USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ -125:sc= 0.219 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.654 K(o=-0.43,f=-4.1) USER MOD Single : A 4 SER OG : rot 36:sc= 0.0754 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 7 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.31) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0139 (180deg=-0.359) USER MOD Single : A 14 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= -0.0542 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.118) USER MOD Single : A 24 ASN : amide:sc= 0.291 K(o=0.29,f=-0.78) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 33 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 0.00787 X(o=0.0079,f=-0.22) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 142:sc= -0.405 (180deg=-1.71!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 57:sc= -5.82! USER MOD Single : A 63 TYR OH : rot 36:sc= 0.549 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= -2.38 (180deg=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -10:sc= -2.15! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 15.692 -9.272 -0.848 1.00 1.00 N ATOM 16 CA SER A 4 15.926 -7.990 -0.197 1.00 1.00 C ATOM 17 C SER A 4 14.613 -7.401 0.304 1.00 1.00 C ATOM 18 O SER A 4 13.556 -7.608 -0.296 1.00 1.00 O ATOM 19 CB SER A 4 16.582 -7.017 -1.177 1.00 1.00 C ATOM 20 OG SER A 4 17.848 -7.530 -1.571 1.00 1.00 O ATOM 0 HA SER A 4 16.590 -8.150 0.653 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.945 -6.878 -2.051 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.702 -6.039 -0.711 1.00 1.00 H new ATOM 0 HG SER A 4 17.799 -8.507 -1.636 1.00 1.00 H new ATOM 26 N THR A 5 14.687 -6.672 1.409 1.00 1.00 N ATOM 27 CA THR A 5 13.501 -6.063 1.987 1.00 1.00 C ATOM 28 C THR A 5 12.877 -5.085 1.005 1.00 1.00 C ATOM 29 O THR A 5 11.657 -5.030 0.864 1.00 1.00 O ATOM 30 CB THR A 5 13.856 -5.321 3.280 1.00 1.00 C ATOM 31 OG1 THR A 5 14.694 -6.145 4.078 1.00 1.00 O ATOM 32 CG2 THR A 5 12.582 -4.997 4.061 1.00 1.00 C ATOM 0 H THR A 5 15.551 -6.490 1.919 1.00 1.00 H new ATOM 0 HA THR A 5 12.788 -6.856 2.211 1.00 1.00 H new ATOM 0 HB THR A 5 14.373 -4.394 3.031 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.925 -5.673 4.905 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.842 -4.470 4.979 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.932 -4.368 3.453 1.00 1.00 H new ATOM 0 HG23 THR A 5 12.062 -5.922 4.309 1.00 1.00 H new ATOM 40 N LEU A 6 13.715 -4.305 0.333 1.00 1.00 N ATOM 41 CA LEU A 6 13.213 -3.332 -0.621 1.00 1.00 C ATOM 42 C LEU A 6 12.526 -4.026 -1.797 1.00 1.00 C ATOM 43 O LEU A 6 11.439 -3.636 -2.222 1.00 1.00 O ATOM 44 CB LEU A 6 14.385 -2.474 -1.139 1.00 1.00 C ATOM 45 CG LEU A 6 13.899 -1.058 -1.498 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.711 -1.142 -2.463 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.483 -0.293 -0.217 1.00 1.00 C ATOM 0 H LEU A 6 14.730 -4.328 0.430 1.00 1.00 H new ATOM 0 HA LEU A 6 12.481 -2.698 -0.121 1.00 1.00 H new ATOM 0 HB2 LEU A 6 15.164 -2.416 -0.379 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.829 -2.946 -2.016 1.00 1.00 H new ATOM 0 HG LEU A 6 14.715 -0.519 -1.981 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.373 -0.136 -2.712 1.00 1.00 H new ATOM 0 HD12 LEU A 6 13.017 -1.658 -3.373 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.897 -1.692 -1.991 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.141 0.707 -0.485 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.677 -0.830 0.282 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.338 -0.216 0.455 1.00 1.00 H new ATOM 59 N GLN A 7 13.171 -5.057 -2.322 1.00 1.00 N ATOM 60 CA GLN A 7 12.613 -5.777 -3.453 1.00 1.00 C ATOM 61 C GLN A 7 11.242 -6.331 -3.105 1.00 1.00 C ATOM 62 O GLN A 7 10.300 -6.223 -3.893 1.00 1.00 O ATOM 63 CB GLN A 7 13.555 -6.913 -3.862 1.00 1.00 C ATOM 64 CG GLN A 7 12.974 -7.672 -5.063 1.00 1.00 C ATOM 65 CD GLN A 7 12.805 -6.729 -6.247 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.790 -6.233 -6.794 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.604 -6.434 -6.662 1.00 1.00 N ATOM 0 H GLN A 7 14.068 -5.409 -1.988 1.00 1.00 H new ATOM 0 HA GLN A 7 12.504 -5.087 -4.290 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.535 -6.510 -4.116 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.699 -7.596 -3.025 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.633 -8.496 -5.336 1.00 1.00 H new ATOM 0 HG3 GLN A 7 12.012 -8.109 -4.796 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.791 -6.847 -6.206 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.478 -5.790 -7.443 1.00 1.00 H new ATOM 76 N LYS A 8 11.132 -6.915 -1.923 1.00 1.00 N ATOM 77 CA LYS A 8 9.865 -7.475 -1.485 1.00 1.00 C ATOM 78 C LYS A 8 8.813 -6.378 -1.357 1.00 1.00 C ATOM 79 O LYS A 8 7.667 -6.554 -1.773 1.00 1.00 O ATOM 80 CB LYS A 8 10.056 -8.194 -0.132 1.00 1.00 C ATOM 81 CG LYS A 8 10.257 -9.703 -0.342 1.00 1.00 C ATOM 82 CD LYS A 8 8.900 -10.380 -0.588 1.00 1.00 C ATOM 83 CE LYS A 8 9.056 -11.890 -0.447 1.00 1.00 C ATOM 84 NZ LYS A 8 10.080 -12.370 -1.415 1.00 1.00 N ATOM 0 H LYS A 8 11.897 -7.013 -1.255 1.00 1.00 H new ATOM 0 HA LYS A 8 9.520 -8.195 -2.227 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.918 -7.776 0.389 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.186 -8.023 0.502 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.919 -9.876 -1.190 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.738 -10.140 0.533 1.00 1.00 H new ATOM 0 HD2 LYS A 8 8.162 -10.011 0.125 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.533 -10.132 -1.584 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.354 -12.143 0.571 1.00 1.00 H new ATOM 0 HE3 LYS A 8 8.103 -12.385 -0.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 10.013 -13.404 -1.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 9.915 -11.928 -2.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 11.028 -12.114 -1.073 1.00 1.00 H new ATOM 98 N ALA A 9 9.205 -5.255 -0.774 1.00 1.00 N ATOM 99 CA ALA A 9 8.279 -4.151 -0.593 1.00 1.00 C ATOM 100 C ALA A 9 7.683 -3.735 -1.938 1.00 1.00 C ATOM 101 O ALA A 9 6.470 -3.572 -2.068 1.00 1.00 O ATOM 102 CB ALA A 9 9.012 -2.969 0.055 1.00 1.00 C ATOM 0 H ALA A 9 10.147 -5.086 -0.422 1.00 1.00 H new ATOM 0 HA ALA A 9 7.465 -4.468 0.060 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.317 -2.140 0.191 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.408 -3.273 1.024 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.833 -2.653 -0.589 1.00 1.00 H new ATOM 108 N ILE A 10 8.548 -3.575 -2.931 1.00 1.00 N ATOM 109 CA ILE A 10 8.106 -3.190 -4.264 1.00 1.00 C ATOM 110 C ILE A 10 7.215 -4.288 -4.852 1.00 1.00 C ATOM 111 O ILE A 10 6.220 -4.030 -5.511 1.00 1.00 O ATOM 112 CB ILE A 10 9.310 -2.940 -5.175 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.077 -1.711 -4.685 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.822 -2.691 -6.603 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.399 -1.598 -5.448 1.00 1.00 C ATOM 0 H ILE A 10 9.555 -3.705 -2.839 1.00 1.00 H new ATOM 0 HA ILE A 10 7.532 -2.266 -4.192 1.00 1.00 H new ATOM 0 HB ILE A 10 9.965 -3.811 -5.156 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.479 -0.812 -4.836 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.268 -1.791 -3.615 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.678 -2.513 -7.254 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.272 -3.563 -6.957 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.168 -1.819 -6.617 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.947 -0.722 -5.100 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.997 -2.493 -5.274 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.196 -1.498 -6.514 1.00 1.00 H new ATOM 127 N ASP A 11 7.604 -5.525 -4.667 1.00 1.00 N ATOM 128 CA ASP A 11 6.829 -6.620 -5.222 1.00 1.00 C ATOM 129 C ASP A 11 5.407 -6.609 -4.672 1.00 1.00 C ATOM 130 O ASP A 11 4.433 -6.730 -5.425 1.00 1.00 O ATOM 131 CB ASP A 11 7.501 -7.938 -4.866 1.00 1.00 C ATOM 132 CG ASP A 11 6.947 -9.074 -5.721 1.00 1.00 C ATOM 133 OD1 ASP A 11 6.385 -8.788 -6.765 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.096 -10.210 -5.318 1.00 1.00 O ATOM 0 H ASP A 11 8.437 -5.802 -4.147 1.00 1.00 H new ATOM 0 HA ASP A 11 6.782 -6.504 -6.305 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.577 -7.855 -5.016 1.00 1.00 H new ATOM 0 HB3 ASP A 11 7.342 -8.160 -3.811 1.00 1.00 H new ATOM 139 N LEU A 12 5.290 -6.476 -3.356 1.00 1.00 N ATOM 140 CA LEU A 12 3.989 -6.473 -2.710 1.00 1.00 C ATOM 141 C LEU A 12 3.164 -5.271 -3.142 1.00 1.00 C ATOM 142 O LEU A 12 1.966 -5.385 -3.401 1.00 1.00 O ATOM 143 CB LEU A 12 4.180 -6.422 -1.190 1.00 1.00 C ATOM 144 CG LEU A 12 4.962 -7.654 -0.707 1.00 1.00 C ATOM 145 CD1 LEU A 12 5.597 -7.359 