USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 599 hydrogens (27 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.46 K(o=-0.46,f=-3.2!) USER MOD Single : A 4 TYR OH : rot 180:sc= -1.83! USER MOD Single : A 5 ASN : amide:sc=-0.00249 X(o=-0.0025,f=0) USER MOD Single : A 8 ASN : amide:sc= -1.57 K(o=-1.6,f=0.12) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.285 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.0348 (180deg=-0.483) USER MOD Single : A 15 THR OG1 : rot 94:sc= 0.153 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 85:sc= 0.326 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.381 (180deg=-0.73) USER MOD Single : A 34 GLN : amide:sc= -0.392 K(o=-0.39,f=-3.8!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.62! C(o=-3.6!,f=-10!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.016) USER MOD Single : A 44 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.16) USER MOD Single : A 46 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 52 THR OG1 : rot 99:sc= 0.857 USER MOD Single : A 57 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.25) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.0079 USER MOD Single : A 61 TYR OH : rot 150:sc= -3.02! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -128:sc= 1.17 (180deg=-0.64) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -3.09 K(o=-3.1,f=-6.3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.943! C(o=-0.94!,f=-1.6!) USER MOD Single : A 77 ASN : amide:sc= -1.85! C(o=-1.9!,f=-8.1!) USER MOD Single : A 78 NAG O3 : rot 148:sc= 0.811 USER MOD Single : A 78 NAG O6 : rot -28:sc= 0.308 USER MOD Single : A 79 NAG O3 : rot 146:sc= 0.0083 USER MOD Single : A 79 NAG O4 : rot 140:sc= -0.0372 USER MOD Single : A 79 NAG O6 : rot -104:sc= 0.0689 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.363 -12.064 -7.980 1.00 0.00 N ATOM 2 CA LEU A 1 3.348 -10.634 -8.399 1.00 0.00 C ATOM 3 C LEU A 1 3.847 -9.760 -7.246 1.00 0.00 C ATOM 4 O LEU A 1 3.249 -9.709 -6.189 1.00 0.00 O ATOM 5 CB LEU A 1 1.922 -10.225 -8.770 1.00 0.00 C ATOM 6 CG LEU A 1 1.962 -9.243 -9.942 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.296 -9.997 -11.230 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.597 -8.566 -10.087 1.00 0.00 C ATOM 0 H1 LEU A 1 3.024 -12.659 -8.763 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.333 -12.342 -7.729 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.742 -12.191 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 1 3.999 -10.502 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.338 -11.105 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.429 -9.765 -7.913 1.00 0.00 H new ATOM 0 HG LEU A 1 2.725 -8.487 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.324 -9.297 -12.065 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.268 -10.479 -11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.534 -10.753 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.625 -7.866 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.166 -9.322 -10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.359 -8.027 -9.170 1.00 0.00 H new ATOM 22 N GLN A 2 4.938 -9.070 -7.440 1.00 0.00 N ATOM 23 CA GLN A 2 5.475 -8.201 -6.357 1.00 0.00 C ATOM 24 C GLN A 2 5.119 -6.744 -6.643 1.00 0.00 C ATOM 25 O GLN A 2 4.760 -6.383 -7.744 1.00 0.00 O ATOM 26 CB GLN A 2 6.997 -8.355 -6.290 1.00 0.00 C ATOM 27 CG GLN A 2 7.346 -9.633 -5.523 1.00 0.00 C ATOM 28 CD GLN A 2 7.973 -10.650 -6.481 1.00 0.00 C ATOM 29 OE1 GLN A 2 7.982 -10.448 -7.679 1.00 0.00 O ATOM 30 NE2 GLN A 2 8.500 -11.742 -5.998 1.00 0.00 N ATOM 0 H GLN A 2 5.481 -9.071 -8.304 1.00 0.00 H new ATOM 0 HA GLN A 2 5.037 -8.496 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.414 -8.396 -7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.440 -7.490 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.039 -9.406 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.449 -10.052 -5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.492 -11.911 -4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.920 -12.427 -6.626 1.00 0.00 H new ATOM 39 N CYS A 3 5.213 -5.908 -5.650 1.00 0.00 N ATOM 40 CA CYS A 3 4.882 -4.469 -5.846 1.00 0.00 C ATOM 41 C CYS A 3 5.647 -3.626 -4.823 1.00 0.00 C ATOM 42 O CYS A 3 6.512 -4.118 -4.125 1.00 0.00 O ATOM 43 CB CYS A 3 3.382 -4.261 -5.658 1.00 0.00 C ATOM 44 SG CYS A 3 2.487 -5.018 -7.037 1.00 0.00 S ATOM 0 H CYS A 3 5.506 -6.159 -4.706 1.00 0.00 H new ATOM 0 HA CYS A 3 5.167 -4.165 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.059 -4.702 -4.715 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.156 -3.196 -5.605 1.00 0.00 H new ATOM 49 N TYR A 4 5.339 -2.362 -4.729 1.00 0.00 N ATOM 50 CA TYR A 4 6.051 -1.493 -3.751 1.00 0.00 C ATOM 51 C TYR A 4 5.060 -0.990 -2.698 1.00 0.00 C ATOM 52 O TYR A 4 4.494 0.079 -2.825 1.00 0.00 O ATOM 53 CB TYR A 4 6.665 -0.297 -4.484 1.00 0.00 C ATOM 54 CG TYR A 4 7.631 -0.790 -5.537 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.572 -1.776 -5.217 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.584 -0.260 -6.831 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.467 -2.232 -6.193 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.479 -0.715 -7.807 1.00 0.00 C ATOM 59 CZ TYR A 4 9.420 -1.700 -7.488 1.00 0.00 C ATOM 60 OH TYR A 4 10.304 -2.147 -8.450 1.00 0.00 O ATOM 0 H TYR A 4 4.625 -1.894 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 4 6.840 -2.066 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.880 0.301 -4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.182 0.350 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.608 -2.185 -4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.857 0.500 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.193 -2.993 -5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.443 -0.306 -8.806 1.00 0.00 H new ATOM 0 HH TYR A 4 10.136 -1.676 -9.293 1.00 0.00 H new ATOM 70 N ASN A 5 4.843 -1.750 -1.660 1.00 0.00 N ATOM 71 CA ASN A 5 3.887 -1.311 -0.603 1.00 0.00 C ATOM 72 C ASN A 5 4.544 -0.243 0.273 1.00 0.00 C ATOM 73 O ASN A 5 5.676 -0.379 0.694 1.00 0.00 O ATOM 74 CB ASN A 5 3.497 -2.511 0.262 1.00 0.00 C ATOM 75 CG ASN A 5 1.998 -2.454 0.566 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.602 -2.173 1.679 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.142 -2.710 -0.386 1.00 0.00 N ATOM 0 H ASN A 5 5.285 -2.655 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 5 2.995 -0.895 -1.072 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.739 -3.440 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.068 -2.505 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.141 -2.674 -0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.475 -2.946 -1.321 1.00 0.00 H new ATOM 84 N CYS A 6 3.841 0.821 0.553 1.00 0.00 N ATOM 85 CA CYS A 6 4.421 1.898 1.403 1.00 0.00 C ATOM 86 C CYS A 6 3.329 2.478 2.307 1.00 0.00 C ATOM 87 O CYS A 6 2.156 2.356 2.015 1.00 0.00 O ATOM 88 CB CYS A 6 4.987 3.004 0.510 1.00 0.00 C ATOM 89 SG CYS A 6 5.826 2.256 -0.909 1.00 0.00 S ATOM 0 H CYS A 6 2.889 0.990 0.229 1.00 0.00 H new ATOM 0 HA CYS A 6 5.220 1.485 2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.185 3.658 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.684 3.622 1.075 1.00 0.00 H new ATOM 94 N PRO A 7 3.752 3.087 3.385 1.00 0.00 N ATOM 95 CA PRO A 7 2.835 3.696 4.364 1.00 0.00 C ATOM 96 C PRO A 7 2.318 5.045 3.857 1.00 0.00 C ATOM 97 O PRO A 7 1.454 5.652 4.459 1.00 0.00 O ATOM 98 CB PRO A 7 3.712 3.881 5.606 1.00 0.00 C ATOM 99 CG PRO A 7 5.176 3.906 5.107 1.00 0.00 C ATOM 100 CD PRO A 7 5.183 3.226 3.725 1.00 0.00 C ATOM 0 HA PRO A 7 1.950 3.089 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.462 4.807 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.557 3.068 6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.544 4.930 5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.831 3.379 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.711 3.829 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.680 2.257 3.760 1.00 0.00 H new ATOM 108 N ASN A 8 2.838 5.523 2.759 1.00 0.00 N ATOM 109 CA ASN A 8 2.368 6.834 2.227 1.00 0.00 C ATOM 110 C ASN A 8 2.537 6.868 0.708 1.00 0.00 C ATOM 111 O ASN A 8 3.392 6.196 0.164 1.00 0.00 O ATOM 112 CB ASN A 8 3.188 7.963 2.857 1.00 0.00 C ATOM 113 CG ASN A 8 2.349 8.675 3.921 1.00 0.00 C ATOM 114 OD1 ASN A 8 1.614 8.043 4.654 1.00 0.00 O ATOM 115 ND2 ASN A 8 2.430 9.972 4.038 1.00 0.00 N ATOM 0 H ASN A 8 3.565 5.065 2.209 1.00 0.00 H new ATOM 0 HA ASN A 8 1.314 6.965 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.096 7.560 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.499 8.672 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.876 10.456 4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.047 10.502 3.423 1.00 0.00 H new ATOM 122 N PRO A 9 1.714 7.659 0.067 1.00 0.00 N ATOM 123 CA PRO A 9 1.742 7.815 -1.397 1.00 0.00 C ATOM 124 C PRO A 9 2.901 8.722 -1.804 1.00 0.00 C ATOM 125 O PRO A 9 2.736 9.903 -2.036 1.00 0.00 O ATOM 126 CB PRO A 9 0.392 8.464 -1.716 1.00 0.00 C ATOM 127 CG PRO A 9 -0.080 9.150 -0.413 1.00 0.00 C ATOM 128 CD PRO A 9 0.680 8.470 0.742 1.00 0.00 C ATOM 0 HA PRO A 9 1.888 6.876 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.491 9.190 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.330 7.717 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.131 10.219 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.157 9.041 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.125 9.205 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.017 7.849 1.344 1.00 0.00 H new ATOM 