C ATOM 312 CD GLN A 21 3.429 0.284 -12.563 1.00 0.00 C ATOM 313 OE1 GLN A 21 4.348 0.781 -11.917 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.342 0.488 -13.863 1.00 0.00 N ATOM 0 H GLN A 21 2.354 -1.982 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 21 1.663 -3.022 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.097 -0.585 -9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.758 -0.822 -10.270 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.181 -1.457 -12.544 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.435 -0.033 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.577 0.073 -14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.040 1.061 -14.337 1.00 0.00 H new ATOM 323 N LEU A 22 4.826 -3.537 -10.284 1.00 0.00 N ATOM 324 CA LEU A 22 6.015 -4.213 -10.740 1.00 0.00 C ATOM 325 C LEU A 22 6.837 -4.661 -9.508 1.00 0.00 C ATOM 326 O LEU A 22 7.488 -5.699 -9.551 1.00 0.00 O ATOM 327 CB LEU A 22 6.751 -3.236 -11.761 1.00 0.00 C ATOM 328 CG LEU A 22 8.376 -2.942 -11.548 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.399 -3.130 -12.800 1.00 0.00 C ATOM 330 CD2 LEU A 22 8.380 -1.682 -10.721 1.00 0.00 C ATOM 0 H LEU A 22 4.892 -3.251 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 22 5.819 -5.134 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.616 -3.642 -12.764 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.234 -2.277 -11.733 1.00 0.00 H new ATOM 0 HG LEU A 22 8.889 -3.752 -11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.414 -2.896 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.358 -4.161 -13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.111 -2.459 -13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.408 -1.386 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.876 -0.886 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.858 -1.862 -9.781 1.00 0.00 H new ATOM 342 N ARG A 23 6.738 -3.931 -8.381 1.00 0.00 N ATOM 343 CA ARG A 23 7.529 -4.151 -7.137 1.00 0.00 C ATOM 344 C ARG A 23 7.334 -5.520 -6.563 1.00 0.00 C ATOM 345 O ARG A 23 8.287 -6.209 -6.214 1.00 0.00 O ATOM 346 CB ARG A 23 7.343 -3.092 -6.026 1.00 0.00 C ATOM 347 CG ARG A 23 7.947 -1.713 -6.353 1.00 0.00 C ATOM 348 CD ARG A 23 6.942 -0.561 -6.193 1.00 0.00 C ATOM 349 NE ARG A 23 7.510 0.785 -5.966 1.00 0.00 N ATOM 350 CZ ARG A 23 7.891 1.663 -6.905 1.00 0.00 C ATOM 351 NH1 ARG A 23 7.995 1.279 -8.174 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.175 2.921 -6.574 1.00 0.00 N ATOM 0 H ARG A 23 6.090 -3.148 -8.300 1.00 0.00 H new ATOM 0 HA ARG A 23 8.555 -4.044 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.277 -2.971 -5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.795 -3.464 -5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.802 -1.534 -5.702 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.322 -1.721 -7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.322 -0.523 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.282 -0.798 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 23 7.624 1.076 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.785 0.315 -8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.285 1.948 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.103 3.221 -5.602 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.464 3.585 -7.293 1.00 0.00 H new ATOM 366 N VAL A 24 6.070 -5.854 -6.466 1.00 0.00 N ATOM 367 CA VAL A 24 5.591 -7.141 -6.044 1.00 0.00 C ATOM 368 C VAL A 24 5.220 -7.853 -7.340 1.00 0.00 C ATOM 369 O VAL A 24 4.473 -7.299 -8.141 1.00 0.00 O ATOM 370 CB VAL A 24 4.436 -6.893 -5.060 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.621 -8.156 -4.783 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.970 -6.302 -3.757 1.00 0.00 C ATOM 0 H VAL A 24 5.316 -5.204 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 24 6.298 -7.772 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 24 3.760 -6.178 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.819 -7.925 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.194 -8.525 -5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.269 -8.920 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.142 -6.131 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.679 -6.996 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.470 -5.356 -3.965 1.00 0.00 H new ATOM 382 N GLU A 25 5.761 -9.053 -7.542 1.00 0.00 N ATOM 383 CA GLU A 25 5.529 -9.894 -8.719 1.00 0.00 C ATOM 384 C GLU A 25 4.039 -10.173 -8.948 1.00 0.00 C ATOM 385 O GLU A 25 3.608 -10.291 -10.094 1.00 0.00 O ATOM 386 CB GLU A 25 6.348 -11.181 -8.611 1.00 0.00 C ATOM 387 CG GLU A 25 7.752 -10.954 -9.195 1.00 0.00 C ATOM 388 CD GLU A 25 8.668 -12.185 -9.157 1.00 0.00 C ATOM 389 OE1 GLU A 25 8.255 -13.219 -9.729 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.818 -12.107 -8.652 1.00 0.00 O ATOM 0 H GLU A 25 6.395 -9.483 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 25 5.867 -9.348 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.423 -11.489 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.847 -11.988 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.652 -10.624 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.232 -10.143 -8.647 1.00 0.00 H new ATOM 397 N SER A 26 3.269 -10.207 -7.850 1.00 0.00 N ATOM 398 CA SER A 26 1.810 -10.184 -7.778 1.00 0.00 C ATOM 399 C SER A 26 1.261 -11.615 -7.769 1.00 0.00 C ATOM 400 O SER A 26 0.418 -11.975 -8.596 1.00 0.00 O ATOM 401 CB SER A 26 1.223 -9.295 -8.896 1.00 0.00 C ATOM 402 OG SER A 26 -0.094 -8.868 -8.619 1.00 0.00 O ATOM 0 H SER A 26 3.688 -10.255 -6.921 1.00 0.00 H new ATOM 0 HA SER A 26 1.492 -9.728 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.862 -8.423 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.231 -9.847 -9.836 1.00 0.00 H new ATOM 0 HG SER A 26 -0.292 -9.011 -7.670 1.00 0.00 H new ATOM 408 N SER A 27 1.709 -12.436 -6.809 1.00 0.00 N ATOM 409 CA SER A 27 1.296 -13.839 -6.676 1.00 0.00 C ATOM 410 C SER A 27 0.886 -14.139 -5.251 1.00 0.00 C ATOM 411 O SER A 27 1.154 -13.322 -4.371 1.00 0.00 O ATOM 412 CB SER A 27 2.442 -14.764 -7.093 1.00 0.00 C ATOM 413 OG SER A 27 2.011 -16.079 -7.396 1.00 0.00 O ATOM 0 H SER A 27 2.376 -12.141 -6.096 1.00 0.00 H new ATOM 0 HA SER A 27 0.440 -14.011 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.943 -14.342 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.179 -14.805 -6.291 1.00 0.00 H new ATOM 0 HG SER A 27 2.782 -16.624 -7.657 1.00 0.00 H new ATOM 419 N SER A 28 0.295 -15.321 -5.031 1.00 0.00 N ATOM 420 CA SER A 28 -0.211 -15.795 -3.749 1.00 0.00 C ATOM 421 C SER A 28 -1.002 -14.721 -2.990 1.00 0.00 C ATOM 422 O SER A 28 -1.495 -13.750 -3.578 1.00 0.00 O ATOM 423 CB SER A 28 0.933 -16.465 -2.961 1.00 0.00 C ATOM 424 OG SER A 28 0.925 -17.845 -3.274 1.00 0.00 O ATOM 0 H SER A 28 0.153 -15.999 -5.780 1.00 0.00 H new ATOM 0 HA SER A 28 -0.962 -16.568 -3.914 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.892 -16.019 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.797 -16.316 -1.890 1.00 0.00 H new ATOM 0 HG SER A 28 1.646 -18.295 -2.786 1.00 0.00 H new ATOM 430 N LYS A 29 -1.265 -14.982 -1.708 1.00 0.00 N ATOM 431 CA LYS A 29 -2.008 -14.071 -0.841 1.00 0.00 C ATOM 432 C LYS A 29 -1.120 -13.393 0.195 1.00 0.00 C ATOM 433 O LYS A 29 -1.614 -12.476 0.830 1.00 0.00 O ATOM 434 CB LYS A 29 -3.222 -14.787 -0.224 1.00 0.00 C ATOM 435 CG LYS A 29 -4.254 -13.881 0.488 1.00 0.00 C ATOM 436 CD LYS A 29 -5.707 -14.212 0.100 1.00 0.00 C ATOM 437 CE LYS A 29 -6.719 -13.848 1.193 1.00 0.00 C ATOM 438 NZ LYS A 29 -7.891 -13.117 0.673 1.00 0.00 N ATOM 0 H LYS A 29 -0.965 -15.838 