0.657 1.00 1.00 C ATOM 146 CD2 LEU A 12 4.036 -8.869 -0.585 1.00 1.00 C ATOM 0 H LEU A 12 6.080 -6.369 -2.719 1.00 1.00 H new ATOM 0 HA LEU A 12 3.461 -7.381 -3.000 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.715 -5.513 -0.915 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.209 -6.383 -0.696 1.00 1.00 H new ATOM 0 HG LEU A 12 5.740 -7.878 -1.437 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.151 -8.234 0.997 1.00 1.00 H new ATOM 0 HD12 LEU A 12 6.277 -6.512 0.566 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.815 -7.121 1.378 1.00 1.00 H new ATOM 0 HD21 LEU A 12 4.609 -9.730 -0.242 1.00 1.00 H new ATOM 0 HD22 LEU A 12 3.243 -8.652 0.131 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.596 -9.090 -1.557 1.00 1.00 H new ATOM 158 N VAL A 13 3.808 -4.111 -3.213 1.00 1.00 N ATOM 159 CA VAL A 13 3.106 -2.897 -3.606 1.00 1.00 C ATOM 160 C VAL A 13 2.663 -2.988 -5.066 1.00 1.00 C ATOM 161 O VAL A 13 1.568 -2.553 -5.423 1.00 1.00 O ATOM 162 CB VAL A 13 4.008 -1.664 -3.373 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.914 -1.427 -4.576 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.156 -0.410 -3.139 1.00 1.00 C ATOM 0 H VAL A 13 4.799 -3.987 -3.007 1.00 1.00 H new ATOM 0 HA VAL A 13 2.213 -2.787 -2.991 1.00 1.00 H new ATOM 0 HB VAL A 13 4.618 -1.860 -2.491 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.541 -0.555 -4.393 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.545 -2.301 -4.734 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.304 -1.255 -5.463 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.808 0.448 -2.977 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.528 -0.229 -4.011 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.525 -0.557 -2.262 1.00 1.00 H new ATOM 174 N THR A 14 3.531 -3.553 -5.903 1.00 1.00 N ATOM 175 CA THR A 14 3.221 -3.686 -7.320 1.00 1.00 C ATOM 176 C THR A 14 1.945 -4.508 -7.486 1.00 1.00 C ATOM 177 O THR A 14 1.014 -4.117 -8.198 1.00 1.00 O ATOM 178 CB THR A 14 4.392 -4.362 -8.039 1.00 1.00 C ATOM 179 OG1 THR A 14 5.551 -3.540 -7.941 1.00 1.00 O ATOM 180 CG2 THR A 14 4.034 -4.582 -9.508 1.00 1.00 C ATOM 0 H THR A 14 4.442 -3.921 -5.627 1.00 1.00 H new ATOM 0 HA THR A 14 3.064 -2.700 -7.758 1.00 1.00 H new ATOM 0 HB THR A 14 4.596 -5.326 -7.573 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.821 -3.467 -7.002 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.869 -5.063 -10.018 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.152 -5.218 -9.576 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.826 -3.622 -9.980 1.00 1.00 H new ATOM 188 N LYS A 15 1.900 -5.639 -6.808 1.00 1.00 N ATOM 189 CA LYS A 15 0.724 -6.485 -6.873 1.00 1.00 C ATOM 190 C LYS A 15 -0.476 -5.711 -6.343 1.00 1.00 C ATOM 191 O LYS A 15 -1.569 -5.790 -6.881 1.00 1.00 O ATOM 192 CB LYS A 15 0.934 -7.740 -6.047 1.00 1.00 C ATOM 193 CG LYS A 15 -0.218 -8.715 -6.304 1.00 1.00 C ATOM 194 CD LYS A 15 -0.036 -9.948 -5.425 1.00 1.00 C ATOM 195 CE LYS A 15 1.201 -10.740 -5.865 1.00 1.00 C ATOM 196 NZ LYS A 15 1.103 -12.140 -5.353 1.00 1.00 N ATOM 0 H LYS A 15 2.652 -5.989 -6.214 1.00 1.00 H new ATOM 0 HA LYS A 15 0.546 -6.777 -7.908 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.884 -8.206 -6.308 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.982 -7.488 -4.988 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.172 -8.235 -6.085 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.239 -9.003 -7.355 1.00 1.00 H new ATOM 0 HD2 LYS A 15 0.069 -9.647 -4.383 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.922 -10.580 -5.487 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.276 -10.743 -6.952 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.105 -10.265 -5.484 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.942 -12.678 -5.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.051 -12.127 -4.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.248 -12.591 -5.737 1.00 1.00 H new ATOM 210 N ALA A 16 -0.274 -4.960 -5.275 1.00 1.00 N ATOM 211 CA ALA A 16 -1.367 -4.196 -4.698 1.00 1.00 C ATOM 212 C ALA A 16 -2.007 -3.285 -5.738 1.00 1.00 C ATOM 213 O ALA A 16 -3.233 -3.159 -5.800 1.00 1.00 O ATOM 214 CB ALA A 16 -0.848 -3.343 -3.537 1.00 1.00 C ATOM 0 H ALA A 16 0.621 -4.863 -4.796 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.118 -4.900 -4.338 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.672 -2.772 -3.108 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.419 -3.991 -2.773 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.083 -2.658 -3.903 1.00 1.00 H new ATOM 220 N THR A 17 -1.176 -2.641 -6.542 1.00 1.00 N ATOM 221 CA THR A 17 -1.677 -1.734 -7.558 1.00 1.00 C ATOM 222 C THR A 17 -2.483 -2.479 -8.610 1.00 1.00 C ATOM 223 O THR A 17 -3.545 -2.022 -9.028 1.00 1.00 O ATOM 224 CB THR A 17 -0.506 -1.007 -8.236 1.00 1.00 C ATOM 225 OG1 THR A 17 0.429 -1.959 -8.711 1.00 1.00 O ATOM 226 CG2 THR A 17 0.192 -0.070 -7.240 1.00 1.00 C ATOM 0 H THR A 17 -0.160 -2.729 -6.511 1.00 1.00 H new ATOM 0 HA THR A 17 -2.329 -1.010 -7.069 1.00 1.00 H new ATOM 0 HB THR A 17 -0.894 -0.418 -9.067 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.313 -2.802 -8.226 1.00 1.00 H new ATOM 0 HG21 THR A 17 1.019 0.437 -7.736 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.521 0.670 -6.875 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.574 -0.651 -6.400 1.00 1.00 H new ATOM 234 N GLU A 18 -1.996 -3.645 -9.021 1.00 1.00 N ATOM 235 CA GLU A 18 -2.714 -4.423 -10.020 1.00 1.00 C ATOM 236 C GLU A 18 -4.081 -4.856 -9.481 1.00 1.00 C ATOM 237 O GLU A 18 -5.087 -4.841 -10.190 1.00 1.00 O ATOM 238 CB GLU A 18 -1.854 -5.645 -10.450 1.00 1.00 C ATOM 239 CG GLU A 18 -2.306 -6.923 -9.733 1.00 1.00 C ATOM 240 CD GLU A 18 -1.369 -8.083 -10.040 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.514 -7.921 -10.890 1.00 1.00 O ATOM 242 OE2 GLU A 18 -1.519 -9.120 -9.414 1.00 1.00 O ATOM 0 H GLU A 18 -1.128 -4.063 -8.687 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.892 -3.806 -10.900 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.929 -5.784 -11.528 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.805 -5.451 -10.226 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.335 -6.750 -8.657 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.320 -7.178 -10.042 1.00 1.00 H new ATOM 249 N GLU A 19 -4.096 -5.267 -8.219 1.00 1.00 N ATOM 250 CA GLU A 19 -5.324 -5.724 -7.594 1.00 1.00 C ATOM 251 C GLU A 19 -6.316 -4.577 -7.532 1.00 1.00 C ATOM 252 O GLU A 19 -7.509 -4.754 -7.764 1.00 1.00 O ATOM 253 CB GLU A 19 -5.029 -6.252 -6.186 1.00 1.00 C ATOM 254 CG GLU A 19 -4.300 -7.603 -6.265 1.00 1.00 C ATOM 255 CD GLU A 19 -5.207 -8.667 -6.876 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.333 -8.786 -6.422 1.00 1.00 O ATOM 257 OE2 GLU A 19 -4.765 -9.341 -7.791 1.00 1.00 O ATOM 0 H GLU A 19 -3.275 -5.292 -7.614 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.753 -6.534 -8.184 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.418 -5.533 -5.641 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -5.960 -6.365 -5.630 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.396 -7.500 -6.865 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -3.987 -7.913 -5.268 1.00 1.00 H new ATOM 264 N ASP A 20 -5.810 -3.391 -7.240 1.00 1.00 N ATOM 265 CA ASP A 20 -6.664 -2.222 -7.171 1.00 1.00 C ATOM 266 C ASP A 20 -7.341 -1.997 -8.520 1.00 1.00 C ATOM 267 O ASP A 20 -8.519 -1.645 -8.581 1.00 1.00 O ATOM 268 CB ASP A 20 -5.834 -0.993 -6.799 1.00 1.00 C ATOM 269 CG ASP A 20 -6.750 0.147 -6.367 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.439 -0.018 -5.372 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.754 1.167 -7.037 1.00 1.00 O ATOM 0 H ASP A 20 -4.824 -3.215 -7.049 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.426 -2.382 -6.409 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.144 -1.241 -5.992 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.230 -0.681 -7.651 1.00 1.00 H new ATOM 276 N LYS A 21 -6.592 -2.213 -9.600 1.00 1.00 N ATOM 277 CA LYS A 21 -7.144 -2.041 -10.940 1.00 1.00 C ATOM 278 C LYS A 21 -8.241 -3.071 -11.180 1.00 1.00 C ATOM 279 O LYS A 21 -9.274 -2.766 -11.770 1.00 1.00 O ATOM 280 CB LYS A 21 -6.048 -2.216 -11.980 1.00 1.00 C ATOM 281 CG LYS A 21 -4.977 -1.142 -11.780 1.00 1.00 C ATOM 282 CD LYS A 21 -3.798 -1.390 -12.740 1.00 1.00 C ATOM 283 CE LYS A 21 -2.526 -0.760 -12.170 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.521 -0.594 -13.260 1.00 1.00 N ATOM 0 H LYS A 21 -5.615 -2.503 -9.574 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.562 -1.038 -11.025 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.604 -3.208 -11.892 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.469 -2.143 -12.983 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.402 -0.155 -11.960 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.626 -1.154 -10.748 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.652 -2.461 -12.883 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.018 -0.965 -13.719 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.756 0.207 -11.722 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.119 -1.389 -11.