USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 594 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 27 SER OG : rot -70:sc= 1.22 USER MOD Set 1.2: A 28 ASN :FLIP amide:sc= -3.47! C(o=-10!,f=-9.5!) USER MOD Set 1.3: A 64 ASN : amide:sc= -7.24! C(o=-9.5!,f=-10!) USER MOD Single : A 3 SER OG : rot 23:sc= 0.0498 USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.647 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 87:sc= 1.19 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.221) USER MOD Single : A 15 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 17 SER OG : rot 59:sc= 0.623 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -41:sc= 0.586 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.0058) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 50:sc= 1.15 USER MOD Single : A 58 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.054) USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= -0.413 (180deg=-1.19) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.3) USER MOD Single : A 77 ASN : amide:sc= -2.59 X(o=-2.6,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.445 5.674 0.016 1.00 0.00 N ATOM 43 CA SER A 3 -0.250 4.407 0.711 1.00 0.00 C ATOM 44 C SER A 3 -1.292 4.224 1.811 1.00 0.00 C ATOM 45 O SER A 3 -2.044 3.249 1.816 1.00 0.00 O ATOM 46 CB SER A 3 1.156 4.341 1.310 1.00 0.00 C ATOM 47 OG SER A 3 2.055 5.168 0.592 1.00 0.00 O ATOM 0 HA SER A 3 -0.367 3.602 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.125 4.653 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.513 3.311 1.295 1.00 0.00 H new ATOM 0 HG SER A 3 1.553 5.867 0.123 1.00 0.00 H new ATOM 53 N THR A 4 -1.331 5.171 2.744 1.00 0.00 N ATOM 54 CA THR A 4 -2.278 5.116 3.850 1.00 0.00 C ATOM 55 C THR A 4 -3.700 4.894 3.346 1.00 0.00 C ATOM 56 O THR A 4 -4.486 4.180 3.968 1.00 0.00 O ATOM 57 CB THR A 4 -2.239 6.407 4.689 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.179 6.320 5.766 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.555 7.621 3.829 1.00 0.00 C ATOM 0 H THR A 4 -0.717 5.985 2.755 1.00 0.00 H new ATOM 0 HA THR A 4 -1.982 4.275 4.477 1.00 0.00 H new ATOM 0 HB THR A 4 -1.233 6.521 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.854 6.845 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.522 8.521 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.820 7.701 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.550 7.513 3.398 1.00 0.00 H new ATOM 67 N PHE A 5 -4.024 5.510 2.214 1.00 0.00 N ATOM 68 CA PHE A 5 -5.352 5.381 1.626 1.00 0.00 C ATOM 69 C PHE A 5 -5.771 3.915 1.547 1.00 0.00 C ATOM 70 O PHE A 5 -6.938 3.580 1.752 1.00 0.00 O ATOM 71 CB PHE A 5 -5.378 6.006 0.230 1.00 0.00 C ATOM 72 CG PHE A 5 -6.638 6.771 -0.061 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.849 6.367 0.477 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.610 7.895 -0.871 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.010 7.069 0.211 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.768 8.601 -1.141 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.969 8.188 -0.598 1.00 0.00 C ATOM 0 H PHE A 5 -3.385 6.104 1.685 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.059 5.909 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.524 6.675 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.261 5.218 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.887 5.494 1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.673 8.223 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.948 6.743 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.733 9.474 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.874 8.739 -0.806 1.00 0.00 H new ATOM 87 N ASP A 6 -4.811 3.047 1.247 1.00 0.00 N ATOM 88 CA ASP A 6 -5.079 1.618 1.141 1.00 0.00 C ATOM 89 C ASP A 6 -5.707 1.086 2.426 1.00 0.00 C ATOM 90 O ASP A 6 -6.910 0.829 2.480 1.00 0.00 O ATOM 91 CB ASP A 6 -3.787 0.857 0.837 1.00 0.00 C ATOM 92 CG ASP A 6 -3.302 1.084 -0.581 1.00 0.00 C ATOM 93 OD1 ASP A 6 -2.695 2.144 -0.837 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.530 0.201 -1.435 1.00 0.00 O ATOM 0 H ASP A 6 -3.840 3.308 1.073 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.783 1.465 0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.012 1.168 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.951 -0.209 0.996 1.00 0.00 H new ATOM 99 N ASP A 7 -4.885 0.921 3.456 1.00 0.00 N ATOM 100 CA ASP A 7 -5.360 0.420 4.740 1.00 0.00 C ATOM 101 C ASP A 7 -6.579 1.205 5.213 1.00 0.00 C ATOM 102 O ASP A 7 -7.453 0.664 5.891 1.00 0.00 O ATOM 103 CB ASP A 7 -4.248 0.502 5.787 1.00 0.00 C ATOM 104 CG ASP A 7 -3.307 -0.685 5.726 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.488 -0.746 4.785 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.388 -1.553 6.620 1.00 0.00 O ATOM 0 H ASP A 7 -3.886 1.127 3.427 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.650 -0.623 4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.680 1.420 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.692 0.559 6.781 1.00 0.00 H new ATOM 111 N ILE A 8 -6.630 2.483 4.852 1.00 0.00 N ATOM 112 CA ILE A 8 -7.742 3.342 5.240 1.00 0.00 C ATOM 113 C ILE A 8 -9.023 2.943 4.516 1.00 0.00 C ATOM 114 O ILE A 8 -10.117 3.026 5.075 1.00 0.00 O ATOM 115 CB ILE A 8 -7.439 4.823 4.944 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.458 5.381 5.977 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.725 5.635 4.935 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.028 6.804 5.695 1.00 0.00 C ATOM 0 H ILE A 8 -5.914 2.946 4.292 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.879 3.215 6.314 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.980 4.895 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.919 5.338 6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.575 4.743 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.494 6.679 4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.394 5.249 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.210 5.560 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.333 7.134 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.538 6.850 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.903 7.455 5.692 1.00 0.00 H new ATOM 130 N LYS A 9 -8.881 2.506 3.269 1.00 0.00 N ATOM 131 CA LYS A 9 -10.026 2.090 2.468 1.00 0.00 C ATOM 132 C LYS A 9 -10.608 0.780 2.990 1.00 0.00 C ATOM 133 O LYS A 9 -11.791 0.497 2.803 1.00 0.00 O ATOM 134 CB LYS A 9 -9.617 1.931 1.002 1.00 0.00 C ATOM 135 CG LYS A 9 -9.277 0.501 0.617 1.00 0.00 C ATOM 136 CD LYS A 9 -8.418 0.450 -0.635 1.00 0.00 C ATOM 137 CE LYS A 9 -9.229 0.031 -1.851 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.408 0.034 -3.094 1.00 0.00 N ATOM 0 H LYS A 9 -7.983 2.431 2.791 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.791 2.862 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.428 2.286 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.754 2.567 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.751 0.017 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.196 -0.061 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.974 1.429 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.596 -0.250 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.638 -0.966 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.075 0.707 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.997 -0.257 -3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.038 0.991 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.615 -0.630 -2.988 1.00 0.00 H new ATOM 152 N LYS A 10 -9.769 -0.015 3.646 1.00 0.00 N ATOM 153 CA LYS A 10 -10.200 -1.294 4.198 1.00 0.00 C ATOM 154 C LYS A 10 -11.007 -1.090 5.476 1.00 0.00 C ATOM 155 O LYS A 10 -12.084 -1.664 5.639 1.00 0.00 O ATOM 156 CB LYS A 10 -8.988 -2.184 4.483 1.00 0.00 C ATOM 157 CG LYS A 10 -7.910 -2.104 3.416 1.00 0.00 C ATOM 158 CD LYS A 10 -8.462 -2.436 2.040 1.00 0.00 C ATOM 159 CE LYS A 10 -8.884 -3.894 1.946 1.00 0.00 C ATOM 160 NZ LYS A 10 -8.152 -4.615 0.867 1.00 0.00 N ATOM 0 H LYS A 10 -8.786 0.204 3.808 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.837 -1.784 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.558 -1.901 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.321 -3.218 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.481 -1.102 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.102 -2.794 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.316 -1.794 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.707 -2.225 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.702 -4.387 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.956 -3.950 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.468 -5.605 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.346 -4.160 -0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.130 -4.583 1.060 1.00 0.00 H new ATOM 174 N ILE A 11 -10.479 -0.270 6.379 1.00 0.00 N ATOM 175 CA ILE A 11 -11.152 0.010 7.641 1.00 0.00 C ATOM 176 C ILE A 11 -12.483 0.718 7.409 1.00 0.00 C ATOM 177 O ILE A 11 -13.485 0.402 8.052 1.00 0.00 O ATOM 178 CB ILE A 11 -10.277 0.877 8.566 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.851 