USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 hydrogens (2 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 49 THR OG1 : rot 89:sc= 1.28 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.09 K(o=2.4,f=-3.3!) USER MOD Single : A 1 LYS N :NH3+ -154:sc= 0.97 (180deg=0.514) USER MOD Single : A 1 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.11) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00214 X(o=-0.0021,f=0) USER MOD Single : A 10 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 130:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 1.03 K(o=1,f=-1.4) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 53:sc= 0.0313 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.931 X(o=-0.93,f=-0.9) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.5) USER MOD Single : A 62 ASN : amide:sc= -0.0115 X(o=-0.012,f=-0.026) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0.851 (180deg=0.263) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.376 31.650 31.025 1.00 0.00 N ATOM 2 CA LYS A 1 13.598 31.979 31.791 1.00 0.00 C ATOM 3 C LYS A 1 14.621 32.602 30.840 1.00 0.00 C ATOM 4 O LYS A 1 14.600 32.307 29.645 1.00 0.00 O ATOM 5 CB LYS A 1 14.138 30.721 32.505 1.00 0.00 C ATOM 6 CG LYS A 1 15.070 31.005 33.693 1.00 0.00 C ATOM 7 CD LYS A 1 15.565 29.693 34.315 1.00 0.00 C ATOM 8 CE LYS A 1 16.370 29.957 35.589 1.00 0.00 C ATOM 9 NZ LYS A 1 16.703 28.692 36.276 1.00 0.00 N1+ ATOM 0 H1 LYS A 1 11.555 31.651 31.664 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.234 32.359 30.277 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.479 30.709 30.595 1.00 0.00 H new ATOM 0 HA LYS A 1 13.376 32.706 32.572 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.293 30.129 32.857 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.674 30.110 31.779 1.00 0.00 H new ATOM 0 HG2 LYS A 1 15.921 31.600 33.361 1.00 0.00 H new ATOM 0 HG3 LYS A 1 14.543 31.594 34.444 1.00 0.00 H new ATOM 0 HD2 LYS A 1 14.714 29.052 34.545 1.00 0.00 H new ATOM 0 HD3 LYS A 1 16.183 29.156 33.595 1.00 0.00 H new ATOM 0 HE2 LYS A 1 17.286 30.492 35.340 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.798 30.599 36.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.870 28.879 37.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 15.913 28.023 36.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 17.561 28.283 35.853 1.00 0.00 H new ATOM 25 N GLU A 2 15.539 33.424 31.340 1.00 0.00 N ATOM 26 CA GLU A 2 16.652 34.011 30.570 1.00 0.00 C ATOM 27 C GLU A 2 18.007 33.820 31.277 1.00 0.00 C ATOM 28 O GLU A 2 18.058 33.504 32.470 1.00 0.00 O ATOM 29 CB GLU A 2 16.409 35.507 30.307 1.00 0.00 C ATOM 30 CG GLU A 2 15.112 35.828 29.547 1.00 0.00 C ATOM 31 CD GLU A 2 15.054 37.280 29.045 1.00 0.00 C ATOM 32 OE1 GLU A 2 14.108 37.623 28.297 1.00 0.00 O ATOM 33 OE2 GLU A 2 15.933 38.106 29.390 1.00 0.00 O1- ATOM 0 H GLU A 2 15.537 33.714 32.318 1.00 0.00 H new ATOM 0 HA GLU A 2 16.690 33.481 29.618 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.392 36.031 31.263 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.252 35.903 29.741 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.018 35.152 28.697 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.259 35.641 30.199 1.00 0.00 H new ATOM 40 N GLY A 3 19.114 34.002 30.549 1.00 0.00 N ATOM 41 CA GLY A 3 20.464 33.914 31.110 1.00 0.00 C ATOM 42 C GLY A 3 21.584 34.365 30.163 1.00 0.00 C ATOM 43 O GLY A 3 21.577 34.056 28.973 1.00 0.00 O ATOM 0 H GLY A 3 19.098 34.215 29.552 1.00 0.00 H new ATOM 0 HA2 GLY A 3 20.507 34.520 32.015 1.00 0.00 H new ATOM 0 HA3 GLY A 3 20.652 32.882 31.408 1.00 0.00 H new ATOM 47 N TYR A 4 22.576 35.070 30.707 1.00 0.00 N ATOM 48 CA TYR A 4 23.808 35.479 30.017 1.00 0.00 C ATOM 49 C TYR A 4 24.609 34.275 29.470 1.00 0.00 C ATOM 50 O TYR A 4 24.745 33.245 30.137 1.00 0.00 O ATOM 51 CB TYR A 4 24.601 36.350 31.011 1.00 0.00 C ATOM 52 CG TYR A 4 26.096 36.502 30.807 1.00 0.00 C ATOM 53 CD1 TYR A 4 26.976 36.000 31.787 1.00 0.00 C ATOM 54 CD2 TYR A 4 26.599 37.247 29.723 1.00 0.00 C ATOM 55 CE1 TYR A 4 28.353 36.268 31.707 1.00 0.00 C ATOM 56 CE2 TYR A 4 27.980 37.510 29.639 1.00 0.00 C ATOM 57 CZ TYR A 4 28.858 37.028 30.633 1.00 0.00 C ATOM 58 OH TYR A 4 30.165 37.383 30.614 1.00 0.00 O ATOM 0 H TYR A 4 22.546 35.386 31.676 1.00 0.00 H new ATOM 0 HA TYR A 4 23.579 36.058 29.122 1.00 0.00 H new ATOM 0 HB2 TYR A 4 24.162 37.348 31.001 1.00 0.00 H new ATOM 0 HB3 TYR A 4 24.442 35.942 32.009 1.00 0.00 H new ATOM 0 HD1 TYR A 4 26.590 35.407 32.603 1.00 0.00 H new ATOM 0 HD2 TYR A 4 25.929 37.615 28.960 1.00 0.00 H new ATOM 0 HE1 TYR A 4 29.023 35.893 32.467 1.00 0.00 H new ATOM 0 HE2 TYR A 4 28.369 38.083 28.810 1.00 0.00 H new ATOM 0 HH TYR A 4 30.695 36.703 31.080 1.00 0.00 H new ATOM 68 N LEU A 5 25.145 34.383 28.246 1.00 0.00 N ATOM 69 CA LEU A 5 25.997 33.335 27.674 1.00 0.00 C ATOM 70 C LEU A 5 27.428 33.417 28.230 1.00 0.00 C ATOM 71 O LEU A 5 28.116 34.418 28.026 1.00 0.00 O ATOM 72 CB LEU A 5 25.958 33.372 26.135 1.00 0.00 C ATOM 73 CG LEU A 5 26.865 32.315 25.475 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.528 30.878 25.878 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.740 32.383 23.956 1.00 0.00 C ATOM 0 H LEU A 5 25.002 35.187 27.634 1.00 0.00 H new ATOM 0 HA LEU A 5 25.600 32.366 27.977 1.00 0.00 H new ATOM 0 HB2 LEU A 5 24.932 33.219 25.801 1.00 0.00 H new ATOM 0 HB3 LEU A 5 26.260 34.363 25.795 1.00 0.00 H new ATOM 0 HG LEU A 5 27.872 32.551 25.819 1.00 0.00 H new ATOM 0 HD11 LEU A 5 27.207 30.190 25.375 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.634 30.768 26.957 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.502 30.650 25.590 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.386 31.631 23.504 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.706 32.194 23.667 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.038 33.373 23.610 1.00 0.00 H new ATOM 87 N VAL A 6 27.881 32.337 28.869 1.00 0.00 N ATOM 88 CA VAL A 6 29.223 32.187 29.454 1.00 0.00 C ATOM 89 C VAL A 6 29.714 30.741 29.312 1.00 0.00 C ATOM 90 O VAL A 6 28.909 29.804 29.319 1.00 0.00 O ATOM 91 CB VAL A 6 29.214 32.675 30.920 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.376 31.790 31.856 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.624 32.791 31.506 1.00 0.00 C ATOM 0 H VAL A 6 27.303 31.507 29.001 1.00 0.00 H new ATOM 0 HA VAL A 6 29.932 32.810 28.910 1.00 0.00 H new ATOM 0 HB VAL A 6 28.753 33.661 30.868 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.415 32.192 32.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.342 31.773 31.512 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.776 30.776 31.853 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.562 33.138 32.538 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.110 31.816 31.479 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.205 33.502 30.919 1.00 0.00 H new ATOM 103 N ASP A 7 31.026 30.537 29.160 1.00 0.00 N ATOM 104 CA ASP A 7 31.613 29.190 29.111 1.00 0.00 C ATOM 105 C ASP A 7 31.817 28.561 30.501 1.00 0.00 C ATOM 106 O ASP A 7 32.265 29.220 31.443 1.00 0.00 O ATOM 107 CB ASP A 7 32.953 29.194 28.369 1.00 0.00 C ATOM 108 CG ASP A 7 33.428 27.767 28.078 1.00 0.00 C ATOM 109 OD1 ASP A 7 34.599 27.438 28.390 1.00 0.00 O ATOM 110 OD2 ASP A 7 32.605 26.967 27.579 1.00 0.00 O1- ATOM 0 H ASP A 7 31.707 31.291 29.068 1.00 0.00 H new ATOM 0 HA ASP A 7 30.887 28.581 28.572 1.00 0.00 H new ATOM 0 HB2 ASP A 7 32.852 29.745 27.434 1.00 0.00 H new ATOM 0 HB3 ASP A 7 33.701 29.715 28.967 1.00 0.00 H new ATOM 115 N TYR A 8 31.583 27.251 30.603 1.00 0.00 N ATOM 116 CA TYR A 8 31.647 26.495 31.863 1.00 0.00 C ATOM 117 C TYR A 8 33.070 26.301 32.429 1.00 0.00 C ATOM 118 O TYR A 8 33.201 25.843 33.566 1.00 0.00 O ATOM 119 CB TYR A 8 30.951 