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.656 -0.166 -12.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.294 -1.524 -13.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.911 0.023 -14.001 1.00 1.00 H new ATOM 298 N ALA A 22 -7.999 -4.296 -10.710 1.00 1.00 N ATOM 299 CA ALA A 22 -8.967 -5.370 -10.890 1.00 1.00 C ATOM 300 C ALA A 22 -10.140 -5.190 -9.949 1.00 1.00 C ATOM 301 O ALA A 22 -10.970 -6.091 -9.802 1.00 1.00 O ATOM 302 CB ALA A 22 -8.306 -6.725 -10.640 1.00 1.00 C ATOM 0 H ALA A 22 -7.152 -4.563 -10.209 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.331 -5.335 -11.917 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.040 -7.519 -10.778 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.485 -6.864 -11.343 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.921 -6.760 -9.621 1.00 1.00 H new ATOM 308 N LYS A 23 -10.210 -4.025 -9.312 1.00 1.00 N ATOM 309 CA LYS A 23 -11.280 -3.712 -8.375 1.00 1.00 C ATOM 310 C LYS A 23 -11.200 -4.602 -7.146 1.00 1.00 C ATOM 311 O LYS A 23 -12.210 -4.880 -6.499 1.00 1.00 O ATOM 312 CB LYS A 23 -12.640 -3.900 -9.048 1.00 1.00 C ATOM 313 CG LYS A 23 -12.660 -3.171 -10.390 1.00 1.00 C ATOM 314 CD LYS A 23 -12.480 -1.664 -10.160 1.00 1.00 C ATOM 315 CE LYS A 23 -12.940 -0.897 -11.400 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.430 -0.838 -11.410 1.00 1.00 N ATOM 0 H LYS A 23 -9.529 -3.275 -9.431 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.165 -2.673 -8.066 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.838 -4.961 -9.198 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.431 -3.516 -8.404 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.864 -3.549 -11.032 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.602 -3.361 -10.904 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.055 -1.347 -9.290 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.434 -1.441 -9.949 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.523 0.110 -11.396 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -12.577 -1.388 -12.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -14.744 -0.106 -12.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -14.812 -1.760 -11.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -14.775 -0.607 -10.456 1.00 1.00 H new ATOM 330 N ASN A 24 -9.990 -5.043 -6.818 1.00 1.00 N ATOM 331 CA ASN A 24 -9.784 -5.898 -5.651 1.00 1.00 C ATOM 332 C ASN A 24 -9.286 -5.058 -4.471 1.00 1.00 C ATOM 333 O ASN A 24 -8.140 -5.158 -4.059 1.00 1.00 O ATOM 334 CB ASN A 24 -8.765 -7.009 -5.999 1.00 1.00 C ATOM 335 CG ASN A 24 -9.460 -8.355 -6.182 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.600 -8.414 -6.629 1.00 1.00 O ATOM 337 ND2 ASN A 24 -8.821 -9.442 -5.848 1.00 1.00 N ATOM 0 H ASN A 24 -9.141 -4.825 -7.339 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.728 -6.363 -5.367 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.232 -6.745 -6.912 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.021 -7.085 -5.206 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.270 -10.351 -5.958 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.873 -9.383 -5.477 1.00 1.00 H new ATOM 344 N TYR A 25 -10.150 -4.223 -3.938 1.00 1.00 N ATOM 345 CA TYR A 25 -9.789 -3.372 -2.816 1.00 1.00 C ATOM 346 C TYR A 25 -9.300 -4.210 -1.642 1.00 1.00 C ATOM 347 O TYR A 25 -8.322 -3.857 -0.988 1.00 1.00 O ATOM 348 CB TYR A 25 -10.990 -2.541 -2.384 1.00 1.00 C ATOM 349 CG TYR A 25 -11.710 -2.018 -3.608 1.00 1.00 C ATOM 350 CD1 TYR A 25 -10.990 -1.418 -4.656 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.110 -2.129 -3.694 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.670 -0.939 -5.780 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.780 -1.646 -4.822 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.060 -1.052 -5.866 1.00 1.00 C ATOM 355 OH TYR A 25 -13.720 -0.576 -6.978 1.00 1.00 O ATOM 0 H TYR A 25 -11.111 -4.112 -4.261 1.00 1.00 H new ATOM 0 HA TYR A 25 -8.984 -2.709 -3.134 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.667 -3.147 -1.782 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.664 -1.710 -1.758 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -9.916 -1.327 -4.593 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.666 -2.587 -2.890 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.118 -0.479 -6.586 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -14.855 -1.731 -4.888 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.682 -0.734 -6.880 1.00 1.00 H new ATOM 365 N GLU A 26 -9.983 -5.312 -1.366 1.00 1.00 N ATOM 366 CA GLU A 26 -9.588 -6.167 -0.252 1.00 1.00 C ATOM 367 C GLU A 26 -8.162 -6.694 -0.443 1.00 1.00 C ATOM 368 O GLU A 26 -7.303 -6.545 0.440 1.00 1.00 O ATOM 369 CB GLU A 26 -10.570 -7.348 -0.156 1.00 1.00 C ATOM 370 CG GLU A 26 -11.740 -6.982 0.754 1.00 1.00 C ATOM 371 CD GLU A 26 -12.760 -8.115 0.768 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.560 -8.182 -0.158 1.00 1.00 O ATOM 373 OE2 GLU A 26 -12.740 -8.901 1.700 1.00 1.00 O ATOM 0 H GLU A 26 -10.799 -5.633 -1.887 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.612 -5.582 0.668 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.938 -7.607 -1.149 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.057 -8.227 0.233 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.380 -6.792 1.765 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.210 -6.062 0.405 1.00 1.00 H new ATOM 380 N GLU A 27 -7.910 -7.302 -1.596 1.00 1.00 N ATOM 381 CA GLU A 27 -6.586 -7.843 -1.878 1.00 1.00 C ATOM 382 C GLU A 27 -5.575 -6.705 -1.994 1.00 1.00 C ATOM 383 O GLU A 27 -4.463 -6.776 -1.494 1.00 1.00 O ATOM 384 CB GLU A 27 -6.613 -8.655 -3.183 1.00 1.00 C ATOM 385 CG GLU A 27 -5.526 -9.727 -3.162 1.00 1.00 C ATOM 386 CD GLU A 27 -5.926 -10.850 -2.222 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.047 -10.830 -1.737 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.109 -11.730 -2.003 1.00 1.00 O ATOM 0 H GLU A 27 -8.594 -7.432 -2.341 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.291 -8.501 -1.060 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.590 -9.121 -3.309 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.463 -7.992 -4.035 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.371 -10.120 -4.167 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.580 -9.292 -2.841 1.00 1.00 H new ATOM 395 N ALA A 28 -5.951 -5.654 -2.681 1.00 1.00 N ATOM 396 CA ALA A 28 -5.046 -4.538 -2.850 1.00 1.00 C ATOM 397 C ALA A 28 -4.673 -3.945 -1.503 1.00 1.00 C ATOM 398 O ALA A 28 -3.506 -3.640 -1.257 1.00 1.00 O ATOM 399 CB ALA A 28 -5.697 -3.466 -3.718 1.00 1.00 C ATOM 0 H ALA A 28 -6.862 -5.545 -3.127 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.141 -4.899 -3.338 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.009 -2.629 -3.840 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -5.936 -3.885 -4.695 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.612 -3.116 -3.239 1.00 1.00 H new ATOM 405 N LEU A 29 -5.660 -3.774 -0.629 1.00 1.00 N ATOM 406 CA LEU A 29 -5.416 -3.191 0.679 1.00 1.00 C ATOM 407 C LEU A 29 -4.412 -3.986 1.493 1.00 1.00 C ATOM 408 O LEU A 29 -3.486 -3.411 2.075 1.00 1.00 O ATOM 409 CB LEU A 29 -6.745 -3.142 1.456 1.00 1.00 C ATOM 410 CG LEU A 29 -6.508 -2.764 2.934 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.075 -1.320 3.043 1.00 1.00 C ATOM 412 CD2 LEU A 29 -7.782 -2.987 3.737 1.00 1.00 C ATOM 0 H LEU A 29 -6.631 -4.031 -0.805 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.004 -2.194 0.522 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.414 -2.416 0.994 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.239 -4.112 1.400 1.00 1.00 H new ATOM 0 HG LEU A 29 -5.717 -3.398 3.336 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -5.911 -1.067 4.091 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.149 -1.175 2.486 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -6.851 -0.675 2.631 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -7.607 -2.718 4.779 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -8.581 -2.367 3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.071 -4.036 3.677 1.00 1.00 H new ATOM 424 N ARG A 30 -4.602 -5.293 1.567 1.00 1.00 N ATOM 425 CA ARG A 30 -3.700 -6.105 2.367 1.00 1.00 C ATOM 426 C ARG A 30 -2.281 -5.990 1.833 1.00 1.00 C ATOM 427 O ARG A 30 -1.314 -5.909 2.596 1.00 1.00 O ATOM 428 CB ARG A 30 -4.186 -7.558 2.357 1.00 1.00 C ATOM 429 