2.158 7.846 1.00 0.00 C ATOM 180 CG2 ILE A 11 -9.058 0.093 9.029 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.853 2.986 8.627 1.00 0.00 C ATOM 0 H ILE A 11 -9.588 0.212 6.260 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.333 -0.951 8.122 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.862 1.153 9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.417 1.896 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.735 2.763 7.645 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.449 0.719 9.682 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.381 -0.794 9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.469 -0.209 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.596 3.879 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.291 3.279 9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.953 2.398 8.806 1.00 0.00 H new ATOM 193 N ILE A 12 -12.485 1.674 6.487 1.00 0.00 N ATOM 194 CA ILE A 12 -13.694 2.424 6.168 1.00 0.00 C ATOM 195 C ILE A 12 -14.674 1.573 5.369 1.00 0.00 C ATOM 196 O ILE A 12 -15.882 1.808 5.396 1.00 0.00 O ATOM 197 CB ILE A 12 -13.370 3.700 5.370 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.790 3.338 4.001 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.400 4.579 6.146 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.702 3.688 2.846 1.00 0.00 C ATOM 0 H ILE A 12 -11.664 1.948 5.948 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.151 2.705 7.117 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.293 4.259 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.838 3.853 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.579 2.269 3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.181 5.477 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.847 4.861 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.476 4.030 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.226 3.403 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.645 3.152 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.893 4.761 2.845 1.00 0.00 H new ATOM 212 N SER A 13 -14.146 0.581 4.659 1.00 0.00 N ATOM 213 CA SER A 13 -14.975 -0.305 3.849 1.00 0.00 C ATOM 214 C SER A 13 -15.782 -1.251 4.733 1.00 0.00 C ATOM 215 O SER A 13 -16.929 -1.580 4.426 1.00 0.00 O ATOM 216 CB SER A 13 -14.104 -1.111 2.883 1.00 0.00 C ATOM 217 OG SER A 13 -13.929 -0.420 1.658 1.00 0.00 O ATOM 0 H SER A 13 -13.148 0.370 4.628 1.00 0.00 H new ATOM 0 HA SER A 13 -15.669 0.310 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.132 -1.303 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.565 -2.081 2.695 1.00 0.00 H new ATOM 0 HG SER A 13 -13.166 0.190 1.733 1.00 0.00 H new ATOM 223 N LYS A 14 -15.176 -1.686 5.833 1.00 0.00 N ATOM 224 CA LYS A 14 -15.837 -2.593 6.764 1.00 0.00 C ATOM 225 C LYS A 14 -16.565 -1.816 7.856 1.00 0.00 C ATOM 226 O LYS A 14 -17.510 -2.319 8.463 1.00 0.00 O ATOM 227 CB LYS A 14 -14.816 -3.543 7.393 1.00 0.00 C ATOM 228 CG LYS A 14 -13.979 -2.900 8.485 1.00 0.00 C ATOM 229 CD LYS A 14 -12.517 -3.297 8.374 1.00 0.00 C ATOM 230 CE LYS A 14 -12.293 -4.733 8.822 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.325 -5.684 7.676 1.00 0.00 N ATOM 0 H LYS A 14 -14.227 -1.425 6.102 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.571 -3.175 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.341 -4.404 7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.154 -3.919 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.068 -1.815 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.364 -3.195 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.185 -3.181 7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.910 -2.626 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.332 -4.809 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.059 -5.011 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.987 -6.616 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.300 -5.770 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.711 -5.331 6.915 1.00 0.00 H new ATOM 245 N GLN A 15 -16.119 -0.587 8.100 1.00 0.00 N ATOM 246 CA GLN A 15 -16.730 0.258 9.119 1.00 0.00 C ATOM 247 C GLN A 15 -17.990 0.930 8.585 1.00 0.00 C ATOM 248 O GLN A 15 -19.001 1.022 9.282 1.00 0.00 O ATOM 249 CB GLN A 15 -15.735 1.318 9.595 1.00 0.00 C ATOM 250 CG GLN A 15 -16.211 2.096 10.811 1.00 0.00 C ATOM 251 CD GLN A 15 -16.785 1.199 11.890 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.242 0.133 12.182 1.00 0.00 O ATOM 253 NE2 GLN A 15 -17.890 1.626 12.489 1.00 0.00 N ATOM 0 H GLN A 15 -15.338 -0.155 7.606 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.008 -0.375 9.962 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.787 0.835 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.542 2.016 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.377 2.665 11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -16.968 2.817 10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.307 2.516 12.216 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.322 1.064 13.222 1.00 0.00 H new ATOM 262 N LEU A 16 -17.924 1.400 7.344 1.00 0.00 N ATOM 263 CA LEU A 16 -19.060 2.065 6.715 1.00 0.00 C ATOM 264 C LEU A 16 -19.447 1.369 5.415 1.00 0.00 C ATOM 265 O LEU A 16 -20.452 0.661 5.354 1.00 0.00 O ATOM 266 CB LEU A 16 -18.730 3.533 6.442 1.00 0.00 C ATOM 267 CG LEU A 16 -18.456 4.400 7.672 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.979 4.752 7.759 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.305 5.662 7.635 1.00 0.00 C ATOM 0 H LEU A 16 -17.095 1.333 6.753 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.906 2.011 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.856 3.573 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.559 3.974 5.889 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.726 3.830 8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.803 5.369 8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.391 3.837 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.683 5.302 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -19.097 6.267 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.067 6.235 6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.360 5.390 7.622 1.00 0.00 H new ATOM 281 N SER A 17 -18.642 1.573 4.377 1.00 0.00 N ATOM 282 CA SER A 17 -18.901 0.966 3.077 1.00 0.00 C ATOM 283 C SER A 17 -17.847 1.390 2.060 1.00 0.00 C ATOM 284 O SER A 17 -17.106 0.560 1.532 1.00 0.00 O ATOM 285 CB SER A 17 -20.294 1.355 2.578 1.00 0.00 C ATOM 286 OG SER A 17 -21.209 0.284 2.734 1.00 0.00 O ATOM 0 H SER A 17 -17.805 2.154 4.411 1.00 0.00 H new ATOM 0 HA SER A 17 -18.854 -0.117 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.651 2.225 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.241 1.642 1.528 1.00 0.00 H new ATOM 0 HG SER A 17 -21.256 0.029 3.679 1.00 0.00 H new ATOM 292 N VAL A 18 -17.785 2.690 1.788 1.00 0.00 N ATOM 293 CA VAL A 18 -16.821 3.227 0.835 1.00 0.00 C ATOM 294 C VAL A 18 -17.029 4.723 0.625 1.00 0.00 C ATOM 295 O VAL A 18 -18.074 5.150 0.137 1.00 0.00 O ATOM 296 CB VAL A 18 -16.918 2.511 -0.525 1.00 0.00 C ATOM 297 CG1 VAL A 18 -18.373 2.326 -0.929 1.00 0.00 C ATOM 298 CG2 VAL A 18 -16.155 3.284 -1.590 1.00 0.00 C ATOM 0 H VAL A 18 -18.391 3.391 2.214 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.831 3.057 1.258 1.00 0.00 H new ATOM 0 HB VAL A 18 -16.464 1.525 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.421 1.818 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -18.886 1.727 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.855 3.300 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.234 2.763 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -16.577 4.284 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.106 3.359 -1.304 1.00 0.00 H new ATOM 308 N GLU A 19 -16.027 5.512 0.999 1.00 0.00 N ATOM 309 CA GLU A 19 -16.102 6.961 0.852 1.00 0.00 C ATOM 310 C GLU A 19 -14.742 7.541 0.474 1.00 0.00 C ATOM 311 O GLU A 19 -14.334 8.580 0.991 1.00 0.00 O ATOM 312 CB GLU A 19 -16.600 7.603 2.149 1.00 0.00 C ATOM 313 CG GLU A 19 -15.744 7.270 3.360 1.00 0.00 C ATOM 314 CD GLU A 19 -16.260 6.068 4.126 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.041 5.285 3.545 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.884 5.909 5.306 1.00 0.00 O ATOM 0 H GLU A 19 -15.155 5.173 1.405 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.807 7.183 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.629 8.685 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.623 7.277 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.721 7.078 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.711 8.133 4.025 1.00 0.00 H new ATOM 323 N GLU A 20 -14.045 6.859 -0.430 1.00 0.00 N ATOM 324 CA GLU A 20 -12.730 7.305 -0.875 1.00 0.00 C ATOM 325 C GLU A 20 -12.847 8.537 -1.768 1.00 0.00 C ATOM 326 O GLU A 20 -11.883 9.280 -1.949 1.00 0.00 O ATOM 327 CB GLU A 20 -12.014 6.182 -1.628 1.00 0.00 C ATOM 328 CG GLU A 20 -12.546 5.956 -3.034 1.00 0.00 C ATOM 329 CD GLU A 20 -12.495 4.499 -3.449 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.454 4.071 -3.991 1.00 0.00 O ATOM 331 OE2 GLU A 