25.136 31.670 1.00 0.00 C ATOM 120 CG TYR A 8 31.769 24.109 30.902 1.00 0.00 C ATOM 121 CD1 TYR A 8 32.610 23.216 31.594 1.00 0.00 C ATOM 122 CD2 TYR A 8 31.713 24.059 29.498 1.00 0.00 C ATOM 123 CE1 TYR A 8 33.401 22.292 30.887 1.00 0.00 C ATOM 124 CE2 TYR A 8 32.508 23.140 28.787 1.00 0.00 C ATOM 125 CZ TYR A 8 33.361 22.256 29.478 1.00 0.00 C ATOM 126 OH TYR A 8 34.137 21.373 28.793 1.00 0.00 O ATOM 0 H TYR A 8 31.339 26.672 29.799 1.00 0.00 H new ATOM 0 HA TYR A 8 31.129 27.096 32.611 1.00 0.00 H new ATOM 0 HB2 TYR A 8 30.705 24.726 32.650 1.00 0.00 H new ATOM 0 HB3 TYR A 8 30.009 25.296 31.146 1.00 0.00 H new ATOM 0 HD1 TYR A 8 32.648 23.241 32.673 1.00 0.00 H new ATOM 0 HD2 TYR A 8 31.057 24.729 28.962 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.041 21.608 31.425 1.00 0.00 H new ATOM 0 HE2 TYR A 8 32.464 23.112 27.708 1.00 0.00 H new ATOM 0 HH TYR A 8 33.985 21.482 27.831 1.00 0.00 H new ATOM 136 N HIS A 9 34.125 26.627 31.663 1.00 0.00 N ATOM 137 CA HIS A 9 35.527 26.374 32.032 1.00 0.00 C ATOM 138 C HIS A 9 36.409 27.590 31.733 1.00 0.00 C ATOM 139 O HIS A 9 37.321 27.893 32.494 1.00 0.00 O ATOM 140 CB HIS A 9 36.007 25.121 31.279 1.00 0.00 C ATOM 141 CG HIS A 9 37.450 24.748 31.525 1.00 0.00 C ATOM 142 ND1 HIS A 9 37.933 23.983 32.593 1.00 0.00 N ATOM 143 CD2 HIS A 9 38.501 25.123 30.741 1.00 0.00 C ATOM 144 CE1 HIS A 9 39.263 23.917 32.418 1.00 0.00 C ATOM 145 NE2 HIS A 9 39.629 24.593 31.320 1.00 0.00 N ATOM 0 H HIS A 9 34.025 27.081 30.755 1.00 0.00 H new ATOM 0 HA HIS A 9 35.601 26.200 33.105 1.00 0.00 H new ATOM 0 HB2 HIS A 9 35.375 24.279 31.563 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.865 25.280 30.210 1.00 0.00 H new ATOM 0 HD2 HIS A 9 38.456 25.719 29.842 1.00 0.00 H new ATOM 0 HE1 HIS A 9 39.944 23.392 33.072 1.00 0.00 H new ATOM 0 HE2 HIS A 9 40.583 24.696 30.973 1.00 0.00 H new ATOM 153 N THR A 10 36.117 28.319 30.651 1.00 0.00 N ATOM 154 CA THR A 10 36.776 29.582 30.306 1.00 0.00 C ATOM 155 C THR A 10 36.199 30.790 31.067 1.00 0.00 C ATOM 156 O THR A 10 36.890 31.794 31.228 1.00 0.00 O ATOM 157 CB THR A 10 36.675 29.814 28.789 1.00 0.00 C ATOM 158 OG1 THR A 10 36.962 28.645 28.049 1.00 0.00 O ATOM 159 CG2 THR A 10 37.659 30.852 28.313 1.00 0.00 C ATOM 0 H THR A 10 35.402 28.042 29.978 1.00 0.00 H new ATOM 0 HA THR A 10 37.820 29.496 30.607 1.00 0.00 H new ATOM 0 HB THR A 10 35.647 30.137 28.625 1.00 0.00 H new ATOM 0 HG1 THR A 10 36.158 28.088 27.992 1.00 0.00 H new ATOM 0 HG21 THR A 10 37.555 30.986 27.236 1.00 0.00 H new ATOM 0 HG22 THR A 10 37.462 31.798 28.817 1.00 0.00 H new ATOM 0 HG23 THR A 10 38.673 30.524 28.541 1.00 0.00 H new ATOM 167 N GLY A 11 34.941 30.733 31.534 1.00 0.00 N ATOM 168 CA GLY A 11 34.307 31.789 32.335 1.00 0.00 C ATOM 169 C GLY A 11 34.063 33.125 31.618 1.00 0.00 C ATOM 170 O GLY A 11 33.760 34.113 32.284 1.00 0.00 O ATOM 0 H GLY A 11 34.327 29.937 31.362 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.350 31.415 32.700 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.930 31.977 33.209 1.00 0.00 H new ATOM 174 N CYS A 12 34.211 33.186 30.289 1.00 0.00 N ATOM 175 CA CYS A 12 34.218 34.437 29.524 1.00 0.00 C ATOM 176 C CYS A 12 32.921 34.698 28.724 1.00 0.00 C ATOM 177 O CYS A 12 32.220 33.756 28.341 1.00 0.00 O ATOM 178 CB CYS A 12 35.464 34.451 28.627 1.00 0.00 C ATOM 179 SG CYS A 12 36.157 36.105 28.374 1.00 0.00 S ATOM 0 H CYS A 12 34.331 32.356 29.708 1.00 0.00 H new ATOM 0 HA CYS A 12 34.257 35.263 30.234 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.227 33.810 29.069 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.209 34.021 27.658 1.00 0.00 H new ATOM 184 N LYS A 13 32.628 35.981 28.453 1.00 0.00 N ATOM 185 CA LYS A 13 31.538 36.487 27.589 1.00 0.00 C ATOM 186 C LYS A 13 31.635 36.029 26.124 1.00 0.00 C ATOM 187 O LYS A 13 32.717 35.683 25.657 1.00 0.00 O ATOM 188 CB LYS A 13 31.470 38.029 27.705 1.00 0.00 C ATOM 189 CG LYS A 13 32.409 38.831 26.787 1.00 0.00 C ATOM 190 CD LYS A 13 33.906 38.542 26.963 1.00 0.00 C ATOM 191 CE LYS A 13 34.708 39.099 25.789 1.00 0.00 C ATOM 192 NZ LYS A 13 34.965 40.555 25.896 1.00 0.00 N1+ ATOM 0 H LYS A 13 33.177 36.742 28.854 1.00 0.00 H new ATOM 0 HA LYS A 13 30.608 36.048 27.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.446 38.341 27.501 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.687 38.303 28.737 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.137 38.629 25.751 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.239 39.894 26.960 1.00 0.00 H new ATOM 0 HD2 LYS A 13 34.260 38.986 27.894 1.00 0.00 H new ATOM 0 HD3 LYS A 13 34.067 37.467 27.041 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.660 38.572 25.725 1.00 0.00 H new ATOM 0 HE3 LYS A 13 34.170 38.899 24.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.513 40.872 25.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.060 41.066 25.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.503 40.750 26.764 1.00 0.00 H new ATOM 206 N TYR A 14 30.536 36.110 25.372 1.00 0.00 N ATOM 207 CA TYR A 14 30.472 35.807 23.931 1.00 0.00 C ATOM 208 C TYR A 14 29.895 37.008 23.158 1.00 0.00 C ATOM 209 O TYR A 14 28.688 37.255 23.174 1.00 0.00 O ATOM 210 CB TYR A 14 29.646 34.529 23.717 1.00 0.00 C ATOM 211 CG TYR A 14 30.415 33.246 23.985 1.00 0.00 C ATOM 212 CD1 TYR A 14 30.946 32.512 22.905 1.00 0.00 C ATOM 213 CD2 TYR A 14 30.647 32.809 25.304 1.00 0.00 C ATOM 214 CE1 TYR A 14 31.743 31.376 23.139 1.00 0.00 C ATOM 215 CE2 TYR A 14 31.434 31.667 25.541 1.00 0.00 C ATOM 216 CZ TYR A 14 32.002 30.958 24.461 1.00 0.00 C ATOM 217 OH TYR A 14 32.786 29.871 24.698 1.00 0.00 O ATOM 0 H TYR A 14 29.635 36.397 25.756 1.00 0.00 H new ATOM 0 HA TYR A 14 31.475 35.630 23.542 1.00 0.00 H new ATOM 0 HB2 TYR A 14 28.772 34.560 24.368 1.00 0.00 H new ATOM 0 HB3 TYR A 14 29.279 34.513 22.691 1.00 0.00 H new ATOM 0 HD1 TYR A 14 30.740 32.823 21.892 1.00 0.00 H new ATOM 0 HD2 TYR A 14 30.220 33.351 26.135 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.156 30.825 22.307 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.604 31.332 26.553 1.00 0.00 H new ATOM 0 HH TYR A 14 33.473 30.101 25.358 1.00 0.00 H new ATOM 227 N THR A 15 30.760 37.790 22.507 1.00 0.00 N ATOM 228 CA THR A 15 30.387 39.062 21.851 1.00 0.00 C ATOM 229 C THR A 15 29.770 38.872 20.459 1.00 0.00 C ATOM 230 O THR A 15 30.118 37.934 19.737 1.00 0.00 O ATOM 231 CB THR A 15 31.574 40.030 21.766 1.00 0.00 C ATOM 232 OG1 THR A 15 32.577 39.537 20.907 1.00 0.00 O ATOM 233 CG2 THR A 15 32.208 40.311 23.124 1.00 0.00 C ATOM 0 H THR A 15 31.750 37.563 22.415 1.00 0.00 H new ATOM 0 HA THR A 15 29.619 39.497 22.490 1.00 0.00 H new ATOM 0 HB THR A 15 31.161 40.959 21.373 1.00 0.00 H new ATOM 0 HG1 THR A 15 33.320 40.175 20.871 1.00 0.00 H new ATOM 0 HG21 THR A 15 33.042 41.002 23.000 1.00 0.00 H new ATOM 0 HG22 THR A 15 31.465 40.754 23.788 1.00 0.00 H new ATOM 0 HG23 THR A 15 32.571 39.378 23.556 1.00 0.00 H new ATOM 241 N CYS A 16 28.865 39.774 20.067 1.00 0.00 N ATOM 242 CA CYS A 16 28.108 39.722 18.814 1.00 0.00 C ATOM 243 C CYS A 16 27.599 41.112 18.366 1.00 0.00 C ATOM 244 O CYS A 16 27.804 42.115 19.057 1.00 0.00 O ATOM 245 CB CYS A 16 26.988 38.678 18.975 1.00 0.00 C ATOM 246 SG CYS A 16 25.916 38.757 20.440 1.00 0.00 S ATOM 0 H CYS A 16 28.632 40.589 20.634 1.00 0.00 H new ATOM 0 HA CYS A 16 28.763 39.411 18.000 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.348 38.743 18.095 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.452 37.692 18.959 1.00 0.00 H new ATOM 251 N ALA A 17 27.006 41.181 17.169 1.00 0.00 N ATOM 252 CA ALA A 17 26.426 42.395 16.580 1.00 0.00 C ATOM 253 C ALA A 17 25.218 42.931 17.381 1.00 0.00 C ATOM 254 O ALA A 17 24.605 42.188 18.139 1.00 0.00 O ATOM 255 CB ALA A 17 26.050 42.065 15.132 1.00 0.00 C ATOM 0 H ALA A 17 26.913 40.366 16.562 1.00 0.00 H new ATOM 0 HA ALA A 17 27.159 43.201 16.