136 N THR A 10 4.076 8.170 -1.884 1.00 0.00 N ATOM 137 CA THR A 10 5.265 8.985 -2.266 1.00 0.00 C ATOM 138 C THR A 10 5.637 8.707 -3.724 1.00 0.00 C ATOM 139 O THR A 10 5.155 7.773 -4.334 1.00 0.00 O ATOM 140 CB THR A 10 6.442 8.615 -1.362 1.00 0.00 C ATOM 141 OG1 THR A 10 7.604 9.311 -1.791 1.00 0.00 O ATOM 142 CG2 THR A 10 6.688 7.107 -1.437 1.00 0.00 C ATOM 0 H THR A 10 4.268 7.185 -1.701 1.00 0.00 H new ATOM 0 HA THR A 10 5.030 10.043 -2.151 1.00 0.00 H new ATOM 0 HB THR A 10 6.214 8.892 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.359 9.076 -1.211 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.527 6.843 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.795 6.576 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.917 6.826 -2.465 1.00 0.00 H new ATOM 150 N ALA A 11 6.499 9.512 -4.287 1.00 0.00 N ATOM 151 CA ALA A 11 6.912 9.299 -5.703 1.00 0.00 C ATOM 152 C ALA A 11 8.359 8.804 -5.737 1.00 0.00 C ATOM 153 O ALA A 11 9.110 9.106 -6.642 1.00 0.00 O ATOM 154 CB ALA A 11 6.805 10.620 -6.470 1.00 0.00 C ATOM 0 H ALA A 11 6.935 10.310 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 11 6.261 8.558 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.107 10.465 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.775 10.975 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.457 11.362 -6.009 1.00 0.00 H new ATOM 160 N ASP A 12 8.750 8.045 -4.753 1.00 0.00 N ATOM 161 CA ASP A 12 10.145 7.523 -4.713 1.00 0.00 C ATOM 162 C ASP A 12 10.224 6.390 -3.689 1.00 0.00 C ATOM 163 O ASP A 12 11.177 6.276 -2.944 1.00 0.00 O ATOM 164 CB ASP A 12 11.101 8.645 -4.304 1.00 0.00 C ATOM 165 CG ASP A 12 12.525 8.286 -4.728 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.682 7.744 -5.810 1.00 0.00 O ATOM 167 OD2 ASP A 12 13.436 8.557 -3.964 1.00 0.00 O ATOM 0 H ASP A 12 8.161 7.762 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 12 10.426 7.152 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.798 9.583 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.059 8.797 -3.225 1.00 0.00 H new ATOM 172 N CYS A 13 9.220 5.559 -3.642 1.00 0.00 N ATOM 173 CA CYS A 13 9.222 4.438 -2.663 1.00 0.00 C ATOM 174 C CYS A 13 10.055 3.273 -3.206 1.00 0.00 C ATOM 175 O CYS A 13 10.201 3.103 -4.400 1.00 0.00 O ATOM 176 CB CYS A 13 7.784 3.972 -2.435 1.00 0.00 C ATOM 177 SG CYS A 13 7.676 3.063 -0.875 1.00 0.00 S ATOM 0 H CYS A 13 8.396 5.609 -4.241 1.00 0.00 H new ATOM 0 HA CYS A 13 9.656 4.778 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.113 4.830 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.463 3.336 -3.260 1.00 0.00 H new ATOM 182 N LYS A 14 10.595 2.468 -2.332 1.00 0.00 N ATOM 183 CA LYS A 14 11.414 1.308 -2.783 1.00 0.00 C ATOM 184 C LYS A 14 11.188 0.141 -1.821 1.00 0.00 C ATOM 185 O LYS A 14 12.120 -0.486 -1.358 1.00 0.00 O ATOM 186 CB LYS A 14 12.895 1.695 -2.780 1.00 0.00 C ATOM 187 CG LYS A 14 13.659 0.809 -3.768 1.00 0.00 C ATOM 188 CD LYS A 14 13.834 1.555 -5.093 1.00 0.00 C ATOM 189 CE LYS A 14 15.291 1.453 -5.547 1.00 0.00 C ATOM 190 NZ LYS A 14 15.678 0.019 -5.663 1.00 0.00 N ATOM 0 H LYS A 14 10.503 2.565 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 14 11.122 1.018 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.008 2.744 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.309 1.581 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.633 0.543 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.117 -0.123 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.175 1.131 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.551 2.601 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.420 1.954 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.941 1.959 -4.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.414 -0.084 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.044 -0.317 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.846 -0.545 -5.931 1.00 0.00 H new ATOM 204 N THR A 15 9.953 -0.147 -1.511 1.00 0.00 N ATOM 205 CA THR A 15 9.657 -1.264 -0.570 1.00 0.00 C ATOM 206 C THR A 15 9.124 -2.469 -1.348 1.00 0.00 C ATOM 207 O THR A 15 7.958 -2.797 -1.277 1.00 0.00 O ATOM 208 CB THR A 15 8.599 -0.803 0.435 1.00 0.00 C ATOM 209 OG1 THR A 15 9.037 0.390 1.068 1.00 0.00 O ATOM 210 CG2 THR A 15 8.378 -1.891 1.484 1.00 0.00 C ATOM 0 H THR A 15 9.135 0.345 -1.870 1.00 0.00 H new ATOM 0 HA THR A 15 10.569 -1.550 -0.046 1.00 0.00 H new ATOM 0 HB THR A 15 7.661 -0.613 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.681 1.166 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.624 -1.560 2.198 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.038 -2.804 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.313 -2.086 2.008 1.00 0.00 H new ATOM 218 N ALA A 16 9.969 -3.133 -2.088 1.00 0.00 N ATOM 219 CA ALA A 16 9.503 -4.317 -2.864 1.00 0.00 C ATOM 220 C ALA A 16 8.964 -5.377 -1.902 1.00 0.00 C ATOM 221 O ALA A 16 9.534 -5.631 -0.858 1.00 0.00 O ATOM 222 CB ALA A 16 10.671 -4.896 -3.662 1.00 0.00 C ATOM 0 H ALA A 16 10.959 -2.908 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 16 8.712 -4.014 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.330 -5.762 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.053 -4.140 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.464 -5.199 -2.978 1.00 0.00 H new ATOM 228 N VAL A 17 7.867 -5.997 -2.241 1.00 0.00 N ATOM 229 CA VAL A 17 7.288 -7.039 -1.346 1.00 0.00 C ATOM 230 C VAL A 17 6.306 -7.902 -2.142 1.00 0.00 C ATOM 231 O VAL A 17 5.678 -7.441 -3.074 1.00 0.00 O ATOM 232 CB VAL A 17 6.549 -6.358 -0.193 1.00 0.00 C ATOM 233 CG1 VAL A 17 7.566 -5.782 0.794 1.00 0.00 C ATOM 234 CG2 VAL A 17 5.681 -5.225 -0.744 1.00 0.00 C ATOM 0 H VAL A 17 7.346 -5.827 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 17 8.085 -7.667 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 17 5.919 -7.087 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.040 -5.296 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.188 -6.586 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.195 -5.052 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.154 -4.739 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.313 -4.496 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.957 -5.632 -1.450 1.00 0.00 H new ATOM 244 N ASN A 18 6.164 -9.150 -1.786 1.00 0.00 N ATOM 245 CA ASN A 18 5.212 -10.023 -2.535 1.00 0.00 C ATOM 246 C ASN A 18 3.784 -9.709 -2.086 1.00 0.00 C ATOM 247 O ASN A 18 3.438 -9.869 -0.932 1.00 0.00 O ATOM 248 CB ASN A 18 5.502 -11.508 -2.267 1.00 0.00 C ATOM 249 CG ASN A 18 6.913 -11.702 -1.703 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.103 -12.409 -0.734 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.901 -11.088 -2.299 1.00 0.00 N ATOM 0 H ASN A 18 6.660 -9.601 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 18 5.330 -9.829 -3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.769 -11.904 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.396 -12.075 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.719 -10.499 -3.112 1.00 0.00 H new ATOM 257 N CYS A 19 2.948 -9.269 -2.987 1.00 0.00 N ATOM 258 CA CYS A 19 1.543 -8.952 -2.602 1.00 0.00 C ATOM 259 C CYS A 19 0.904 -10.190 -1.969 1.00 0.00 C ATOM 260 O CYS A 19 1.038 -11.292 -2.464 1.00 0.00 O ATOM 261 CB CYS A 19 0.751 -8.545 -3.848 1.00 0.00 C ATOM 262 SG CYS A 19 1.345 -6.942 -4.445 1.00 0.00 S ATOM 0 H CYS A 19 3.176 -9.116 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 19 1.535 -8.130 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.864 -9.300 -4.626 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.312 -8.486 -3.613 1.00 0.00 H new ATOM 267 N SER A 20 0.212 -10.018 -0.875 1.00 0.00 N ATOM 268 CA SER A 20 -0.431 -11.186 -0.209 1.00 0.00 C ATOM 269 C SER A 20 -1.537 -11.748 -1.105 1.00 0.00 C ATOM 270 O SER A 20 -1.757 -11.278 -2.204 1.00 0.00 O ATOM 271 CB SER A 20 -1.031 -10.741 1.125 1.00 0.00 C ATOM 272 OG SER A 20 -0.614 -11.636 2.149 1.00 0.00 O ATOM 0 H SER A 20 0.065 -9.120 -0.414 1.00 0.00 H new ATOM 0 HA SER A 20 0.317 -11.960 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.711 -9.726 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.119 -10.725 1.061 1.00 0.00 H new ATOM 0 HG SER A 20 -0.995 -11.353 3.006 1.00 0.00 H new ATOM 278 N SER A 21 -2.233 -12.751 -0.644 1.00 0.00 N ATOM 279 CA SER A 21 -3.325 -13.344 -1.468 1.00 0.00 C ATOM 280 C SER A 21 -4.298 -12.244 -1.893 1.00 0.00 C ATOM 281 O SER A 21 -4.254 -11.136 -1.395 1.00 0.00 O ATOM 282 CB SER A 21 -4.071 -14.395 -0.645 1.00 0.00 C ATOM 283 OG SER A 21 -5.175 -13.782 0.007 1.00 0.00 O ATOM 0 H SER A 21 -2.093 -13.186 0.268 1.00 0.00 H new ATOM 0 HA SER A 21 -2.898 -13.813 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.417 -15.202 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.401 -14.841 0.090 1.00 0.00 H new ATOM 0 HG SER A 21 -5.942 -13.758 -0.602 1.00 0.00 H new ATOM 289 N ASP A 22 -5.178 -12.539 -2.811 1.00 0.00 N ATOM 290 CA ASP A 22 -6.153 -11.508 -3.266 1.00 0.00 C ATOM 291 C ASP A 22 -5.392 -10.313 -3.845 1.00 0.00 C ATOM 292 O ASP A 22 -5.721 -9.171 -3.590 1.00 0.00 O ATOM 293 CB ASP A 22 -7.001 -11.048 -2.079 1.00 0.00 C ATOM 294 CG ASP A 22 -8.006 -12.143 -1.717 1.00 0.00 C ATOM 295 OD1 ASP A 22 -8.976 -12.292 -2.442 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.789 -12.814 -0.721 1.00 0.00 O ATOM 0 H ASP A 22 -5.264 -13.448 -3.265 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.803 -11.932 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.361 -10.829 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.526 -10.126 -2.329 1.00 0.00 H new ATOM 301 N PHE A 23 -4.375 -10.567 -4.623 1.00 0.00 N ATOM 302 CA PHE A 23 -3.593 -9.447 -5.218 1.00 0.00 C ATOM 303 C PHE A 23 -2.820 -9.957 -6.437 1.00 0.00 C ATOM 304 O PHE A 23 -1.681 -10.365 -6.335 1.00 0.00 O ATOM 305 CB PHE A 23 -2.607 -8.907 -4.180 1.00 0.00 C ATOM 306 CG PHE A 23 -3.360 -8.143 -3.118 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.021 -6.953 -3.447 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.401 -8.627 -1.805 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.721 -6.247 -2.462 1.00 0.00 C ATOM 310 CE2 PHE A 23 -4.102 -7.920 -0.820 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.761 -6.730 -1.149 1.00 0.00 C ATOM 0 H PHE A 23 -4.052 -11.502 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.272 -8.651 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.053 -9.729 -3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.876 -8.257 -4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.991 -6.580 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.892 -9.545 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.231 -5.329 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.134 -8.293 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.301 -6.184 -0.389 1.00 0.00 H new ATOM 321 N ASP A 24 -3.432 -9.937 -7.589 1.00 0.00 N ATOM 322 CA ASP A 24 -2.731 -10.423 -8.811 1.00 0.00 C ATOM 323 C ASP A 24 -2.507 -9.255 -9.774 1.00 0.00 C ATOM 324 O ASP A 24 -1.821 -9.383 -10.769 1.00 0.00 O ATOM 325 CB ASP A 24 -3.581 -11.492 -9.498 1.00 0.00 C ATOM 326 CG ASP A 24 -2.666 -12.563 -10.097 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.225 -12.376 -11.219 1.00 0.00 O ATOM 328 OD2 ASP A 24 -2.422 -13.549 -9.423 1.00 0.00 O ATOM 0 H ASP A 24 -4.385 -9.606 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.769 -10.850 -8.528 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.266 -11.944 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.191 -11.040 -10.280 1.00 0.00 H new ATOM 333 N ALA A 25 -3.081 -8.120 -9.490 1.00 0.00 N ATOM 334 CA ALA A 25 -2.896 -6.951 -10.393 1.00 0.00 C ATOM 335 C ALA A 25 -2.286 -5.790 -9.610 1.00 0.00 C ATOM 336 O ALA A 25 -2.943 -5.155 -8.810 1.00 0.00 O ATOM 337 CB ALA A 25 -4.252 -6.520 -10.958 1.00 0.00 C ATOM 0 H ALA A 25 -3.669 -7.951 -8.674 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.231 -7.230 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.115 -5.664 -11.619 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.691 -7.345 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.916 -6.244 -10.139 1.00 0.00 H new ATOM 343 N CYS A 26 -1.035 -5.496 -9.839 1.00 0.00 N ATOM 344 CA CYS A 26 -0.399 -4.366 -9.111 1.00 0.00 C ATOM 345 C CYS A 26 -1.179 -3.094 -9.421 1.00 0.00 C ATOM 346 O CYS A 26 -1.781 -2.970 -10.466 1.00 0.00 O ATOM 347 CB CYS A 26 1.051 -4.207 -9.572 1.00 0.00 C ATOM 348 SG CYS A 26 2.030 -3.463 -8.243 1.00 0.00 S ATOM 0 H CYS A 26 -0.430 -5.988 -10.496 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.408 -4.559 -8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.466 -5.178 -9.844 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.094 -3.581 -10.463 1.00 0.00 H new ATOM 353 N LEU A 27 -1.190 -2.151 -8.529 1.00 0.00 N ATOM 354 CA LEU A 27 -1.953 -0.905 -8.803 1.00 0.00 C ATOM 355 C LEU A 27 -1.053 0.314 -8.638 1.00 0.00 C ATOM 356 O LEU A 27 -0.526 0.577 -7.575 1.00 0.00 O ATOM 357 CB LEU A 27 -3.134 -0.801 -7.836 1.00 0.00 C ATOM 358 CG LEU A 27 -3.817 0.559 -8.001 1.00 0.00 C ATOM 359 CD1 LEU A 27 -5.060 0.396 -8.877 1.00 0.00 C ATOM 360 CD2 LEU A 27 -4.226 1.092 -6.625 1.00 0.00 C ATOM 0 H LEU A 27 -0.710 -2.185 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.321 -0.938 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.847 -1.603 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.788 -0.923 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.129 1.261 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.550 1.362 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.768 0.013 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.749 -0.304 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.713 2.061 -6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.917 0.392 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.340 1.203 -6.000 1.00 0.00 H new ATOM 372 N ILE A 28 -0.902 1.078 -9.682 1.00 0.00 N ATOM 373 CA ILE A 28 -0.068 2.302 -9.595 1.00 0.00 C ATOM 374 C ILE A 28 -0.954 3.505 -9.922 1.00 0.00 C ATOM 375 O ILE A 28 -1.113 3.882 -11.067 1.00 0.00 O ATOM 376 CB ILE A 28 1.087 2.222 -10.593 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.780 3.585 -10.673 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.544 1.843 -11.970 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.288 3.385 -10.816 1.00 0.00 C ATOM 0 H ILE A 28 -1.323 0.905 -10.595 1.00 0.00 H new ATOM 0 HA ILE A 28 0.350 2.400 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 28 1.802 1.467 -10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.396 4.150 -11.522 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.563 4.168 -9.778 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.367 1.786 -12.682 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.047 0.875 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.170 2.598 -12.300 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.780 4.356 -10.873 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.666 2.837 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.495 2.819 -11.724 1.00 0.00 H new ATOM 391 N THR A 29 -1.547 4.091 -8.923 1.00 0.00 N ATOM 392 CA THR A 29 -2.441 5.256 -9.161 1.00 0.00 C ATOM 393 C THR A 29 -1.635 6.552 -9.037 1.00 0.00 C ATOM 394 O THR A 29 -0.628 6.607 -8.363 1.00 0.00 O ATOM 395 CB THR A 29 -3.572 5.226 -8.124 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.572 4.310 -8.550 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.193 6.615 -7.970 1.00 0.00 C ATOM 0 H THR A 29 -1.451 3.812 -7.947 1.00 0.00 H new ATOM 0 HA THR A 29 -2.868 5.208 -10.163 1.00 0.00 H new ATOM 0 HB THR A 29 -3.163 4.915 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.296 4.286 -7.890 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.993 6.576 -7.231 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.430 7.320 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.599 6.940 -8.928 1.00 0.00 H new ATOM 405 N LYS A 30 -2.074 7.591 -9.689 1.00 0.00 N ATOM 406 CA LYS A 30 -1.340 8.886 -9.614 1.00 0.00 C ATOM 407 C LYS A 30 -2.350 10.033 -9.538 1.00 0.00 C ATOM 408 O LYS A 30 -2.852 10.496 -10.542 1.00 0.00 O ATOM 409 CB LYS A 30 -0.470 9.055 -10.863 1.00 0.00 C ATOM 410 CG LYS A 30 0.750 9.915 -10.528 1.00 0.00 C ATOM 411 CD LYS A 30 1.685 9.966 -11.737 1.00 0.00 C ATOM 412 CE LYS A 30 1.515 11.305 -12.458 1.00 0.00 C ATOM 413 NZ LYS A 30 0.152 11.379 -13.054 1.00 0.00 N ATOM 0 H LYS A 30 -2.911 7.600 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.705 8.896 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.150 8.080 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.048 9.522 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.435 10.922 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.274 9.502 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.719 9.843 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.462 9.144 -12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.663 12.128 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.270 11.409 -13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.169 12.009 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.150 10.428 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.516 11.751 -12.349 1.00 0.00 H new ATOM 427 N ALA A 31 -2.658 10.489 -8.355 1.00 0.00 N ATOM 428 CA ALA A 31 -3.642 11.599 -8.221 1.00 0.00 C ATOM 429 C ALA A 31 -2.909 12.907 -7.909 1.00 0.00 C ATOM 430 O ALA A 31 -2.552 13.176 -6.779 1.00 0.00 O ATOM 431 CB ALA A 31 -4.618 11.279 -7.086 1.00 0.00 C ATOM 0 H ALA A 31 -2.272 10.142 -7.477 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.191 11.709 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.339 12.090 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.145 10.351 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.066 11.167 -6.153 1.00 0.00 H new ATOM 437 N GLY A 32 -2.687 13.724 -8.903 1.00 0.00 N ATOM 438 CA GLY A 32 -1.982 15.016 -8.664 1.00 0.00 C ATOM 439 C GLY A 32 -0.469 14.801 -8.728 1.00 0.00 C ATOM 440 O GLY A 32 0.069 14.411 -9.745 1.00 0.00 O ATOM 0 H GLY A 32 -2.963 13.553 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.286 15.750 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.260 15.418 -7.690 1.00 0.00 H new ATOM 444 N LEU A 33 0.221 15.055 -7.651 1.00 0.00 N ATOM 445 CA LEU A 33 1.699 14.869 -7.651 1.00 0.00 C ATOM 446 C LEU A 33 2.073 13.752 -6.674 1.00 0.00 C ATOM 447 O LEU A 33 3.166 13.717 -6.145 1.00 0.00 O ATOM 448 CB LEU A 33 2.373 16.174 -7.219 1.00 0.00 C ATOM 449 CG LEU A 33 3.733 16.304 -7.908 1.00 0.00 C ATOM 450 CD1 LEU A 33 3.550 16.939 -9.287 1.00 0.00 C ATOM 451 CD2 LEU A 33 4.647 17.188 -7.059 1.00 0.00 C ATOM 0 H LEU A 33 -0.175 15.384 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 33 2.034 14.600 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.741 17.024 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.500 16.188 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 33 4.180 15.316 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.519 17.031 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.896 16.312 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.104 17.927 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.617 