20 -13.497 3.785 -3.232 1.00 0.00 O ATOM 0 H GLU A 20 -14.369 5.997 -0.868 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.147 7.571 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.950 6.414 -1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.109 5.257 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.575 6.310 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.965 6.551 -3.738 1.00 0.00 H new ATOM 338 N ASP A 21 -14.035 8.746 -2.325 1.00 0.00 N ATOM 339 CA ASP A 21 -14.280 9.887 -3.199 1.00 0.00 C ATOM 340 C ASP A 21 -14.855 11.061 -2.412 1.00 0.00 C ATOM 341 O ASP A 21 -15.744 11.767 -2.890 1.00 0.00 O ATOM 342 CB ASP A 21 -15.236 9.497 -4.327 1.00 0.00 C ATOM 343 CG ASP A 21 -14.568 8.630 -5.377 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.337 8.439 -5.294 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.278 8.142 -6.281 1.00 0.00 O ATOM 0 H ASP A 21 -14.844 8.140 -2.187 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.327 10.193 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.089 8.963 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.625 10.400 -4.799 1.00 0.00 H new ATOM 350 N LYS A 22 -14.344 11.264 -1.203 1.00 0.00 N ATOM 351 CA LYS A 22 -14.805 12.351 -0.348 1.00 0.00 C ATOM 352 C LYS A 22 -13.993 12.412 0.941 1.00 0.00 C ATOM 353 O LYS A 22 -13.726 13.493 1.467 1.00 0.00 O ATOM 354 CB LYS A 22 -16.289 12.175 -0.020 1.00 0.00 C ATOM 355 CG LYS A 22 -16.584 10.949 0.826 1.00 0.00 C ATOM 356 CD LYS A 22 -18.020 10.483 0.652 1.00 0.00 C ATOM 357 CE LYS A 22 -19.010 11.566 1.052 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.392 11.030 1.191 1.00 0.00 N ATOM 0 H LYS A 22 -13.609 10.689 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.667 13.288 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.644 13.062 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.853 12.108 -0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.903 10.143 0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.399 11.177 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.188 10.200 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.190 9.592 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.697 12.013 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.002 12.360 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.037 11.799 1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.700 10.626 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.406 10.290 1.922 1.00 0.00 H new ATOM 372 N ILE A 23 -13.602 11.246 1.445 1.00 0.00 N ATOM 373 CA ILE A 23 -12.817 11.169 2.671 1.00 0.00 C ATOM 374 C ILE A 23 -11.462 11.846 2.500 1.00 0.00 C ATOM 375 O ILE A 23 -10.926 12.429 3.443 1.00 0.00 O ATOM 376 CB ILE A 23 -12.598 9.708 3.107 1.00 0.00 C ATOM 377 CG1 ILE A 23 -11.968 9.658 4.500 1.00 0.00 C ATOM 378 CG2 ILE A 23 -11.722 8.980 2.098 1.00 0.00 C ATOM 379 CD1 ILE A 23 -12.880 9.073 5.556 1.00 0.00 C ATOM 0 H ILE A 23 -13.816 10.342 1.023 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.384 11.689 3.443 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.565 9.207 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.053 9.068 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.682 10.667 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.576 7.949 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.206 8.990 1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.755 9.479 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.367 9.069 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.785 9.676 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.146 8.052 5.282 1.00 0.00 H new ATOM 391 N GLN A 24 -10.914 11.766 1.292 1.00 0.00 N ATOM 392 CA GLN A 24 -9.622 12.373 0.998 1.00 0.00 C ATOM 393 C GLN A 24 -9.781 13.845 0.634 1.00 0.00 C ATOM 394 O GLN A 24 -9.317 14.289 -0.416 1.00 0.00 O ATOM 395 CB GLN A 24 -8.931 11.625 -0.144 1.00 0.00 C ATOM 396 CG GLN A 24 -9.788 11.497 -1.393 1.00 0.00 C ATOM 397 CD GLN A 24 -9.358 12.446 -2.495 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.192 12.472 -2.888 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.301 13.233 -3.000 1.00 0.00 N ATOM 0 H GLN A 24 -11.345 11.287 0.501 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.005 12.304 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.006 12.143 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.654 10.629 0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.737 10.472 -1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.829 11.692 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.255 13.178 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.071 13.892 -3.744 1.00 0.00 H new ATOM 408 N MET A 25 -10.442 14.598 1.508 1.00 0.00 N ATOM 409 CA MET A 25 -10.662 16.021 1.278 1.00 0.00 C ATOM 410 C MET A 25 -9.426 16.830 1.660 1.00 0.00 C ATOM 411 O MET A 25 -9.415 18.055 1.541 1.00 0.00 O ATOM 412 CB MET A 25 -11.872 16.507 2.077 1.00 0.00 C ATOM 413 CG MET A 25 -13.044 16.932 1.208 1.00 0.00 C ATOM 414 SD MET A 25 -12.853 18.601 0.552 1.00 0.00 S ATOM 415 CE MET A 25 -13.485 18.386 -1.110 1.00 0.00 C ATOM 0 H MET A 25 -10.834 14.246 2.381 1.00 0.00 H new ATOM 0 HA MET A 25 -10.856 16.167 0.215 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.197 15.712 2.748 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.570 17.347 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.151 16.231 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.963 16.878 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.433 19.334 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.886 17.641 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 25 -14.521 18.052 -1.065 1.00 0.00 H new ATOM 425 N ASN A 26 -8.389 16.138 2.119 1.00 0.00 N ATOM 426 CA ASN A 26 -7.149 16.794 2.519 1.00 0.00 C ATOM 427 C ASN A 26 -7.403 17.803 3.634 1.00 0.00 C ATOM 428 O ASN A 26 -6.626 18.738 3.827 1.00 0.00 O ATOM 429 CB ASN A 26 -6.507 17.493 1.319 1.00 0.00 C ATOM 430 CG ASN A 26 -5.099 17.001 1.048 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.183 17.244 1.834 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.920 16.304 -0.068 1.00 0.00 N ATOM 0 H ASN A 26 -8.382 15.123 2.223 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.467 16.030 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.123 17.329 0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.485 18.568 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.994 15.946 -0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.708 16.127 -0.690 1.00 0.00 H new ATOM 439 N SER A 27 -8.496 17.607 4.366 1.00 0.00 N ATOM 440 CA SER A 27 -8.854 18.502 5.460 1.00 0.00 C ATOM 441 C SER A 27 -8.921 17.743 6.782 1.00 0.00 C ATOM 442 O SER A 27 -8.052 17.892 7.640 1.00 0.00 O ATOM 443 CB SER A 27 -10.198 19.175 5.176 1.00 0.00 C ATOM 444 OG SER A 27 -10.384 20.311 6.003 1.00 0.00 O ATOM 0 H SER A 27 -9.148 16.836 4.221 1.00 0.00 H new ATOM 0 HA SER A 27 -8.082 19.267 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.245 19.472 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.007 18.464 5.342 1.00 0.00 H new ATOM 0 HG SER A 27 -10.519 20.022 6.930 1.00 0.00 H new ATOM 450 N ASN A 28 -9.961 16.930 6.938 1.00 0.00 N ATOM 451 CA ASN A 28 -10.143 16.148 8.156 1.00 0.00 C ATOM 452 C ASN A 28 -10.958 14.889 7.877 1.00 0.00 C ATOM 453 O ASN A 28 -11.580 14.760 6.822 1.00 0.00 O ATOM 454 CB ASN A 28 -10.835 16.991 9.229 1.00 0.00 C ATOM 455 CG ASN A 28 -10.437 18.453 9.163 1.00 0.00 C ATOM 456 OD1 ASN A 28 -11.181 19.234 8.388 1.00 0.00 O flip ATOM 457 ND2 ASN A 28 -9.472 18.874 9.800 1.00 0.00 N flip ATOM 0 H ASN A 28 -10.690 16.796 6.237 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.159 15.849 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.915 16.906 9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.588 16.594 10.214 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.929 18.237 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.215 19.860 9.745 1.00 0.00 H new ATOM 464 N PHE A 29 -10.952 13.964 8.831 1.00 0.00 N ATOM 465 CA PHE A 29 -11.691 12.715 8.688 1.00 0.00 C ATOM 466 C PHE A 29 -12.973 12.744 9.515 1.00 0.00 C ATOM 467 O PHE A 29 -13.964 12.099 9.170 1.00 0.00 O ATOM 468 CB PHE A 29 -10.821 11.531 9.116 1.00 0.00 C ATOM 469 CG PHE A 29 -10.158 10.828 7.967 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.301 11.512 7.120 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.392 9.482 7.733 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.688 10.868 6.062 1.00 0.00 C ATOM 473 CE2 PHE A 29 -9.782 8.833 6.676 1.00 0.00 C ATOM 474 CZ PHE A 29 -8.930 9.527 5.839 1.00 0.00 C ATOM 0 H PHE A 29 -10.444 14.056 9.711 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.959 12.599 7.638 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.055 11.884 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.437 10.816 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.110 12.561 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.058 8.935 8.383 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.021 11.413 5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.971 7.784 