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.614 42.945 14.660 1.00 0.00 H new ATOM 0 HB2 ALA A 17 26.943 41.763 14.584 1.00 0.00 H new ATOM 0 HB3 ALA A 17 25.325 41.251 15.121 1.00 0.00 H new ATOM 261 N LYS A 18 24.858 44.212 17.218 1.00 0.00 N ATOM 262 CA LYS A 18 23.886 44.917 18.081 1.00 0.00 C ATOM 263 C LYS A 18 22.517 44.224 18.236 1.00 0.00 C ATOM 264 O LYS A 18 21.795 44.010 17.255 1.00 0.00 O ATOM 265 CB LYS A 18 23.766 46.395 17.650 1.00 0.00 C ATOM 266 CG LYS A 18 23.077 46.653 16.296 1.00 0.00 C ATOM 267 CD LYS A 18 23.246 48.115 15.856 1.00 0.00 C ATOM 268 CE LYS A 18 22.462 48.379 14.568 1.00 0.00 C ATOM 269 NZ LYS A 18 22.558 49.787 14.122 1.00 0.00 N1+ ATOM 0 H LYS A 18 25.236 44.800 16.475 1.00 0.00 H new ATOM 0 HA LYS A 18 24.294 44.876 19.091 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.217 46.934 18.422 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.767 46.824 17.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.498 45.992 15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 18 22.016 46.414 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 18 22.897 48.781 16.645 1.00 0.00 H new ATOM 0 HD3 LYS A 18 24.302 48.334 15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.835 47.726 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.414 48.122 14.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 22.010 49.912 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.177 50.412 14.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 23.554 50.028 13.944 1.00 0.00 H new ATOM 283 N LEU A 19 22.128 43.950 19.487 1.00 0.00 N ATOM 284 CA LEU A 19 20.796 43.479 19.906 1.00 0.00 C ATOM 285 C LEU A 19 20.223 42.337 19.043 1.00 0.00 C ATOM 286 O LEU A 19 20.658 41.189 19.099 1.00 0.00 O ATOM 287 CB LEU A 19 19.854 44.695 20.104 1.00 0.00 C ATOM 288 CG LEU A 19 20.255 45.637 21.255 1.00 0.00 C ATOM 289 CD1 LEU A 19 19.410 46.908 21.193 1.00 0.00 C ATOM 290 CD2 LEU A 19 20.025 44.982 22.619 1.00 0.00 C ATOM 0 H LEU A 19 22.764 44.055 20.277 1.00 0.00 H new ATOM 0 HA LEU A 19 20.898 42.988 20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.823 45.268 19.177 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.844 44.329 20.287 1.00 0.00 H new ATOM 0 HG LEU A 19 21.315 45.865 21.141 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.694 47.574 22.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 19.576 47.409 20.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.355 46.649 21.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 20.318 45.674 23.409 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.970 44.732 22.729 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.623 44.074 22.692 1.00 0.00 H new ATOM 302 N GLY A 20 19.196 42.675 18.285 1.00 0.00 N ATOM 303 CA GLY A 20 18.418 41.818 17.387 1.00 0.00 C ATOM 304 C GLY A 20 19.163 41.262 16.165 1.00 0.00 C ATOM 305 O GLY A 20 18.606 40.409 15.477 1.00 0.00 O ATOM 0 H GLY A 20 18.850 43.634 18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 18.032 40.978 17.964 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.556 42.385 17.034 1.00 0.00 H new ATOM 309 N ASP A 21 20.414 41.659 15.899 1.00 0.00 N ATOM 310 CA ASP A 21 21.297 41.033 14.890 1.00 0.00 C ATOM 311 C ASP A 21 21.913 39.718 15.436 1.00 0.00 C ATOM 312 O ASP A 21 23.090 39.403 15.245 1.00 0.00 O ATOM 313 CB ASP A 21 22.347 42.040 14.363 1.00 0.00 C ATOM 314 CG ASP A 21 21.771 43.246 13.604 1.00 0.00 C ATOM 315 OD1 ASP A 21 20.537 43.470 13.583 1.00 0.00 O ATOM 316 OD2 ASP A 21 22.538 44.013 12.978 1.00 0.00 O1- ATOM 0 H ASP A 21 20.855 42.439 16.386 1.00 0.00 H new ATOM 0 HA ASP A 21 20.699 40.750 14.024 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.931 42.407 15.207 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.036 41.511 13.704 1.00 0.00 H new ATOM 321 N ASN A 22 21.084 38.940 16.134 1.00 0.00 N ATOM 322 CA ASN A 22 21.374 37.774 16.975 1.00 0.00 C ATOM 323 C ASN A 22 21.774 36.467 16.255 1.00 0.00 C ATOM 324 O ASN A 22 21.783 35.402 16.876 1.00 0.00 O ATOM 325 CB ASN A 22 20.146 37.567 17.887 1.00 0.00 C ATOM 326 CG ASN A 22 18.847 37.216 17.167 1.00 0.00 C ATOM 327 OD1 ASN A 22 18.697 37.311 15.955 1.00 0.00 O ATOM 328 ND2 ASN A 22 17.834 36.834 17.901 1.00 0.00 N ATOM 0 H ASN A 22 20.082 39.132 16.123 1.00 0.00 H new ATOM 0 HA ASN A 22 22.283 38.003 17.531 1.00 0.00 H new ATOM 0 HB2 ASN A 22 20.373 36.773 18.599 1.00 0.00 H new ATOM 0 HB3 ASN A 22 19.987 38.477 18.465 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.938 36.621 17.462 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.940 36.749 18.912 1.00 0.00 H new ATOM 335 N ASP A 23 22.108 36.526 14.965 1.00 0.00 N ATOM 336 CA ASP A 23 22.317 35.350 14.110 1.00 0.00 C ATOM 337 C ASP A 23 23.419 34.377 14.584 1.00 0.00 C ATOM 338 O ASP A 23 23.259 33.159 14.439 1.00 0.00 O ATOM 339 CB ASP A 23 22.581 35.821 12.670 1.00 0.00 C ATOM 340 CG ASP A 23 21.359 36.478 12.019 1.00 0.00 C ATOM 341 OD1 ASP A 23 21.523 37.365 11.147 1.00 0.00 O ATOM 342 OD2 ASP A 23 20.208 36.087 12.331 1.00 0.00 O1- ATOM 0 H ASP A 23 22.244 37.409 14.473 1.00 0.00 H new ATOM 0 HA ASP A 23 21.401 34.762 14.168 1.00 0.00 H new ATOM 0 HB2 ASP A 23 23.409 36.530 12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.892 34.968 12.066 1.00 0.00 H new ATOM 347 N TYR A 24 24.499 34.886 15.188 1.00 0.00 N ATOM 348 CA TYR A 24 25.546 34.082 15.836 1.00 0.00 C ATOM 349 C TYR A 24 25.142 33.640 17.255 1.00 0.00 C ATOM 350 O TYR A 24 25.402 32.503 17.651 1.00 0.00 O ATOM 351 CB TYR A 24 26.854 34.896 15.857 1.00 0.00 C ATOM 352 CG TYR A 24 27.980 34.276 16.664 1.00 0.00 C ATOM 353 CD1 TYR A 24 28.817 33.309 16.080 1.00 0.00 C ATOM 354 CD2 TYR A 24 28.182 34.654 18.007 1.00 0.00 C ATOM 355 CE1 TYR A 24 29.836 32.701 16.837 1.00 0.00 C ATOM 356 CE2 TYR A 24 29.199 34.048 18.769 1.00 0.00 C ATOM 357 CZ TYR A 24 30.020 33.057 18.189 1.00 0.00 C ATOM 358 OH TYR A 24 30.982 32.452 18.932 1.00 0.00 O ATOM 0 H TYR A 24 24.675 35.889 15.242 1.00 0.00 H new ATOM 0 HA TYR A 24 25.692 33.167 15.262 1.00 0.00 H new ATOM 0 HB2 TYR A 24 27.195 35.034 14.831 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.642 35.887 16.259 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.677 33.031 15.046 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.554 35.411 18.453 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.478 31.961 16.382 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.351 34.341 19.797 1.00 0.00 H new ATOM 0 HH TYR A 24 30.972 32.818 19.841 1.00 0.00 H new ATOM 368 N CYS A 25 24.479 34.519 18.014 1.00 0.00 N ATOM 369 CA CYS A 25 24.080 34.272 19.404 1.00 0.00 C ATOM 370 C CYS A 25 23.075 33.113 19.546 1.00 0.00 C ATOM 371 O CYS A 25 23.297 32.204 20.348 1.00 0.00 O ATOM 372 CB CYS A 25 23.547 35.588 19.988 1.00 0.00 C ATOM 373 SG CYS A 25 22.815 35.514 21.647 1.00 0.00 S ATOM 0 H CYS A 25 24.199 35.439 17.673 1.00 0.00 H new ATOM 0 HA CYS A 25 24.951 33.945 19.972 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.367 36.306 20.011 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.797 35.983 19.304 1.00 0.00 H new ATOM 378 N VAL A 26 22.017 33.074 18.726 1.00 0.00 N ATOM 379 CA VAL A 26 21.007 31.993 18.770 1.00 0.00 C ATOM 380 C VAL A 26 21.640 30.617 18.503 1.00 0.00 C ATOM 381 O VAL A 26 21.308 29.642 19.181 1.00 0.00 O ATOM 382 CB VAL A 26 19.850 32.287 17.790 1.00 0.00 C ATOM 383 CG1 VAL A 26 18.825 31.147 17.716 1.00 0.00 C ATOM 384 CG2 VAL A 26 19.086 33.549 18.211 1.00 0.00 C ATOM 0 H VAL A 26 21.832 33.782 18.016 1.00 0.00 H new ATOM 0 HA VAL A 26 20.592 31.962 19.778 1.00 0.00 H new ATOM 0 HB VAL A 26 20.322 32.412 16.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 18.036 31.412 17.