CG ARG A 30 -3.798 -8.224 1.049 1.00 1.00 C ATOM 430 CD ARG A 30 -4.540 -9.543 0.880 1.00 1.00 C ATOM 431 NE ARG A 30 -4.082 -10.500 1.871 1.00 1.00 N ATOM 432 CZ ARG A 30 -4.672 -11.680 2.002 1.00 1.00 C ATOM 433 NH1 ARG A 30 -5.675 -11.990 1.231 1.00 1.00 N ATOM 434 NH2 ARG A 30 -4.245 -12.510 2.903 1.00 1.00 N ATOM 0 H ARG A 30 -5.350 -5.803 1.098 1.00 1.00 H new ATOM 0 HA ARG A 30 -3.695 -5.749 3.397 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -3.751 -8.102 3.195 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -5.268 -7.590 2.484 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -4.028 -7.561 0.215 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -2.723 -8.400 1.029 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -5.613 -9.382 0.986 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -4.374 -9.937 -0.123 1.00 1.00 H new ATOM 0 HE ARG A 30 -3.295 -10.261 2.475 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -6.004 -11.326 0.530 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.132 -12.897 1.328 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -3.462 -12.252 3.503 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -4.693 -13.420 3.011 1.00 1.00 H new ATOM 448 N LEU A 31 -2.167 -5.989 0.514 1.00 1.00 N ATOM 449 CA LEU A 31 -0.858 -5.885 -0.113 1.00 1.00 C ATOM 450 C LEU A 31 -0.229 -4.534 0.200 1.00 1.00 C ATOM 451 O LEU A 31 0.975 -4.437 0.440 1.00 1.00 O ATOM 452 CB LEU A 31 -0.981 -6.065 -1.626 1.00 1.00 C ATOM 453 CG LEU A 31 -1.501 -7.474 -1.930 1.00 1.00 C ATOM 454 CD1 LEU A 31 -1.959 -7.537 -3.384 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.403 -8.521 -1.692 1.00 1.00 C ATOM 0 H LEU A 31 -2.951 -6.058 -0.135 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.218 -6.672 0.286 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.660 -5.318 -2.038 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.012 -5.912 -2.101 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.337 -7.692 -1.265 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.330 -8.538 -3.606 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.755 -6.811 -3.546 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.119 -7.308 -4.040 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -0.793 -9.514 -1.914 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.447 -8.311 -2.342 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.082 -8.481 -0.651 1.00 1.00 H new ATOM 467 N TYR A 32 -1.052 -3.491 0.188 1.00 1.00 N ATOM 468 CA TYR A 32 -0.557 -2.145 0.464 1.00 1.00 C ATOM 469 C TYR A 32 0.059 -2.072 1.859 1.00 1.00 C ATOM 470 O TYR A 32 1.164 -1.550 2.037 1.00 1.00 O ATOM 471 CB TYR A 32 -1.712 -1.124 0.357 1.00 1.00 C ATOM 472 CG TYR A 32 -1.877 -0.658 -1.079 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.822 0.005 -1.726 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.075 -0.897 -1.766 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.970 0.425 -3.052 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.215 -0.482 -3.091 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.166 0.176 -3.732 1.00 1.00 C ATOM 478 OH TYR A 32 -2.307 0.577 -5.040 1.00 1.00 O ATOM 0 H TYR A 32 -2.052 -3.548 -0.007 1.00 1.00 H new ATOM 0 HA TYR A 32 0.210 -1.906 -0.272 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.639 -1.577 0.708 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.511 -0.269 1.002 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.103 0.191 -1.200 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.890 -1.403 -1.270 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.162 0.941 -3.550 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.137 -0.671 -3.621 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.197 0.327 -5.365 1.00 1.00 H new ATOM 488 N GLN A 33 -0.659 -2.595 2.838 1.00 1.00 N ATOM 489 CA GLN A 33 -0.176 -2.574 4.207 1.00 1.00 C ATOM 490 C GLN A 33 1.120 -3.370 4.329 1.00 1.00 C ATOM 491 O GLN A 33 2.070 -2.940 4.993 1.00 1.00 O ATOM 492 CB GLN A 33 -1.239 -3.169 5.136 1.00 1.00 C ATOM 493 CG GLN A 33 -2.473 -2.261 5.160 1.00 1.00 C ATOM 494 CD GLN A 33 -3.522 -2.832 6.109 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.296 -3.866 6.738 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.661 -2.212 6.256 1.00 1.00 N ATOM 0 H GLN A 33 -1.570 -3.036 2.712 1.00 1.00 H new ATOM 0 HA GLN A 33 0.022 -1.541 4.494 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.516 -4.166 4.795 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -0.836 -3.277 6.143 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.190 -1.258 5.478 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -2.889 -2.172 4.156 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -4.846 -1.355 5.734 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.366 -2.584 6.893 1.00 1.00 H new ATOM 505 N HIS A 34 1.160 -4.527 3.681 1.00 1.00 N ATOM 506 CA HIS A 34 2.353 -5.368 3.730 1.00 1.00 C ATOM 507 C HIS A 34 3.540 -4.648 3.085 1.00 1.00 C ATOM 508 O HIS A 34 4.626 -4.570 3.664 1.00 1.00 O ATOM 509 CB HIS A 34 2.074 -6.693 2.994 1.00 1.00 C ATOM 510 CG HIS A 34 1.489 -7.699 3.948 1.00 1.00 C ATOM 511 ND1 HIS A 34 0.212 -8.211 3.794 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.997 -8.284 5.077 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.006 -9.066 4.810 1.00 1.00 C ATOM 514 NE2 HIS A 34 1.052 -9.147 5.622 1.00 1.00 N ATOM 0 H HIS A 34 0.393 -4.902 3.123 1.00 1.00 H new ATOM 0 HA HIS A 34 2.601 -5.576 4.771 1.00 1.00 H new ATOM 0 HB2 HIS A 34 1.385 -6.521 2.167 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.997 -7.081 2.564 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -0.444 -7.982 3.047 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.981 -8.103 5.483 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -0.923 -9.619 4.952 1.00 1.00 H new ATOM 523 N ALA A 35 3.323 -4.120 1.890 1.00 1.00 N ATOM 524 CA ALA A 35 4.378 -3.414 1.176 1.00 1.00 C ATOM 525 C ALA A 35 4.992 -2.347 2.072 1.00 1.00 C ATOM 526 O ALA A 35 6.215 -2.257 2.202 1.00 1.00 O ATOM 527 CB ALA A 35 3.795 -2.756 -0.088 1.00 1.00 C ATOM 0 H ALA A 35 2.432 -4.166 1.396 1.00 1.00 H new ATOM 0 HA ALA A 35 5.152 -4.126 0.891 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.586 -2.228 -0.621 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.371 -3.524 -0.735 1.00 1.00 H new ATOM 0 HB3 ALA A 35 3.015 -2.050 0.196 1.00 1.00 H new ATOM 533 N VAL A 36 4.138 -1.542 2.683 1.00 1.00 N ATOM 534 CA VAL A 36 4.614 -0.481 3.555 1.00 1.00 C ATOM 535 C VAL A 36 5.464 -1.061 4.674 1.00 1.00 C ATOM 536 O VAL A 36 6.535 -0.564 4.967 1.00 1.00 O ATOM 537 CB VAL A 36 3.428 0.306 4.149 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.940 1.227 5.275 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.740 1.145 3.038 1.00 1.00 C ATOM 0 H VAL A 36 3.124 -1.601 2.593 1.00 1.00 H new ATOM 0 HA VAL A 36 5.224 0.202 2.963 1.00 1.00 H new ATOM 0 HB VAL A 36 2.697 -0.391 4.560 1.00 1.00 H new ATOM 0 HG11 VAL A 36 3.104 1.785 5.697 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.405 0.624 6.055 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.674 1.924 4.870 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.903 1.698 3.465 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.459 1.846 2.613 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.374 0.481 2.255 1.00 1.00 H new ATOM 549 N GLU A 37 4.998 -2.125 5.280 1.00 1.00 N ATOM 550 CA GLU A 37 5.753 -2.736 6.365 1.00 1.00 C ATOM 551 C GLU A 37 7.186 -3.041 5.933 1.00 1.00 C ATOM 552 O GLU A 37 8.142 -2.699 6.629 1.00 1.00 O ATOM 553 CB GLU A 37 5.068 -4.026 6.787 1.00 1.00 C ATOM 554 CG GLU A 37 5.589 -4.457 8.157 1.00 1.00 C ATOM 555 CD GLU A 37 4.850 -5.706 8.627 1.00 1.00 C ATOM 556 OE1 GLU A 37 4.165 -6.306 7.814 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.977 -6.043 9.793 1.00 1.00 O ATOM 0 H GLU A 37 4.117 -2.585 5.052 1.00 1.00 H new ATOM 0 HA GLU A 37 5.787 -2.036 7.200 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.988 -3.881 6.826 1.00 1.00 H new ATOM 0 HB3 GLU A 37 5.258 -4.808 6.052 1.00 1.00 H new ATOM 0 HG2 GLU A 37 6.659 -4.657 8.102 1.00 1.00 H new ATOM 0 HG3 GLU A 37 5.452 -3.651 8.877 1.00 1.00 H new ATOM 564 N TYR A 38 7.323 -3.686 4.786 1.00 1.00 N ATOM 565 CA TYR A 38 8.649 -4.030 4.282 1.00 1.00 C ATOM 566 C TYR A 38 9.469 -2.766 4.026 1.00 1.00 C ATOM 567 O TYR A 38 10.675 -2.738 4.271 1.00 1.00 O ATOM 568 CB TYR A 38 8.537 -4.848 2.985 1.00 1.00 C ATOM 569 CG TYR A 38 8.294 -6.306 3.311 1.00 1.00 C ATOM 570 CD1 TYR A 38 7.118 -6.690 3.960 1.00 1.00 C ATOM 571 CD2 TYR A 38 9.251 -7.271 2.968 1.00 1.00 C ATOM 572 CE1 TYR A 38 6.895 -8.036 4.266 1.00 1.00 C ATOM 573 CE2 TYR A 38 9.027 -8.616 3.274 1.00 1.00 C ATOM 574 CZ TYR A 38 7.849 -8.999 3.922 1.00 1.00 C ATOM 575 OH TYR A 38 7.629 -10.320 