17.283 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.198 18.175 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.778 16.737 -6.075 1.00 0.00 H new ATOM 463 N GLN A 34 1.172 12.839 -6.428 1.00 0.00 N ATOM 464 CA GLN A 34 1.475 11.725 -5.486 1.00 0.00 C ATOM 465 C GLN A 34 1.425 10.393 -6.237 1.00 0.00 C ATOM 466 O GLN A 34 1.115 10.344 -7.412 1.00 0.00 O ATOM 467 CB GLN A 34 0.437 11.714 -4.362 1.00 0.00 C ATOM 468 CG GLN A 34 1.032 12.363 -3.112 1.00 0.00 C ATOM 469 CD GLN A 34 0.034 13.367 -2.534 1.00 0.00 C ATOM 470 OE1 GLN A 34 -1.040 13.550 -3.070 1.00 0.00 O ATOM 471 NE2 GLN A 34 0.343 14.029 -1.453 1.00 0.00 N ATOM 0 H GLN A 34 0.239 12.817 -6.839 1.00 0.00 H new ATOM 0 HA GLN A 34 2.470 11.867 -5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.458 12.253 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.133 10.690 -4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.267 11.600 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.967 12.865 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.245 13.876 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.317 14.699 -1.059 1.00 0.00 H new ATOM 480 N VAL A 35 1.726 9.311 -5.573 1.00 0.00 N ATOM 481 CA VAL A 35 1.692 7.987 -6.256 1.00 0.00 C ATOM 482 C VAL A 35 1.254 6.907 -5.262 1.00 0.00 C ATOM 483 O VAL A 35 1.923 6.639 -4.285 1.00 0.00 O ATOM 484 CB VAL A 35 3.086 7.655 -6.792 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.076 6.256 -7.412 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.478 8.682 -7.859 1.00 0.00 C ATOM 0 H VAL A 35 1.994 9.286 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 35 0.984 8.024 -7.084 1.00 0.00 H new ATOM 0 HB VAL A 35 3.806 7.684 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.069 6.020 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.795 5.524 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.356 6.226 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.471 8.447 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.757 8.651 -8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.485 9.679 -7.419 1.00 0.00 H new ATOM 496 N TYR A 36 0.130 6.289 -5.506 1.00 0.00 N ATOM 497 CA TYR A 36 -0.359 5.228 -4.580 1.00 0.00 C ATOM 498 C TYR A 36 0.133 3.861 -5.059 1.00 0.00 C ATOM 499 O TYR A 36 -0.400 3.290 -5.990 1.00 0.00 O ATOM 500 CB TYR A 36 -1.889 5.233 -4.566 1.00 0.00 C ATOM 501 CG TYR A 36 -2.387 6.477 -3.872 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.326 6.572 -2.476 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.914 7.534 -4.622 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.791 7.724 -1.833 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.380 8.687 -3.979 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.318 8.782 -2.584 1.00 0.00 C ATOM 507 OH TYR A 36 -3.777 9.918 -1.949 1.00 0.00 O ATOM 0 H TYR A 36 -0.472 6.474 -6.309 1.00 0.00 H new ATOM 0 HA TYR A 36 0.021 5.422 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.272 5.196 -5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.261 4.346 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.920 5.756 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.961 7.460 -5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.744 7.798 -0.757 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.787 9.502 -4.559 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.109 10.554 -2.616 1.00 0.00 H new ATOM 517 N ASN A 37 1.141 3.326 -4.428 1.00 0.00 N ATOM 518 CA ASN A 37 1.657 1.993 -4.844 1.00 0.00 C ATOM 519 C ASN A 37 1.083 0.922 -3.914 1.00 0.00 C ATOM 520 O ASN A 37 1.552 0.729 -2.810 1.00 0.00 O ATOM 521 CB ASN A 37 3.185 1.984 -4.758 1.00 0.00 C ATOM 522 CG ASN A 37 3.749 3.093 -5.651 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.048 3.635 -6.482 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.995 3.454 -5.513 1.00 0.00 N ATOM 0 H ASN A 37 1.630 3.755 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 37 1.356 1.787 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.503 2.135 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.573 1.015 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.381 4.191 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.584 2.999 -4.815 1.00 0.00 H new ATOM 531 N LYS A 38 0.063 0.232 -4.347 1.00 0.00 N ATOM 532 CA LYS A 38 -0.547 -0.816 -3.481 1.00 0.00 C ATOM 533 C LYS A 38 -0.972 -2.009 -4.333 1.00 0.00 C ATOM 534 O LYS A 38 -1.150 -1.904 -5.531 1.00 0.00 O ATOM 535 CB LYS A 38 -1.777 -0.240 -2.776 1.00 0.00 C ATOM 536 CG LYS A 38 -1.339 0.577 -1.559 1.00 0.00 C ATOM 537 CD LYS A 38 -2.575 1.090 -0.816 1.00 0.00 C ATOM 538 CE LYS A 38 -2.882 2.521 -1.263 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.243 3.346 -0.076 1.00 0.00 N ATOM 0 H LYS A 38 -0.373 0.349 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 38 0.186 -1.141 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.341 0.389 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.441 -1.047 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.731 -0.038 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.718 1.415 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.429 0.443 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.403 1.063 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.016 2.950 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.701 2.521 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.452 4.319 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.081 2.940 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.448 3.356 0.595 1.00 0.00 H new ATOM 553 N CYS A 39 -1.149 -3.140 -3.714 1.00 0.00 N ATOM 554 CA CYS A 39 -1.578 -4.350 -4.469 1.00 0.00 C ATOM 555 C CYS A 39 -3.086 -4.266 -4.704 1.00 0.00 C ATOM 556 O CYS A 39 -3.834 -3.874 -3.831 1.00 0.00 O ATOM 557 CB CYS A 39 -1.255 -5.605 -3.657 1.00 0.00 C ATOM 558 SG CYS A 39 0.496 -5.598 -3.198 1.00 0.00 S ATOM 0 H CYS A 39 -1.015 -3.280 -2.713 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.052 -4.400 -5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.876 -5.641 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.485 -6.497 -4.240 1.00 0.00 H new ATOM 563 N TRP A 40 -3.543 -4.608 -5.877 1.00 0.00 N ATOM 564 CA TRP A 40 -4.997 -4.518 -6.149 1.00 0.00 C ATOM 565 C TRP A 40 -5.448 -5.721 -6.980 1.00 0.00 C ATOM 566 O TRP A 40 -4.667 -6.333 -7.682 1.00 0.00 O ATOM 567 CB TRP A 40 -5.261 -3.229 -6.921 1.00 0.00 C ATOM 568 CG TRP A 40 -6.632 -2.737 -6.618 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.757 -3.197 -7.199 1.00 0.00 C ATOM 570 CD2 TRP A 40 -7.041 -1.705 -5.676 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.839 -2.508 -6.678 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.448 -1.578 -5.734 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.334 -0.874 -4.788 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -9.132 -0.658 -4.936 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -7.019 0.051 -3.983 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.414 0.159 -4.058 1.00 0.00 C ATOM 0 H TRP A 40 -2.972 -4.944 -6.653 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.553 -4.516 -5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.524 -2.473 -6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.156 -3.406 -7.991 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.807 -3.974 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.807 -2.668 -6.957 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.258 -0.948 -4.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.207 -0.579 -4.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.467 0.683 -3.302 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.934 0.873 -3.437 1.00 0.00 H new ATOM 587 N LYS A 41 -6.705 -6.063 -6.906 1.00 0.00 N ATOM 588 CA LYS A 41 -7.213 -7.223 -7.689 1.00 0.00 C ATOM 589 C LYS A 41 -7.547 -6.763 -9.109 1.00 0.00 C ATOM 590 O LYS A 41 -7.747 -5.591 -9.359 1.00 0.00 O ATOM 591 CB LYS A 41 -8.476 -7.774 -7.023 1.00 0.00 C ATOM 592 CG LYS A 41 -8.665 -9.240 -7.415 1.00 0.00 C ATOM 593 CD LYS A 41 -9.633 -9.909 -6.437 1.00 0.00 C ATOM 594 CE LYS A 41 -9.086 -9.784 -5.013 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.995 -8.919 -4.206 1.00 0.00 N ATOM 0 H LYS A 41 -7.404 -5.587 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.452 -8.003 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.397 -7.684 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.344 -7.191 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.053 -9.309 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.705 -9.757 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.615 -9.441 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.762 -10.959 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.004 -10.770 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.083 -9.357 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.590 -8.778 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.105 -7.998 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.925 -9.377 -4.120 1.00 0.00 H new ATOM 609 N PHE A 42 -7.615 -7.674 -10.041 1.00 0.00 N ATOM 610 CA PHE A 42 -7.941 -7.277 -11.437 1.00 0.00 C ATOM 611 C PHE A 42 -9.451 -7.093 -11.561 1.00 0.00 C ATOM 612 O PHE A 42 -9.930 -6.319 -12.366 1.00 0.00 O ATOM 613 CB PHE A 42 -7.474 -8.366 -12.407 1.00 0.00 C ATOM 614 CG PHE A 42 -7.739 -7.930 -13.830 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.731 -6.569 -14.165 1.00 0.00 C ATOM 616 CD2 PHE A 42 -7.992 -8.890 -14.819 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.976 -6.170 -15.484 1.00 0.00 C ATOM 618 CE2 PHE A 42 -8.236 -8.490 -16.138 1.00 0.00 C ATOM 619 CZ PHE A 42 -8.228 -7.131 -16.471 1.00 0.00 C ATOM 0 H PHE A 42 -7.459 -8.672 -9.896 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.434 -6.343 -11.681 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.410 -8.558 -12.268 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.997 -9.300 -12.199 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.536 -5.827 -13.405 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.999 -9.939 -14.563 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.971 -5.121 -15.741 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.431 -9.231 -16.899 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.416 -6.823 -17.489 1.00 0.00 H new ATOM 629 N GLU A 43 -10.208 -7.796 -10.763 1.00 0.00 N ATOM 630 CA GLU A 43 -11.687 -7.658 -10.829 1.00 0.00 C ATOM 631 C GLU A 43 -12.079 -6.256 -10.364 1.00 0.00 C ATOM 632 O GLU A 43 -13.018 -5.665 -10.859 1.00 0.00 O ATOM 633 CB GLU A 43 -12.343 -8.701 -9.921 1.00 0.00 C ATOM 634 CG GLU A 43 -13.782 -8.945 -10.381 1.00 0.00 C ATOM 635 CD GLU A 43 -13.807 -10.087 -11.399 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.960 -10.961 -11.301 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.671 -10.067 -12.259 1.00 0.00 O ATOM 0 H GLU A 43 -9.864 -8.459 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.024 -7.814 -11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.777 -9.632 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.334 -8.356 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.411 -9.192 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.191 -8.038 -10.826 1.00 0.00 H new ATOM 644 N HIS A 44 -11.360 -5.715 -9.418 1.00 0.00 N ATOM 645 CA HIS A 44 -11.685 -4.349 -8.927 1.00 0.00 C ATOM 646 C HIS A 44 -10.842 -3.328 -9.690 1.00 0.00 C ATOM 647 O HIS A 44 -10.699 -2.193 -9.281 1.00 0.00 O ATOM 648 CB HIS A 44 -11.384 -4.254 -7.430 1.00 0.00 C ATOM 649 CG HIS A 44 -12.319 -5.151 -6.669 1.00 0.00 C ATOM 650 ND1 HIS A 44 -12.662 -4.910 -5.349 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.993 -6.291 -7.030 1.00 0.00 C ATOM 652 CE1 HIS A 44 -13.508 -5.883 -4.965 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.744 -6.752 -5.952 1.00 0.00 N ATOM 0 H HIS A 44 -10.562 -6.161 -8.965 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.743 -4.143 -9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.351 -4.542 -7.238 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.496 -3.224 -7.091 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.948 -6.759 -8.002 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.943 -5.953 -3.979 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -14.345 -7.576 -5.922 1.00 0.00 H new ATOM 661 N CYS A 45 -10.285 -3.726 -10.800 1.00 0.00 N ATOM 662 CA CYS A 45 -9.452 -2.785 -11.600 1.00 0.00 C ATOM 663 C CYS A 45 -10.344 -2.051 -12.601 1.00 0.00 C ATOM 664 O CYS A 45 -10.458 -2.441 -13.747 1.00 0.00 O ATOM 665 CB CYS A 45 -8.378 -3.571 -12.356 1.00 0.00 C ATOM 666 SG CYS A 45 -6.940 -3.815 -11.286 1.00 0.00 S ATOM 0 H CYS A 45 -10.371 -4.665 -11.189 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.974 -2.064 -10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.775 -4.535 -12.675 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.086 -3.033 -13.258 1.00 0.00 H new ATOM 671 N ASN A 46 -10.985 -0.996 -12.179 1.00 0.00 N ATOM 672 CA ASN A 46 -11.874 -0.248 -13.111 1.00 0.00 C ATOM 673 C ASN A 46 -11.925 1.227 -12.708 1.00 0.00 C ATOM 674 O ASN A 46 -11.185 1.675 -11.853 1.00 0.00 O ATOM 675 CB ASN A 46 -13.283 -0.842 -13.051 1.00 0.00 C ATOM 676 CG ASN A 46 -13.196 -2.367 -13.120 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.790 -2.919 -14.123 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.564 -3.076 -12.087 1.00 0.00 N ATOM 0 H ASN A 46 -10.932 -0.621 -11.232 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.484 -0.329 -14.126 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.779 -0.537 -12.130 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.884 -0.464 -13.878 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.511 -4.094 -12.122 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.905 -2.612 -11.245 1.00 0.00 H new ATOM 685 N PHE A 47 -12.793 1.985 -13.321 1.00 0.00 N ATOM 686 CA PHE A 47 -12.896 3.433 -12.978 1.00 0.00 C ATOM 687 C PHE A 47 -13.964 3.627 -11.900 1.00 0.00 C ATOM 688 O PHE A 47 -14.827 4.474 -12.013 1.00 0.00 O ATOM 689 CB PHE A 47 -13.288 4.223 -14.230 1.00 0.00 C ATOM 690 CG PHE A 47 -12.957 5.682 -14.028 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.722 6.051 -13.482 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.885 6.666 -14.390 1.00 0.00 C ATOM 693 CE1 PHE A 47 -11.416 7.403 -13.295 1.00 0.00 C ATOM 694 CE2 PHE A 47 -13.579 8.020 -14.203 1.00 0.00 C ATOM 695 CZ PHE A 47 -12.345 8.388 -13.655 1.00 0.00 C ATOM 0 H PHE A 47 -13.436 1.664 -14.045 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.935 3.789 -12.606 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.756 3.835 -15.099 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.353 4.105 -14.429 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.005 5.292 -13.205 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.837 6.381 -14.813 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.463 7.688 -12.873 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.295 8.779 -14.481 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.109 9.432 -13.510 1.00 0.00 H new ATOM 705 N ASN A 48 -13.913 2.849 -10.853 1.00 0.00 N ATOM 706 CA ASN A 48 -14.925 2.989 -9.770 1.00 0.00 C ATOM 707 C ASN A 48 -14.558 2.066 -8.607 1.00 0.00 C ATOM 708 O ASN A 48 -14.751 2.397 -7.454 1.00 0.00 O ATOM 709 CB ASN A 48 -16.306 2.610 -10.310 1.00 0.00 C ATOM 710 CG ASN A 48 -17.377 3.442 -9.603 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.557 4.605 -9.905 1.00 0.00 O ATOM 712 ND2 ASN A 48 -18.101 2.890 -8.668 1.00 0.00 N ATOM 0 H ASN A 48 -13.213 2.122 -10.702 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.944 4.021 -9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.347 2.783 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.492 1.548 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.819 3.435 -8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.949 1.914 -8.415 1.00 0.00 H new ATOM 719 N ASP A 49 -14.027 0.909 -8.897 1.00 0.00 N ATOM 720 CA ASP A 49 -13.647 -0.030 -7.805 1.00 0.00 C ATOM 721 C ASP A 49 -12.400 0.496 -7.096 1.00 0.00 C ATOM 722 O ASP A 49 -12.072 0.082 -6.002 1.00 0.00 O ATOM 723 CB ASP A 49 -13.354 -1.412 -8.394 1.00 0.00 C ATOM 724 CG ASP A 49 -14.666 -2.080 -8.808 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.512 -1.394 -9.356 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.802 -3.269 -8.570 1.00 0.00 O ATOM 0 H ASP A 49 -13.840 0.574 -9.842 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.468 -0.108 -7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.693 -1.319 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.835 -2.029 -7.660 1.00 0.00 H new ATOM 731 N VAL A 50 -11.700 1.410 -7.712 1.00 0.00 N ATOM 732 CA VAL A 50 -10.473 1.967 -7.076 1.00 0.00 C ATOM 733 C VAL A 50 -10.750 3.398 -6.611 1.00 0.00 C ATOM 734 O VAL A 50 -10.340 3.803 -5.542 1.00 0.00 O ATOM 735 CB VAL A 50 -9.330 1.969 -8.093 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.095 2.626 -7.474 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.998 0.527 -8.484 1.00 0.00 C ATOM 0 H VAL A 50 -11.926 1.795 -8.629 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.193 1.355 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.632 2.528 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.281 2.627 -8.199 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.331 3.652 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.791 2.068 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.184 0.525 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.696 -0.030 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.878 0.058 -8.925 1.00 0.00 H new ATOM 747 N THR A 51 -11.445 4.164 -7.405 1.00 0.00 N ATOM 748 CA THR A 51 -11.751 5.567 -7.006 1.00 0.00 C ATOM 749 C THR A 51 -12.728 5.560 -5.828 1.00 0.00 C ATOM 750 O THR A 51 -13.017 6.584 -5.242 1.00 0.00 O ATOM 751 CB THR A 51 -12.384 6.307 -8.187 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.423 5.512 -8.741 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.321 6.577 -9.254 1.00 0.00 C ATOM 0 H THR A 51 -11.814 3.880 -8.312 1.00 0.00 H new ATOM 0 HA THR A 51 -10.830 6.070 -6.713 1.00 0.00 H new ATOM 0 HB THR A 51 -12.796 7.255 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.830 5.986 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.774 7.104 -10.094 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.525 7.189 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.905 5.631 -9.601 1.00 0.00 H new ATOM 761 N THR A 52 -13.242 4.412 -5.477 1.00 0.00 N ATOM 762 CA THR A 52 -14.200 4.337 -4.342 1.00 0.00 C ATOM 763 C THR A 52 -13.515 3.685 -3.139 1.00 0.00 C ATOM 764 O THR A 52 -13.607 4.163 -2.026 1.00 0.00 O ATOM 765 CB THR A 52 -15.402 3.491 -4.758 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.092 4.139 -5.818 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.341 3.312 -3.569 1.00 0.00 C ATOM 0 H THR A 52 -13.038 3.521 -5.930 1.00 0.00 H new ATOM 0 HA THR A 52 -14.529 5.341 -4.073 1.00 0.00 H new ATOM 0 HB THR A 52 -15.058 2.513 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.821 3.745 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.197 2.708 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.811 