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.319 30.235 17.382 1.00 0.00 H new ATOM 0 HG13 VAL A 26 18.391 30.984 18.702 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.276 33.736 17.506 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.673 33.408 19.210 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.766 34.401 18.217 1.00 0.00 H new ATOM 394 N ARG A 27 22.618 30.552 17.587 1.00 0.00 N ATOM 395 CA ARG A 27 23.398 29.344 17.270 1.00 0.00 C ATOM 396 C ARG A 27 24.296 28.860 18.410 1.00 0.00 C ATOM 397 O ARG A 27 24.610 27.675 18.465 1.00 0.00 O ATOM 398 CB ARG A 27 24.236 29.598 16.012 1.00 0.00 C ATOM 399 CG ARG A 27 23.393 29.494 14.739 1.00 0.00 C ATOM 400 CD ARG A 27 24.275 29.608 13.493 1.00 0.00 C ATOM 401 NE ARG A 27 23.470 29.508 12.265 1.00 0.00 N ATOM 402 CZ ARG A 27 22.850 30.489 11.639 1.00 0.00 C ATOM 403 NH1 ARG A 27 22.900 31.731 12.018 1.00 0.00 N1+ ATOM 404 NH2 ARG A 27 22.138 30.223 10.591 1.00 0.00 N ATOM 0 H ARG A 27 22.897 31.360 17.030 1.00 0.00 H new ATOM 0 HA ARG A 27 22.677 28.544 17.103 1.00 0.00 H new ATOM 0 HB2 ARG A 27 24.687 30.588 16.069 1.00 0.00 H new ATOM 0 HB3 ARG A 27 25.053 28.878 15.967 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.860 28.543 14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 27 22.640 30.282 14.731 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.808 30.559 13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.028 28.820 13.503 1.00 0.00 H new ATOM 0 HE ARG A 27 23.382 28.579 11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.441 31.991 12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.398 32.446 11.491 1.00 0.00 H new ATOM 0 HH21 ARG A 27 22.061 29.262 10.257 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.654 30.974 10.099 1.00 0.00 H new ATOM 418 N GLU A 28 24.731 29.729 19.319 1.00 0.00 N ATOM 419 CA GLU A 28 25.372 29.290 20.568 1.00 0.00 C ATOM 420 C GLU A 28 24.324 28.789 21.570 1.00 0.00 C ATOM 421 O GLU A 28 24.445 27.674 22.072 1.00 0.00 O ATOM 422 CB GLU A 28 26.192 30.416 21.210 1.00 0.00 C ATOM 423 CG GLU A 28 27.374 30.924 20.374 1.00 0.00 C ATOM 424 CD GLU A 28 28.350 29.804 20.004 1.00 0.00 C ATOM 425 OE1 GLU A 28 28.951 29.177 20.912 1.00 0.00 O ATOM 426 OE2 GLU A 28 28.499 29.519 18.791 1.00 0.00 O1- ATOM 0 H GLU A 28 24.654 30.741 19.220 1.00 0.00 H new ATOM 0 HA GLU A 28 26.047 28.474 20.311 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.527 31.255 21.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.571 30.065 22.170 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.998 31.390 19.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.905 31.696 20.931 1.00 0.00 H new ATOM 433 N CYS A 29 23.263 29.564 21.828 1.00 0.00 N ATOM 434 CA CYS A 29 22.256 29.242 22.849 1.00 0.00 C ATOM 435 C CYS A 29 21.598 27.872 22.606 1.00 0.00 C ATOM 436 O CYS A 29 21.448 27.085 23.543 1.00 0.00 O ATOM 437 CB CYS A 29 21.188 30.347 22.891 1.00 0.00 C ATOM 438 SG CYS A 29 21.770 31.998 23.360 1.00 0.00 S ATOM 0 H CYS A 29 23.077 30.436 21.333 1.00 0.00 H new ATOM 0 HA CYS A 29 22.765 29.186 23.811 1.00 0.00 H new ATOM 0 HB2 CYS A 29 20.724 30.413 21.907 1.00 0.00 H new ATOM 0 HB3 CYS A 29 20.409 30.046 23.592 1.00 0.00 H new ATOM 443 N ARG A 30 21.256 27.568 21.345 1.00 0.00 N ATOM 444 CA ARG A 30 20.597 26.316 20.927 1.00 0.00 C ATOM 445 C ARG A 30 21.523 25.092 20.826 1.00 0.00 C ATOM 446 O ARG A 30 21.049 23.980 20.596 1.00 0.00 O ATOM 447 CB ARG A 30 19.788 26.599 19.648 1.00 0.00 C ATOM 448 CG ARG A 30 20.568 26.405 18.337 1.00 0.00 C ATOM 449 CD ARG A 30 19.774 26.905 17.124 1.00 0.00 C ATOM 450 NE ARG A 30 18.471 26.220 16.962 1.00 0.00 N ATOM 451 CZ ARG A 30 18.180 25.222 16.147 1.00 0.00 C ATOM 452 NH1 ARG A 30 19.062 24.605 15.419 1.00 0.00 N1+ ATOM 453 NH2 ARG A 30 16.961 24.796 16.032 1.00 0.00 N ATOM 0 H ARG A 30 21.434 28.201 20.565 1.00 0.00 H new ATOM 0 HA ARG A 30 19.918 26.009 21.722 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.915 25.947 19.635 1.00 0.00 H new ATOM 0 HB3 ARG A 30 19.419 27.624 19.687 1.00 0.00 H new ATOM 0 HG2 ARG A 30 21.517 26.939 18.396 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.804 25.349 18.207 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.604 27.977 17.225 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.369 26.760 16.222 1.00 0.00 H new ATOM 0 HE ARG A 30 17.709 26.559 17.549 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.042 24.885 15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 30 18.774 23.840 14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.215 25.232 16.574 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.748 24.025 15.400 1.00 0.00 H new ATOM 467 N LEU A 31 22.835 25.290 20.980 1.00 0.00 N ATOM 468 CA LEU A 31 23.826 24.211 21.098 1.00 0.00 C ATOM 469 C LEU A 31 24.403 24.063 22.517 1.00 0.00 C ATOM 470 O LEU A 31 24.842 22.969 22.884 1.00 0.00 O ATOM 471 CB LEU A 31 24.914 24.414 20.032 1.00 0.00 C ATOM 472 CG LEU A 31 24.434 24.119 18.594 1.00 0.00 C ATOM 473 CD1 LEU A 31 25.570 24.386 17.616 1.00 0.00 C ATOM 474 CD2 LEU A 31 24.006 22.664 18.386 1.00 0.00 C ATOM 0 H LEU A 31 23.248 26.221 21.027 1.00 0.00 H new ATOM 0 HA LEU A 31 23.322 23.262 20.916 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.273 25.442 20.082 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.762 23.769 20.263 1.00 0.00 H new ATOM 0 HG LEU A 31 23.573 24.766 18.425 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.232 24.178 16.601 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.876 25.429 17.690 1.00 0.00 H new ATOM 0 HD13 LEU A 31 26.416 23.742 17.856 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.680 22.524 17.355 1.00 0.00 H new ATOM 0 HD22 LEU A 31 24.848 22.004 18.593 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.184 22.426 19.062 1.00 0.00 H new ATOM 486 N ARG A 32 24.367 25.118 23.339 1.00 0.00 N ATOM 487 CA ARG A 32 24.662 25.096 24.772 1.00 0.00 C ATOM 488 C ARG A 32 23.561 24.386 25.560 1.00 0.00 C ATOM 489 O ARG A 32 23.860 23.491 26.354 1.00 0.00 O ATOM 490 CB ARG A 32 24.798 26.556 25.224 1.00 0.00 C ATOM 491 CG ARG A 32 26.161 27.153 24.922 1.00 0.00 C ATOM 492 CD ARG A 32 27.239 26.672 25.888 1.00 0.00 C ATOM 493 NE ARG A 32 28.472 27.358 25.526 1.00 0.00 N ATOM 494 CZ ARG A 32 29.666 27.210 26.055 1.00 0.00 C ATOM 495 NH1 ARG A 32 29.937 26.388 27.025 1.00 0.00 N1+ ATOM 496 NH2 ARG A 32 30.651 27.916 25.604 1.00 0.00 N ATOM 0 H ARG A 32 24.120 26.050 23.007 1.00 0.00 H new ATOM 0 HA ARG A 32 25.582 24.542 24.959 1.00 0.00 H new ATOM 0 HB2 ARG A 32 24.030 27.154 24.733 1.00 0.00 H new ATOM 0 HB3 ARG A 32 24.612 26.616 26.296 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.449 26.894 23.903 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.096 28.240 24.968 1.00 0.00 H new ATOM 0 HD2 ARG A 32 26.961 26.896 26.918 1.00 0.00 H new ATOM 0 HD3 ARG A 32 27.364 25.591 25.819 1.00 0.00 H new ATOM 0 HE ARG A 32 28.400 28.037 24.768 1.00 0.00 H new ATOM 0 HH11 ARG A 32 29.199 25.807 27.423 1.00 0.00 H new ATOM 0 HH12 ARG A 32 30.888 26.324 27.388 1.00 0.00 H new ATOM 0 HH21 ARG A 32 30.497 28.580 24.845 1.00 0.00 H new ATOM 0 HH22 ARG A 32 31.582 27.809 26.007 1.00 0.00 H new ATOM 510 N TYR A 33 22.312 24.771 25.312 1.00 0.00 N ATOM 511 CA TYR A 33 21.094 24.124 25.803 1.00 0.00 C ATOM 512 C TYR A 33 20.420 23.321 24.672 1.00 0.00 C ATOM 513 O TYR A 33 20.999 23.111 23.604 1.00 0.00 O ATOM 514 CB TYR A 33 20.152 25.219 26.350 1.00 0.00 C ATOM 515 CG TYR A 33 20.761 26.179 27.355 1.00 0.00 C ATOM 516 CD1 TYR A 33 20.731 27.564 27.106 1.00 0.00 C ATOM 517 CD2 TYR A 33 21.350 25.689 28.537 1.00 0.00 C ATOM 518 CE1 TYR A 33 21.338 28.457 28.013 1.00 0.00 C ATOM 519 CE2 TYR A 33 21.949 26.579 29.449 1.00 0.00 C ATOM 520 CZ TYR A 33 21.958 27.966 29.182 1.00 0.00 C ATOM 521 OH TYR A 33 22.551 28.830 30.051 