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.390 -13.257 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.734 -15.337 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.859 -15.523 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.138 -13.985 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.046 -12.839 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.963 -13.679 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.785 -15.277 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.056 -14.760 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.225 -13.239 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.539 -12.898 1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.578 -12.232 0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.383 -13.705 -0.030 1.00 0.00 H new ATOM 452 N LEU A 30 0.169 -13.740 0.334 1.00 0.00 N ATOM 453 CA LEU A 30 1.125 -13.036 1.181 1.00 0.00 C ATOM 454 C LEU A 30 1.013 -11.533 0.910 1.00 0.00 C ATOM 455 O LEU A 30 0.694 -10.776 1.821 1.00 0.00 O ATOM 456 CB LEU A 30 2.525 -13.650 0.936 1.00 0.00 C ATOM 457 CG LEU A 30 3.758 -12.983 1.576 1.00 0.00 C ATOM 458 CD1 LEU A 30 5.069 -13.684 1.184 1.00 0.00 C ATOM 459 CD2 LEU A 30 3.919 -11.492 1.318 1.00 0.00 C ATOM 0 H LEU A 30 0.578 -14.537 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 30 0.921 -13.155 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.495 -14.684 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.688 -13.677 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 30 3.557 -13.098 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.909 -13.177 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.039 -14.723 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.190 -13.649 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.819 -11.132 1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.002 -11.315 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.051 -10.960 1.707 1.00 0.00 H new ATOM 471 N TRP A 31 1.261 -11.056 -0.308 1.00 0.00 N ATOM 472 CA TRP A 31 1.209 -9.623 -0.563 1.00 0.00 C ATOM 473 C TRP A 31 -0.223 -9.115 -0.508 1.00 0.00 C ATOM 474 O TRP A 31 -0.510 -8.021 -0.004 1.00 0.00 O ATOM 475 CB TRP A 31 1.871 -9.240 -1.889 1.00 0.00 C ATOM 476 CG TRP A 31 1.119 -8.194 -2.647 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.016 -6.880 -2.362 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.258 -8.423 -3.779 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.151 -6.277 -3.256 1.00 0.00 N ATOM 480 CE2 TRP A 31 -0.321 -7.188 -4.171 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.039 -9.563 -4.538 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -1.138 -7.086 -5.299 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.887 -9.470 -5.644 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.441 -8.240 -6.029 1.00 0.00 C ATOM 0 H TRP A 31 1.495 -11.630 -1.118 1.00 0.00 H new ATOM 0 HA TRP A 31 1.782 -9.140 0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.881 -8.880 -1.692 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.966 -10.131 -2.510 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.531 -6.376 -1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.103 -5.289 -3.239 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.389 -10.517 -4.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.531 -6.127 -5.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.120 -10.359 -6.212 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.098 -8.184 -6.884 1.00 0.00 H new ATOM 495 N ALA A 32 -1.120 -9.921 -1.063 1.00 0.00 N ATOM 496 CA ALA A 32 -2.519 -9.613 -1.147 1.00 0.00 C ATOM 497 C ALA A 32 -3.075 -9.394 0.268 1.00 0.00 C ATOM 498 O ALA A 32 -4.043 -8.660 0.383 1.00 0.00 O ATOM 499 CB ALA A 32 -3.285 -10.667 -1.951 1.00 0.00 C ATOM 0 H ALA A 32 -0.877 -10.823 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.656 -8.685 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.340 -10.398 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.884 -10.715 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.177 -11.640 -1.471 1.00 0.00 H new ATOM 505 N GLN A 33 -2.474 -9.942 1.341 1.00 0.00 N ATOM 506 CA GLN A 33 -2.830 -9.735 2.751 1.00 0.00 C ATOM 507 C GLN A 33 -2.756 -8.254 3.128 1.00 0.00 C ATOM 508 O GLN A 33 -3.527 -7.793 3.968 1.00 0.00 O ATOM 509 CB GLN A 33 -1.956 -10.612 3.685 1.00 0.00 C ATOM 510 CG GLN A 33 -0.763 -9.902 4.350 1.00 0.00 C ATOM 511 CD GLN A 33 0.156 -10.854 5.111 1.00 0.00 C ATOM 512 OE1 GLN A 33 -0.138 -11.255 6.228 1.00 0.00 O ATOM 513 NE2 GLN A 33 1.308 -11.210 4.567 1.00 0.00 N ATOM 0 H GLN A 33 -1.682 -10.577 1.237 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.864 -10.052 2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.593 -11.021 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.577 -11.456 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.185 -9.383 3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.137 -9.142 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.556 -10.877 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.948 -11.817 5.079 1.00 0.00 H new ATOM 522 N CYS A 34 -1.852 -7.500 2.501 1.00 0.00 N ATOM 523 CA CYS A 34 -1.855 -6.052 2.583 1.00 0.00 C ATOM 524 C CYS A 34 -2.777 -5.444 1.553 1.00 0.00 C ATOM 525 O CYS A 34 -3.384 -4.419 1.836 1.00 0.00 O ATOM 526 CB CYS A 34 -0.438 -5.525 2.381 1.00 0.00 C ATOM 527 SG CYS A 34 0.501 -5.784 3.894 1.00 0.00 S ATOM 0 H CYS A 34 -1.102 -7.882 1.925 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.218 -5.768 3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.040 -6.040 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.462 -4.465 2.129 1.00 0.00 H new ATOM 0 HG CYS A 34 1.484 -4.934 3.946 1.00 0.00 H new ATOM 533 N VAL A 35 -2.891 -6.018 0.359 1.00 0.00 N ATOM 534 CA VAL A 35 -3.662 -5.383 -0.692 1.00 0.00 C ATOM 535 C VAL A 35 -5.135 -5.279 -0.322 1.00 0.00 C ATOM 536 O VAL A 35 -5.746 -4.235 -0.536 1.00 0.00 O ATOM 537 CB VAL A 35 -3.416 -6.084 -2.040 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.503 -7.028 -2.584 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.239 -4.992 -3.075 1.00 0.00 C ATOM 0 H VAL A 35 -2.465 -6.908 0.102 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.318 -4.355 -0.807 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.557 -6.729 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.180 -7.442 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.669 -7.839 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.430 -6.473 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.061 -5.442 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.140 -4.380 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.388 -4.367 -2.803 1.00 0.00 H new ATOM 549 N GLN A 36 -5.653 -6.328 0.296 1.00 0.00 N ATOM 550 CA GLN A 36 -6.998 -6.372 0.853 1.00 0.00 C ATOM 551 C GLN A 36 -7.201 -5.194 1.798 1.00 0.00 C ATOM 552 O GLN A 36 -8.208 -4.495 1.736 1.00 0.00 O ATOM 553 CB GLN A 36 -7.267 -7.699 1.584 1.00 0.00 C ATOM 554 CG GLN A 36 -6.247 -8.078 2.673 1.00 0.00 C ATOM 555 CD GLN A 36 -6.763 -9.065 3.702 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.639 -9.881 3.437 1.00 0.00 O ATOM 557 NE2 GLN A 36 -6.196 -9.040 4.892 1.00 0.00 N ATOM 0 H GLN A 36 -5.136 -7.197 0.428 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.709 -6.304 0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.256 -7.648 2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.297 -8.500 0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.363 -8.500 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.928 -7.171 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.469 -8.355 