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.454 9.022 5.012 1.00 0.00 H new ATOM 484 N THR A 30 -12.946 13.496 10.611 1.00 0.00 N ATOM 485 CA THR A 30 -14.103 13.608 11.490 1.00 0.00 C ATOM 486 C THR A 30 -14.647 15.032 11.504 1.00 0.00 C ATOM 487 O THR A 30 -15.548 15.357 12.277 1.00 0.00 O ATOM 488 CB THR A 30 -13.758 13.189 12.931 1.00 0.00 C ATOM 489 OG1 THR A 30 -14.954 13.089 13.712 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.809 14.189 13.573 1.00 0.00 C ATOM 0 H THR A 30 -12.135 14.037 10.911 1.00 0.00 H new ATOM 0 HA THR A 30 -14.864 12.934 11.096 1.00 0.00 H new ATOM 0 HB THR A 30 -13.266 12.217 12.895 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.549 13.838 13.497 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.580 13.872 14.590 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.888 14.241 12.993 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.278 15.172 13.597 1.00 0.00 H new ATOM 498 N LYS A 31 -14.094 15.880 10.643 1.00 0.00 N ATOM 499 CA LYS A 31 -14.524 17.270 10.553 1.00 0.00 C ATOM 500 C LYS A 31 -15.040 17.592 9.154 1.00 0.00 C ATOM 501 O LYS A 31 -15.949 18.405 8.990 1.00 0.00 O ATOM 502 CB LYS A 31 -13.368 18.207 10.910 1.00 0.00 C ATOM 503 CG LYS A 31 -12.404 17.624 11.929 1.00 0.00 C ATOM 504 CD LYS A 31 -11.260 18.579 12.225 1.00 0.00 C ATOM 505 CE LYS A 31 -11.361 19.152 13.630 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.530 18.388 14.602 1.00 0.00 N ATOM 0 H LYS A 31 -13.346 15.628 9.997 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.337 17.419 11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.818 18.454 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.775 19.140 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.940 17.400 12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.005 16.681 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.310 18.057 12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.266 19.391 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.043 20.194 13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.402 19.139 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.626 18.810 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.850 17.399 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.533 18.421 14.308 1.00 0.00 H new ATOM 520 N ASP A 32 -14.455 16.947 8.151 1.00 0.00 N ATOM 521 CA ASP A 32 -14.858 17.162 6.766 1.00 0.00 C ATOM 522 C ASP A 32 -16.114 16.362 6.434 1.00 0.00 C ATOM 523 O ASP A 32 -17.208 16.917 6.333 1.00 0.00 O ATOM 524 CB ASP A 32 -13.724 16.773 5.816 1.00 0.00 C ATOM 525 CG ASP A 32 -14.099 16.962 4.359 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.728 16.048 3.785 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.763 18.023 3.794 1.00 0.00 O ATOM 0 H ASP A 32 -13.700 16.271 8.271 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.080 18.221 6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.843 17.373 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.453 15.731 5.986 1.00 0.00 H new ATOM 532 N LEU A 33 -15.948 15.055 6.266 1.00 0.00 N ATOM 533 CA LEU A 33 -17.068 14.177 5.944 1.00 0.00 C ATOM 534 C LEU A 33 -18.107 14.189 7.061 1.00 0.00 C ATOM 535 O LEU A 33 -19.289 13.943 6.826 1.00 0.00 O ATOM 536 CB LEU A 33 -16.571 12.749 5.709 1.00 0.00 C ATOM 537 CG LEU A 33 -15.499 12.244 6.674 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.986 11.008 7.415 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.207 11.946 5.928 1.00 0.00 C ATOM 0 H LEU A 33 -15.049 14.580 6.347 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.537 14.546 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.426 12.075 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.177 12.685 4.695 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.300 13.026 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.209 10.663 8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.884 11.254 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.215 10.220 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.455 11.588 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.391 11.182 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.848 12.855 5.445 1.00 0.00 H new ATOM 551 N GLY A 34 -17.657 14.478 8.278 1.00 0.00 N ATOM 552 CA GLY A 34 -18.560 14.519 9.413 1.00 0.00 C ATOM 553 C GLY A 34 -19.397 13.260 9.534 1.00 0.00 C ATOM 554 O GLY A 34 -20.621 13.328 9.635 1.00 0.00 O ATOM 0 H GLY A 34 -16.683 14.685 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.983 14.657 10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.219 15.382 9.318 1.00 0.00 H new ATOM 558 N ALA A 35 -18.735 12.108 9.521 1.00 0.00 N ATOM 559 CA ALA A 35 -19.425 10.829 9.629 1.00 0.00 C ATOM 560 C ALA A 35 -19.969 10.617 11.038 1.00 0.00 C ATOM 561 O ALA A 35 -21.141 10.880 11.308 1.00 0.00 O ATOM 562 CB ALA A 35 -18.491 9.691 9.245 1.00 0.00 C ATOM 0 H ALA A 35 -17.721 12.034 9.437 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.269 10.840 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.020 8.742 9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.154 9.828 8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.629 9.687 9.912 1.00 0.00 H new ATOM 568 N ASP A 36 -19.110 10.139 11.933 1.00 0.00 N ATOM 569 CA ASP A 36 -19.504 9.892 13.315 1.00 0.00 C ATOM 570 C ASP A 36 -18.348 9.297 14.112 1.00 0.00 C ATOM 571 O ASP A 36 -17.681 8.348 13.702 1.00 0.00 O ATOM 572 CB ASP A 36 -20.710 8.952 13.363 1.00 0.00 C ATOM 573 CG ASP A 36 -20.530 7.733 12.479 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.535 7.893 11.241 1.00 0.00 O ATOM 575 OD2 ASP A 36 -20.384 6.620 13.026 1.00 0.00 O ATOM 0 H ASP A 36 -18.137 9.915 11.726 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.778 10.846 13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.875 8.630 14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.602 9.495 13.051 1.00 0.00 H new ATOM 580 N SER A 37 -18.089 9.870 15.300 1.00 0.00 N ATOM 581 CA SER A 37 -17.018 9.478 16.244 1.00 0.00 C ATOM 582 C SER A 37 -16.859 7.953 16.362 1.00 0.00 C ATOM 583 O SER A 37 -15.752 7.415 16.352 1.00 0.00 O ATOM 584 CB SER A 37 -17.356 10.123 17.598 1.00 0.00 C ATOM 585 OG SER A 37 -18.550 9.566 18.149 1.00 0.00 O ATOM 0 H SER A 37 -18.642 10.653 15.647 1.00 0.00 H new ATOM 0 HA SER A 37 -16.054 9.831 15.877 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.528 9.975 18.292 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.478 11.199 17.472 1.00 0.00 H new ATOM 0 HG SER A 37 -18.742 9.992 19.011 1.00 0.00 H new ATOM 590 N LEU A 38 -17.994 7.271 16.475 1.00 0.00 N ATOM 591 CA LEU A 38 -18.004 5.818 16.597 1.00 0.00 C ATOM 592 C LEU A 38 -17.334 5.165 15.392 1.00 0.00 C ATOM 593 O LEU A 38 -16.446 4.326 15.541 1.00 0.00 O ATOM 594 CB LEU A 38 -19.439 5.307 16.736 1.00 0.00 C ATOM 595 CG LEU A 38 -20.351 6.113 17.662 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.215 7.072 16.857 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.219 5.183 18.496 1.00 0.00 C ATOM 0 H LEU A 38 -18.919 7.701 16.485 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.442 5.550 17.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.892 5.281 15.745 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.404 4.279 17.097 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.727 6.698 18.337 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.857 7.637 17.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.576 7.760 16.303 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.831 6.507 16.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.862 5.773 19.149 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.835 4.572 17.837 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.583 4.537 19.101 1.00 0.00 H new ATOM 609 N ASP A 39 -17.764 5.559 14.198 1.00 0.00 N ATOM 610 CA ASP A 39 -17.204 5.015 12.966 1.00 0.00 C ATOM 611 C ASP A 39 -15.741 5.417 12.811 1.00 0.00 C ATOM 612 O ASP A 39 -14.871 4.568 12.610 1.00 0.00 O ATOM 613 CB ASP A 39 -18.009 5.497 11.759 1.00 0.00 C ATOM 614 CG ASP A 39 -19.211 4.618 11.476 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.567 3.800 12.350 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.796 4.748 10.381 1.00 0.00 O ATOM 0 H ASP A 39 -18.498 6.253 14.057 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.260 3.928 13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.344 6.520 11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.364 5.519 10.881 1.00 0.00 H new ATOM 621 N LEU A 40 -15.476 6.715 12.904 1.00 0.00 N ATOM 622 CA LEU A 40 -14.117 7.230 12.773 1.00 0.00 C ATOM 623 C LEU A 40 -13.174 6.532 13.747 1.00 0.00 C ATOM 624 O LEU A 40 -12.154 5.971 13.346 1.00 0.00 O ATOM 625 CB LEU A 40 -14.097 8.740 13.020 1.00 0.00 C ATOM 626 CG LEU A 40 -14.292 9.624 11.788 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.226 9.327 10.744 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.683 9.426 11.203 1.00 0.00 C ATOM 0 H LEU A 40 -16.184 7.430 13.070 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.775 7.029 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.877 8.980 13.742 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.144 9.000 13.482 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.193 10.666 12.