4.225 1.00 1.00 O ATOM 0 H TYR A 38 6.548 -3.980 4.192 1.00 1.00 H new ATOM 0 HA TYR A 38 9.154 -4.632 5.038 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.722 -4.463 2.372 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.451 -4.745 2.401 1.00 1.00 H new ATOM 0 HD1 TYR A 38 6.381 -5.947 4.226 1.00 1.00 H new ATOM 0 HD2 TYR A 38 10.161 -6.975 2.467 1.00 1.00 H new ATOM 0 HE1 TYR A 38 5.986 -8.332 4.768 1.00 1.00 H new ATOM 0 HE2 TYR A 38 9.764 -9.360 3.010 1.00 1.00 H new ATOM 0 HH TYR A 38 8.388 -10.857 3.917 1.00 1.00 H new ATOM 585 N PHE A 39 8.811 -1.729 3.529 1.00 1.00 N ATOM 586 CA PHE A 39 9.501 -0.475 3.245 1.00 1.00 C ATOM 587 C PHE A 39 10.091 0.131 4.525 1.00 1.00 C ATOM 588 O PHE A 39 11.276 0.480 4.571 1.00 1.00 O ATOM 589 CB PHE A 39 8.518 0.516 2.592 1.00 1.00 C ATOM 590 CG PHE A 39 8.455 0.287 1.088 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.605 0.473 0.307 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.254 -0.103 0.472 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.555 0.267 -1.076 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.209 -0.312 -0.915 1.00 1.00 C ATOM 595 CZ PHE A 39 8.360 -0.127 -1.686 1.00 1.00 C ATOM 0 H PHE A 39 7.814 -1.727 3.316 1.00 1.00 H new ATOM 0 HA PHE A 39 10.324 -0.677 2.559 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.526 0.394 3.027 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.833 1.539 2.798 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.531 0.776 0.774 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.364 -0.242 1.067 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.442 0.413 -1.674 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.286 -0.616 -1.386 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.326 -0.288 -2.753 1.00 1.00 H new ATOM 605 N LEU A 40 9.268 0.235 5.561 1.00 1.00 N ATOM 606 CA LEU A 40 9.716 0.777 6.824 1.00 1.00 C ATOM 607 C LEU A 40 10.832 -0.081 7.399 1.00 1.00 C ATOM 608 O LEU A 40 11.812 0.427 7.948 1.00 1.00 O ATOM 609 CB LEU A 40 8.530 0.823 7.781 1.00 1.00 C ATOM 610 CG LEU A 40 7.702 2.092 7.526 1.00 1.00 C ATOM 611 CD1 LEU A 40 8.433 3.347 8.046 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.416 2.263 6.033 1.00 1.00 C ATOM 0 H LEU A 40 8.289 -0.050 5.545 1.00 1.00 H new ATOM 0 HA LEU A 40 10.108 1.784 6.678 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.907 -0.061 7.645 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.883 0.809 8.812 1.00 1.00 H new ATOM 0 HG LEU A 40 6.761 1.979 8.065 1.00 1.00 H new ATOM 0 HD11 LEU A 40 7.824 4.230 7.852 1.00 1.00 H new ATOM 0 HD12 LEU A 40 8.602 3.251 9.119 1.00 1.00 H new ATOM 0 HD13 LEU A 40 9.391 3.448 7.535 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.829 3.168 5.876 1.00 1.00 H new ATOM 0 HD22 LEU A 40 8.357 2.343 5.489 1.00 1.00 H new ATOM 0 HD23 LEU A 40 6.858 1.401 5.668 1.00 1.00 H new ATOM 624 N HIS A 41 10.693 -1.384 7.252 1.00 1.00 N ATOM 625 CA HIS A 41 11.704 -2.294 7.751 1.00 1.00 C ATOM 626 C HIS A 41 13.000 -2.124 6.958 1.00 1.00 C ATOM 627 O HIS A 41 14.086 -2.338 7.466 1.00 1.00 O ATOM 628 CB HIS A 41 11.200 -3.740 7.647 1.00 1.00 C ATOM 629 CG HIS A 41 11.951 -4.611 8.620 1.00 1.00 C ATOM 630 ND1 HIS A 41 13.100 -5.297 8.263 1.00 1.00 N ATOM 631 CD2 HIS A 41 11.732 -4.906 9.943 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.526 -5.966 9.350 1.00 1.00 C ATOM 633 NE2 HIS A 41 12.729 -5.762 10.401 1.00 1.00 N ATOM 0 H HIS A 41 9.898 -1.832 6.796 1.00 1.00 H new ATOM 0 HA HIS A 41 11.905 -2.066 8.798 1.00 1.00 H new ATOM 0 HB2 HIS A 41 10.132 -3.779 7.859 1.00 1.00 H new ATOM 0 HB3 HIS A 41 11.337 -4.111 6.631 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.912 -4.531 10.537 1.00 1.00 H new ATOM 0 HE1 HIS A 41 14.406 -6.592 9.370 1.00 1.00 H new ATOM 0 HE2 HIS A 41 12.829 -6.150 11.339 1.00 1.00 H new ATOM 642 N ALA A 42 12.887 -1.754 5.704 1.00 1.00 N ATOM 643 CA ALA A 42 14.068 -1.580 4.882 1.00 1.00 C ATOM 644 C ALA A 42 14.871 -0.358 5.316 1.00 1.00 C ATOM 645 O ALA A 42 16.070 -0.427 5.533 1.00 1.00 O ATOM 646 CB ALA A 42 13.663 -1.402 3.427 1.00 1.00 C ATOM 0 H ALA A 42 12.002 -1.569 5.232 1.00 1.00 H new ATOM 0 HA ALA A 42 14.686 -2.470 4.999 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.555 -1.272 2.814 1.00 1.00 H new ATOM 0 HB2 ALA A 42 13.117 -2.284 3.091 1.00 1.00 H new ATOM 0 HB3 ALA A 42 13.026 -0.523 3.332 1.00 1.00 H new ATOM 652 N ILE A 43 14.198 0.756 5.501 1.00 1.00 N ATOM 653 CA ILE A 43 14.891 1.961 5.934 1.00 1.00 C ATOM 654 C ILE A 43 15.491 1.784 7.326 1.00 1.00 C ATOM 655 O ILE A 43 16.533 2.353 7.630 1.00 1.00 O ATOM 656 CB ILE A 43 13.934 3.139 5.917 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.662 2.765 6.668 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.577 3.482 4.476 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.698 3.959 6.723 1.00 1.00 C ATOM 0 H ILE A 43 13.193 0.859 5.363 1.00 1.00 H new ATOM 0 HA ILE A 43 15.710 2.153 5.241 1.00 1.00 H new ATOM 0 HB ILE A 43 14.407 3.998 6.393 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.177 1.921 6.176 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.911 2.444 7.680 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.890 4.328 4.463 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.483 3.742 3.929 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.102 2.622 4.004 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.795 3.673 7.263 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.179 4.792 7.236 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.434 4.261 5.709 1.00 1.00 H new ATOM 671 N LYS A 44 14.837 0.997 8.176 1.00 1.00 N ATOM 672 CA LYS A 44 15.355 0.773 9.530 1.00 1.00 C ATOM 673 C LYS A 44 16.422 -0.298 9.566 1.00 1.00 C ATOM 674 O LYS A 44 17.471 -0.132 10.190 1.00 1.00 O ATOM 675 CB LYS A 44 14.239 0.320 10.456 1.00 1.00 C ATOM 676 CG LYS A 44 13.244 1.424 10.606 1.00 1.00 C ATOM 677 CD LYS A 44 12.149 1.009 11.584 1.00 1.00 C ATOM 678 CE LYS A 44 11.080 2.093 11.632 1.00 1.00 C ATOM 679 NZ LYS A 44 10.044 1.737 12.648 1.00 1.00 N ATOM 0 H LYS A 44 13.966 0.511 7.962 1.00 1.00 H new ATOM 0 HA LYS A 44 15.780 1.723 9.853 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.755 -0.569 10.053 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.647 0.047 11.429 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.740 2.326 10.964 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.806 1.664 9.637 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.709 0.061 11.274 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.572 0.855 12.577 1.00 1.00 H new ATOM 0 HE2 LYS A 44 11.533 3.052 11.882 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.618 2.204 10.651 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 9.317 2.480 12.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 9.603 0.831 12.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 10.490 1.652 13.584 1.00 1.00 H new ATOM 802 N ALA A 52 17.318 8.094 -0.710 1.00 1.00 N ATOM 803 CA ALA A 52 16.535 6.875 -0.816 1.00 1.00 C ATOM 804 C ALA A 52 15.487 6.840 0.289 1.00 1.00 C ATOM 805 O ALA A 52 14.316 6.639 0.033 1.00 1.00 O ATOM 806 CB ALA A 52 17.453 5.669 -0.676 1.00 1.00 C ATOM 0 HA ALA A 52 16.040 6.849 -1.787 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.866 4.754 -0.755 1.00 1.00 H new ATOM 0 HB2 ALA A 52 18.203 5.689 -1.467 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.948 5.699 0.295 1.00 1.00 H new ATOM 812 N LYS A 53 15.923 7.035 1.524 1.00 1.00 N ATOM 813 CA LYS A 53 15.003 6.997 2.646 1.00 1.00 C ATOM 814 C LYS A 53 13.818 7.923 2.404 1.00 1.00 C ATOM 815 O LYS A 53 12.664 7.514 2.522 1.00 1.00 O ATOM 816 CB LYS A 53 15.736 7.427 3.940 1.00 1.00 C ATOM 817 CG LYS A 53 15.628 6.332 5.028 1.00 1.00 C ATOM 818 CD LYS A 53 16.809 5.336 4.917 1.00 1.00 C ATOM 819 CE LYS A 53 17.832 5.632 6.000 1.00 1.00 C ATOM 820 NZ LYS A 53 17.173 5.585 7.334 1.00 1.00 N ATOM 0 H LYS A 53 16.895 7.219 1.771 1.00 1.00 H new ATOM 0 HA LYS A 53 14.634 5.977 2.753 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.785 7.624 3.720 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.309 8.358 4.312 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.625 6.792 6.016 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.684 5.798 4.922 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.445 4.313 5.017 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.273 5.415 3.934 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.643 4.905 5.958 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.276 6.614 5.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 17.819 5.154 8.