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.485 -9.706 5.609 1.00 0.00 H new ATOM 566 N LEU A 37 -6.200 -4.957 2.647 1.00 0.00 N ATOM 567 CA LEU A 37 -6.270 -3.928 3.655 1.00 0.00 C ATOM 568 C LEU A 37 -6.141 -2.586 2.980 1.00 0.00 C ATOM 569 O LEU A 37 -6.878 -1.692 3.362 1.00 0.00 O ATOM 570 CB LEU A 37 -5.235 -4.156 4.775 1.00 0.00 C ATOM 571 CG LEU A 37 -5.871 -4.484 6.148 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.412 -3.236 6.857 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.972 -5.558 6.082 1.00 0.00 C ATOM 0 H LEU A 37 -5.324 -5.479 2.646 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.236 -3.962 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.573 -4.972 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.617 -3.264 4.874 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.048 -4.894 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.847 -3.522 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.598 -2.531 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.176 -2.768 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.369 -5.734 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.774 -5.217 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.553 -6.485 5.690 1.00 0.00 H new ATOM 585 N HIS A 38 -5.304 -2.405 1.951 1.00 0.00 N ATOM 586 CA HIS A 38 -5.240 -1.111 1.277 1.00 0.00 C ATOM 587 C HIS A 38 -6.628 -0.649 0.830 1.00 0.00 C ATOM 588 O HIS A 38 -6.897 0.546 0.852 1.00 0.00 O ATOM 589 CB HIS A 38 -4.255 -1.088 0.110 1.00 0.00 C ATOM 590 CG HIS A 38 -4.888 -1.096 -1.279 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.055 -2.197 -2.086 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.519 -0.049 -1.899 1.00 0.00 C ATOM 593 CE1 HIS A 38 -5.771 -1.835 -3.161 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.130 -0.540 -3.045 1.00 0.00 N ATOM 0 H HIS A 38 -4.679 -3.119 1.578 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.860 -0.405 2.015 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.630 -0.200 0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.596 -1.952 0.196 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -4.695 -3.133 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.538 0.975 -1.557 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.021 -2.480 -3.990 1.00 0.00 H new ATOM 603 N ASN A 39 -7.470 -1.584 0.372 1.00 0.00 N ATOM 604 CA ASN A 39 -8.815 -1.303 -0.115 1.00 0.00 C ATOM 605 C ASN A 39 -9.681 -0.704 0.993 1.00 0.00 C ATOM 606 O ASN A 39 -10.565 0.112 0.747 1.00 0.00 O ATOM 607 CB ASN A 39 -9.431 -2.614 -0.618 1.00 0.00 C ATOM 608 CG ASN A 39 -10.757 -2.390 -1.324 1.00 0.00 C ATOM 609 OD1 ASN A 39 -10.814 -2.436 -2.542 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.857 -2.162 -0.632 1.00 0.00 N ATOM 0 H ASN A 39 -7.225 -2.573 0.331 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.764 -0.576 -0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.735 -3.102 -1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.579 -3.291 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.745 -2.026 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.820 -2.122 0.387 1.00 0.00 H new ATOM 617 N ASP A 40 -9.416 -1.102 2.228 1.00 0.00 N ATOM 618 CA ASP A 40 -10.086 -0.602 3.418 1.00 0.00 C ATOM 619 C ASP A 40 -9.382 0.648 3.939 1.00 0.00 C ATOM 620 O ASP A 40 -10.063 1.589 4.325 1.00 0.00 O ATOM 621 CB ASP A 40 -10.129 -1.729 4.483 1.00 0.00 C ATOM 622 CG ASP A 40 -11.430 -2.535 4.409 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.004 -2.618 3.293 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.911 -2.965 5.478 1.00 0.00 O ATOM 0 H ASP A 40 -8.706 -1.804 2.436 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.110 -0.314 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.280 -2.397 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.028 -1.293 5.477 1.00 0.00 H new ATOM 629 N ILE A 41 -8.052 0.746 3.878 1.00 0.00 N ATOM 630 CA ILE A 41 -7.291 1.922 4.256 1.00 0.00 C ATOM 631 C ILE A 41 -7.815 3.162 3.550 1.00 0.00 C ATOM 632 O ILE A 41 -7.703 4.226 4.135 1.00 0.00 O ATOM 633 CB ILE A 41 -5.780 1.725 3.984 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.042 1.072 5.171 1.00 0.00 C ATOM 635 CG2 ILE A 41 -5.045 3.061 3.828 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.074 -0.432 5.290 1.00 0.00 C ATOM 0 H ILE A 41 -7.463 -0.020 3.552 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.418 2.067 5.329 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.760 1.111 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.998 1.380 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.456 1.488 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.988 2.875 3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.471 3.615 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.152 3.644 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.512 -0.739 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.107 -0.768 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.626 -0.877 4.402 1.00 0.00 H new ATOM 648 N LEU A 42 -8.380 3.081 2.341 1.00 0.00 N ATOM 649 CA LEU A 42 -8.849 4.287 1.657 1.00 0.00 C ATOM 650 C LEU A 42 -9.764 5.155 2.499 1.00 0.00 C ATOM 651 O LEU A 42 -9.776 6.368 2.306 1.00 0.00 O ATOM 652 CB LEU A 42 -9.639 3.938 0.407 1.00 0.00 C ATOM 653 CG LEU A 42 -8.839 3.545 -0.834 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.319 3.708 -0.812 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.132 2.109 -1.229 1.00 0.00 C ATOM 0 H LEU A 42 -8.521 2.212 1.826 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.935 4.835 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.312 3.116 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.262 4.795 0.151 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.191 4.284 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.905 3.385 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.068 4.755 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.899 3.100 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.552 1.850 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.860 1.444 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.195 2.001 -1.447 1.00 0.00 H new ATOM 667 N LEU A 43 -10.500 4.551 3.432 1.00 0.00 N ATOM 668 CA LEU A 43 -11.267 5.291 4.411 1.00 0.00 C ATOM 669 C LEU A 43 -10.635 5.216 5.799 1.00 0.00 C ATOM 670 O LEU A 43 -11.316 4.884 6.773 1.00 0.00 O ATOM 671 CB LEU A 43 -12.769 4.945 4.305 1.00 0.00 C ATOM 672 CG LEU A 43 -13.690 6.144 3.998 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.166 6.821 5.295 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.087 7.130 2.988 1.00 0.00 C ATOM 0 H LEU A 43 -10.576 3.538 3.523 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.229 6.357 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.900 4.195 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.089 4.490 5.242 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.574 5.747 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.813 7.663 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.719 6.102 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.303 7.179 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.786 7.949 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.151 7.527 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.895 6.615 2.047 1.00 0.00 H new ATOM 686 N ALA A 44 -9.330 5.484 5.917 1.00 0.00 N ATOM 687 CA ALA A 44 -8.654 5.339 7.211 1.00 0.00 C ATOM 688 C ALA A 44 -8.757 6.622 8.024 1.00 0.00 C ATOM 689 O ALA A 44 -9.073 6.581 9.215 1.00 0.00 O ATOM 690 CB ALA A 44 -7.195 4.964 7.019 1.00 0.00 C ATOM 0 H ALA