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.381 9.965 9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.240 9.521 11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.293 8.282 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.803 10.063 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.811 8.383 10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.432 9.690 11.949 1.00 0.00 H new ATOM 640 N VAL A 41 -13.522 6.568 15.029 1.00 0.00 N ATOM 641 CA VAL A 41 -12.708 5.935 16.061 1.00 0.00 C ATOM 642 C VAL A 41 -12.613 4.430 15.839 1.00 0.00 C ATOM 643 O VAL A 41 -11.654 3.790 16.268 1.00 0.00 O ATOM 644 CB VAL A 41 -13.278 6.201 17.467 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.497 5.423 18.515 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.262 7.691 17.775 1.00 0.00 C ATOM 0 H VAL A 41 -14.362 7.029 15.378 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.712 6.373 15.992 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.313 5.859 17.492 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.914 5.623 19.502 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.565 4.356 18.302 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.452 5.731 18.493 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.668 7.861 18.772 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.237 8.060 17.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.869 8.221 17.041 1.00 0.00 H new ATOM 656 N GLU A 42 -13.615 3.872 15.167 1.00 0.00 N ATOM 657 CA GLU A 42 -13.643 2.440 14.888 1.00 0.00 C ATOM 658 C GLU A 42 -12.663 2.083 13.774 1.00 0.00 C ATOM 659 O GLU A 42 -11.649 1.425 14.011 1.00 0.00 O ATOM 660 CB GLU A 42 -15.056 2.002 14.500 1.00 0.00 C ATOM 661 CG GLU A 42 -15.882 1.500 15.672 1.00 0.00 C ATOM 662 CD GLU A 42 -16.154 0.010 15.600 1.00 0.00 C ATOM 663 OE1 GLU A 42 -15.195 -0.776 15.752 1.00 0.00 O ATOM 664 OE2 GLU A 42 -17.325 -0.370 15.391 1.00 0.00 O ATOM 0 H GLU A 42 -14.417 4.388 14.806 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.343 1.913 15.794 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.573 2.842 14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.990 1.214 13.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.360 1.725 16.602 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.830 2.037 15.700 1.00 0.00 H new ATOM 671 N LEU A 43 -12.973 2.521 12.559 1.00 0.00 N ATOM 672 CA LEU A 43 -12.121 2.248 11.407 1.00 0.00 C ATOM 673 C LEU A 43 -10.657 2.523 11.735 1.00 0.00 C ATOM 674 O LEU A 43 -9.767 1.788 11.308 1.00 0.00 O ATOM 675 CB LEU A 43 -12.557 3.097 10.212 1.00 0.00 C ATOM 676 CG LEU A 43 -12.356 4.607 10.353 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.073 5.041 9.663 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.550 5.359 9.785 1.00 0.00 C ATOM 0 H LEU A 43 -13.808 3.067 12.346 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.225 1.193 11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.010 2.758 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.614 2.907 10.023 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.273 4.846 11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.947 6.118 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.225 4.528 10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.126 4.789 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.390 6.432 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.665 5.115 8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.452 5.070 10.325 1.00 0.00 H new ATOM 690 N ILE A 44 -10.417 3.586 12.495 1.00 0.00 N ATOM 691 CA ILE A 44 -9.061 3.957 12.882 1.00 0.00 C ATOM 692 C ILE A 44 -8.434 2.891 13.775 1.00 0.00 C ATOM 693 O ILE A 44 -7.318 2.436 13.525 1.00 0.00 O ATOM 694 CB ILE A 44 -9.036 5.308 13.620 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.404 6.444 12.663 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.666 5.550 14.236 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.833 7.712 13.366 1.00 0.00 C ATOM 0 H ILE A 44 -11.143 4.205 12.855 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.483 4.044 11.962 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.774 5.281 14.422 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.547 6.664 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.210 6.110 12.009 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.664 6.509 14.754 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.440 4.754 14.945 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.911 5.561 13.450 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.079 8.473 12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.709 7.508 13.981 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.021 8.070 13.999 1.00 0.00 H new ATOM 709 N MET A 45 -9.160 2.496 14.816 1.00 0.00 N ATOM 710 CA MET A 45 -8.676 1.481 15.744 1.00 0.00 C ATOM 711 C MET A 45 -8.210 0.237 14.995 1.00 0.00 C ATOM 712 O MET A 45 -7.282 -0.447 15.425 1.00 0.00 O ATOM 713 CB MET A 45 -9.772 1.109 16.744 1.00 0.00 C ATOM 714 CG MET A 45 -10.489 -0.188 16.404 1.00 0.00 C ATOM 715 SD MET A 45 -11.967 -0.446 17.403 1.00 0.00 S ATOM 716 CE MET A 45 -11.541 -1.964 18.253 1.00 0.00 C ATOM 0 H MET A 45 -10.085 2.863 15.038 1.00 0.00 H new ATOM 0 HA MET A 45 -7.826 1.896 16.286 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.332 1.022 17.737 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.502 1.917 16.788 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.765 -0.181 15.349 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.806 -1.025 16.549 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.360 -2.254 18.912 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.366 -2.753 17.522 1.00 0.00 H new ATOM 0 HE3 MET A 45 -10.638 -1.809 18.843 1.00 0.00 H new ATOM 726 N ALA A 46 -8.861 -0.051 13.872 1.00 0.00 N ATOM 727 CA ALA A 46 -8.513 -1.212 13.063 1.00 0.00 C ATOM 728 C ALA A 46 -7.212 -0.980 12.302 1.00 0.00 C ATOM 729 O ALA A 46 -6.349 -1.857 12.246 1.00 0.00 O ATOM 730 CB ALA A 46 -9.641 -1.539 12.096 1.00 0.00 C ATOM 0 H ALA A 46 -9.632 0.504 13.502 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.366 -2.060 13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.367 -2.408 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.550 -1.756 12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.815 -0.687 11.439 1.00 0.00 H new ATOM 736 N LEU A 47 -7.077 0.205 11.717 1.00 0.00 N ATOM 737 CA LEU A 47 -5.881 0.552 10.958 1.00 0.00 C ATOM 738 C LEU A 47 -4.621 0.294 11.779 1.00 0.00 C ATOM 739 O LEU A 47 -3.707 -0.395 11.328 1.00 0.00 O ATOM 740 CB LEU A 47 -5.932 2.020 10.530 1.00 0.00 C ATOM 741 CG LEU A 47 -5.393 2.332 9.134 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.384 3.832 8.888 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.996 1.752 8.960 1.00 0.00 C ATOM 0 H LEU A 47 -7.781 0.942 11.754 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.849 -0.078 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.967 2.357 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.369 2.609 11.255 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.051 1.869 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.997 4.035 7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.399 4.220 8.970 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.749 4.318 9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.628 1.984 7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.327 2.186 9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.032 0.671 9.092 1.00 0.00 H new ATOM 755 N GLU A 48 -4.583 0.850 12.986 1.00 0.00 N ATOM 756 CA GLU A 48 -3.436 0.678 13.869 1.00 0.00 C ATOM 757 C GLU A 48 -3.359 -0.755 14.388 1.00 0.00 C ATOM 758 O GLU A 48 -2.272 -1.292 14.599 1.00 0.00 O ATOM 759 CB GLU A 48 -3.518 1.654 15.045 1.00 0.00 C ATOM 760 CG GLU A 48 -4.872 1.664 15.733 1.00 0.00 C ATOM 761 CD GLU A 48 -4.797 2.171 17.161 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.229 3.263 17.373 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.306 1.476 18.065 1.00 0.00 O ATOM 0 H GLU A 48 -5.333 1.423 13.374 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.534 0.887 13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.751 1.396 15.775 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.293 2.659 14.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.560 2.290 15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.284 0.655 15.731 1.00 0.00 H new ATOM 770 N GLU A 49 -4.521 -1.367 14.592 1.00 0.00 N ATOM 771 CA GLU A 49 -4.585 -2.737 15.088 1.00 0.00 C ATOM 772 C GLU A 49 -4.028 -3.715 14.058 1.00 0.00 C ATOM 773 O GLU A 49 -3.603 -4.819 14.399 1.00 0.00 O ATOM 774 CB GLU A 49 -6.028 -3.111 15.434 1.00 0.00 C ATOM 775 CG GLU A 49 -6.410 -2.799 16.871 1.00 0.00 C ATOM 776 CD GLU A 49 -6.470 -4.040 17.741 1.00 0.00 C ATOM 777 OE1 GLU A 49 -7.240 -4.964 17.403 1.00 0.00 O ATOM 778 OE2 GLU A 49 -5.748 -4.087 18.758 1.00 0.00 O ATOM 0 H GLU A 49 -5.430 -0.937 14.422 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.975 -2.799 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.703 -2.579 14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.172 -4.176 15.