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.935 6.551 7.638 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 16.304 5.018 7.272 1.00 1.00 H new ATOM 834 N GLU A 54 14.110 9.170 2.073 1.00 1.00 N ATOM 835 CA GLU A 54 13.059 10.137 1.833 1.00 1.00 C ATOM 836 C GLU A 54 12.077 9.587 0.816 1.00 1.00 C ATOM 837 O GLU A 54 10.863 9.764 0.953 1.00 1.00 O ATOM 838 CB GLU A 54 13.678 11.451 1.323 1.00 1.00 C ATOM 839 CG GLU A 54 14.036 12.354 2.502 1.00 1.00 C ATOM 840 CD GLU A 54 14.697 13.632 1.994 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.739 13.813 0.788 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.147 14.410 2.819 1.00 1.00 O ATOM 0 H GLU A 54 15.058 9.531 1.966 1.00 1.00 H new ATOM 0 HA GLU A 54 12.525 10.334 2.763 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.570 11.238 0.734 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.976 11.961 0.664 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.138 12.599 3.070 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.709 11.831 3.181 1.00 1.00 H new ATOM 849 N SER A 55 12.597 8.908 -0.194 1.00 1.00 N ATOM 850 CA SER A 55 11.727 8.337 -1.203 1.00 1.00 C ATOM 851 C SER A 55 10.793 7.304 -0.578 1.00 1.00 C ATOM 852 O SER A 55 9.601 7.268 -0.884 1.00 1.00 O ATOM 853 CB SER A 55 12.550 7.680 -2.316 1.00 1.00 C ATOM 854 OG SER A 55 11.696 6.895 -3.135 1.00 1.00 O ATOM 0 H SER A 55 13.594 8.742 -0.334 1.00 1.00 H new ATOM 0 HA SER A 55 11.132 9.143 -1.632 1.00 1.00 H new ATOM 0 HB2 SER A 55 13.046 8.443 -2.916 1.00 1.00 H new ATOM 0 HB3 SER A 55 13.332 7.056 -1.884 1.00 1.00 H new ATOM 0 HG SER A 55 12.221 6.476 -3.848 1.00 1.00 H new ATOM 860 N ILE A 56 11.342 6.451 0.285 1.00 1.00 N ATOM 861 CA ILE A 56 10.543 5.411 0.915 1.00 1.00 C ATOM 862 C ILE A 56 9.475 6.020 1.821 1.00 1.00 C ATOM 863 O ILE A 56 8.311 5.656 1.750 1.00 1.00 O ATOM 864 CB ILE A 56 11.447 4.498 1.760 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.671 4.057 0.947 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.669 3.254 2.206 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.246 3.526 -0.411 1.00 1.00 C ATOM 0 H ILE A 56 12.324 6.461 0.559 1.00 1.00 H new ATOM 0 HA ILE A 56 10.057 4.834 0.128 1.00 1.00 H new ATOM 0 HB ILE A 56 11.777 5.058 2.635 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.351 4.899 0.818 1.00 1.00 H new ATOM 0 HG13 ILE A 56 13.217 3.286 1.491 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.318 2.614 2.804 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.809 3.557 2.803 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.326 2.705 1.329 1.00 1.00 H new ATOM 0 HD11 ILE A 56 13.127 3.218 -0.973 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.584 2.670 -0.276 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.721 4.308 -0.959 1.00 1.00 H new ATOM 879 N ARG A 57 9.893 6.945 2.676 1.00 1.00 N ATOM 880 CA ARG A 57 8.957 7.584 3.597 1.00 1.00 C ATOM 881 C ARG A 57 7.780 8.180 2.826 1.00 1.00 C ATOM 882 O ARG A 57 6.620 7.847 3.084 1.00 1.00 O ATOM 883 CB ARG A 57 9.668 8.687 4.375 1.00 1.00 C ATOM 884 CG ARG A 57 10.793 8.074 5.208 1.00 1.00 C ATOM 885 CD ARG A 57 11.426 9.159 6.085 1.00 1.00 C ATOM 886 NE ARG A 57 12.528 8.604 6.863 1.00 1.00 N ATOM 887 CZ ARG A 57 13.281 9.378 7.636 1.00 1.00 C ATOM 888 NH1 ARG A 57 13.040 10.659 7.710 1.00 1.00 N ATOM 889 NH2 ARG A 57 14.263 8.858 8.320 1.00 1.00 N ATOM 0 H ARG A 57 10.858 7.267 2.752 1.00 1.00 H new ATOM 0 HA ARG A 57 8.583 6.833 4.292 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.073 9.430 3.687 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.961 9.204 5.023 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.402 7.269 5.831 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.546 7.634 4.554 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.788 9.975 5.460 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.675 9.579 6.754 1.00 1.00 H new ATOM 0 HE ARG A 57 12.724 7.604 6.812 1.00 1.00 H new ATOM 0 HH11 ARG A 57 12.273 11.065 7.174 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.618 11.253 8.304 1.00 1.00 H new ATOM 0 HH21 ARG A 57 14.452 7.857 8.261 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.842 9.452 8.914 1.00 1.00 H new ATOM 903 N ALA A 58 8.073 9.076 1.897 1.00 1.00 N ATOM 904 CA ALA A 58 7.020 9.714 1.124 1.00 1.00 C ATOM 905 C ALA A 58 6.088 8.666 0.515 1.00 1.00 C ATOM 906 O ALA A 58 4.861 8.742 0.659 1.00 1.00 O ATOM 907 CB ALA A 58 7.648 10.552 0.009 1.00 1.00 C ATOM 0 H ALA A 58 9.019 9.375 1.662 1.00 1.00 H new ATOM 0 HA ALA A 58 6.436 10.354 1.785 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.861 11.032 -0.573 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.293 11.315 0.446 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.239 9.907 -0.642 1.00 1.00 H new ATOM 913 N LYS A 59 6.673 7.686 -0.166 1.00 1.00 N ATOM 914 CA LYS A 59 5.880 6.640 -0.804 1.00 1.00 C ATOM 915 C LYS A 59 5.065 5.868 0.228 1.00 1.00 C ATOM 916 O LYS A 59 3.899 5.545 0.008 1.00 1.00 O ATOM 917 CB LYS A 59 6.810 5.681 -1.578 1.00 1.00 C ATOM 918 CG LYS A 59 6.187 5.359 -2.935 1.00 1.00 C ATOM 919 CD LYS A 59 6.355 6.564 -3.890 1.00 1.00 C ATOM 920 CE LYS A 59 5.049 6.801 -4.637 1.00 1.00 C ATOM 921 NZ LYS A 59 5.189 7.993 -5.517 1.00 1.00 N ATOM 0 H LYS A 59 7.681 7.594 -0.290 1.00 1.00 H new ATOM 0 HA LYS A 59 5.184 7.107 -1.501 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.790 6.138 -1.714 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.962 4.764 -1.008 1.00 1.00 H new ATOM 0 HG2 LYS A 59 6.662 4.476 -3.363 1.00 1.00 H new ATOM 0 HG3 LYS A 59 5.129 5.125 -2.813 1.00 1.00 H new ATOM 0 HD2 LYS A 59 6.631 7.454 -3.325 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.162 6.372 -4.597 1.00 1.00 H new ATOM 0 HE2 LYS A 59 4.794 5.924 -5.232 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.235 6.953 -3.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.435 8.676 -5.299 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 6.115 8.437 -5.355 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.114 7.700 -6.512 1.00 1.00 H new ATOM 935 N CYS A 60 5.700 5.570 1.342 1.00 1.00 N ATOM 936 CA CYS A 60 5.044 4.822 2.409 1.00 1.00 C ATOM 937 C CYS A 60 3.735 5.491 2.782 1.00 1.00 C ATOM 938 O CYS A 60 2.717 4.823 2.959 1.00 1.00 O ATOM 939 CB CYS A 60 5.945 4.737 3.643 1.00 1.00 C ATOM 940 SG CYS A 60 7.373 3.690 3.282 1.00 1.00 S ATOM 0 H CYS A 60 6.667 5.830 1.538 1.00 1.00 H new ATOM 0 HA CYS A 60 4.847 3.812 2.048 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.277 5.734 3.933 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.387 4.329 4.486 1.00 1.00 H new ATOM 0 HG CYS A 60 8.011 4.166 2.254 1.00 1.00 H new ATOM 946 N VAL A 61 3.760 6.812 2.882 1.00 1.00 N ATOM 947 CA VAL A 61 2.550 7.546 3.214 1.00 1.00 C ATOM 948 C VAL A 61 1.515 7.361 2.112 1.00 1.00 C ATOM 949 O VAL A 61 0.352 7.067 2.381 1.00 1.00 O ATOM 950 CB VAL A 61 2.870 9.030 3.366 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.594 9.805 3.699 1.00 1.00 C ATOM 952 CG2 VAL A 61 3.890 9.212 4.485 1.00 1.00 C ATOM 0 H VAL A 61 4.590 7.388 2.741 1.00 1.00 H new ATOM 0 HA VAL A 61 2.150 7.164 4.153 1.00 1.00 H new ATOM 0 HB VAL A 61 3.282 9.410 2.431 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.829 10.864 3.806 1.00 1.00 H new ATOM 0 HG12 VAL A 61 0.869 9.674 2.896 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.174 9.430 4.632 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.122 10.271 4.597 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.478 8.830 5.419 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.801 8.665 4.240 1.00 1.00 H new ATOM 962 N GLN A 62 1.940 7.557 0.864 1.00 1.00 N ATOM 963 CA GLN A 62 1.021 7.422 -0.266 1.00 1.00 C ATOM 964 C GLN A 62 0.341 6.056 -0.237 1.00 1.00 C ATOM 965 O GLN A 62 -0.882 5.950 -0.389 1.00 1.00 O ATOM 966 CB GLN A 62 1.792 7.578 -1.580 1.00 1.00 C ATOM 967 CG GLN A 62 2.438 8.965 -1.626 1.00 1.00 C ATOM 968 CD GLN A 62 3.251 9.126 -2.905 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.760 8.835 -3.997 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.476 9.564 -2.830 1.00 1.00 N ATOM 0 H GLN A 62 2.897 7.805 0.612 1.00 1.00 H new ATOM 0 HA GLN A 62 0.260 8.199 -0.192 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.557 6.805 -1.660 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.119 7.449 -2.428 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.668 9.735 -1.577 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.082 9.103 -0.757 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.877 9.803 -1.923 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.033 9.667 -3.678 1.00 1.00 H new ATOM 979 N TYR A 63 1.136 5.012 -0.031 1.00 1.00 N ATOM 980 CA TYR A 63 0.594 3.661 0.021 1.00 1.00 C ATOM 981 C TYR A 63 -0.379 3.516 1.179 1.00 1.00 C ATOM 982 O TYR A 63 -1.498 3.026 1.002 1.00 1.00 O ATOM 983 CB TYR A 63 1.732 2.639 0.166 1.00 1.00 C ATOM 984 CG TYR A 63 2.645 2.674 -1.049 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.112 