A 44 -8.732 5.795 5.152 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.152 4.538 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.714 4.862 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.130 4.018 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.692 5.742 6.446 1.00 0.00 H new ATOM 696 N LYS A 45 -8.519 7.768 7.386 1.00 0.00 N ATOM 697 CA LYS A 45 -8.693 9.071 8.018 1.00 0.00 C ATOM 698 C LYS A 45 -9.145 10.128 7.029 1.00 0.00 C ATOM 699 O LYS A 45 -10.253 10.645 7.145 1.00 0.00 O ATOM 700 CB LYS A 45 -7.394 9.450 8.754 1.00 0.00 C ATOM 701 CG LYS A 45 -7.635 10.569 9.769 1.00 0.00 C ATOM 702 CD LYS A 45 -8.350 10.023 11.002 1.00 0.00 C ATOM 703 CE LYS A 45 -8.918 11.210 11.765 1.00 0.00 C ATOM 704 NZ LYS A 45 -9.820 10.804 12.858 1.00 0.00 N ATOM 0 H LYS A 45 -8.201 7.817 6.418 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.496 9.011 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.994 8.574 9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.643 9.768 8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.684 11.016 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.233 11.359 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.146 9.338 10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.658 9.460 11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.098 11.799 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.459 11.856 11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.179 11.650 13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.619 10.265 12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.300 10.210 13.535 1.00 0.00 H new ATOM 718 N ASP A 46 -8.296 10.384 6.047 1.00 0.00 N ATOM 719 CA ASP A 46 -8.437 11.378 4.993 1.00 0.00 C ATOM 720 C ASP A 46 -7.830 10.762 3.732 1.00 0.00 C ATOM 721 O ASP A 46 -7.001 9.872 3.894 1.00 0.00 O ATOM 722 CB ASP A 46 -7.655 12.623 5.428 1.00 0.00 C ATOM 723 CG ASP A 46 -8.624 13.788 5.472 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.121 14.130 4.378 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.919 14.297 6.582 1.00 0.00 O ATOM 0 H ASP A 46 -7.424 9.863 5.959 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.473 11.660 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.201 12.466 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.843 12.828 4.730 1.00 0.00 H new ATOM 730 N THR A 47 -8.214 11.114 2.497 1.00 0.00 N ATOM 731 CA THR A 47 -7.702 10.418 1.287 1.00 0.00 C ATOM 732 C THR A 47 -6.173 10.539 1.149 1.00 0.00 C ATOM 733 O THR A 47 -5.546 9.697 0.506 1.00 0.00 O ATOM 734 CB THR A 47 -8.393 10.949 0.011 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.785 10.819 0.124 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.036 10.292 -1.328 1.00 0.00 C ATOM 0 H THR A 47 -8.871 11.869 2.300 1.00 0.00 H new ATOM 0 HA THR A 47 -7.941 9.361 1.408 1.00 0.00 H new ATOM 0 HB THR A 47 -8.023 11.973 -0.028 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.212 11.160 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.599 10.770 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.968 10.406 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.286 9.232 -1.291 1.00 0.00 H new ATOM 744 N THR A 48 -5.578 11.568 1.753 1.00 0.00 N ATOM 745 CA THR A 48 -4.147 11.697 1.950 1.00 0.00 C ATOM 746 C THR A 48 -3.748 10.603 2.953 1.00 0.00 C ATOM 747 O THR A 48 -3.428 9.507 2.508 1.00 0.00 O ATOM 748 CB THR A 48 -3.839 13.151 2.350 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.308 13.993 1.305 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.344 13.413 2.513 1.00 0.00 C ATOM 0 H THR A 48 -6.103 12.358 2.129 1.00 0.00 H new ATOM 0 HA THR A 48 -3.542 11.532 1.058 1.00 0.00 H new ATOM 0 HB THR A 48 -4.323 13.346 3.307 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.127 14.929 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.186 14.454 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.943 12.761 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.834 13.211 1.571 1.00 0.00 H new ATOM 758 N GLU A 49 -3.830 10.847 4.268 1.00 0.00 N ATOM 759 CA GLU A 49 -3.372 9.975 5.373 1.00 0.00 C ATOM 760 C GLU A 49 -3.711 8.478 5.212 1.00 0.00 C ATOM 761 O GLU A 49 -2.932 7.613 5.603 1.00 0.00 O ATOM 762 CB GLU A 49 -3.960 10.511 6.696 1.00 0.00 C ATOM 763 CG GLU A 49 -2.894 10.950 7.708 1.00 0.00 C ATOM 764 CD GLU A 49 -3.495 11.776 8.842 1.00 0.00 C ATOM 765 OE1 GLU A 49 -3.787 12.961 8.546 1.00 0.00 O ATOM 766 OE2 GLU A 49 -3.730 11.242 9.957 1.00 0.00 O ATOM 0 H GLU A 49 -4.243 11.712 4.617 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.283 10.015 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.612 11.357 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.581 9.738 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.401 10.070 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.128 11.535 7.199 1.00 0.00 H new ATOM 773 N ALA A 50 -4.869 8.167 4.626 1.00 0.00 N ATOM 774 CA ALA A 50 -5.250 6.843 4.159 1.00 0.00 C ATOM 775 C ALA A 50 -4.274 6.294 3.131 1.00 0.00 C ATOM 776 O ALA A 50 -3.456 5.439 3.464 1.00 0.00 O ATOM 777 CB ALA A 50 -6.650 6.918 3.548 1.00 0.00 C ATOM 0 H ALA A 50 -5.594 8.865 4.459 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.237 6.166 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.946 5.930 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.358 7.261 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.645 7.617 2.711 1.00 0.00 H new ATOM 783 N PHE A 51 -4.421 6.713 1.870 1.00 0.00 N ATOM 784 CA PHE A 51 -3.576 6.230 0.770 1.00 0.00 C ATOM 785 C PHE A 51 -2.100 6.339 1.141 1.00 0.00 C ATOM 786 O PHE A 51 -1.322 5.456 0.774 1.00 0.00 O ATOM 787 CB PHE A 51 -3.868 6.888 -0.591 1.00 0.00 C ATOM 788 CG PHE A 51 -2.599 7.432 -1.284 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.877 6.584 -2.151 1.00 0.00 C ATOM 790 CD2 PHE A 51 -1.969 8.617 -0.847 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.568 6.896 -2.571 1.00 0.00 C ATOM 792 CE2 PHE A 51 -0.628 8.885 -1.202 1.00 0.00 C ATOM 793 CZ PHE A 51 0.071 8.041 -2.079 1.00 0.00 C ATOM 0 H PHE A 51 -5.125 7.393 1.583 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.833 5.180 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.348 6.160 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.576 7.705 -0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.339 5.673 -2.502 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.515 9.323 -0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.058 6.252 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.133 9.753 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.085 8.271 -2.370 1.00 0.00 H new ATOM 803 N GLU A 52 -1.724 7.393 1.868 1.00 0.00 N ATOM 804 CA GLU A 52 -0.389 7.578 2.377 1.00 0.00 C ATOM 805 C GLU A 52 0.052 6.269 3.058 1.00 0.00 C ATOM 806 O GLU A 52 0.967 5.597 2.555 1.00 0.00 O ATOM 807 CB GLU A 52 -0.304 8.861 3.234 1.00 0.00 C ATOM 808 CG GLU A 52 -0.250 10.163 2.389 1.00 0.00 C ATOM 809 CD GLU A 52 0.894 11.141 2.718 1.00 0.00 C ATOM 810 OE1 GLU A 52 2.022 10.879 2.233 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.645 12.243 3.262 1.00 0.00 O ATOM 0 H GLU A 52 -2.361 8.149 2.117 1.00 0.00 H new ATOM 0 HA GLU A 52 0.334 7.761 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.167 8.903 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.583 8.809 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.172 9.886 1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.197 10.690 2.511 1.00 0.00 H new ATOM 818 N LYS A 53 -0.703 5.817 4.063 1.00 0.00 N ATOM 819 CA LYS A 53 -0.399 4.598 4.808 1.00 0.00 C ATOM 820 C LYS A 53 -0.678 3.328 3.991 1.00 0.00 C ATOM 821 O LYS A 53 -0.110 2.271 4.264 1.00 0.00 O ATOM 822 CB LYS A 53 -1.235 4.619 6.094 1.00 0.00 C ATOM 823 CG LYS A 53 -0.542 3.891 7.252 1.00 0.00 C ATOM 824 CD LYS A 53 -1.597 3.360 8.223 1.00 0.00 C ATOM 825 CE LYS A 53 -1.006 2.950 9.571 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.352 3.929 10.619 1.00 0.00 N ATOM 0 H LYS A 53 -1.547 6.292 4.383 1.00 0.00 H new ATOM 0 HA LYS A 53 0.666 4.574 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.429 5.652 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.202 4.155 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.062 3.069 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.135 4.570 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.356 4.126 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.098 2.502 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.379 1.965 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.078 2.869 9.