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.687 -2.100 17.291 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.380 -2.302 16.886 1.00 0.00 H new ATOM 785 N LYS A 50 -4.033 -3.302 12.795 1.00 0.00 N ATOM 786 CA LYS A 50 -3.527 -4.139 11.714 1.00 0.00 C ATOM 787 C LYS A 50 -2.042 -3.884 11.476 1.00 0.00 C ATOM 788 O LYS A 50 -1.293 -4.797 11.128 1.00 0.00 O ATOM 789 CB LYS A 50 -4.313 -3.875 10.427 1.00 0.00 C ATOM 790 CG LYS A 50 -3.658 -4.454 9.185 1.00 0.00 C ATOM 791 CD LYS A 50 -3.385 -5.941 9.340 1.00 0.00 C ATOM 792 CE LYS A 50 -3.986 -6.741 8.195 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.060 -7.802 7.712 1.00 0.00 N ATOM 0 H LYS A 50 -4.382 -2.392 12.495 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.656 -5.181 12.005 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.313 -4.295 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.431 -2.799 10.297 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.303 -4.290 8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.723 -3.930 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.309 -6.112 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.798 -6.291 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.921 -7.196 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.229 -6.069 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.507 -8.324 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.178 -7.366 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.847 -8.458 8.490 1.00 0.00 H new ATOM 807 N PHE A 51 -1.623 -2.638 11.669 1.00 0.00 N ATOM 808 CA PHE A 51 -0.227 -2.263 11.477 1.00 0.00 C ATOM 809 C PHE A 51 0.607 -2.620 12.704 1.00 0.00 C ATOM 810 O PHE A 51 1.816 -2.824 12.608 1.00 0.00 O ATOM 811 CB PHE A 51 -0.114 -0.765 11.188 1.00 0.00 C ATOM 812 CG PHE A 51 -0.201 -0.428 9.726 1.00 0.00 C ATOM 813 CD1 PHE A 51 0.515 -1.156 8.790 1.00 0.00 C ATOM 814 CD2 PHE A 51 -1.000 0.617 9.289 1.00 0.00 C ATOM 815 CE1 PHE A 51 0.437 -0.848 7.445 1.00 0.00 C ATOM 816 CE2 PHE A 51 -1.082 0.930 7.945 1.00 0.00 C ATOM 817 CZ PHE A 51 -0.363 0.196 7.022 1.00 0.00 C ATOM 0 H PHE A 51 -2.230 -1.871 11.958 1.00 0.00 H new ATOM 0 HA PHE A 51 0.158 -2.821 10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.906 -0.239 11.722 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.834 -0.398 11.582 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.141 -1.974 9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.565 1.193 10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.001 -1.423 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.707 1.747 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.426 0.438 5.971 1.00 0.00 H new ATOM 827 N ASN A 52 -0.050 -2.692 13.857 1.00 0.00 N ATOM 828 CA ASN A 52 0.629 -3.023 15.105 1.00 0.00 C ATOM 829 C ASN A 52 1.636 -1.939 15.479 1.00 0.00 C ATOM 830 O ASN A 52 2.802 -2.228 15.752 1.00 0.00 O ATOM 831 CB ASN A 52 1.338 -4.373 14.981 1.00 0.00 C ATOM 832 CG ASN A 52 1.575 -5.027 16.328 1.00 0.00 C ATOM 833 OD1 ASN A 52 2.655 -4.907 16.908 1.00 0.00 O ATOM 834 ND2 ASN A 52 0.564 -5.724 16.834 1.00 0.00 N ATOM 0 H ASN A 52 -1.052 -2.526 13.953 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.121 -3.085 15.893 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.741 -5.038 14.357 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.293 -4.234 14.475 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.665 -6.186 17.738 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.313 -5.797 16.319 1.00 0.00 H new ATOM 841 N VAL A 53 1.178 -0.692 15.491 1.00 0.00 N ATOM 842 CA VAL A 53 2.038 0.435 15.833 1.00 0.00 C ATOM 843 C VAL A 53 1.782 0.907 17.261 1.00 0.00 C ATOM 844 O VAL A 53 0.945 0.349 17.971 1.00 0.00 O ATOM 845 CB VAL A 53 1.826 1.617 14.868 1.00 0.00 C ATOM 846 CG1 VAL A 53 3.150 2.297 14.557 1.00 0.00 C ATOM 847 CG2 VAL A 53 1.146 1.146 13.591 1.00 0.00 C ATOM 0 H VAL A 53 0.216 -0.436 15.268 1.00 0.00 H new ATOM 0 HA VAL A 53 3.067 0.086 15.747 1.00 0.00 H new ATOM 0 HB VAL A 53 1.176 2.346 15.351 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.980 3.129 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.593 2.670 15.480 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.827 1.580 14.093 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.004 1.994 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.769 0.397 13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.177 0.709 13.834 1.00 0.00 H new ATOM 857 N THR A 54 2.510 1.939 17.676 1.00 0.00 N ATOM 858 CA THR A 54 2.363 2.487 19.019 1.00 0.00 C ATOM 859 C THR A 54 1.691 3.854 18.985 1.00 0.00 C ATOM 860 O THR A 54 2.362 4.887 19.019 1.00 0.00 O ATOM 861 CB THR A 54 3.726 2.614 19.725 1.00 0.00 C ATOM 862 OG1 THR A 54 4.334 1.324 19.853 1.00 0.00 O ATOM 863 CG2 THR A 54 3.566 3.243 21.101 1.00 0.00 C ATOM 0 H THR A 54 3.207 2.412 17.101 1.00 0.00 H new ATOM 0 HA THR A 54 1.736 1.792 19.577 1.00 0.00 H new ATOM 0 HB THR A 54 4.365 3.258 19.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.201 1.414 20.301 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.542 3.322 21.580 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.130 4.237 20.998 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.911 2.621 21.711 1.00 0.00 H new ATOM 871 N ILE A 55 0.364 3.855 18.917 1.00 0.00 N ATOM 872 CA ILE A 55 -0.397 5.097 18.881 1.00 0.00 C ATOM 873 C ILE A 55 -1.634 5.010 19.770 1.00 0.00 C ATOM 874 O ILE A 55 -1.834 4.023 20.477 1.00 0.00 O ATOM 875 CB ILE A 55 -0.834 5.448 17.446 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.268 4.430 16.454 1.00 0.00 C ATOM 877 CG2 ILE A 55 -0.384 6.855 17.084 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.007 3.110 16.454 1.00 0.00 C ATOM 0 H ILE A 55 -0.206 3.010 18.886 1.00 0.00 H new ATOM 0 HA ILE A 55 0.261 5.881 19.254 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.922 5.411 17.394 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.301 4.855 15.451 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.781 4.250 16.690 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.700 7.088 16.067 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.831 7.569 17.776 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.702 6.918 17.149 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.551 2.438 15.727 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.952 2.662 17.446 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.051 3.277 16.188 1.00 0.00 H new ATOM 890 N SER A 56 -2.461 6.050 19.727 1.00 0.00 N ATOM 891 CA SER A 56 -3.677 6.092 20.530 1.00 0.00 C ATOM 892 C SER A 56 -4.437 7.395 20.297 1.00 0.00 C ATOM 893 O SER A 56 -5.452 7.419 19.602 1.00 0.00 O ATOM 894 CB SER A 56 -3.339 5.943 22.014 1.00 0.00 C ATOM 895 OG SER A 56 -3.472 4.597 22.435 1.00 0.00 O ATOM 0 H SER A 56 -2.311 6.874 19.145 1.00 0.00 H new ATOM 0 HA SER A 56 -4.313 5.261 20.225 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.320 6.284 22.194 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.997 6.579 22.606 1.00 0.00 H new ATOM 0 HG SER A 56 -2.995 4.010 21.811 1.00 0.00 H new ATOM 901 N ASP A 57 -3.936 8.476 20.884 1.00 0.00 N ATOM 902 CA ASP A 57 -4.566 9.784 20.741 1.00 0.00 C ATOM 903 C ASP A 57 -4.247 10.395 19.380 1.00 0.00 C ATOM 904 O ASP A 57 -5.150 10.739 18.618 1.00 0.00 O ATOM 905 CB ASP A 57 -4.101 10.722 21.856 1.00 0.00 C ATOM 906 CG ASP A 57 -5.124 10.852 22.967 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.114 10.005 23.884 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.934 11.801 22.920 1.00 0.00 O ATOM 0 H ASP A 57 -3.096 8.473 21.463 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.645 9.650 20.815 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.163 10.352 22.271 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.897 11.707 21.437 1.00 0.00 H new ATOM 913 N GLN A 58 -2.958 10.525 19.083 1.00 0.00 N ATOM 914 CA GLN A 58 -2.522 11.096 17.814 1.00 0.00 C ATOM 915 C GLN A 58 -3.160 10.364 16.639 1.00 0.00 C ATOM 916 O GLN A 58 -3.618 10.987 15.681 1.00 0.00 O ATOM 917 CB GLN A 58 -0.997 11.035 17.701 1.00 0.00 C ATOM 918 CG GLN A 58 -0.274 11.574 18.925 1.00 0.00 C ATOM 919 CD GLN A 58 -0.764 12.949 19.334 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.295 13.965 18.821 1.00 0.00 O ATOM 921 NE2 GLN A 58 -1.712 12.988 20.262 1.00 0.00 N ATOM 0 H GLN A 58 -2.198 10.243 19.703 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.841 12.138 17.785 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.694 10.001 17.537 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.683 11.602 16.825 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.410 10.882 19.756 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.795 11.620 18.720 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.072 12.121 20.660 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.081 13.885 20.577 1.00 0.00 H new ATOM 930 N ASP A 59 -3.188 9.038 16.719 1.00 0.00 N ATOM 931 CA ASP A 59 -3.771 8.220 15.662 1.00 0.00 C ATOM 932 C ASP A 59 -5.243 8.566 15.458 1.00 0.00 C ATOM 933 O ASP A 59 -5.823 8.261 14.416 1.00 0.00 O ATOM 934 CB ASP A 59 -3.625 6.735 15.998 1.00 0.00 C ATOM 935 CG ASP A 59 -4.610 5.870 15.236 1.00 0.00 C ATOM 936 OD1 ASP A 59 -4.657 5.979 13.993 1.00 0.00 O ATOM 937 OD2 ASP A 59 -5.333 5.083 15.883 1.00 0.00 O ATOM 0 H ASP A 59 -2.814 8.507 17.505 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.235 8.429 14.736 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.609 6.412 15.769 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.772 6.591 17.068 1.00 0.00 H new ATOM 942 N ALA A 60 -5.841 9.203 16.459 1.00 0.00 N ATOM 943 CA ALA A 60 -7.244 9.590 16.388 1.00 0.00 C ATOM 944 C ALA A 60 -7.390 11.048 15.965 1.00 0.00 C ATOM 945 O ALA A 60 -8.503 11.563 15.850 1.00 0.00 O ATOM 946 CB ALA A 60 -7.924 9.358 17.730 1.00 0.00 C ATOM 0 H ALA A 60 -5.375 9.462 17.329 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.729 8.969 15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.972 9.651 17.663 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.859 8.302 17.993 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.429 9.954 18.497 1.00 0.00 H new ATOM 952 N LEU A 61 -6.261 11.708 15.733 1.00 0.00 N ATOM 953 CA LEU A 61 -6.263 13.108 15.322 1.00 0.00 C ATOM 954 C LEU A 61 -5.062 13.416 14.434 1.00 0.00 C ATOM 955 O LEU A 61 -4.456 14.483 14.539 1.00 0.00 O ATOM 956 CB LEU A 61 -6.253 14.020 16.550 1.00 0.00 C ATOM 957 CG LEU A 61 -7.523 14.016 17.400 1.00 0.00 C ATOM 958 CD1 LEU A 61 -7.403 13.011 18.535 1.00 0.00 C ATOM 959 CD2 LEU A 61 -7.804 15.409 17.946 1.00 0.00 C ATOM 0 H LEU A 61 -5.332 11.296 15.822 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.171 13.292 14.748 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.415 13.732 17.184 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.066 15.041 16.218 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.360 13.720 16.767 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.317 13.022 19.129 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.251 12.013 18.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.556 13.276 19.167 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.712 15.387 18.549 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.966 15.734 18.563 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.935 16.105 17.117 1.00 0.00 H new ATOM 971 N LYS A 62 -4.724 12.477 13.558 1.00 0.00 N ATOM 972 CA LYS A 62 -3.598 12.648 12.648 1.00 0.00 C ATOM 973 C LYS A 62 -3.990 12.279 11.221 1.00 0.00 C ATOM 974 O LYS A 62 -3.671 12.999 10.274 1.00 0.00 O ATOM 975 CB LYS A 62 -2.414 11.790 13.101 1.00 0.00 C ATOM 976 CG LYS A 62 -1.492 12.495 14.080 1.00 0.00 C ATOM 977 CD LYS A 62 -0.074 11.955 13.998 1.00 0.00 C ATOM 978 CE LYS A 62 0.024 10.553 14.581 1.00 0.00 C ATOM 979 NZ LYS A 62 1.160 10.427 15.534 1.00 0.00 N ATOM 0 H LYS A 62 -5.214 11.588 13.459 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.306 13.698 12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.793 10.878 13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.839 11.488 12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.488 13.565 13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.872 12.370 15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.251 11.941 12.958 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.602 12.621 14.534 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.907 10.306 15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.146 9.831 13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.965 9.658 16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.032 10.215 15.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.277 11.320 16.054 1.00 0.00 H new ATOM 993 N ILE A 63 -4.683 11.155 11.075 1.00 0.00 N ATOM 994 CA ILE A 63 -5.120 10.692 9.763 1.00 0.00 C ATOM 995 C ILE A 63 -6.109 11.670 9.138 1.00 0.00 C ATOM 996 O ILE A 63 -6.393 11.602 7.942 1.00 0.00 O ATOM 997 CB ILE A 63 -5.774 9.300 9.846 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.732 8.245 10.223 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.439 8.948 8.524 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.451 8.176 11.707 1.00 0.00 C ATOM 0 H ILE A 63 -4.954 10.548 11.849 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.230 10.629 9.137 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.540 9.320 10.621 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.075 7.269 9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.803 8.459 9.695 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.897 7.962 8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.206 9.688 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.691 8.942 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.703 7.407 11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.077 9.140 12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.370 7.931 12.240 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.630 12.580 9.954 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.587 13.574 9.480 1.00 0.00 C ATOM 1014 C ASN A 64 -7.107 14.216 8.182 1.00 0.00 C ATOM 1015 O ASN A 64 -7.900 14.490 7.281 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.804 14.651 10.545 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.679 15.668 10.577 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.896 16.857 10.343 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.470 15.203 10.868 1.00 0.00 N ATOM 0 H ASN A 64 -6.406 12.650 10.947 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.533 13.068 9.286 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.747 15.163 10.353 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.891 14.178 11.523 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.674 15.840 10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.337 14.209 11.055 1.00 0.00 H new ATOM 1026 N THR A 65 -5.802 14.453 8.093 1.00 0.00 N ATOM 1027 CA THR A 65 -5.215 15.063 6.906 1.00 0.00 C ATOM 1028 C THR A 65 -4.456 14.033 6.077 1.00 0.00 C ATOM 1029 O THR A 65 -3.527 13.390 6.567 1.00 0.00 O ATOM 1030 CB THR A 65 -4.259 16.211 7.279 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.042 15.681 7.815 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.903 17.143 8.294 1.00 0.00 C ATOM 0 H THR A 65 -5.131 14.232 8.829 1.00 0.00 H new ATOM 0 HA THR A 65 -6.039 15.464 6.316 1.00 0.00 H new ATOM 0 HB THR A 65 -4.040 16.780 6.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.439 16.418 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.209 17.946 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.813 17.568 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.149 16.584 9.197 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.855 13.883 4.818 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.210 12.932 3.920 1.00 0.00 C ATOM 1042 C VAL A 66 -2.692 13.025 4.020 1.00 0.00 C ATOM 1043 O VAL A 66 -1.990 12.021 3.897 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.633 13.166 2.458 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.881 12.226 1.528 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.137 12.992 2.304 1.00 0.00 C ATOM 0 H VAL A 66 -5.622 14.408 4.397 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.531 11.937 4.228 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.379 14.190 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.193 12.406 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.810 12.404 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.101 11.193 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.418 13.161 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.418 11.980 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.653 13.710 2.941 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.192 14.236 4.243 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.756 14.459 4.359 1.00 0.00 C ATOM 1058 C GLN A 67 -0.197 13.777 5.604 1.00 0.00 C ATOM 1059 O GLN A 67 0.739 12.983 5.521 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.454 15.958 4.406 1.00 0.00 C ATOM 1061 CG GLN A 67 0.760 16.360 3.583 1.00 0.00 C ATOM 1062 CD GLN A 67 2.060 16.200 4.346 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.561 17.150 4.948 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.616 14.994 4.324 1.00 0.00 N ATOM 0 H GLN A 67 -2.760 15.077 4.347 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.275 14.025 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.324 16.507 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.295 16.256 5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.797 15.754 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.653 17.398 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.167 14.235 3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.492 14.827 4.819 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.778 14.093 6.756 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.339 13.510 8.019 1.00 0.00 C ATOM 1075 C ASP A 68 -0.606 12.009 8.046 1.00 0.00 C ATOM 1076 O ASP A 68 0.124 11.250 8.682 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.048 14.188 9.192 