1.00 0.00 O ATOM 0 H TYR A 33 22.109 25.586 24.733 1.00 0.00 H new ATOM 0 HA TYR A 33 21.334 23.421 26.600 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.773 25.798 25.508 1.00 0.00 H new ATOM 0 HB3 TYR A 33 19.294 24.733 26.815 1.00 0.00 H new ATOM 0 HD1 TYR A 33 20.243 27.943 26.220 1.00 0.00 H new ATOM 0 HD2 TYR A 33 21.342 24.629 28.744 1.00 0.00 H new ATOM 0 HE1 TYR A 33 21.328 29.518 27.813 1.00 0.00 H new ATOM 0 HE2 TYR A 33 22.402 26.201 30.354 1.00 0.00 H new ATOM 0 HH TYR A 33 22.929 28.329 30.804 1.00 0.00 H new ATOM 531 N TYR A 34 19.177 22.897 24.908 1.00 0.00 N ATOM 532 CA TYR A 34 18.274 22.350 23.893 1.00 0.00 C ATOM 533 C TYR A 34 18.123 23.239 22.640 1.00 0.00 C ATOM 534 O TYR A 34 18.165 24.471 22.708 1.00 0.00 O ATOM 535 CB TYR A 34 16.901 22.067 24.532 1.00 0.00 C ATOM 536 CG TYR A 34 16.076 23.218 25.113 1.00 0.00 C ATOM 537 CD1 TYR A 34 16.593 24.518 25.321 1.00 0.00 C ATOM 538 CD2 TYR A 34 14.749 22.945 25.498 1.00 0.00 C ATOM 539 CE1 TYR A 34 15.808 25.526 25.904 1.00 0.00 C ATOM 540 CE2 TYR A 34 13.952 23.952 26.074 1.00 0.00 C ATOM 541 CZ TYR A 34 14.480 25.242 26.275 1.00 0.00 C ATOM 542 OH TYR A 34 13.718 26.213 26.828 1.00 0.00 O ATOM 0 H TYR A 34 18.758 22.925 25.838 1.00 0.00 H new ATOM 0 HA TYR A 34 18.724 21.424 23.535 1.00 0.00 H new ATOM 0 HB2 TYR A 34 16.287 21.577 23.777 1.00 0.00 H new ATOM 0 HB3 TYR A 34 17.059 21.345 25.333 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.608 24.739 25.027 1.00 0.00 H new ATOM 0 HD2 TYR A 34 14.340 21.956 25.350 1.00 0.00 H new ATOM 0 HE1 TYR A 34 16.220 26.511 26.066 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.934 23.735 26.362 1.00 0.00 H new ATOM 0 HH TYR A 34 13.729 27.005 26.252 1.00 0.00 H new ATOM 552 N GLN A 35 17.850 22.621 21.487 1.00 0.00 N ATOM 553 CA GLN A 35 17.689 23.342 20.213 1.00 0.00 C ATOM 554 C GLN A 35 16.515 24.347 20.185 1.00 0.00 C ATOM 555 O GLN A 35 16.469 25.219 19.318 1.00 0.00 O ATOM 556 CB GLN A 35 17.606 22.336 19.061 1.00 0.00 C ATOM 557 CG GLN A 35 16.272 21.577 18.982 1.00 0.00 C ATOM 558 CD GLN A 35 16.233 20.600 17.813 1.00 0.00 C ATOM 559 OE1 GLN A 35 17.213 19.941 17.474 1.00 0.00 O ATOM 560 NE2 GLN A 35 15.103 20.464 17.162 1.00 0.00 N ATOM 0 H GLN A 35 17.734 21.611 21.406 1.00 0.00 H new ATOM 0 HA GLN A 35 18.575 23.966 20.094 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.767 22.863 18.121 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.416 21.614 19.165 1.00 0.00 H new ATOM 0 HG2 GLN A 35 16.110 21.034 19.913 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.455 22.292 18.883 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.286 21.008 17.439 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.041 19.814 16.379 1.00 0.00 H new ATOM 569 N SER A 36 15.578 24.234 21.133 1.00 0.00 N ATOM 570 CA SER A 36 14.445 25.147 21.339 1.00 0.00 C ATOM 571 C SER A 36 14.805 26.460 22.058 1.00 0.00 C ATOM 572 O SER A 36 13.911 27.281 22.292 1.00 0.00 O ATOM 573 CB SER A 36 13.349 24.422 22.128 1.00 0.00 C ATOM 574 OG SER A 36 12.906 23.279 21.420 1.00 0.00 O ATOM 0 H SER A 36 15.588 23.470 21.808 1.00 0.00 H new ATOM 0 HA SER A 36 14.103 25.432 20.344 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.730 24.127 23.106 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.511 25.097 22.303 1.00 0.00 H new ATOM 0 HG SER A 36 12.208 22.825 21.936 1.00 0.00 H new ATOM 580 N ALA A 37 16.072 26.682 22.423 1.00 0.00 N ATOM 581 CA ALA A 37 16.532 27.948 23.008 1.00 0.00 C ATOM 582 C ALA A 37 16.483 29.139 22.022 1.00 0.00 C ATOM 583 O ALA A 37 16.397 28.978 20.802 1.00 0.00 O ATOM 584 CB ALA A 37 17.954 27.751 23.548 1.00 0.00 C ATOM 0 H ALA A 37 16.811 25.986 22.321 1.00 0.00 H new ATOM 0 HA ALA A 37 15.846 28.208 23.814 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.309 28.684 23.986 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.949 26.971 24.310 1.00 0.00 H new ATOM 0 HB3 ALA A 37 18.615 27.458 22.733 1.00 0.00 H new ATOM 590 N HIS A 38 16.588 30.359 22.554 1.00 0.00 N ATOM 591 CA HIS A 38 16.693 31.607 21.787 1.00 0.00 C ATOM 592 C HIS A 38 17.681 32.586 22.451 1.00 0.00 C ATOM 593 O HIS A 38 18.314 32.231 23.446 1.00 0.00 O ATOM 594 CB HIS A 38 15.277 32.184 21.619 1.00 0.00 C ATOM 595 CG HIS A 38 15.206 33.217 20.531 1.00 0.00 C ATOM 596 ND1 HIS A 38 15.527 32.987 19.193 1.00 0.00 N ATOM 597 CD2 HIS A 38 14.937 34.539 20.700 1.00 0.00 C ATOM 598 CE1 HIS A 38 15.462 34.184 18.587 1.00 0.00 C ATOM 599 NE2 HIS A 38 15.110 35.130 19.472 1.00 0.00 N ATOM 0 H HIS A 38 16.603 30.513 23.562 1.00 0.00 H new ATOM 0 HA HIS A 38 17.105 31.418 20.796 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.582 31.375 21.394 1.00 0.00 H new ATOM 0 HB3 HIS A 38 14.955 32.629 22.560 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.645 35.028 21.618 1.00 0.00 H new ATOM 0 HE1 HIS A 38 15.663 34.360 17.541 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.991 36.122 19.267 1.00 0.00 H new ATOM 607 N GLY A 39 17.848 33.803 21.924 1.00 0.00 N ATOM 608 CA GLY A 39 18.681 34.844 22.540 1.00 0.00 C ATOM 609 C GLY A 39 18.833 36.123 21.711 1.00 0.00 C ATOM 610 O GLY A 39 18.467 36.155 20.537 1.00 0.00 O ATOM 0 H GLY A 39 17.407 34.097 21.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 18.254 35.105 23.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 19.672 34.431 22.729 1.00 0.00 H new ATOM 614 N TYR A 40 19.413 37.164 22.313 1.00 0.00 N ATOM 615 CA TYR A 40 19.776 38.432 21.659 1.00 0.00 C ATOM 616 C TYR A 40 21.064 39.049 22.224 1.00 0.00 C ATOM 617 O TYR A 40 21.597 38.591 23.234 1.00 0.00 O ATOM 618 CB TYR A 40 18.597 39.426 21.645 1.00 0.00 C ATOM 619 CG TYR A 40 18.171 40.142 22.926 1.00 0.00 C ATOM 620 CD1 TYR A 40 18.522 39.690 24.218 1.00 0.00 C ATOM 621 CD2 TYR A 40 17.371 41.295 22.800 1.00 0.00 C ATOM 622 CE1 TYR A 40 18.091 40.396 25.361 1.00 0.00 C ATOM 623 CE2 TYR A 40 16.940 42.003 23.939 1.00 0.00 C ATOM 624 CZ TYR A 40 17.301 41.558 25.226 1.00 0.00 C ATOM 625 OH TYR A 40 16.853 42.223 26.326 1.00 0.00 O ATOM 0 H TYR A 40 19.653 37.151 23.304 1.00 0.00 H new ATOM 0 HA TYR A 40 19.999 38.193 20.619 1.00 0.00 H new ATOM 0 HB2 TYR A 40 18.834 40.195 20.910 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.726 38.887 21.273 1.00 0.00 H new ATOM 0 HD1 TYR A 40 19.123 38.800 24.331 1.00 0.00 H new ATOM 0 HD2 TYR A 40 17.085 41.640 21.818 1.00 0.00 H new ATOM 0 HE1 TYR A 40 18.367 40.045 26.345 1.00 0.00 H new ATOM 0 HE2 TYR A 40 16.332 42.888 23.825 1.00 0.00 H new ATOM 0 HH TYR A 40 16.325 43.000 26.046 1.00 0.00 H new ATOM 635 N CYS A 41 21.597 40.066 21.547 1.00 0.00 N ATOM 636 CA CYS A 41 22.928 40.614 21.836 1.00 0.00 C ATOM 637 C CYS A 41 22.860 41.868 22.723 1.00 0.00 C ATOM 638 O CYS A 41 23.152 42.982 22.287 1.00 0.00 O ATOM 639 CB CYS A 41 23.677 40.808 20.519 1.00 0.00 C ATOM 640 SG CYS A 41 24.083 39.245 19.698 1.00 0.00 S ATOM 0 H CYS A 41 21.118 40.537 20.779 1.00 0.00 H new ATOM 0 HA CYS A 41 23.500 39.906 22.435 1.00 0.00 H new ATOM 0 HB2 CYS A 41 23.070 41.417 19.849 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.596 41.362 20.709 1.00 0.00 H new ATOM 645 N TYR A 42 22.441 41.678 23.975 1.00 0.00 N ATOM 646 CA TYR A 42 22.335 42.723 24.999 1.00 0.00 C ATOM 647 C TYR A 42 23.715 43.339 25.290 1.00 0.00 C ATOM 648 O TYR A 42 24.655 42.618 25.637 1.00 0.00 O ATOM 649 CB TYR A 42 21.684 42.105 26.247 1.00 0.00 C ATOM 650 CG TYR A 42 21.584 43.034 27.442 1.00 0.00 C ATOM 651 CD1 TYR A 42 22.588 43.016 28.430 1.00 0.00 C ATOM 652 CD2 TYR A 42 20.489 43.912 27.569 1.00 0.00 C ATOM 653 CE1 TYR A 42 22.521 43.895 29.526 1.00 0.00 C ATOM 654 CE2 TYR A 42 20.417 44.790 28.670 1.00 0.00 C ATOM 655 CZ TYR A 42 21.440 44.794 29.640 1.00 0.00 C ATOM 656 OH TYR A 42 21.407 45.699 30.651 1.00 0.00 O ATOM 0 H TYR A 42 22.156 40.761 24.318 1.00 0.00 H new ATOM 0 HA TYR A 42 21.708 43.544 24.651 1.00 0.00 H new ATOM 0 HB2 TYR A 42 20.682 41.764 25.985 1.00 0.00 H new ATOM 0 HB3 TYR A 42 22.255 41.223 26.538 1.00 0.00 H new ATOM 0 HD1 TYR A 42 23.413 42.324 28.346 1.00 0.00 H new ATOM 0 HD2 TYR A 42 19.707 43.912 26.825 1.00 0.00 H new ATOM 0 HE1 TYR A 42 23.295 43.882 30.279 1.00 0.00 H new ATOM 0 HE2 TYR A 42 19.577 45.461 28.770 1.00 0.00 H new ATOM 0 HH TYR A 42 20.593 46.240 30.579 1.00 0.00 H new ATOM 666 N ALA A 43 23.856 44.657 25.115 1.00 0.00 N ATOM 667 CA ALA A 43 25.138 45.372 25.205 1.00 0.00 C ATOM 668 C ALA A 43 26.266 44.713 24.366 1.00 0.00 C ATOM 669 O ALA A 43 27.388 44.497 24.843 1.00 0.00 O ATOM 670 CB ALA A 43 25.486 45.596 26.683 1.00 0.00 C ATOM 0 H ALA A 43 23.069 45.270 24.903 1.00 0.00 H new ATOM 0 HA ALA A 43 25.033 46.353 24.741 1.00 0.00 H new ATOM 0 HB1 ALA A 43 26.436 46.126 26.757 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.702 46.188 27.