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.939 3.628 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.975 4.863 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.386 3.987 10.712 1.00 0.00 H new ATOM 840 N MET A 54 -1.553 3.387 2.979 1.00 0.00 N ATOM 841 CA MET A 54 -1.907 2.243 2.117 1.00 0.00 C ATOM 842 C MET A 54 -0.708 1.770 1.307 1.00 0.00 C ATOM 843 O MET A 54 -0.663 0.634 0.834 1.00 0.00 O ATOM 844 CB MET A 54 -3.093 2.541 1.184 1.00 0.00 C ATOM 845 CG MET A 54 -2.804 2.737 -0.313 1.00 0.00 C ATOM 846 SD MET A 54 -4.237 3.225 -1.286 1.00 0.00 S ATOM 847 CE MET A 54 -3.596 3.261 -2.975 1.00 0.00 C ATOM 0 H MET A 54 -2.046 4.244 2.729 1.00 0.00 H new ATOM 0 HA MET A 54 -2.218 1.444 2.790 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.808 1.724 1.282 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.587 3.442 1.549 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.028 3.494 -0.425 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.403 1.808 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.772 4.245 -3.410 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.525 3.056 -2.962 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.103 2.504 -3.573 1.00 0.00 H new ATOM 857 N VAL A 55 0.254 2.655 1.105 1.00 0.00 N ATOM 858 CA VAL A 55 1.530 2.338 0.524 1.00 0.00 C ATOM 859 C VAL A 55 2.434 1.801 1.628 1.00 0.00 C ATOM 860 O VAL A 55 3.147 0.846 1.347 1.00 0.00 O ATOM 861 CB VAL A 55 1.994 3.616 -0.175 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.435 3.644 -0.684 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.043 4.062 -1.312 1.00 0.00 C ATOM 0 H VAL A 55 0.157 3.640 1.351 1.00 0.00 H new ATOM 0 HA VAL A 55 1.520 1.549 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 55 1.960 4.330 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.635 4.605 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.119 3.503 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.580 2.844 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.426 4.974 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.982 3.276 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.050 4.250 -0.903 1.00 0.00 H new ATOM 873 N SER A 56 2.360 2.297 2.872 1.00 0.00 N ATOM 874 CA SER A 56 3.220 1.840 3.954 1.00 0.00 C ATOM 875 C SER A 56 3.132 0.340 4.165 1.00 0.00 C ATOM 876 O SER A 56 4.168 -0.311 4.163 1.00 0.00 O ATOM 877 CB SER A 56 2.924 2.561 5.272 1.00 0.00 C ATOM 878 OG SER A 56 3.864 2.170 6.260 1.00 0.00 O ATOM 0 H SER A 56 1.701 3.025 3.148 1.00 0.00 H new ATOM 0 HA SER A 56 4.236 2.086 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.967 3.640 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.914 2.326 5.606 1.00 0.00 H new ATOM 0 HG SER A 56 3.669 2.636 7.100 1.00 0.00 H new ATOM 884 N LEU A 57 1.925 -0.213 4.327 1.00 0.00 N ATOM 885 CA LEU A 57 1.710 -1.662 4.426 1.00 0.00 C ATOM 886 C LEU A 57 2.550 -2.389 3.382 1.00 0.00 C ATOM 887 O LEU A 57 3.196 -3.383 3.696 1.00 0.00 O ATOM 888 CB LEU A 57 0.254 -2.115 4.175 1.00 0.00 C ATOM 889 CG LEU A 57 -0.690 -1.099 3.522 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.557 -1.805 2.472 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.627 -0.483 4.566 1.00 0.00 C ATOM 0 H LEU A 57 1.066 0.333 4.393 1.00 0.00 H new ATOM 0 HA LEU A 57 1.985 -1.905 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.280 -3.005 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.177 -2.412 5.131 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.083 -0.318 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.228 -1.082 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.916 -2.247 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.144 -2.588 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.289 0.235 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.222 -1.270 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.037 0.024 5.330 1.00 0.00 H new ATOM 903 N LEU A 58 2.475 -1.941 2.127 1.00 0.00 N ATOM 904 CA LEU A 58 3.196 -2.544 1.016 1.00 0.00 C ATOM 905 C LEU A 58 4.703 -2.274 1.113 1.00 0.00 C ATOM 906 O LEU A 58 5.474 -3.185 0.833 1.00 0.00 O ATOM 907 CB LEU A 58 2.628 -2.028 -0.307 1.00 0.00 C ATOM 908 CG LEU A 58 1.740 -2.999 -1.116 1.00 0.00 C ATOM 909 CD1 LEU A 58 2.553 -3.895 -2.036 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.769 -3.913 -0.329 1.00 0.00 C ATOM 0 H LEU A 58 1.904 -1.140 1.856 1.00 0.00 H new ATOM 0 HA LEU A 58 3.061 -3.625 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.046 -1.131 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.463 -1.726 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 58 1.119 -2.290 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.883 -4.559 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.111 -3.280 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.249 -4.489 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.212 -4.539 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.337 -4.546 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.073 -3.298 0.242 1.00 0.00 H new ATOM 922 N SER A 59 5.127 -1.078 1.528 1.00 0.00 N ATOM 923 CA SER A 59 6.513 -0.672 1.794 1.00 0.00 C ATOM 924 C SER A 59 7.193 -1.581 2.825 1.00 0.00 C ATOM 925 O SER A 59 8.406 -1.759 2.767 1.00 0.00 O ATOM 926 CB SER A 59 6.584 0.830 2.169 1.00 0.00 C ATOM 927 OG SER A 59 6.886 1.038 3.531 1.00 0.00 O ATOM 0 H SER A 59 4.470 -0.316 1.699 1.00 0.00 H new ATOM 0 HA SER A 59 7.084 -0.797 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.341 1.318 1.555 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.630 1.304 1.936 1.00 0.00 H new ATOM 0 HG SER A 59 6.148 0.707 4.084 1.00 0.00 H new ATOM 933 N VAL A 60 6.420 -2.199 3.716 1.00 0.00 N ATOM 934 CA VAL A 60 6.907 -3.076 4.774 1.00 0.00 C ATOM 935 C VAL A 60 6.577 -4.539 4.464 1.00 0.00 C ATOM 936 O VAL A 60 6.982 -5.427 5.206 1.00 0.00 O ATOM 937 CB VAL A 60 6.419 -2.527 6.142 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.905 -2.635 6.378 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.116 -3.185 7.335 1.00 0.00 C ATOM 0 H VAL A 60 5.405 -2.099 3.720 1.00 0.00 H new ATOM 0 HA VAL A 60 7.995 -3.076 4.833 1.00 0.00 H new ATOM 0 HB VAL A 60 6.686 -1.472 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.660 -2.227 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.376 -2.073 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.604 -3.682 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.732 -2.759 8.262 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.924 -4.258 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.190 -3.008 7.272 1.00 0.00 H new ATOM 949 N LEU A 61 5.875 -4.849 3.360 1.00 0.00 N ATOM 950 CA LEU A 61 