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.578 13.663 10.534 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.466 12.979 10.571 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.254 13.936 11.548 1.00 0.00 O ATOM 0 H ASP A 68 -1.554 14.749 6.842 1.00 0.00 H new ATOM 0 HA ASP A 68 0.735 13.672 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.875 15.263 9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.123 14.034 9.101 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.658 11.587 7.351 1.00 0.00 N ATOM 1086 CA ALA A 69 -2.021 10.177 7.295 1.00 0.00 C ATOM 1087 C ALA A 69 -0.885 9.340 6.716 1.00 0.00 C ATOM 1088 O ALA A 69 -0.292 8.515 7.411 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.288 9.990 6.474 1.00 0.00 C ATOM 0 H ALA A 69 -2.273 12.202 6.819 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.207 9.835 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.547 8.932 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.104 10.549 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.122 10.355 5.460 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.587 9.559 5.439 1.00 0.00 N ATOM 1096 CA ILE A 70 0.478 8.825 4.768 1.00 0.00 C ATOM 1097 C ILE A 70 1.820 9.048 5.458 1.00 0.00 C ATOM 1098 O ILE A 70 2.721 8.214 5.371 1.00 0.00 O ATOM 1099 CB ILE A 70 0.600 9.237 3.289 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.859 8.628 2.669 1.00 0.00 C ATOM 1101 CG2 ILE A 70 0.620 10.753 3.161 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.896 7.117 2.735 1.00 0.00 C ATOM 0 H ILE A 70 -1.068 10.238 4.849 1.00 0.00 H new ATOM 0 HA ILE A 70 0.215 7.769 4.823 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.268 8.858 2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.928 8.940 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.735 9.027 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.707 11.028 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.303 11.165 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.471 11.153 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.817 6.755 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.859 6.797 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.039 6.708 2.199 1.00 0.00 H new ATOM 1114 N ASP A 71 1.944 10.178 6.145 1.00 0.00 N ATOM 1115 CA ASP A 71 3.175 10.511 6.853 1.00 0.00 C ATOM 1116 C ASP A 71 3.250 9.774 8.187 1.00 0.00 C ATOM 1117 O ASP A 71 4.336 9.553 8.725 1.00 0.00 O ATOM 1118 CB ASP A 71 3.263 12.020 7.085 1.00 0.00 C ATOM 1119 CG ASP A 71 4.324 12.389 8.103 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.509 12.072 7.867 1.00 0.00 O ATOM 1121 OD2 ASP A 71 3.969 12.995 9.135 1.00 0.00 O ATOM 0 H ASP A 71 1.208 10.879 6.227 1.00 0.00 H new ATOM 0 HA ASP A 71 4.017 10.197 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.482 12.518 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.295 12.390 7.423 1.00 0.00 H new ATOM 1126 N TYR A 72 2.091 9.398 8.715 1.00 0.00 N ATOM 1127 CA TYR A 72 2.026 8.689 9.988 1.00 0.00 C ATOM 1128 C TYR A 72 2.341 7.208 9.803 1.00 0.00 C ATOM 1129 O TYR A 72 2.951 6.579 10.669 1.00 0.00 O ATOM 1130 CB TYR A 72 0.641 8.853 10.616 1.00 0.00 C ATOM 1131 CG TYR A 72 0.015 7.547 11.052 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.468 6.881 12.185 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.028 6.979 10.332 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.100 5.688 12.586 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.603 5.787 10.727 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.136 5.145 11.854 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.705 3.957 12.252 1.00 0.00 O ATOM 0 H TYR A 72 1.184 9.572 8.282 1.00 0.00 H new ATOM 0 HA TYR A 72 2.773 9.120 10.654 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.719 9.515 11.479 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.019 9.341 9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.278 7.304 12.761 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.396 7.478 9.448 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.265 5.183 13.468 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.414 5.360 10.156 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.422 3.713 11.630 1.00 0.00 H new ATOM 1147 N ILE A 73 1.921 6.657 8.669 1.00 0.00 N ATOM 1148 CA ILE A 73 2.160 5.251 8.369 1.00 0.00 C ATOM 1149 C ILE A 73 3.556 5.041 7.792 1.00 0.00 C ATOM 1150 O ILE A 73 4.150 3.976 7.952 1.00 0.00 O ATOM 1151 CB ILE A 73 1.118 4.703 7.376 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.333 5.313 5.989 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.291 4.989 7.874 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.157 4.442 5.067 1.00 0.00 C ATOM 0 H ILE A 73 1.414 7.163 7.943 1.00 0.00 H new ATOM 0 HA ILE A 73 2.074 4.708 9.310 1.00 0.00 H new ATOM 0 HB ILE A 73 1.243 3.623 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.363 5.499 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.825 6.280 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.016 4.596 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.439 4.511 8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.430 6.065 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.269 4.937 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.141 4.276 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.656 3.484 4.927 1.00 0.00 H new ATOM 1166 N GLU A 74 4.073 6.065 7.121 1.00 0.00 N ATOM 1167 CA GLU A 74 5.400 5.993 6.520 1.00 0.00 C ATOM 1168 C GLU A 74 6.483 6.256 7.562 1.00 0.00 C ATOM 1169 O GLU A 74 7.586 5.716 7.478 1.00 0.00 O ATOM 1170 CB GLU A 74 5.522 7.001 5.376 1.00 0.00 C ATOM 1171 CG GLU A 74 4.809 6.569 4.106 1.00 0.00 C ATOM 1172 CD GLU A 74 5.443 5.349 3.466 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.681 5.343 3.299 1.00 0.00 O ATOM 1174 OE2 GLU A 74 4.702 4.400 3.133 1.00 0.00 O ATOM 0 H GLU A 74 3.594 6.954 6.980 1.00 0.00 H new ATOM 0 HA GLU A 74 5.537 4.987 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.117 7.959 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.577 7.160 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.765 6.353 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.815 7.393 3.393 1.00 0.00 H new ATOM 1181 N LYS A 75 6.161 7.090 8.545 1.00 0.00 N ATOM 1182 CA LYS A 75 7.104 7.426 9.605 1.00 0.00 C ATOM 1183 C LYS A 75 7.219 6.286 10.612 1.00 0.00 C ATOM 1184 O LYS A 75 8.309 5.975 11.089 1.00 0.00 O ATOM 1185 CB LYS A 75 6.668 8.708 10.317 1.00 0.00 C ATOM 1186 CG LYS A 75 5.429 8.534 11.179 1.00 0.00 C ATOM 1187 CD LYS A 75 4.979 9.854 11.782 1.00 0.00 C ATOM 1188 CE LYS A 75 6.054 10.453 12.676 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.514 11.537 13.542 1.00 0.00 N ATOM 0 H LYS A 75 5.253 7.546 8.630 1.00 0.00 H new ATOM 0 HA LYS A 75 8.082 7.586 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.488 9.064 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.477 9.480 9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.623 8.114 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.637 7.821 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.735 10.555 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.068 9.699 12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.485 9.670 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.861 10.849 12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.277 11.919 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.125 12.296 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.762 11.154 14.149 1.00 0.00 H new ATOM 1203 N ASN A 76 6.087 5.667 10.930 1.00 0.00 N ATOM 1204 CA ASN A 76 6.061 4.561 11.880 1.00 0.00 C ATOM 1205 C ASN A 76 6.289 3.230 11.171 1.00 0.00 C ATOM 1206 O ASN A 76 7.372 2.651 11.249 1.00 0.00 O ATOM 1207 CB ASN A 76 4.725 4.533 12.625 1.00 0.00 C ATOM 1208 CG ASN A 76 4.861 4.965 14.073 1.00 0.00 C ATOM 1209 OD1 ASN A 76 5.338 4.207 14.917 1.00 0.00 O ATOM 1210 ND2 ASN A 76 4.440 6.191 14.365 1.00 0.00 N ATOM 0 H ASN A 76 5.175 5.913 10.544 1.00 0.00 H new ATOM 0 HA ASN A 76 6.867 4.712 12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.016 5.188 12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.312 3.525 12.587 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.506 6.538 15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.051 6.785 13.632 1.00 0.00 H new ATOM 1217 N ASN A 77 5.260 2.750 10.480 1.00 0.00 N ATOM 1218 CA ASN A 77 5.348 1.486 9.757 1.00 0.00 C ATOM 1219 C ASN A 77 6.578 1.461 8.853 1.00 0.00 C ATOM 1220 O ASN A 77 7.298 0.465 8.794 1.00 0.00 O ATOM 1221 CB ASN A 77 4.085 1.262 8.924 1.00 0.00 C ATOM 1222 CG ASN A 77 3.462 -0.098 9.172 1.00 0.00 C ATOM 1223 OD1 ASN A 77 3.430 -0.950 8.284 1.00 0.00 O ATOM 1224 ND2 ASN A 77 2.963 -0.307 10.385 1.00 0.00 N ATOM 0 H ASN A 77 4.356 3.217 10.405 1.00 0.00 H new ATOM 0 HA ASN A 77 5.440 0.683 10.489 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.357 2.040 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.329 1.359 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.531 -1.203 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.012 0.428 11.090 1.00 0.00 H new