2.812 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.687 4.288 -3.228 1.00 0.00 H new ATOM 775 N ARG A 53 -12.826 2.597 -3.354 1.00 0.00 N ATOM 776 CA ARG A 53 -12.134 1.919 -2.224 1.00 0.00 C ATOM 777 C ARG A 53 -11.140 2.890 -1.590 1.00 0.00 C ATOM 778 O ARG A 53 -11.019 2.975 -0.384 1.00 0.00 O ATOM 779 CB ARG A 53 -11.380 0.694 -2.750 1.00 0.00 C ATOM 780 CG ARG A 53 -12.352 -0.476 -2.915 1.00 0.00 C ATOM 781 CD ARG A 53 -12.641 -1.098 -1.548 1.00 0.00 C ATOM 782 NE ARG A 53 -13.233 -2.453 -1.734 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.491 -3.516 -1.586 1.00 0.00 C ATOM 784 NH1 ARG A 53 -11.213 -3.462 -1.847 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.026 -4.633 -1.176 1.00 0.00 N ATOM 0 H ARG A 53 -12.713 2.149 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.867 1.604 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.910 0.927 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.582 0.422 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.279 -0.130 -3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.927 -1.224 -3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.722 -1.168 -0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.326 -0.464 -0.986 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.219 -2.549 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.794 -2.589 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.633 -4.293 -1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.024 -4.675 -0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.446 -5.464 -1.060 1.00 0.00 H new ATOM 799 N LEU A 54 -10.429 3.626 -2.397 1.00 0.00 N ATOM 800 CA LEU A 54 -9.442 4.594 -1.853 1.00 0.00 C ATOM 801 C LEU A 54 -10.152 5.904 -1.511 1.00 0.00 C ATOM 802 O LEU A 54 -9.587 6.783 -0.889 1.00 0.00 O ATOM 803 CB LEU A 54 -8.364 4.851 -2.904 1.00 0.00 C ATOM 804 CG LEU A 54 -7.805 3.512 -3.380 1.00 0.00 C ATOM 805 CD1 LEU A 54 -7.040 3.710 -4.689 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.860 2.952 -2.317 1.00 0.00 C ATOM 0 H LEU A 54 -10.491 3.597 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.983 4.188 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.782 5.405 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.567 5.464 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.626 2.814 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.642 2.753 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.713 4.111 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.218 4.408 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.459 1.996 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.040 3.652 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.406 2.808 -1.384 1.00 0.00 H new ATOM 818 N ARG A 55 -11.387 6.045 -1.911 1.00 0.00 N ATOM 819 CA ARG A 55 -12.127 7.298 -1.607 1.00 0.00 C ATOM 820 C ARG A 55 -11.518 8.453 -2.403 1.00 0.00 C ATOM 821 O ARG A 55 -11.389 9.558 -1.912 1.00 0.00 O ATOM 822 CB ARG A 55 -12.028 7.597 -0.110 1.00 0.00 C ATOM 823 CG ARG A 55 -12.108 6.289 0.679 1.00 0.00 C ATOM 824 CD ARG A 55 -12.864 6.528 1.987 1.00 0.00 C ATOM 825 NE ARG A 55 -12.594 5.405 2.928 1.00 0.00 N ATOM 826 CZ ARG A 55 -13.519 4.517 3.167 1.00 0.00 C ATOM 827 NH1 ARG A 55 -14.650 4.882 3.708 1.00 0.00 N ATOM 828 NH2 ARG A 55 -13.315 3.264 2.866 1.00 0.00 N ATOM 0 H ARG A 55 -11.913 5.346 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.175 7.180 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.091 8.109 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.834 8.266 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.614 5.526 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.105 5.917 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.552 7.473 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.934 6.605 1.793 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.685 5.331 3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.810 5.861 3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.373 4.188 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.432 2.978 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.039 2.570 3.053 1.00 0.00 H new ATOM 842 N GLU A 56 -11.143 8.209 -3.628 1.00 0.00 N ATOM 843 CA GLU A 56 -10.543 9.293 -4.456 1.00 0.00 C ATOM 844 C GLU A 56 -11.271 9.369 -5.800 1.00 0.00 C ATOM 845 O GLU A 56 -11.707 8.370 -6.338 1.00 0.00 O ATOM 846 CB GLU A 56 -9.062 8.995 -4.695 1.00 0.00 C ATOM 847 CG GLU A 56 -8.279 9.213 -3.398 1.00 0.00 C ATOM 848 CD GLU A 56 -7.443 7.969 -3.092 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.939 7.373 -4.028 1.00 0.00 O ATOM 850 OE2 GLU A 56 -7.319 7.635 -1.925 1.00 0.00 O ATOM 0 H GLU A 56 -11.226 7.305 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.641 10.245 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.938 7.968 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.672 9.643 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.632 10.085 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.965 9.414 -2.576 1.00 0.00 H new ATOM 857 N ASN A 57 -11.407 10.547 -6.345 1.00 0.00 N ATOM 858 CA ASN A 57 -12.107 10.685 -7.654 1.00 0.00 C ATOM 859 C ASN A 57 -11.075 10.889 -8.765 1.00 0.00 C ATOM 860 O ASN A 57 -10.755 9.980 -9.503 1.00 0.00 O ATOM 861 CB ASN A 57 -13.049 11.889 -7.605 1.00 0.00 C ATOM 862 CG ASN A 57 -14.489 11.421 -7.822 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.272 12.101 -8.455 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.873 10.279 -7.321 1.00 0.00 N ATOM 0 H ASN A 57 -11.064 11.419 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.683 9.782 -7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.961 12.394 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.771 12.613 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.831 9.957 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.215 9.708 -6.790 1.00 0.00 H new ATOM 871 N GLU A 58 -10.551 12.079 -8.889 1.00 0.00 N ATOM 872 CA GLU A 58 -9.540 12.338 -9.952 1.00 0.00 C ATOM 873 C GLU A 58 -8.274 11.531 -9.661 1.00 0.00 C ATOM 874 O GLU A 58 -7.603 11.745 -8.671 1.00 0.00 O ATOM 875 CB GLU A 58 -9.200 13.831 -9.978 1.00 0.00 C ATOM 876 CG GLU A 58 -8.576 14.237 -8.640 1.00 0.00 C ATOM 877 CD GLU A 58 -9.254 15.508 -8.124 1.00 0.00 C ATOM 878 OE1 GLU A 58 -10.437 15.448 -7.833 1.00 0.00 O ATOM 879 OE2 GLU A 58 -8.579 16.519 -8.028 1.00 0.00 O ATOM 0 H GLU A 58 -10.779 12.881 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.945 12.040 -10.919 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.508 14.043 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.100 14.417 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.690 13.432 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.506 14.407 -8.762 1.00 0.00 H new ATOM 886 N LEU A 59 -7.942 10.601 -10.514 1.00 0.00 N ATOM 887 CA LEU A 59 -6.720 9.779 -10.283 1.00 0.00 C ATOM 888 C LEU A 59 -6.557 8.773 -11.424 1.00 0.00 C ATOM 889 O LEU A 59 -7.518 8.213 -11.914 1.00 0.00 O ATOM 890 CB LEU A 59 -6.855 9.029 -8.957 1.00 0.00 C ATOM 891 CG LEU A 59 -8.085 8.121 -9.007 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.665 6.713 -9.434 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.731 8.060 -7.621 1.00 0.00 C ATOM 0 H LEU A 59 -8.464 10.375 -11.361 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.846 10.429 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.960 8.436 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.946 9.738 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.801 8.520 -9.726 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.542 6.067 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.205 6.754 -10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.949 6.314 -8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.608 7.413 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.014 7.661 -6.903 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.032 9.062 -7.315 1.00 0.00 H new ATOM 905 N THR A 60 -5.346 8.536 -11.851 1.00 0.00 N ATOM 906 CA THR A 60 -5.122 7.564 -12.958 1.00 0.00 C ATOM 907 C THR A 60 -4.656 6.230 -12.372 1.00 0.00 C ATOM 908 O THR A 60 -3.501 6.059 -12.034 1.00 0.00 O ATOM 909 CB THR A 60 -4.050 8.107 -13.907 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.484 9.287 -13.353 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.678 8.430 -15.263 1.00 0.00 C ATOM 0 H THR A 60 -4.502 8.974 -11.481 1.00 0.00 H new ATOM 0 HA THR A 60 -6.051 7.417 -13.509 1.00 0.00 H new ATOM 0 HB THR A 60 -3.271 7.356 -14.041 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.048 9.805 -14.062 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.912 8.816 -15.936 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.112 7.525 -15.688 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.459 9.180 -15.133 1.00 0.00 H new ATOM 919 N TYR A 61 -5.546 5.284 -12.246 1.00 0.00 N ATOM 920 CA TYR A 61 -5.156 3.961 -11.678 1.00 0.00 C ATOM 921 C TYR A 61 -4.731 3.019 -12.807 1.00 0.00 C ATOM 922 O TYR A 61 -5.487 2.749 -13.718 1.00 0.00 O ATOM 923 CB TYR A 61 -6.351 3.360 -10.930 1.00 0.00 C ATOM 924 CG TYR A 61 -7.372 2.849 -11.922 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.267 3.739 -12.529 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.422 1.485 -12.234 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.212 3.265 -13.448 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.367 1.011 -13.153 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.261 1.900 -13.759 1.00 0.00 C ATOM 930 OH TYR A 61 -10.192 1.432 -14.665 1.00 0.00 O ATOM 0 H TYR A 61 -6.527 5.369 -12.512 