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 25.567 44.633 27.188 1.00 0.00 H new ATOM 676 N PHE A 44 25.949 44.351 23.114 1.00 0.00 N ATOM 677 CA PHE A 44 26.845 43.695 22.146 1.00 0.00 C ATOM 678 C PHE A 44 27.396 42.320 22.597 1.00 0.00 C ATOM 679 O PHE A 44 28.383 41.827 22.043 1.00 0.00 O ATOM 680 CB PHE A 44 27.945 44.669 21.676 1.00 0.00 C ATOM 681 CG PHE A 44 27.471 46.019 21.165 1.00 0.00 C ATOM 682 CD1 PHE A 44 27.291 46.227 19.784 1.00 0.00 C ATOM 683 CD2 PHE A 44 27.235 47.083 22.061 1.00 0.00 C ATOM 684 CE1 PHE A 44 26.869 47.482 19.307 1.00 0.00 C ATOM 685 CE2 PHE A 44 26.776 48.324 21.585 1.00 0.00 C ATOM 686 CZ PHE A 44 26.590 48.524 20.207 1.00 0.00 C ATOM 0 H PHE A 44 25.018 44.515 22.730 1.00 0.00 H new ATOM 0 HA PHE A 44 26.228 43.442 21.284 1.00 0.00 H new ATOM 0 HB2 PHE A 44 28.631 44.838 22.506 1.00 0.00 H new ATOM 0 HB3 PHE A 44 28.517 44.184 20.884 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.477 45.421 19.089 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.408 46.944 23.118 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.759 47.645 18.245 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.566 49.124 22.279 1.00 0.00 H new ATOM 0 HZ PHE A 44 26.234 49.476 19.841 1.00 0.00 H new ATOM 696 N ALA A 45 26.748 41.662 23.567 1.00 0.00 N ATOM 697 CA ALA A 45 27.111 40.330 24.050 1.00 0.00 C ATOM 698 C ALA A 45 25.891 39.412 24.203 1.00 0.00 C ATOM 699 O ALA A 45 24.786 39.848 24.529 1.00 0.00 O ATOM 700 CB ALA A 45 27.935 40.455 25.338 1.00 0.00 C ATOM 0 H ALA A 45 25.938 42.054 24.047 1.00 0.00 H new ATOM 0 HA ALA A 45 27.735 39.845 23.299 1.00 0.00 H new ATOM 0 HB1 ALA A 45 28.204 39.461 25.696 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.841 41.026 25.136 1.00 0.00 H new ATOM 0 HB3 ALA A 45 27.346 40.967 26.099 1.00 0.00 H new ATOM 706 N CYS A 46 26.073 38.122 23.941 1.00 0.00 N ATOM 707 CA CYS A 46 24.970 37.179 23.830 1.00 0.00 C ATOM 708 C CYS A 46 24.289 36.893 25.182 1.00 0.00 C ATOM 709 O CYS A 46 24.936 36.586 26.192 1.00 0.00 O ATOM 710 CB CYS A 46 25.476 35.922 23.124 1.00 0.00 C ATOM 711 SG CYS A 46 24.230 34.639 22.829 1.00 0.00 S ATOM 0 H CYS A 46 26.992 37.702 23.800 1.00 0.00 H new ATOM 0 HA CYS A 46 24.177 37.621 23.227 1.00 0.00 H new ATOM 0 HB2 CYS A 46 25.907 36.213 22.166 1.00 0.00 H new ATOM 0 HB3 CYS A 46 26.282 35.492 23.719 1.00 0.00 H new ATOM 716 N TRP A 47 22.961 36.990 25.169 1.00 0.00 N ATOM 717 CA TRP A 47 22.037 36.813 26.284 1.00 0.00 C ATOM 718 C TRP A 47 20.908 35.880 25.821 1.00 0.00 C ATOM 719 O TRP A 47 20.101 36.249 24.964 1.00 0.00 O ATOM 720 CB TRP A 47 21.502 38.192 26.678 1.00 0.00 C ATOM 721 CG TRP A 47 20.571 38.192 27.843 1.00 0.00 C ATOM 722 CD1 TRP A 47 19.261 37.867 27.811 1.00 0.00 C ATOM 723 CD2 TRP A 47 20.871 38.500 29.234 1.00 0.00 C ATOM 724 NE1 TRP A 47 18.729 37.967 29.080 1.00 0.00 N ATOM 725 CE2 TRP A 47 19.681 38.333 30.003 1.00 0.00 C ATOM 726 CE3 TRP A 47 22.024 38.936 29.914 1.00 0.00 C ATOM 727 CZ2 TRP A 47 19.638 38.580 31.384 1.00 0.00 C ATOM 728 CZ3 TRP A 47 21.992 39.188 31.296 1.00 0.00 C ATOM 729 CH2 TRP A 47 20.806 39.016 32.033 1.00 0.00 C ATOM 0 H TRP A 47 22.464 37.213 24.306 1.00 0.00 H new ATOM 0 HA TRP A 47 22.522 36.367 27.153 1.00 0.00 H new ATOM 0 HB2 TRP A 47 22.347 38.842 26.906 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.988 38.626 25.820 1.00 0.00 H new ATOM 0 HD1 TRP A 47 18.713 37.574 26.927 1.00 0.00 H new ATOM 0 HE1 TRP A 47 17.750 37.791 29.306 1.00 0.00 H new ATOM 0 HE3 TRP A 47 22.944 39.079 29.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 18.722 38.437 31.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 22.889 39.518 31.799 1.00 0.00 H new ATOM 0 HH2 TRP A 47 20.793 39.218 33.094 1.00 0.00 H new ATOM 740 N CYS A 48 20.873 34.651 26.332 1.00 0.00 N ATOM 741 CA CYS A 48 19.923 33.626 25.906 1.00 0.00 C ATOM 742 C CYS A 48 18.538 33.811 26.564 1.00 0.00 C ATOM 743 O CYS A 48 18.428 34.195 27.731 1.00 0.00 O ATOM 744 CB CYS A 48 20.522 32.236 26.161 1.00 0.00 C ATOM 745 SG CYS A 48 22.124 31.899 25.369 1.00 0.00 S ATOM 0 H CYS A 48 21.511 34.335 27.062 1.00 0.00 H new ATOM 0 HA CYS A 48 19.749 33.728 24.835 1.00 0.00 H new ATOM 0 HB2 CYS A 48 20.636 32.104 27.237 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.807 31.487 25.822 1.00 0.00 H new ATOM 750 N THR A 49 17.469 33.522 25.819 1.00 0.00 N ATOM 751 CA THR A 49 16.062 33.756 26.200 1.00 0.00 C ATOM 752 C THR A 49 15.160 32.586 25.799 1.00 0.00 C ATOM 753 O THR A 49 15.600 31.663 25.109 1.00 0.00 O ATOM 754 CB THR A 49 15.517 35.077 25.615 1.00 0.00 C ATOM 755 OG1 THR A 49 15.351 35.012 24.214 1.00 0.00 O ATOM 756 CG2 THR A 49 16.414 36.277 25.913 1.00 0.00 C ATOM 0 H THR A 49 17.557 33.101 24.894 1.00 0.00 H new ATOM 0 HA THR A 49 16.049 33.837 27.287 1.00 0.00 H new ATOM 0 HB THR A 49 14.553 35.213 26.105 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.453 34.678 24.006 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.977 37.175 25.476 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.504 36.405 26.992 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.402 36.108 25.484 1.00 0.00 H new ATOM 764 N HIS A 50 13.899 32.610 26.251 1.00 0.00 N ATOM 765 CA HIS A 50 12.913 31.542 26.020 1.00 0.00 C ATOM 766 C HIS A 50 13.371 30.183 26.579 1.00 0.00 C ATOM 767 O HIS A 50 13.117 29.137 25.981 1.00 0.00 O ATOM 768 CB HIS A 50 12.470 31.502 24.543 1.00 0.00 C ATOM 769 CG HIS A 50 11.961 32.822 24.010 1.00 0.00 C ATOM 770 ND1 HIS A 50 12.750 33.898 23.581 1.00 0.00 N ATOM 771 CD2 HIS A 50 10.645 33.167 23.894 1.00 0.00 C ATOM 772 CE1 HIS A 50 11.883 34.862 23.219 1.00 0.00 C ATOM 773 NE2 HIS A 50 10.616 34.449 23.394 1.00 0.00 N ATOM 0 H HIS A 50 13.527 33.386 26.798 1.00 0.00 H new ATOM 0 HA HIS A 50 12.019 31.783 26.595 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.312 31.177 23.932 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.687 30.752 24.431 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.793 32.553 24.146 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.166 35.833 22.840 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.777 34.992 23.191 1.00 0.00 H new ATOM 781 N LEU A 51 14.098 30.209 27.703 1.00 0.00 N ATOM 782 CA LEU A 51 14.736 29.046 28.325 1.00 0.00 C ATOM 783 C LEU A 51 13.854 28.372 29.386 1.00 0.00 C ATOM 784 O LEU A 51 13.074 29.028 30.081 1.00 0.00 O ATOM 785 CB LEU A 51 16.090 29.433 28.952 1.00 0.00 C ATOM 786 CG LEU A 51 17.050 30.235 28.058 1.00 0.00 C ATOM 787 CD1 LEU A 51 18.312 30.570 28.851 1.00 0.00 C ATOM 788 CD2 LEU A 51 17.444 29.456 26.803 1.00 0.00 C ATOM 0 H LEU A 51 14.263 31.072 28.221 1.00 0.00 H new ATOM 0 HA LEU A 51 14.893 28.324 27.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.896 30.014 29.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.596 28.520 29.264 1.00 0.00 H new ATOM 0 HG LEU A 51 16.536 31.144 27.745 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.997 31.139 28.