2.645 -2.345 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.033 2.741 -0.879 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.955 2.686 -3.456 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.877 2.783 -1.993 1.00 1.00 C ATOM 989 CZ TYR A 63 4.336 2.759 -3.282 1.00 1.00 C ATOM 990 OH TYR A 63 5.166 2.802 -4.380 1.00 1.00 O ATOM 0 H TYR A 63 2.146 5.074 0.101 1.00 1.00 H new ATOM 0 HA TYR A 63 0.059 3.472 -0.909 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.308 2.854 1.066 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.316 1.639 0.285 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.042 2.591 -2.484 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.453 2.760 0.116 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.537 2.661 -4.452 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.947 2.834 -1.858 1.00 1.00 H new ATOM 0 HH TYR A 63 4.741 3.326 -5.091 1.00 1.00 H new ATOM 1000 N LEU A 64 0.045 3.930 2.361 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.821 3.818 3.522 1.00 1.00 C ATOM 1002 C LEU A 64 -2.100 4.605 3.309 1.00 1.00 C ATOM 1003 O LEU A 64 -3.190 4.087 3.540 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.090 4.333 4.770 1.00 1.00 C ATOM 1005 CG LEU A 64 0.617 3.181 5.489 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.613 3.758 6.503 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.411 2.281 6.212 1.00 1.00 C ATOM 0 H LEU A 64 0.962 4.338 2.541 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.079 2.769 3.665 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.637 5.093 4.485 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.801 4.809 5.445 1.00 1.00 H new ATOM 0 HG LEU A 64 1.148 2.573 4.756 1.00 1.00 H new ATOM 0 HD11 LEU A 64 2.120 2.943 7.019 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.348 4.371 5.982 1.00 1.00 H new ATOM 0 HD13 LEU A 64 1.079 4.371 7.229 1.00 1.00 H new ATOM 0 HD21 LEU A 64 0.110 1.468 6.717 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -0.960 2.872 6.945 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.109 1.868 5.484 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.983 5.849 2.872 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.159 6.667 2.661 1.00 1.00 C ATOM 1021 C ASP A 65 -4.164 5.917 1.810 1.00 1.00 C ATOM 1022 O ASP A 65 -5.354 5.870 2.132 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.738 7.949 1.945 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.955 8.811 1.636 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -5.012 8.523 2.174 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.810 9.748 0.871 1.00 1.00 O ATOM 0 H ASP A 65 -1.096 6.307 2.660 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.619 6.906 3.620 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -2.038 8.507 2.567 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.216 7.702 1.021 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.680 5.305 0.739 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.563 4.545 -0.121 1.00 1.00 C ATOM 1033 C ARG A 66 -5.221 3.420 0.667 1.00 1.00 C ATOM 1034 O ARG A 66 -6.428 3.199 0.567 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.780 3.973 -1.298 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.384 5.106 -2.260 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.631 5.732 -2.910 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.655 4.715 -3.113 1.00 1.00 N ATOM 1039 CZ ARG A 66 -5.573 3.853 -4.120 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -4.567 3.914 -4.950 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.488 2.936 -4.271 1.00 1.00 N ATOM 0 H ARG A 66 -2.701 5.320 0.452 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.340 5.207 -0.503 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.888 3.460 -0.938 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.384 3.232 -1.823 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.828 5.871 -1.718 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.721 4.718 -3.033 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.020 6.529 -2.276 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.364 6.186 -3.864 1.00 1.00 H new ATOM 0 HE ARG A 66 -6.447 4.664 -2.472 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -3.845 4.623 -4.825 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -4.503 3.252 -5.724 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -7.267 2.880 -3.615 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.424 2.274 -5.045 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.421 2.711 1.444 1.00 1.00 N ATOM 1056 CA ALA A 67 -4.934 1.604 2.241 1.00 1.00 C ATOM 1057 C ALA A 67 -5.993 2.094 3.230 1.00 1.00 C ATOM 1058 O ALA A 67 -6.973 1.402 3.503 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.780 0.944 3.006 1.00 1.00 C ATOM 0 H ALA A 67 -3.420 2.878 1.542 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.395 0.877 1.572 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.165 0.116 3.602 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.041 0.569 2.298 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.313 1.677 3.663 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.782 3.282 3.774 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.714 3.853 4.739 1.00 1.00 C ATOM 1067 C GLU A 68 -8.078 4.085 4.116 1.00 1.00 C ATOM 1068 O GLU A 68 -9.084 3.610 4.630 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.167 5.187 5.256 1.00 1.00 C ATOM 1070 CG GLU A 68 -4.953 4.938 6.147 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.330 6.269 6.564 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.877 7.297 6.199 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.317 6.240 7.241 1.00 1.00 O ATOM 0 H GLU A 68 -4.975 3.871 3.566 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.823 3.146 5.561 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.889 5.826 4.418 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.939 5.714 5.817 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.250 4.373 7.031 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.218 4.334 5.614 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.113 4.816 3.009 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.382 5.091 2.353 1.00 1.00 C ATOM 1082 C LYS A 69 -10.040 3.789 1.888 1.00 1.00 C ATOM 1083 O LYS A 69 -11.270 3.651 1.925 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.164 6.035 1.166 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.121 5.447 0.233 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.117 6.212 -1.110 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.005 5.480 -2.126 1.00 1.00 C ATOM 1088 NZ LYS A 69 -10.240 5.010 -1.451 1.00 1.00 N ATOM 0 H LYS A 69 -7.295 5.221 2.555 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.048 5.573 3.068 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.102 6.185 0.631 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.839 7.013 1.521 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.135 5.503 0.695 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.332 4.392 0.059 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.480 7.229 -0.961 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.099 6.290 -1.492 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.259 6.146 -2.951 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -8.467 4.634 -2.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -10.866 4.558 -2.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -9.991 4.322 -0.