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.322 4.093 -10.989 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.017 2.546 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.803 4.112 -10.284 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.229 4.791 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.732 0.798 -11.766 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.902 3.951 -13.916 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.405 -0.041 -13.394 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.833 0.646 -15.127 1.00 0.00 H new ATOM 940 N TYR A 62 -3.527 2.513 -12.757 1.00 0.00 N ATOM 941 CA TYR A 62 -3.070 1.587 -13.832 1.00 0.00 C ATOM 942 C TYR A 62 -2.741 0.220 -13.229 1.00 0.00 C ATOM 943 O TYR A 62 -1.761 0.059 -12.529 1.00 0.00 O ATOM 944 CB TYR A 62 -1.822 2.160 -14.506 1.00 0.00 C ATOM 945 CG TYR A 62 -1.375 1.230 -15.607 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.892 1.378 -16.900 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.447 0.219 -15.336 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.478 0.514 -17.922 1.00 0.00 C ATOM 949 CE2 TYR A 62 -0.033 -0.645 -16.358 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.550 -0.497 -17.651 1.00 0.00 C ATOM 951 OH TYR A 62 -0.143 -1.348 -18.658 1.00 0.00 O ATOM 0 H TYR A 62 -2.844 2.700 -12.022 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.863 1.475 -14.571 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.037 3.148 -14.914 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.024 2.284 -13.774 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.609 2.158 -17.109 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.050 0.104 -14.338 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.875 0.629 -18.920 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.684 -1.425 -16.149 1.00 0.00 H new ATOM 0 HH TYR A 62 0.505 -1.991 -18.301 1.00 0.00 H new ATOM 961 N CYS A 63 -3.549 -0.769 -13.500 1.00 0.00 N ATOM 962 CA CYS A 63 -3.279 -2.125 -12.946 1.00 0.00 C ATOM 963 C CYS A 63 -2.217 -2.816 -13.800 1.00 0.00 C ATOM 964 O CYS A 63 -2.050 -2.515 -14.965 1.00 0.00 O ATOM 965 CB CYS A 63 -4.569 -2.948 -12.957 1.00 0.00 C ATOM 966 SG CYS A 63 -5.723 -2.268 -11.739 1.00 0.00 S ATOM 0 H CYS A 63 -4.384 -0.696 -14.081 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.919 -2.038 -11.921 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.018 -2.929 -13.950 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.351 -3.991 -12.726 1.00 0.00 H new ATOM 971 N CYS A 64 -1.491 -3.737 -13.228 1.00 0.00 N ATOM 972 CA CYS A 64 -0.433 -4.439 -14.010 1.00 0.00 C ATOM 973 C CYS A 64 -0.354 -5.904 -13.574 1.00 0.00 C ATOM 974 O CYS A 64 -0.883 -6.289 -12.550 1.00 0.00 O ATOM 975 CB CYS A 64 0.915 -3.760 -13.756 1.00 0.00 C ATOM 976 SG CYS A 64 1.875 -3.726 -15.291 1.00 0.00 S ATOM 0 H CYS A 64 -1.584 -4.033 -12.256 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.676 -4.392 -15.072 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.759 -2.745 -13.390 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.465 -4.297 -12.983 1.00 0.00 H new ATOM 981 N LYS A 65 0.308 -6.724 -14.346 1.00 0.00 N ATOM 982 CA LYS A 65 0.429 -8.164 -13.979 1.00 0.00 C ATOM 983 C LYS A 65 1.892 -8.596 -14.102 1.00 0.00 C ATOM 984 O LYS A 65 2.192 -9.693 -14.528 1.00 0.00 O ATOM 985 CB LYS A 65 -0.432 -9.007 -14.922 1.00 0.00 C ATOM 986 CG LYS A 65 -1.842 -8.418 -14.994 1.00 0.00 C ATOM 987 CD LYS A 65 -2.815 -9.330 -14.244 1.00 0.00 C ATOM 988 CE LYS A 65 -4.064 -9.559 -15.096 1.00 0.00 C ATOM 989 NZ LYS A 65 -5.040 -8.460 -14.854 1.00 0.00 N ATOM 0 H LYS A 65 0.770 -6.458 -15.215 1.00 0.00 H new ATOM 0 HA LYS A 65 0.089 -8.308 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.015 -9.030 -15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.475 -10.037 -14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.853 -7.419 -14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.152 -8.315 -16.034 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.336 -10.283 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.090 -8.879 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.795 -9.595 -16.152 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.514 -10.520 -14.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.967 -8.866 -14.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.708 -7.868 -14.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.128 -7.878 -15.712 1.00 0.00 H new ATOM 1003 N LYS A 66 2.806 -7.739 -13.733 1.00 0.00 N ATOM 1004 CA LYS A 66 4.248 -8.100 -13.830 1.00 0.00 C ATOM 1005 C LYS A 66 4.918 -7.906 -12.468 1.00 0.00 C ATOM 1006 O LYS A 66 4.351 -7.324 -11.565 1.00 0.00 O ATOM 1007 CB LYS A 66 4.929 -7.200 -14.864 1.00 0.00 C ATOM 1008 CG LYS A 66 5.726 -8.059 -15.848 1.00 0.00 C ATOM 1009 CD LYS A 66 6.704 -7.175 -16.625 1.00 0.00 C ATOM 1010 CE LYS A 66 7.489 -8.035 -17.617 1.00 0.00 C ATOM 1011 NZ LYS A 66 8.057 -7.168 -18.687 1.00 0.00 N ATOM 0 H LYS A 66 2.616 -6.805 -13.369 1.00 0.00 H new ATOM 0 HA LYS A 66 4.341 -9.142 -14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.182 -6.615 -15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.591 -6.492 -14.365 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.270 -8.836 -15.311 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.049 -8.563 -16.538 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.161 -6.392 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.388 -6.678 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.289 -8.565 -17.101 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.837 -8.791 -18.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.591 -7.753 -19.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.285 -6.682 -19.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.693 -6.463 -18.262 1.00 0.00 H new ATOM 1025 N ASP A 67 6.119 -8.391 -12.313 1.00 0.00 N ATOM 1026 CA ASP A 67 6.826 -8.235 -11.011 1.00 0.00 C ATOM 1027 C ASP A 67 7.309 -6.792 -10.863 1.00 0.00 C ATOM 1028 O ASP A 67 8.155 -6.330 -11.605 1.00 0.00 O ATOM 1029 CB ASP A 67 8.027 -9.182 -10.960 1.00 0.00 C ATOM 1030 CG ASP A 67 8.752 -9.159 -12.306 1.00 0.00 C ATOM 1031 OD1 ASP A 67 8.396 -9.953 -13.162 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.650 -8.349 -12.459 1.00 0.00 O ATOM 0 H ASP A 67 6.642 -8.889 -13.033 1.00 0.00 H new ATOM 0 HA ASP A 67 6.141 -8.476 -10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.707 -8.881 -10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.696 -10.195 -10.731 1.00 0.00 H new ATOM 1037 N LEU A 68 6.781 -6.076 -9.909 1.00 0.00 N ATOM 1038 CA LEU A 68 7.209 -4.665 -9.708 1.00 0.00 C ATOM 1039 C LEU A 68 6.845 -3.839 -10.942 1.00 0.00 C ATOM 1040 O LEU A 68 7.690 -3.232 -11.570 1.00 0.00 O ATOM 1041 CB LEU A 68 8.721 -4.622 -9.483 1.00 0.00 C ATOM 1042 CG LEU A 68 9.089 -5.580 -8.349 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.610 -5.698 -8.249 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.530 -5.046 -7.028 1.00 0.00 C ATOM 0 H LEU A 68 6.069 -6.409 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 68 6.702 -4.249 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.245 -4.903 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.035 -3.608 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 68 8.663 -6.562 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.870 -6.381 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.008 -6.081 -9.189 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.039 -4.716 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.792 -5.729 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.954 -4.063 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.445 -4.966 -7.098 1.00 0.00 H new ATOM 1056 N CYS A 69 5.589 -3.809 -11.291 1.00 0.00 N ATOM 1057 CA CYS A 69 5.161 -3.021 -12.480 1.00 0.00 C ATOM 1058 C CYS A 69 4.543 -1.701 -12.015 1.00 0.00 C ATOM 1059 O CYS A 69 3.802 -1.062 -12.734 1.00 0.00 O ATOM 1060 CB CYS A 69 4.126 -3.824 -13.270 1.00 0.00 C ATOM 1061 SG CYS A 69 3.643 -2.905 -14.753 1.00 0.00 S ATOM 0 H CYS A 69 4.839 -4.298 -10.803 1.00 0.00 H new ATOM 0 HA CYS A 69 6.022 -2.813 -13.116 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.540 -4.793 -13.550 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.251 -4.018 -12.650 1.00 0.00 H new ATOM 1066 N ASN A 70 4.842 -1.289 -10.813 1.00 0.00 N ATOM 1067 CA ASN A 70 4.269 -0.014 -10.300 1.00 0.00 C ATOM 1068 C ASN A 70 5.402 0.938 -9.908 1.00 0.00 C ATOM 1069 O ASN A 70 5.308 1.661 -8.936 1.00 0.00 O ATOM 1070 CB ASN A 70 3.403 -0.304 -9.072 1.00 0.00 C ATOM 1071 CG ASN A 70 4.301 -0.699 -7.899 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.613 0.118 -7.055 1.00 0.00 O ATOM 1073 ND2 ASN A 70 4.734 -1.927 -7.810 1.00 0.00 N ATOM 0 H ASN A 70 5.458 -1.780 -10.165 1.00 0.00 H new ATOM 0 HA ASN A 70 3.660 0.448 -11.077 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.814 0.576 -8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.699 -1.106 -9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.334 -2.201 -7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.472 -2.613 -8.518 1.00 0.00 H new ATOM 1080 N PHE A 71 6.471 0.950 -10.657 1.00 0.00 N ATOM 1081 CA PHE A 71 7.601 1.863 -10.321 1.00 0.00 C ATOM 1082 C PHE A 71 7.264 3.276 -10.805 1.00 0.00 C ATOM 1083 O PHE A 71 6.139 3.566 -11.163 1.00 0.00 O ATOM 1084 CB PHE A 71 8.890 1.376 -10.993 1.00 0.00 C ATOM 1085 CG PHE A 71 8.586 0.866 -12.381 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.525 1.757 -13.458 1.00 0.00 C ATOM 1087 CD2 PHE A 71 8.368 -0.501 -12.592 