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.045 31.163 29.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.796 29.647 29.172 1.00 0.00 H new ATOM 0 HD21 LEU A 51 18.123 30.058 26.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 17.940 28.529 27.091 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.551 29.225 26.223 1.00 0.00 H new ATOM 800 N TYR A 52 14.076 27.070 29.545 1.00 0.00 N ATOM 801 CA TYR A 52 13.560 26.196 30.597 1.00 0.00 C ATOM 802 C TYR A 52 14.175 26.438 31.986 1.00 0.00 C ATOM 803 O TYR A 52 15.185 27.129 32.139 1.00 0.00 O ATOM 804 CB TYR A 52 13.767 24.731 30.155 1.00 0.00 C ATOM 805 CG TYR A 52 15.145 24.238 29.701 1.00 0.00 C ATOM 806 CD1 TYR A 52 16.345 24.967 29.876 1.00 0.00 C ATOM 807 CD2 TYR A 52 15.206 22.974 29.081 1.00 0.00 C ATOM 808 CE1 TYR A 52 17.578 24.436 29.438 1.00 0.00 C ATOM 809 CE2 TYR A 52 16.432 22.437 28.646 1.00 0.00 C ATOM 810 CZ TYR A 52 17.624 23.167 28.822 1.00 0.00 C ATOM 811 OH TYR A 52 18.808 22.635 28.422 1.00 0.00 O ATOM 0 H TYR A 52 14.668 26.558 28.891 1.00 0.00 H new ATOM 0 HA TYR A 52 12.502 26.427 30.720 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.458 24.098 30.987 1.00 0.00 H new ATOM 0 HB3 TYR A 52 13.073 24.542 29.336 1.00 0.00 H new ATOM 0 HD1 TYR A 52 16.318 25.938 30.349 1.00 0.00 H new ATOM 0 HD2 TYR A 52 14.297 22.408 28.937 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.488 25.002 29.575 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.459 21.465 28.177 1.00 0.00 H new ATOM 0 HH TYR A 52 18.652 21.755 28.019 1.00 0.00 H new ATOM 821 N GLU A 53 13.604 25.789 33.002 1.00 0.00 N ATOM 822 CA GLU A 53 14.141 25.761 34.371 1.00 0.00 C ATOM 823 C GLU A 53 15.587 25.218 34.448 1.00 0.00 C ATOM 824 O GLU A 53 16.339 25.610 35.344 1.00 0.00 O ATOM 825 CB GLU A 53 13.185 24.960 35.288 1.00 0.00 C ATOM 826 CG GLU A 53 13.227 23.445 35.028 1.00 0.00 C ATOM 827 CD GLU A 53 11.905 22.723 35.322 1.00 0.00 C ATOM 828 OE1 GLU A 53 11.834 21.896 36.260 1.00 0.00 O ATOM 829 OE2 GLU A 53 10.930 22.902 34.547 1.00 0.00 O1- ATOM 0 H GLU A 53 12.740 25.257 32.899 1.00 0.00 H new ATOM 0 HA GLU A 53 14.199 26.792 34.721 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.445 25.151 36.329 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.166 25.319 35.143 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.499 23.273 33.987 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.014 23.004 35.640 1.00 0.00 H new ATOM 836 N GLN A 54 16.010 24.361 33.502 1.00 0.00 N ATOM 837 CA GLN A 54 17.355 23.774 33.483 1.00 0.00 C ATOM 838 C GLN A 54 18.484 24.724 33.027 1.00 0.00 C ATOM 839 O GLN A 54 19.644 24.306 33.002 1.00 0.00 O ATOM 840 CB GLN A 54 17.366 22.457 32.682 1.00 0.00 C ATOM 841 CG GLN A 54 16.520 21.341 33.322 1.00 0.00 C ATOM 842 CD GLN A 54 15.043 21.353 32.953 1.00 0.00 C ATOM 843 OE1 GLN A 54 14.595 21.994 32.017 1.00 0.00 O ATOM 844 NE2 GLN A 54 14.212 20.623 33.658 1.00 0.00 N ATOM 0 H GLN A 54 15.422 24.057 32.726 1.00 0.00 H new ATOM 0 HA GLN A 54 17.587 23.565 34.527 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.996 22.650 31.675 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.395 22.110 32.582 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.942 20.378 33.035 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.608 21.417 34.406 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.557 20.076 34.447 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.221 20.602 33.417 1.00 0.00 H new ATOM 853 N ALA A 55 18.198 25.978 32.666 1.00 0.00 N ATOM 854 CA ALA A 55 19.234 27.002 32.470 1.00 0.00 C ATOM 855 C ALA A 55 19.650 27.607 33.832 1.00 0.00 C ATOM 856 O ALA A 55 18.788 27.835 34.682 1.00 0.00 O ATOM 857 CB ALA A 55 18.714 28.064 31.491 1.00 0.00 C ATOM 0 H ALA A 55 17.249 26.313 32.502 1.00 0.00 H new ATOM 0 HA ALA A 55 20.129 26.556 32.036 1.00 0.00 H new ATOM 0 HB1 ALA A 55 19.478 28.827 31.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.479 27.594 30.536 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.815 28.526 31.899 1.00 0.00 H new ATOM 863 N VAL A 56 20.943 27.887 34.046 1.00 0.00 N ATOM 864 CA VAL A 56 21.488 28.261 35.373 1.00 0.00 C ATOM 865 C VAL A 56 22.263 29.590 35.372 1.00 0.00 C ATOM 866 O VAL A 56 21.843 30.555 36.016 1.00 0.00 O ATOM 867 CB VAL A 56 22.327 27.092 35.941 1.00 0.00 C ATOM 868 CG1 VAL A 56 22.993 27.429 37.280 1.00 0.00 C ATOM 869 CG2 VAL A 56 21.462 25.841 36.146 1.00 0.00 C ATOM 0 H VAL A 56 21.647 27.863 33.308 1.00 0.00 H new ATOM 0 HA VAL A 56 20.640 28.441 36.034 1.00 0.00 H new ATOM 0 HB VAL A 56 23.105 26.906 35.200 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.567 26.570 37.627 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.659 28.282 37.151 1.00 0.00 H new ATOM 0 HG13 VAL A 56 22.227 27.675 38.016 1.00 0.00 H new ATOM 0 HG21 VAL A 56 22.077 25.035 36.546 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.658 26.066 36.847 1.00 0.00 H new ATOM 0 HG23 VAL A 56 21.036 25.533 35.191 1.00 0.00 H new ATOM 879 N VAL A 57 23.371 29.659 34.631 1.00 0.00 N ATOM 880 CA VAL A 57 24.288 30.812 34.511 1.00 0.00 C ATOM 881 C VAL A 57 24.967 31.234 35.828 1.00 0.00 C ATOM 882 O VAL A 57 25.919 30.581 36.248 1.00 0.00 O ATOM 883 CB VAL A 57 23.672 31.972 33.698 1.00 0.00 C ATOM 884 CG1 VAL A 57 24.709 33.053 33.362 1.00 0.00 C ATOM 885 CG2 VAL A 57 23.093 31.453 32.375 1.00 0.00 C ATOM 0 H VAL A 57 23.677 28.869 34.062 1.00 0.00 H new ATOM 0 HA VAL A 57 25.129 30.456 33.916 1.00 0.00 H new ATOM 0 HB VAL A 57 22.889 32.404 34.321 1.00 0.00 H new ATOM 0 HG11 VAL A 57 24.232 33.849 32.790 1.00 0.00 H new ATOM 0 HG12 VAL A 57 25.118 33.464 34.285 1.00 0.00 H new ATOM 0 HG13 VAL A 57 25.514 32.614 32.772 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.663 32.284 31.815 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.886 30.991 31.787 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.318 30.715 32.582 1.00 0.00 H new ATOM 895 N TRP A 58 24.535 32.309 36.499 1.00 0.00 N ATOM 896 CA TRP A 58 25.283 32.907 37.621 1.00 0.00 C ATOM 897 C TRP A 58 25.607 31.978 38.816 1.00 0.00 C ATOM 898 O TRP A 58 26.699 32.127 39.367 1.00 0.00 O ATOM 899 CB TRP A 58 24.605 34.205 38.074 1.00 0.00 C ATOM 900 CG TRP A 58 24.406 35.208 36.977 1.00 0.00 C ATOM 901 CD1 TRP A 58 25.304 36.146 36.599 1.00 0.00 C ATOM 902 CD2 TRP A 58 23.275 35.353 36.063 1.00 0.00 C ATOM 903 NE1 TRP A 58 24.811 36.866 35.529 1.00 0.00 N ATOM 904 CE2 TRP A 58 23.565 36.415 35.154 1.00 0.00 C ATOM 905 CE3 TRP A 58 22.031 34.701 35.914 1.00 0.00 C ATOM 906 CZ2 TRP A 58 22.668 36.808 34.153 1.00 0.00 C ATOM 907 CZ3 TRP A 58 21.121 35.092 34.911 1.00 0.00 C ATOM 908 CH2 TRP A 58 21.434 36.148 34.036 1.00 0.00 C ATOM 0 H TRP A 58 23.662 32.790 36.284 1.00 0.00 H new ATOM 0 HA TRP A 58 26.271 33.119 37.211 1.00 0.00 H new ATOM 0 HB2 TRP A 58 23.636 33.963 38.510 1.00 0.00 H new ATOM 0 HB3 TRP A 58 25.205 34.659 38.863 1.00 0.00 H new ATOM 0 HD1 TRP A 58 26.265 36.308 37.065 1.00 0.00 H new ATOM 0 HE1 TRP A 58 25.306 37.633 35.075 1.00 0.00 H new ATOM 0 HE3 TRP A 58 21.773 33.890 36.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 22.923 37.611 33.