5.508 -6.188 2.983 1.00 0.00 C ATOM 951 C LEU A 61 6.385 -6.665 1.832 1.00 0.00 C ATOM 952 O LEU A 61 6.647 -7.865 1.725 1.00 0.00 O ATOM 953 CB LEU A 61 4.023 -6.079 2.584 1.00 0.00 C ATOM 954 CG LEU A 61 3.318 -7.326 2.120 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.630 -7.651 0.675 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.541 -8.483 3.078 1.00 0.00 C ATOM 0 H LEU A 61 5.548 -4.143 2.701 1.00 0.00 H new ATOM 0 HA LEU A 61 5.649 -6.918 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.476 -5.686 3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.945 -5.337 1.789 1.00 0.00 H new ATOM 0 HG LEU A 61 2.246 -7.132 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.100 -8.558 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.312 -6.825 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.703 -7.805 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.017 -9.366 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.608 -8.697 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.158 -8.218 4.064 1.00 0.00 H new ATOM 968 N LEU A 62 6.834 -5.754 0.950 1.00 0.00 N ATOM 969 CA LEU A 62 7.624 -6.173 -0.220 1.00 0.00 C ATOM 970 C LEU A 62 8.912 -6.848 0.252 1.00 0.00 C ATOM 971 O LEU A 62 9.514 -7.606 -0.496 1.00 0.00 O ATOM 972 CB LEU A 62 7.936 -5.124 -1.316 1.00 0.00 C ATOM 973 CG LEU A 62 8.985 -4.079 -0.966 1.00 0.00 C ATOM 974 CD1 LEU A 62 9.681 -3.564 -2.232 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.318 -2.996 -0.118 1.00 0.00 C ATOM 0 H LEU A 62 6.669 -4.750 1.021 1.00 0.00 H new ATOM 0 HA LEU A 62 6.956 -6.858 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.263 -5.651 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.010 -4.608 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 62 9.789 -4.507 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.427 -2.818 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.168 -4.395 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.943 -3.113 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.053 -2.235 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.508 -2.537 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.917 -3.442 0.792 1.00 0.00 H new ATOM 987 N SER A 63 9.286 -6.570 1.502 1.00 0.00 N ATOM 988 CA SER A 63 10.364 -7.108 2.278 1.00 0.00 C ATOM 989 C SER A 63 10.383 -8.632 2.255 1.00 0.00 C ATOM 990 O SER A 63 11.251 -9.229 1.623 1.00 0.00 O ATOM 991 CB SER A 63 10.255 -6.501 3.686 1.00 0.00 C ATOM 992 OG SER A 63 10.344 -5.078 3.609 1.00 0.00 O ATOM 0 H SER A 63 8.767 -5.878 2.043 1.00 0.00 H new ATOM 0 HA SER A 63 11.329 -6.835 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.310 -6.791 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.050 -6.890 4.322 1.00 0.00 H new ATOM 0 HG SER A 63 10.272 -4.697 4.509 1.00 0.00 H new ATOM 998 N MET A 64 9.417 -9.259 2.918 1.00 0.00 N ATOM 999 CA MET A 64 9.272 -10.712 2.927 1.00 0.00 C ATOM 1000 C MET A 64 8.915 -11.240 1.536 1.00 0.00 C ATOM 1001 O MET A 64 9.236 -12.374 1.186 1.00 0.00 O ATOM 1002 CB MET A 64 8.174 -11.132 3.905 1.00 0.00 C ATOM 1003 CG MET A 64 6.826 -10.481 3.534 1.00 0.00 C ATOM 1004 SD MET A 64 5.409 -10.796 4.620 1.00 0.00 S ATOM 1005 CE MET A 64 5.586 -12.563 4.841 1.00 0.00 C ATOM 0 H MET A 64 8.709 -8.772 3.467 1.00 0.00 H new ATOM 0 HA MET A 64 10.228 -11.133 3.237 1.00 0.00 H new ATOM 0 HB2 MET A 64 8.072 -12.217 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.455 -10.844 4.918 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.977 -9.403 3.485 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.559 -10.812 2.530 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.624 -12.993 5.119 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.929 -13.014 3.910 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.313 -12.760 5.629 1.00 0.00 H new ATOM 1015 N GLN A 65 8.210 -10.435 0.734 1.00 0.00 N ATOM 1016 CA GLN A 65 7.953 -10.804 -0.642 1.00 0.00 C ATOM 1017 C GLN A 65 9.248 -10.975 -1.431 1.00 0.00 C ATOM 1018 O GLN A 65 9.240 -11.712 -2.411 1.00 0.00 O ATOM 1019 CB GLN A 65 7.151 -9.751 -1.403 1.00 0.00 C ATOM 1020 CG GLN A 65 5.654 -9.877 -1.270 1.00 0.00 C ATOM 1021 CD GLN A 65 5.158 -11.025 -2.149 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.071 -12.173 -1.743 1.00 0.00 O ATOM 1023 NE2 GLN A 65 4.816 -10.735 -3.383 1.00 0.00 N ATOM 0 H GLN A 65 7.816 -9.538 1.018 1.00 0.00 H new ATOM 0 HA GLN A 65 7.392 -11.736 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.451 -8.763 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.414 -9.808 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.385 -10.059 -0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.172 -8.945 -1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.889 -9.775 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.477 -11.469 -4.004 1.00 0.00 H new ATOM 1032 N GLY A 66 10.320 -10.280 -1.051 1.00 0.00 N ATOM 1033 CA GLY A 66 11.605 -10.320 -1.715 1.00 0.00 C ATOM 1034 C GLY A 66 12.210 -8.930 -1.874 1.00 0.00 C ATOM 1035 O GLY A 66 12.560 -8.557 -2.995 1.00 0.00 O ATOM 0 H GLY A 66 10.308 -9.655 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.288 -10.949 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.492 -10.780 -2.697 1.00 0.00 H new ATOM 1039 N ALA A 67 12.347 -8.174 -0.778 1.00 0.00 N ATOM 1040 CA ALA A 67 13.069 -6.907 -0.741 1.00 0.00 C ATOM 1041 C ALA A 67 13.886 -6.777 0.537 1.00 0.00 C ATOM 1042 O ALA A 67 13.403 -6.470 1.628 1.00 0.00 O ATOM 1043 CB ALA A 67 12.145 -5.708 -0.923 1.00 0.00 C ATOM 0 H ALA A 67 11.949 -8.436 0.124 1.00 0.00 H new ATOM 0 HA ALA A 67 13.756 -6.911 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.730 -4.789 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.641 -5.780 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.403 -5.696 -0.125 1.00 0.00 H new ATOM 1049 N VAL A 68 15.185 -6.946 0.396 1.00 0.00 N ATOM 1050 CA VAL A 68 16.104 -6.735 1.505 1.00 0.00 C ATOM 1051 C VAL A 68 16.447 -5.243 1.666 1.00 0.00 C ATOM 1052 O VAL A 68 16.889 -4.826 2.743 1.00 0.00 O ATOM 1053 CB VAL A 68 17.216 -7.803 1.421 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.945 -7.776 0.069 1.00 0.00 C ATOM 1055 CG2 VAL A 68 18.182 -7.788 2.615 1.00 0.00 C ATOM 0 H VAL A 68 15.632 -7.229 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 68 15.673 -6.918 2.489 1.00 0.00 H new ATOM 0 HB VAL A 68 16.704 -8.763 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.718 -8.544 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.232 -7.966 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.403 -6.798 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.934 -8.566 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.672 -6.816 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.627 -7.972 3.535 1.00 0.00 H new ATOM 1065 N ASP A 69 16.080 -4.427 0.670 1.00 0.00 N ATOM 1066 CA ASP A 69 16.490 -3.054 0.494 1.00 0.00 C ATOM 1067 C ASP A 69 15.251 -2.282 0.087 1.00 0.00 C ATOM 1068 O ASP A 69 14.977 -2.056 -1.093 1.00 0.00 O ATOM 1069 CB ASP A 69 17.597 -2.932 -0.561 1.00 0.00 C ATOM 1070 CG ASP A 69 18.576 -4.081 -0.614 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.228 -4.347 0.418 1.00 0.00 O ATOM 1072 OD2 ASP A 69 18.737 -4.646 -1.717 1.00 0.00 O ATOM 0 H ASP A 69 15.452 -4.739 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 69 16.910 -2.654 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.131 -2.830 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.152 -2.013 -0.375 1.00 0.00 H new ATOM 1077 N ILE A 70 14.450 -1.909 1.075 1.00 0.00 N ATOM 1078 CA ILE A 70 13.327 -1.004 0.899 1.00 0.00 C ATOM 1079 C ILE A 70 12.902 -0.383 2.232 1.00 0.00 C ATOM 1080 O ILE A 70 11.797 0.124 2.378 1.00 0.00 O ATOM 1081 CB ILE A 70 12.196 -1.755 0.184 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.293 -0.751 -0.570 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.517 -2.689 1.199 1.00 0.00 C ATOM 1084 CD1 ILE A 70 11.944 -0.050 -1.776 1.00 0.00 C ATOM 0 H ILE A 70 14.565 -2.233 2.035 1.00 0.00 H new ATOM 0 HA ILE A 70 13.616 -0.161 0.271 1.00 0.00 H new ATOM 0 HB ILE A 70 12.554 -2.413 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.403 -1.278 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.960 0.011 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.709 -3.233 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.248 -3.398 1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.112 -2.100 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.226 0.631 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 70 12.816 0.512 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.251 -0.796 -2.508 1.00 0.00 H new ATOM 1096 N ASN A 71 13.772 -0.433 3.232 1.00 0.00 N ATOM 1097 CA ASN A 71 13.550 0.285 4.465 1.00 0.00 C ATOM 1098 C ASN A 71 14.163 1.656 4.240 1.00 0.00 C ATOM 1099 O ASN A 71 13.470 2.662 4.171 1.00 0.00 O ATOM 1100 CB ASN A 71 14.144 -0.532 5.628 1.00 0.00 C ATOM 1101 CG ASN A 71 13.177 -0.738 6.788 1.00 0.00 C ATOM 1102 OD1 ASN A 71 11.978 -0.519 6.700 1.00 0.00 O ATOM 1103 ND2 ASN A 71 13.675 -1.163 7.931 1.00 0.00 N ATOM 0 H ASN A 71 14.640 -0.968 3.206 1.00 0.00 H new ATOM 0 HA ASN A 71 12.504 0.423 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.460 -1.505 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.037 -0.027 5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.061 -1.307 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.675 -1.349 8.014 1.00 0.00 H new ATOM 1110 N ARG A 72 15.473 1.691 4.011 1.00 0.00 N ATOM 1111 CA ARG A 72 16.244 2.926 4.027 1.00 0.00 C ATOM 1112 C ARG A 72 16.112 3.683 2.711 1.00 0.00 C ATOM 1113 O ARG A 72 15.882 4.880 2.706 1.00 0.00 O ATOM 1114 CB ARG A 72 17.716 2.638 4.310 1.00 0.00 C ATOM 1115 CG ARG A 72 17.899 1.924 5.647 1.00 0.00 C ATOM 1116 CD ARG A 72 18.076 0.425 5.475 1.00 0.00 C ATOM 1117 NE ARG A 72 18.119 -0.209 6.802 1.00 0.00 N ATOM 1118 CZ ARG A 72 18.753 -1.346 7.113 1.00 0.00 C ATOM 1119 NH1 ARG A 72 19.350 -2.081 6.179 1.00 0.00 N ATOM 1120 NH2 ARG A 72 18.814 -1.753 8.373 1.00 0.00 N ATOM 0 H ARG A 72 16.029 0.860 3.809 1.00 0.00 H new ATOM 0 HA ARG A 72 15.841 3.551 4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 72 18.128 2.024 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.276 3.573 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 72 18.768 2.335 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.034 2.116 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.255 0.014 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 18.995 0.215 4.928 1.00 0.00 H new ATOM 0 HE ARG A 72 17.619 0.262 7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 72 19.330 -1.781 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.828 -2.944 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.377 -1.199 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.298 -2.620 8.606 1.00 0.00 H new ATOM 1134 N LEU A 73 16.228 3.023 1.557 1.00 0.00 N ATOM 1135 CA LEU A 73 15.961 3.708 0.283 1.00 0.00 C ATOM 1136 C LEU A 73 14.484 4.030 0.091 1.00 0.00 C ATOM 1137 O LEU A 73 14.125 4.626 -0.921 1.00 0.00 O ATOM 1138 CB LEU A 73 16.471 2.927 -0.935 1.00 0.00 C ATOM 1139 CG LEU A 73 15.958 1.479 -0.963 1.00 0.00 C ATOM 1140 CD1 LEU A 73 15.742 1.044 -2.411 1.00 0.00 C ATOM 1141 CD2 LEU A 73 16.954 0.578 -0.210 1.00 0.00 C ATOM 0 H LEU A 73 16.497 2.043 1.473 1.00 0.00 H new ATOM 0 HA LEU A 73 16.518 4.642 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.159 3.437 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.561 2.923 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 73 14.996 1.396 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.378 0.017 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.009 1.698 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 73 16.685 1.106 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.597 -0.452 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.930 0.631 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.042 0.916 0.823 1.00 0.00 H new ATOM 1153 N CYS A 74 13.625 3.625 1.020 1.00 0.00 N ATOM 1154 CA CYS A 74 12.220 3.918 0.925 1.00 0.00 C ATOM 1155 C CYS A 74 11.815 4.924 1.973 1.00 0.00 C ATOM 1156 O CYS A 74 10.913 5.691 1.685 1.00 0.00 O ATOM 1157 CB CYS A 74 11.462 2.619 1.029 1.00 0.00 C ATOM 1158 SG CYS A 74 9.928 2.765 0.088 1.00 0.00 S ATOM 0 H CYS A 74 13.890 3.091 1.847 1.00 0.00 H new ATOM 0 HA CYS A 74 11.983 4.378 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.065 1.798 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.245 2.391 2.073 1.00 0.00 H new ATOM 0 HG CYS A 74 9.263 1.651 0.166 1.00 0.00 H new ATOM 1164 N GLU A 75 12.512 5.029 3.109 1.00 0.00 N ATOM 1165 CA GLU A 75 12.234 6.046 4.112 1.00 0.00 C ATOM 1166 C GLU A 75 12.157 7.420 3.418 1.00 0.00 C ATOM 1167 O GLU A 75 11.254 8.214 3.629 1.00 0.00 O ATOM 1168 CB GLU A 75 13.254 5.934 5.272 1.00 0.00 C ATOM 1169 CG GLU A 75 14.694 6.363 4.974 1.00 0.00 C ATOM 1170 CD GLU A 75 15.250 7.347 5.998 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.741 8.484 6.052 1.00 0.00 O ATOM 1172 OE2 GLU A 75 16.219 6.994 6.718 1.00 0.00 O ATOM 0 H GLU A 75 13.284 4.408 3.353 1.00 0.00 H new ATOM 0 HA GLU A 75 11.263 5.900 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.887 6.534 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.272 4.898 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.331 5.479 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.734 6.817 3.984 1.00 0.00 H new ATOM 1179 N GLU A 76 12.969 7.603 2.389 1.00 0.00 N ATOM 1180 CA GLU A 76 13.129 8.837 1.621 1.00 0.00 C ATOM 1181 C GLU A 76 11.906 9.184 0.724 1.00 0.00 C ATOM 1182 O GLU A 76 11.822 10.257 0.115 1.00 0.00 O ATOM 1183 CB GLU A 76 14.429 8.732 0.804 1.00 0.00 C ATOM 1184 CG GLU A 76 15.271 9.994 0.996 1.00 0.00 C ATOM 1185 CD GLU A 76 16.697 9.733 0.536 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.479 9.220 1.368 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.004 10.062 -0.632 1.00 0.00 O ATOM 0 H GLU A 76 13.570 6.854 2.044 1.00 0.00 H new ATOM 0 HA GLU A 76 13.190 9.668 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.996 7.856 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.195 8.598 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.841 10.820 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.265 10.291 2.045 1.00 0.00 H new ATOM 1194 N MET A 77 10.962 8.247 0.647 1.00 0.00 N ATOM 1195 CA MET A 77 9.654 8.162 -0.016 1.00 0.00 C ATOM 1196 C MET A 77 8.493 7.904 0.958 1.00 0.00 C ATOM 1197 O MET A 77 7.360 7.689 0.511 1.00 0.00 O ATOM 1198 CB MET A 77 9.710 7.081 -1.108 1.00 0.00 C ATOM 1199 CG MET A 77 10.143 7.678 -2.444 1.00 0.00 C ATOM 1200 SD MET A 77 10.890 6.493 -3.584 1.00 0.00 S ATOM 1201 CE MET A 77 11.318 7.670 -4.882 1.00 0.00 C ATOM 0 H MET A 77 11.130 7.370 1.139 1.00 0.00 H new ATOM 0 HA MET A 77 9.449 9.134 -0.464 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.407 6.296 -0.813 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.731 6.614 -1.214 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.275 8.129 -2.925 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.856 8.481 -2.255 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.802 7.144 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.413 8.157 