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.244 1.283 -14.745 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.087 -0.975 -13.878 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.025 -0.084 -14.955 1.00 0.00 C ATOM 0 H PHE A 71 6.611 0.370 -11.484 1.00 0.00 H new ATOM 0 HA PHE A 71 7.752 1.871 -9.242 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.613 2.190 -11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.344 0.585 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.695 2.811 -13.296 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.417 -1.190 -11.762 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.196 1.972 -15.576 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.918 -2.029 -14.039 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.808 -0.450 -15.948 1.00 0.00 H new ATOM 1100 N ASN A 72 8.222 4.162 -10.814 1.00 0.00 N ATOM 1101 CA ASN A 72 7.941 5.553 -11.268 1.00 0.00 C ATOM 1102 C ASN A 72 8.229 5.680 -12.765 1.00 0.00 C ATOM 1103 O ASN A 72 9.107 6.410 -13.179 1.00 0.00 O ATOM 1104 CB ASN A 72 8.823 6.532 -10.492 1.00 0.00 C ATOM 1105 CG ASN A 72 7.997 7.756 -10.094 1.00 0.00 C ATOM 1106 OD1 ASN A 72 7.972 8.742 -10.803 1.00 0.00 O ATOM 1107 ND2 ASN A 72 7.312 7.733 -8.984 1.00 0.00 N ATOM 0 H ASN A 72 9.184 3.983 -10.527 1.00 0.00 H new ATOM 0 HA ASN A 72 6.892 5.784 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.227 6.048 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.672 6.836 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.755 8.543 -8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.333 6.905 -8.389 1.00 0.00 H new ATOM 1114 N GLU A 73 7.492 4.976 -13.582 1.00 0.00 N ATOM 1115 CA GLU A 73 7.720 5.061 -15.052 1.00 0.00 C ATOM 1116 C GLU A 73 6.717 4.164 -15.779 1.00 0.00 C ATOM 1117 O GLU A 73 7.073 3.391 -16.646 1.00 0.00 O ATOM 1118 CB GLU A 73 9.143 4.602 -15.375 1.00 0.00 C ATOM 1119 CG GLU A 73 9.742 5.512 -16.451 1.00 0.00 C ATOM 1120 CD GLU A 73 10.751 4.722 -17.284 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.145 3.655 -16.846 1.00 0.00 O ATOM 1122 OE2 GLU A 73 11.113 5.199 -18.347 1.00 0.00 O ATOM 0 H GLU A 73 6.743 4.346 -13.294 1.00 0.00 H new ATOM 0 HA GLU A 73 7.587 6.092 -15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.758 4.631 -14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.133 3.569 -15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.952 5.903 -17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.230 6.369 -15.987 1.00 0.00 H new ATOM 1129 N GLN A 74 5.461 4.259 -15.432 1.00 0.00 N ATOM 1130 CA GLN A 74 4.436 3.411 -16.105 1.00 0.00 C ATOM 1131 C GLN A 74 3.103 4.161 -16.147 1.00 0.00 C ATOM 1132 O GLN A 74 2.085 3.665 -15.707 1.00 0.00 O ATOM 1133 CB GLN A 74 4.264 2.105 -15.325 1.00 0.00 C ATOM 1134 CG GLN A 74 3.626 1.048 -16.229 1.00 0.00 C ATOM 1135 CD GLN A 74 4.450 0.902 -17.508 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.170 1.543 -18.501 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.462 0.079 -17.528 1.00 0.00 N ATOM 0 H GLN A 74 5.101 4.886 -14.713 1.00 0.00 H new ATOM 0 HA GLN A 74 4.758 3.187 -17.122 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.231 1.754 -14.965 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.639 2.273 -14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.574 0.092 -15.707 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.603 1.334 -16.474 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.698 -0.460 -16.695 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.017 -0.026 -18.377 1.00 0.00 H new ATOM 1146 N LEU A 75 3.103 5.353 -16.676 1.00 0.00 N ATOM 1147 CA LEU A 75 1.839 6.139 -16.750 1.00 0.00 C ATOM 1148 C LEU A 75 2.033 7.309 -17.715 1.00 0.00 C ATOM 1149 O LEU A 75 1.287 7.481 -18.658 1.00 0.00 O ATOM 1150 CB LEU A 75 1.486 6.675 -15.360 1.00 0.00 C ATOM 1151 CG LEU A 75 -0.026 6.884 -15.261 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.657 5.708 -14.513 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.313 8.180 -14.500 1.00 0.00 C ATOM 0 H LEU A 75 3.925 5.818 -17.061 1.00 0.00 H new ATOM 0 HA LEU A 75 1.030 5.500 -17.105 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.818 5.974 -14.594 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.006 7.616 -15.179 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.449 6.947 -16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.734 5.857 -14.443 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.453 4.783 -15.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.233 5.645 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.390 8.329 -14.429 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.111 8.115 -13.498 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.136 9.020 -15.030 1.00 0.00 H new ATOM 1165 N GLU A 76 3.035 8.114 -17.487 1.00 0.00 N ATOM 1166 CA GLU A 76 3.284 9.271 -18.391 1.00 0.00 C ATOM 1167 C GLU A 76 4.781 9.369 -18.688 1.00 0.00 C ATOM 1168 O GLU A 76 5.326 10.445 -18.836 1.00 0.00 O ATOM 1169 CB GLU A 76 2.813 10.561 -17.715 1.00 0.00 C ATOM 1170 CG GLU A 76 3.059 11.745 -18.652 1.00 0.00 C ATOM 1171 CD GLU A 76 1.924 12.759 -18.505 1.00 0.00 C ATOM 1172 OE1 GLU A 76 0.831 12.349 -18.151 1.00 0.00 O ATOM 1173 OE2 GLU A 76 2.166 13.929 -18.752 1.00 0.00 O ATOM 0 H GLU A 76 3.692 8.020 -16.713 1.00 0.00 H new ATOM 0 HA GLU A 76 2.735 9.129 -19.322 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.753 10.490 -17.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.347 10.709 -16.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.014 12.216 -18.417 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.120 11.399 -19.684 1.00 0.00 H new ATOM 1180 N ASN A 77 5.451 8.254 -18.776 1.00 0.00 N ATOM 1181 CA ASN A 77 6.912 8.283 -19.061 1.00 0.00 C ATOM 1182 C ASN A 77 7.445 6.852 -19.153 1.00 0.00 C ATOM 1183 O ASN A 77 8.632 6.697 -19.389 1.00 0.00 O ATOM 1184 CB ASN A 77 7.637 9.023 -17.936 1.00 0.00 C ATOM 1185 CG ASN A 77 7.133 8.516 -16.583 1.00 0.00 C ATOM 1186 OD1 ASN A 77 6.219 7.719 -16.522 1.00 0.00 O ATOM 1187 ND2 ASN A 77 7.695 8.948 -15.487 1.00 0.00 N ATOM 1188 OXT ASN A 77 6.657 5.936 -18.986 1.00 0.00 O ATOM 0 H ASN A 77 5.049 7.323 -18.663 1.00 0.00 H new ATOM 0 HA ASN A 77 7.085 8.797 -20.007 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.713 8.866 -18.017 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.464 10.096 -18.022 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.366 8.616 -14.580 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.463 9.618 -15.537 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 9.259 -11.250 -1.807 1.00 0.00 C HETATM 1197 C2 NAG A 78 10.034 -9.951 -1.984 1.00 0.00 C HETATM 1198 C3 NAG A 78 11.459 -10.166 -1.502 1.00 0.00 C HETATM 1199 C4 NAG A 78 11.409 -10.581 -0.042 1.00 0.00 C HETATM 1200 C5 NAG A 78 10.591 -11.863 0.080 1.00 0.00 C HETATM 1201 C6 NAG A 78 10.465 -12.349 1.510 1.00 0.00 C HETATM 1202 C7 NAG A 78 10.160 -8.285 -3.687 1.00 0.00 C HETATM 1203 C8 NAG A 78 10.149 -7.921 -5.162 1.00 0.00 C HETATM 1204 N2 NAG A 78 10.031 -9.546 -3.375 1.00 0.00 N HETATM 1205 O3 NAG A 78 12.209 -8.968 -1.650 1.00 0.00 O HETATM 1206 O4 NAG A 78 12.745 -10.799 0.450 1.00 0.00 O HETATM 1207 O5 NAG A 78 9.254 -11.645 -0.425 1.00 0.00 O HETATM 1208 O6 NAG A 78 9.334 -13.192 1.673 1.00 0.00 O HETATM 1209 O7 NAG A 78 10.287 -7.436 -2.826 1.00 0.00 O HETATM 0 HO6 NAG A 78 8.647 -12.948 1.019 1.00 0.00 H new HETATM 0 HO3 NAG A 78 12.883 -8.914 -0.941 1.00 0.00 H new HETATM 0 HN2 NAG A 78 9.928 -10.246 -4.110 1.00 0.00 H new HETATM 0 H83 NAG A 78 10.971 -8.427 -5.668 1.00 0.00 H new HETATM 0 H82 NAG A 78 9.203 -8.231 -5.606 1.00 0.00 H new HETATM 0 H81 NAG A 78 10.265 -6.843 -5.272 1.00 0.00 H new HETATM 0 H62 NAG A 78 11.368 -12.890 1.793 1.00 0.00 H new HETATM 0 H61 NAG A 78 10.383 -11.494 2.181 1.00 0.00 H new HETATM 0 H5 NAG A 78 11.122 -12.618 -0.499 1.00 0.00 H new HETATM 0 H4 NAG A 78 10.944 -9.793 0.550 1.00 0.00 H new HETATM 0 H3 NAG A 78 11.943 -10.944 -2.093 1.00 0.00 H new HETATM 0 H2 NAG A 78 9.562 -9.160 -1.401 1.00 0.00 H new HETATM 1223 C1 NAG A 79 13.257 -9.817 1.280 1.00 0.00 C HETATM 1224 C2 NAG A 79 14.709 -10.130 1.622 1.00 0.00 C HETATM 1225 C3 NAG A 79 15.251 -9.022 2.506 1.00 0.00 C HETATM 1226 C4 NAG A 79 15.134 -7.712 1.748 1.00 0.00 C HETATM 1227 C5 NAG A 79 13.666 -7.468 1.406 1.00 0.00 C HETATM 1228 C6 NAG A 79 13.447 -6.185 0.629 1.00 0.00 C HETATM 1229 C7 NAG A 79 15.726 -12.262 1.959 1.00 0.00 C HETATM 1230 C8 NAG A 79 15.775 -13.582 2.709 1.00 0.00 C HETATM 1231 N2 NAG A 79 14.802 -11.408 2.302 1.00 0.00 N HETATM 1232 O3 NAG A 79 16.608 -9.281 2.838 1.00 0.00 O HETATM 1233 O4 NAG A 79 15.634 -6.646 2.542 1.00 0.00 O HETATM 1234 O5 NAG A 79 13.160 -8.557 0.600 1.00 0.00 O HETATM 1235 O6 NAG A 79 12.139 -5.673 0.838 1.00 0.00 O HETATM 1236 O7 NAG A 79 16.517 -12.008 1.071 1.00 0.00 O HETATM 0 HO6 NAG A 79 11.585 -5.860 0.051 1.00 0.00 H new HETATM 0 HO4 NAG A 79 16.144 -6.028 1.977 1.00 0.00 H new HETATM 0 HO3 NAG A 79 17.097 -8.434 2.901 1.00 0.00 H new HETATM 0 HN2 NAG A 79 14.145 -11.638 3.048 1.00 0.00 H new HETATM 0 H83 NAG A 79 15.939 -13.392 3.770 1.00 0.00 H new HETATM 0 H82 NAG A 79 14.831 -14.111 2.577 1.00 0.00 H new HETATM 0 H81 NAG A 79 16.590 -14.192 2.320 1.00 0.00 H new HETATM 0 H62 NAG A 79 14.184 -5.442 0.934 1.00 0.00 H new HETATM 0 H61 NAG A 79 13.602 -6.370 -0.434 1.00 0.00 H new HETATM 0 H5 NAG A 79 13.140 -7.393 2.358 1.00 0.00 H new HETATM 0 H4 NAG A 79 15.719 -7.764 0.830 1.00 0.00 H new HETATM 0 H3 NAG A 79 14.681 -8.968 3.434 1.00 0.00 H new HETATM 0 H2 NAG A 79 15.297 -10.190 0.706 1.00 0.00 H new