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.177 34.577 34.814 1.00 0.00 H new ATOM 0 HH2 TRP A 58 20.728 36.450 33.277 1.00 0.00 H new ATOM 919 N PRO A 59 24.782 30.975 39.192 1.00 0.00 N ATOM 920 CA PRO A 59 25.098 30.017 40.262 1.00 0.00 C ATOM 921 C PRO A 59 26.299 29.080 40.034 1.00 0.00 C ATOM 922 O PRO A 59 26.560 28.208 40.869 1.00 0.00 O ATOM 923 CB PRO A 59 23.811 29.225 40.505 1.00 0.00 C ATOM 924 CG PRO A 59 22.714 30.176 40.037 1.00 0.00 C ATOM 925 CD PRO A 59 23.377 30.845 38.841 1.00 0.00 C ATOM 0 HA PRO A 59 25.431 30.590 41.128 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.801 28.292 39.941 1.00 0.00 H new ATOM 0 HB3 PRO A 59 23.693 28.963 41.556 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.804 29.645 39.757 1.00 0.00 H new ATOM 0 HG3 PRO A 59 22.439 30.895 40.808 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.253 30.246 37.939 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.932 31.819 38.641 1.00 0.00 H new ATOM 933 N LEU A 60 27.044 29.242 38.941 1.00 0.00 N ATOM 934 CA LEU A 60 28.332 28.578 38.694 1.00 0.00 C ATOM 935 C LEU A 60 29.391 28.940 39.769 1.00 0.00 C ATOM 936 O LEU A 60 29.310 30.012 40.387 1.00 0.00 O ATOM 937 CB LEU A 60 28.803 28.940 37.271 1.00 0.00 C ATOM 938 CG LEU A 60 28.538 27.854 36.210 1.00 0.00 C ATOM 939 CD1 LEU A 60 27.090 27.355 36.149 1.00 0.00 C ATOM 940 CD2 LEU A 60 28.910 28.408 34.834 1.00 0.00 C ATOM 0 H LEU A 60 26.763 29.857 38.177 1.00 0.00 H new ATOM 0 HA LEU A 60 28.201 27.498 38.767 1.00 0.00 H new ATOM 0 HB2 LEU A 60 28.307 29.860 36.962 1.00 0.00 H new ATOM 0 HB3 LEU A 60 29.873 29.148 37.299 1.00 0.00 H new ATOM 0 HG LEU A 60 29.149 26.999 36.500 1.00 0.00 H new ATOM 0 HD11 LEU A 60 27.000 26.594 35.374 1.00 0.00 H new ATOM 0 HD12 LEU A 60 26.812 26.927 37.112 1.00 0.00 H new ATOM 0 HD13 LEU A 60 26.427 28.189 35.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 28.727 27.648 34.074 1.00 0.00 H new ATOM 0 HD22 LEU A 60 28.304 29.288 34.620 1.00 0.00 H new ATOM 0 HD23 LEU A 60 29.965 28.683 34.825 1.00 0.00 H new ATOM 952 N PRO A 61 30.380 28.057 40.024 1.00 0.00 N ATOM 953 CA PRO A 61 31.324 28.199 41.138 1.00 0.00 C ATOM 954 C PRO A 61 32.451 29.224 40.925 1.00 0.00 C ATOM 955 O PRO A 61 33.020 29.673 41.918 1.00 0.00 O ATOM 956 CB PRO A 61 31.893 26.791 41.358 1.00 0.00 C ATOM 957 CG PRO A 61 31.827 26.159 39.969 1.00 0.00 C ATOM 958 CD PRO A 61 30.540 26.747 39.397 1.00 0.00 C ATOM 0 HA PRO A 61 30.796 28.598 42.004 1.00 0.00 H new ATOM 0 HB2 PRO A 61 32.915 26.826 41.735 1.00 0.00 H new ATOM 0 HB3 PRO A 61 31.304 26.229 42.083 1.00 0.00 H new ATOM 0 HG2 PRO A 61 32.695 26.419 39.364 1.00 0.00 H new ATOM 0 HG3 PRO A 61 31.788 25.071 40.020 1.00 0.00 H new ATOM 0 HD2 PRO A 61 30.602 26.839 38.313 1.00 0.00 H new ATOM 0 HD3 PRO A 61 29.687 26.104 39.615 1.00 0.00 H new ATOM 966 N ASN A 62 32.805 29.592 39.683 1.00 0.00 N ATOM 967 CA ASN A 62 33.947 30.464 39.394 1.00 0.00 C ATOM 968 C ASN A 62 33.595 31.615 38.421 1.00 0.00 C ATOM 969 O ASN A 62 33.632 32.783 38.805 1.00 0.00 O ATOM 970 CB ASN A 62 35.094 29.581 38.871 1.00 0.00 C ATOM 971 CG ASN A 62 35.522 28.446 39.792 1.00 0.00 C ATOM 972 OD1 ASN A 62 35.229 27.279 39.560 1.00 0.00 O ATOM 973 ND2 ASN A 62 36.234 28.720 40.855 1.00 0.00 N ATOM 0 H ASN A 62 32.302 29.289 38.849 1.00 0.00 H new ATOM 0 HA ASN A 62 34.257 30.968 40.309 1.00 0.00 H new ATOM 0 HB2 ASN A 62 34.793 29.155 37.914 1.00 0.00 H new ATOM 0 HB3 ASN A 62 35.959 30.216 38.680 1.00 0.00 H new ATOM 0 HD21 ASN A 62 36.536 27.968 41.475 1.00 0.00 H new ATOM 0 HD22 ASN A 62 36.487 29.686 41.064 1.00 0.00 H new ATOM 980 N LYS A 63 33.220 31.273 37.178 1.00 0.00 N ATOM 981 CA LYS A 63 32.783 32.137 36.055 1.00 0.00 C ATOM 982 C LYS A 63 33.507 33.482 35.800 1.00 0.00 C ATOM 983 O LYS A 63 32.912 34.406 35.249 1.00 0.00 O ATOM 984 CB LYS A 63 31.242 32.214 35.957 1.00 0.00 C ATOM 985 CG LYS A 63 30.530 33.153 36.949 1.00 0.00 C ATOM 986 CD LYS A 63 30.202 32.493 38.293 1.00 0.00 C ATOM 987 CE LYS A 63 29.500 33.503 39.202 1.00 0.00 C ATOM 988 NZ LYS A 63 29.237 32.932 40.539 1.00 0.00 N1+ ATOM 0 H LYS A 63 33.212 30.291 36.901 1.00 0.00 H new ATOM 0 HA LYS A 63 33.165 31.590 35.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.981 32.527 34.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.842 31.209 36.093 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.159 34.025 37.126 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.606 33.513 36.496 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.563 31.624 38.137 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.116 32.136 38.767 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.117 34.396 39.301 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.560 33.814 38.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.312 33.262 40.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.234 31.894 40.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.980 33.238 41.199 1.00 0.00 H new ATOM 1002 N ARG A 64 34.792 33.599 36.150 1.00 0.00 N ATOM 1003 CA ARG A 64 35.674 34.729 35.772 1.00 0.00 C ATOM 1004 C ARG A 64 36.420 34.405 34.469 1.00 0.00 C ATOM 1005 O ARG A 64 36.915 33.285 34.333 1.00 0.00 O ATOM 1006 CB ARG A 64 36.662 35.048 36.905 1.00 0.00 C ATOM 1007 CG ARG A 64 35.944 35.550 38.171 1.00 0.00 C ATOM 1008 CD ARG A 64 36.912 36.179 39.182 1.00 0.00 C ATOM 1009 NE ARG A 64 37.462 37.445 38.679 1.00 0.00 N ATOM 1010 CZ ARG A 64 38.443 38.155 39.203 1.00 0.00 C ATOM 1011 NH1 ARG A 64 39.045 37.842 40.314 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 64 38.823 39.229 38.588 1.00 0.00 N ATOM 0 H ARG A 64 35.268 32.898 36.718 1.00 0.00 H new ATOM 0 HA ARG A 64 35.058 35.613 35.606 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.239 34.155 37.145 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.371 35.804 36.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 35.189 36.284 37.890 1.00 0.00 H new ATOM 0 HG3 ARG A 64 35.420 34.718 38.642 1.00 0.00 H new ATOM 0 HD2 ARG A 64 36.393 36.355 40.124 1.00 0.00 H new ATOM 0 HD3 ARG A 64 37.725 35.484 39.390 1.00 0.00 H new ATOM 0 HE ARG A 64 37.038 37.817 37.829 1.00 0.00 H new ATOM 0 HH11 ARG A 64 38.764 37.008 40.829 1.00 0.00 H new ATOM 0 HH12 ARG A 64 39.798 38.431 40.670 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.366 39.508 37.720 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.579 39.796 38.972 1.00 0.00 H new ATOM 1026 N CYS A 65 36.526 35.356 33.537 1.00 0.00 N ATOM 1027 CA CYS A 65 37.175 35.136 32.237 1.00 0.00 C ATOM 1028 C CYS A 65 38.675 34.794 32.365 1.00 0.00 C ATOM 1029 O CYS A 65 39.492 35.653 32.719 1.00 0.00 O ATOM 1030 CB CYS A 65 36.976 36.371 31.341 1.00 0.00 C ATOM 1031 SG CYS A 65 37.717 36.215 29.687 1.00 0.00 S ATOM 0 H CYS A 65 36.165 36.302 33.660 1.00 0.00 H new ATOM 0 HA CYS A 65 36.699 34.268 31.780 1.00 0.00 H new ATOM 0 HB2 CYS A 65 35.908 36.560 31.233 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.405 37.241 31.839 1.00 0.00 H new ATOM 1036 N LYS A 66 39.039 33.549 32.038 1.00 0.00 N ATOM 1037 CA LYS A 66 40.432 33.095 31.895 1.00 0.00 C ATOM 1038 C LYS A 66 41.044 33.613 30.583 1.00 0.00 C ATOM 1039 O LYS A 66 40.339 33.889 29.615 1.00 0.00 O ATOM 1040 CB LYS A 66 40.507 31.558 31.977 1.00 0.00 C ATOM 1041 CG LYS A 66 39.863 30.968 33.246 1.00 0.00 C ATOM 1042 CD LYS A 66 40.234 29.487 33.395 1.00 0.00 C ATOM 1043 CE LYS A 66 39.430 28.805 34.504 1.00 0.00 C ATOM 1044 NZ LYS A 66 39.916 27.427 34.737 1.00 0.00 N1+ ATOM 0 H LYS A 66 38.359 32.810 31.861 1.00 0.00 H new ATOM 0 HA LYS A 66 41.017 33.507 32.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 40.016 31.133 31.101 1.00 0.00 H new ATOM 0 HB3 LYS A 66 41.553 31.252 31.936 1.00 0.00 H new ATOM 0 HG2 LYS A 66 40.197 31.523 34.123 1.00 0.00 H new ATOM 0 HG3 LYS A 66 38.779 31.075 33.195 1.00 0.00 H new ATOM 0 HD2 LYS A 66 40.058 28.972 32.450 1.00 0.00 H new ATOM 0 HD3 LYS A 66 41.299 29.400 33.612 1.00 0.00 H new ATOM 0 HE2 LYS A 66 39.509 29.383 35.424 1.00 0.00 H new ATOM 0 HE3 LYS A 66 38.375 28.782 34.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 39.356 26.985 35.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 39.818 26.872 33.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 40.917 27.455 35.019 1.00 0.00 H new HETATM 1058 N NH2 A 67 42.359 33.711 30.507 1.00 0.00 N TER 1061 NH2 A 67