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.998 8.422 -4.482 1.00 0.00 H new ATOM 1211 N LEU A 78 8.743 7.820 2.263 1.00 0.00 N ATOM 1212 CA LEU A 78 7.729 7.515 3.259 1.00 0.00 C ATOM 1213 C LEU A 78 7.907 8.540 4.377 1.00 0.00 C ATOM 1214 O LEU A 78 7.204 9.544 4.470 1.00 0.00 O ATOM 1215 CB LEU A 78 7.884 6.068 3.760 1.00 0.00 C ATOM 1216 CG LEU A 78 8.103 4.961 2.704 1.00 0.00 C ATOM 1217 CD1 LEU A 78 8.934 3.862 3.345 1.00 0.00 C ATOM 1218 CD2 LEU A 78 6.869 4.340 2.072 1.00 0.00 C ATOM 0 H LEU A 78 9.671 7.965 2.660 1.00 0.00 H new ATOM 0 HA LEU A 78 6.721 7.580 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.725 6.041 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.992 5.814 4.332 1.00 0.00 H new ATOM 0 HG LEU A 78 8.595 5.463 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.105 3.065 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.892 4.271 3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.403 3.460 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.172 3.580 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.255 3.881 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.293 5.113 1.563 1.00 0.00 H new ATOM 1230 N ASP A 79 8.960 8.341 5.147 1.00 0.00 N ATOM 1231 CA ASP A 79 9.434 9.160 6.241 1.00 0.00 C ATOM 1232 C ASP A 79 9.752 10.553 5.698 1.00 0.00 C ATOM 1233 O ASP A 79 9.172 11.537 6.123 1.00 0.00 O ATOM 1234 CB ASP A 79 10.653 8.495 6.911 1.00 0.00 C ATOM 1235 CG ASP A 79 10.352 7.138 7.562 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.905 6.201 6.852 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.530 7.040 8.803 1.00 0.00 O ATOM 0 H ASP A 79 9.558 7.527 5.008 1.00 0.00 H new ATOM 0 HA ASP A 79 8.670 9.258 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.436 8.361 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.049 9.170 7.670 1.00 0.00 H new ATOM 1242 N ASN A 80 10.562 10.684 4.660 1.00 0.00 N ATOM 1243 CA ASN A 80 10.810 11.988 4.062 1.00 0.00 C ATOM 1244 C ASN A 80 9.666 12.492 3.192 1.00 0.00 C ATOM 1245 O ASN A 80 9.717 13.639 2.757 1.00 0.00 O ATOM 1246 CB ASN A 80 12.102 11.878 3.268 1.00 0.00 C ATOM 1247 CG ASN A 80 12.699 13.204 2.792 1.00 0.00 C ATOM 1248 OD1 ASN A 80 12.809 14.153 3.563 1.00 0.00 O ATOM 1249 ND2 ASN A 80 13.111 13.312 1.533 1.00 0.00 N ATOM 0 H ASN A 80 11.056 9.910 4.216 1.00 0.00 H new ATOM 0 HA ASN A 80 10.893 12.730 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.843 11.366 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.920 11.248 2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.521 14.186 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.018 12.521 0.896 1.00 0.00 H new ATOM 1256 N ARG A 81 8.644 11.683 2.894 1.00 0.00 N ATOM 1257 CA ARG A 81 7.498 12.160 2.125 1.00 0.00 C ATOM 1258 C ARG A 81 6.784 13.227 2.945 1.00 0.00 C ATOM 1259 O ARG A 81 6.663 14.380 2.534 1.00 0.00 O ATOM 1260 CB ARG A 81 6.596 10.966 1.771 1.00 0.00 C ATOM 1261 CG ARG A 81 5.599 11.269 0.653 1.00 0.00 C ATOM 1262 CD ARG A 81 5.515 10.026 -0.225 1.00 0.00 C ATOM 1263 NE ARG A 81 4.528 10.195 -1.284 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.598 10.959 -2.376 1.00 0.00 C ATOM 1265 NH1 ARG A 81 5.678 11.670 -2.695 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.553 10.984 -3.187 1.00 0.00 N ATOM 0 H ARG A 81 8.590 10.703 3.172 1.00 0.00 H new ATOM 0 HA ARG A 81 7.803 12.615 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.221 10.124 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.049 10.657 2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.621 11.515 1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 5.925 12.131 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.491 9.821 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.252 9.163 0.386 1.00 0.00 H new ATOM 0 HE ARG A 81 3.668 9.657 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.501 11.645 -2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.682 12.239 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.725 10.429 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.575 11.558 -4.030 1.00 0.00 H new ATOM 1280 N ALA A 82 6.330 12.812 4.117 1.00 0.00 N ATOM 1281 CA ALA A 82 5.442 13.593 4.963 1.00 0.00 C ATOM 1282 C ALA A 82 5.691 13.307 6.442 1.00 0.00 C ATOM 1283 O ALA A 82 4.901 13.702 7.293 1.00 0.00 O ATOM 1284 CB ALA A 82 3.996 13.315 4.536 1.00 0.00 C ATOM 0 H ALA A 82 6.573 11.905 4.515 1.00 0.00 H new ATOM 0 HA ALA A 82 5.641 14.657 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.315 13.893 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.863 13.601 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.781 12.253 4.651 1.00 0.00 H new ATOM 1290 N THR A 83 6.783 12.605 6.754 1.00 0.00 N ATOM 1291 CA THR A 83 7.182 12.233 8.107 1.00 0.00 C ATOM 1292 C THR A 83 6.166 11.322 8.796 1.00 0.00 C ATOM 1293 O THR A 83 6.130 11.271 10.027 1.00 0.00 O ATOM 1294 CB THR A 83 7.687 13.456 8.897 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.655 14.196 9.528 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.609 14.394 8.092 1.00 0.00 C ATOM 0 H THR A 83 7.434 12.270 6.044 1.00 0.00 H new ATOM 0 HA THR A 83 8.057 11.584 8.056 1.00 0.00 H new ATOM 0 HB THR A 83 8.296 13.008 9.682 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.856 14.192 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.919 15.228 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.489 13.843 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.072 14.775 7.224 1.00 0.00 H new ATOM 1304 N LEU A 84 5.312 10.657 8.015 1.00 0.00 N ATOM 1305 CA LEU A 84 4.094 10.040 8.515 1.00 0.00 C ATOM 1306 C LEU A 84 3.650 8.921 7.576 1.00 0.00 C ATOM 1307 O LEU A 84 3.637 7.761 7.986 1.00 0.00 O ATOM 1308 CB LEU A 84 3.046 11.163 8.684 1.00 0.00 C ATOM 1309 CG LEU A 84 2.047 10.903 9.814 1.00 0.00 C ATOM 1310 CD1 LEU A 84 2.765 10.713 11.166 1.00 0.00 C ATOM 1311 CD2 LEU A 84 1.036 12.061 9.857 1.00 0.00 C ATOM 0 H LEU A 84 5.452 10.534 7.012 1.00 0.00 H new ATOM 0 HA LEU A 84 4.244 9.563 9.484 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.562 12.104 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.500 11.283 7.748 1.00 0.00 H new ATOM 0 HG LEU A 84 1.511 9.973 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.027 10.530 11.947 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.443 9.862 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.333 11.612 11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.318 11.888 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.563 12.998 10.038 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.509 12.120 8.905 1.00 0.00 H new ATOM 1323 N GLN A 85 3.354 9.296 6.324 1.00 0.00 N ATOM 1324 CA GLN A 85 2.966 8.454 5.205 1.00 0.00 C ATOM 1325 C GLN A 85 2.016 7.334 5.660 1.00 0.00 C ATOM 1326 O GLN A 85 0.877 7.704 6.038 1.00 0.00 O ATOM 1327 CB GLN A 85 4.234 8.018 4.467 1.00 0.00 C ATOM 1328 CG GLN A 85 3.957 7.269 3.157 1.00 0.00 C ATOM 1329 CD GLN A 85 4.204 5.770 3.285 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.824 5.253 4.203 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.766 5.012 2.307 1.00 0.00 N ATOM 0 H GLN A 85 3.385 10.279 6.055 1.00 0.00 H new ATOM 0 HA GLN A 85 2.368 8.998 4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.839 8.898 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.824 7.379 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.924 7.440 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.591 7.674 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.247 5.427 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.945 4.008 2.321 1.00 0.00 H new TER 1340 GLN A 85