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -10.729 5.820 -1.019 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.211 2.843 1.437 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.718 1.574 0.945 1.00 1.00 C ATOM 1104 C LEU A 70 -10.470 0.855 2.038 1.00 1.00 C ATOM 1105 O LEU A 70 -11.620 0.435 1.855 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.554 0.708 0.423 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.154 1.172 -0.995 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.727 0.720 -1.311 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.105 0.563 -2.043 1.00 1.00 C ATOM 0 H LEU A 70 -8.196 2.937 1.405 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.407 1.761 0.121 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.700 0.786 1.096 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -8.849 -0.341 0.403 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.216 2.260 -1.029 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.454 1.052 -2.313 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.039 1.153 -0.585 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -6.670 -0.367 -1.261 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.812 0.898 -3.038 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.050 -0.525 -1.995 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.126 0.884 -1.838 1.00 1.00 H new ATOM 1121 N LYS A 71 -9.847 0.777 3.182 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.450 0.159 4.345 1.00 1.00 C ATOM 1123 C LYS A 71 -11.580 1.030 4.884 1.00 1.00 C ATOM 1124 O LYS A 71 -12.490 0.544 5.559 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.406 -0.036 5.451 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.000 -0.888 6.585 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.164 -0.743 7.852 1.00 1.00 C ATOM 1128 CE LYS A 71 -7.712 -1.070 7.539 1.00 1.00 C ATOM 1129 NZ LYS A 71 -6.962 -1.249 8.813 1.00 1.00 N ATOM 0 H LYS A 71 -8.906 1.138 3.341 1.00 1.00 H new ATOM 0 HA LYS A 71 -10.847 -0.810 4.042 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.519 -0.522 5.045 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.089 0.932 5.839 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.027 -0.579 6.782 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.035 -1.935 6.282 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.244 0.273 8.240 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.540 -1.411 8.627 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -7.653 -1.978 6.938 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.266 -0.269 6.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.968 -1.473 8.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.009 -0.372 9.370 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.384 -2.028 9.358 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.510 2.329 4.631 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.520 3.248 5.154 1.00 1.00 C ATOM 1145 C ASP A 72 -13.910 2.990 4.589 1.00 1.00 C ATOM 1146 O ASP A 72 -14.870 2.785 5.336 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.110 4.675 4.771 1.00 1.00 C ATOM 1148 CG ASP A 72 -12.900 5.684 5.604 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.270 5.345 6.715 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.120 6.781 5.120 1.00 1.00 O ATOM 0 H ASP A 72 -10.777 2.769 4.075 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.570 3.102 6.233 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.041 4.812 4.935 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.294 4.843 3.710 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.000 2.999 3.270 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.290 2.765 2.636 1.00 1.00 C ATOM 1157 C TYR A 73 -15.620 1.284 2.626 1.00 1.00 C ATOM 1158 O TYR A 73 -16.780 0.916 2.658 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.350 3.349 1.224 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.600 2.485 0.258 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.200 1.315 -0.219 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.330 2.849 -0.170 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.520 0.506 -1.117 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.650 2.035 -1.066 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.240 0.865 -1.536 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.550 0.056 -2.395 1.00 1.00 O ATOM 0 H TYR A 73 -13.221 3.161 2.631 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.043 3.284 3.228 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.389 3.439 0.907 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -14.928 4.354 1.223 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.191 1.042 0.112 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.874 3.759 0.192 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -14.980 -0.397 -1.490 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.660 2.310 -1.399 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.020 -0.799 -2.488 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.590 0.444 2.566 1.00 1.00 N ATOM 1177 CA LEU A 74 -14.810 -1.000 2.540 1.00 1.00 C ATOM 1178 C LEU A 74 -15.520 -1.446 3.809 1.00 1.00 C ATOM 1179 O LEU A 74 -16.520 -2.162 3.758 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.450 -1.716 2.458 1.00 1.00 C ATOM 1181 CG LEU A 74 -12.960 -1.786 1.008 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.440 -2.112 0.964 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -13.780 -2.853 0.227 1.00 1.00 C ATOM 0 H LEU A 74 -13.612 0.731 2.535 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.424 -1.249 1.675 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -12.718 -1.188 3.069 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.539 -2.723 2.866 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.109 -0.816 0.533 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.108 -2.158 -0.073 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -10.886 -1.334 1.488 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.260 -3.073 1.446 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.428 -2.899 -0.804 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -13.652 -3.827 0.699 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -14.835 -2.581 0.238 1.00 1.00 H new ATOM 1273 N PRO B 171 6.744 2.567 -7.706 1.00 1.00 N ATOM 1274 CA PRO B 171 5.507 2.669 -8.544 1.00 1.00 C ATOM 1275 C PRO B 171 4.549 3.738 -8.022 1.00 1.00 C ATOM 1276 O PRO B 171 4.631 4.147 -6.863 1.00 1.00 O ATOM 1277 CB PRO B 171 4.876 1.267 -8.455 1.00 1.00 C ATOM 1278 CG PRO B 171 5.451 0.667 -7.218 1.00 1.00 C ATOM 1279 CD PRO B 171 6.856 1.228 -7.099 1.00 1.00 C ATOM 0 HA PRO B 171 5.732 2.966 -9.568 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.789 1.326 -8.398 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.117 0.669 -9.334 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.852 0.924 -6.344 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.469 -0.421 -7.283 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.179 1.284 -6.060 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.582 0.608 -7.625 1.00 1.00 H new ATOM 1287 N GLU B 172 3.629 4.173 -8.881 1.00 1.00 N ATOM 1288 CA GLU B 172 2.643 5.182 -8.498 1.00 1.00 C ATOM 1289 C GLU B 172 1.284 4.534 -8.298 1.00 1.00 C ATOM 1290 O GLU B 172 0.734 3.917 -9.211 1.00 1.00 O ATOM 1291 CB GLU B 172 2.546 6.260 -9.576 1.00 1.00 C ATOM 1292 CG GLU B 172 1.574 7.351 -9.119 1.00 1.00 C ATOM 1293 CD GLU B 172 1.542 8.479 -10.140 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.440 8.530 -10.960 1.00 1.00 O ATOM 1295 OE2 GLU B 172 0.619 9.275 -10.080 1.00 1.00 O ATOM 0 H GLU B 172 3.546 3.844 -9.843 1.00 1.00 H new ATOM 0 HA GLU B 172 2.961 5.642 -7.562 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.530 6.690 -9.765 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.204 5.822 -10.514 1.00 1.00 H new ATOM 0 HG2 GLU B 172 0.575 6.932 -8.996 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.879 7.738 -8.147 1.00 1.00 H new ATOM 1302 N VAL B 173 0.750 4.673 -7.095 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.540 4.085 -6.777 1.00 1.00 C ATOM 1304 C VAL B 173 -1.596 4.487 -7.824 1.00 1.00 C ATOM 1305 O VAL B 173 -1.696 5.659 -8.188 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.003 4.522 -5.360 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.705 3.418 -4.335 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.253 5.789 -4.952 1.00 1.00 C ATOM 0 H VAL B 173 1.187 5.184 -6.328 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.430 3.001 -6.793 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.077 4.709 -5.384 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.035 3.740 -3.347 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.235 2.508 -4.616 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.367 3.222 -4.313 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.576 6.099 -3.958 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.819 5.590 -4.940 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -0.466 6.584 -5.667 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.387 3.545 -8.291 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.456 3.828 -9.293 1.00 1.00 C ATOM 1320 C PRO B 174 -4.636 4.573 -8.677 1.00 1.00 C ATOM 1321 O PRO B 174 -4.812 4.582 -7.457 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.861 2.436 -9.784 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.589 1.527 -8.636 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.375 2.116 -7.924 1.00 1.00 C ATOM 0 HA PRO B 174 -3.113 4.479 -10.097 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.913 2.409 -10.068 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.286 2.145 -10.663 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.448 1.473 -7.967 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.388 0.512 -8.979 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.445 1.983 -6.844 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.453 1.632 -8.245 1.00 1.00 H new