USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 5 TYR OH : rot 180:sc= -0.555 USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 1:sc= -5.32! USER MOD Single : A 12 SER OG : rot 72:sc= 0.176 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 143:sc= -0.151 (180deg=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.016 (180deg=-0.498) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00423 USER MOD Single : A 32 HIS : no HE2:sc= -8.42! C(o=-8.4!,f=-15!) USER MOD Single : A 36 ASN : amide:sc= -6.04! C(o=-6!,f=-9.7!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 128:sc= -0.183 (180deg=-0.78) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -149:sc= -4.98! USER MOD Single : A 57 THR OG1 : rot -30:sc= 0.225 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.26) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0.0218 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 65.375 -6.569 3.199 1.00 0.00 N ATOM 53 CA ASP A 4 64.074 -6.363 2.499 1.00 0.00 C ATOM 54 C ASP A 4 63.723 -4.890 2.466 1.00 0.00 C ATOM 55 O ASP A 4 63.905 -4.185 3.416 1.00 0.00 O ATOM 56 CB ASP A 4 63.059 -7.202 3.304 1.00 0.00 C ATOM 57 CG ASP A 4 61.990 -6.315 3.962 1.00 0.00 C ATOM 58 OD1 ASP A 4 61.323 -5.591 3.242 1.00 0.00 O ATOM 59 OD2 ASP A 4 61.858 -6.381 5.173 1.00 0.00 O ATOM 0 HA ASP A 4 64.093 -6.676 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.578 -7.924 2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.584 -7.771 4.071 1.00 0.00 H new ATOM 64 N TYR A 5 63.241 -4.444 1.350 1.00 0.00 N ATOM 65 CA TYR A 5 62.867 -3.002 1.196 1.00 0.00 C ATOM 66 C TYR A 5 62.290 -2.455 2.501 1.00 0.00 C ATOM 67 O TYR A 5 62.841 -1.547 3.091 1.00 0.00 O ATOM 68 CB TYR A 5 61.843 -2.908 0.056 1.00 0.00 C ATOM 69 CG TYR A 5 61.560 -4.261 -0.539 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.852 -5.216 0.192 1.00 0.00 C ATOM 71 CD2 TYR A 5 62.038 -4.562 -1.816 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.617 -6.480 -0.358 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.807 -5.823 -2.369 1.00 0.00 C ATOM 74 CZ TYR A 5 61.093 -6.784 -1.642 1.00 0.00 C ATOM 75 OH TYR A 5 60.864 -8.032 -2.186 1.00 0.00 O ATOM 0 H TYR A 5 63.084 -5.017 0.521 1.00 0.00 H new ATOM 0 HA TYR A 5 63.745 -2.401 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.917 -2.473 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 5 62.218 -2.239 -0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 5 60.486 -4.979 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.587 -3.819 -2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 5 60.070 -7.221 0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 5 62.178 -6.057 -3.356 1.00 0.00 H new ATOM 0 HH TYR A 5 61.259 -8.076 -3.082 1.00 0.00 H new ATOM 85 N TYR A 6 61.209 -3.003 2.983 1.00 0.00 N ATOM 86 CA TYR A 6 60.660 -2.498 4.270 1.00 0.00 C ATOM 87 C TYR A 6 61.804 -2.402 5.269 1.00 0.00 C ATOM 88 O TYR A 6 61.846 -1.525 6.107 1.00 0.00 O ATOM 89 CB TYR A 6 59.615 -3.519 4.694 1.00 0.00 C ATOM 90 CG TYR A 6 58.316 -3.181 4.002 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.443 -2.251 4.578 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.986 -3.793 2.788 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.240 -1.933 3.941 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.781 -3.476 2.150 1.00 0.00 C ATOM 95 CZ TYR A 6 55.909 -2.545 2.727 1.00 0.00 C ATOM 96 OH TYR A 6 54.721 -2.232 2.099 1.00 0.00 O ATOM 0 H TYR A 6 60.690 -3.766 2.549 1.00 0.00 H new ATOM 0 HA TYR A 6 60.207 -1.509 4.197 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.937 -4.526 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.485 -3.502 5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.699 -1.779 5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.661 -4.510 2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.566 -1.215 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.524 -3.949 1.214 1.00 0.00 H new ATOM 0 HH TYR A 6 54.240 -1.560 2.625 1.00 0.00 H new ATOM 106 N GLU A 7 62.766 -3.270 5.136 1.00 0.00 N ATOM 107 CA GLU A 7 63.955 -3.214 6.022 1.00 0.00 C ATOM 108 C GLU A 7 64.991 -2.286 5.378 1.00 0.00 C ATOM 109 O GLU A 7 65.771 -1.641 6.049 1.00 0.00 O ATOM 110 CB GLU A 7 64.476 -4.650 6.092 1.00 0.00 C ATOM 111 CG GLU A 7 64.066 -5.276 7.426 1.00 0.00 C ATOM 112 CD GLU A 7 64.822 -6.592 7.625 1.00 0.00 C ATOM 113 OE1 GLU A 7 64.534 -7.532 6.903 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.674 -6.636 8.497 1.00 0.00 O ATOM 0 H GLU A 7 62.778 -4.021 4.446 1.00 0.00 H new ATOM 0 HA GLU A 7 63.734 -2.833 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 64.074 -5.235 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.561 -4.660 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.286 -4.591 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 7 62.991 -5.456 7.441 1.00 0.00 H new ATOM 121 N ILE A 8 64.987 -2.212 4.068 1.00 0.00 N ATOM 122 CA ILE A 8 65.951 -1.326 3.365 1.00 0.00 C ATOM 123 C ILE A 8 65.840 0.083 3.939 1.00 0.00 C ATOM 124 O ILE A 8 66.823 0.743 4.214 1.00 0.00 O ATOM 125 CB ILE A 8 65.528 -1.337 1.905 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.879 -2.696 1.285 1.00 0.00 C ATOM 127 CG2 ILE A 8 66.277 -0.238 1.161 1.00 0.00 C ATOM 128 CD1 ILE A 8 67.394 -2.822 1.145 1.00 0.00 C ATOM 0 H ILE A 8 64.354 -2.731 3.460 1.00 0.00 H new ATOM 0 HA ILE A 8 66.983 -1.657 3.480 1.00 0.00 H new ATOM 0 HB ILE A 8 64.454 -1.168 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.494 -3.502 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.404 -2.795 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.979 -0.240 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 8 66.039 0.729 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.350 -0.416 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 67.640 -3.788 0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.768 -2.025 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.858 -2.743 2.128 1.00 0.00 H new ATOM 140 N LEU A 9 64.631 0.531 4.137 1.00 0.00 N ATOM 141 CA LEU A 9 64.408 1.886 4.717 1.00 0.00 C ATOM 142 C LEU A 9 64.483 1.785 6.242 1.00 0.00 C ATOM 143 O LEU A 9 64.195 2.721 6.959 1.00 0.00 O ATOM 144 CB LEU A 9 63.002 2.278 4.264 1.00 0.00 C ATOM 145 CG LEU A 9 62.833 1.956 2.781 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.640 1.017 2.591 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.589 3.252 2.008 1.00 0.00 C ATOM 0 H LEU A 9 63.780 0.012 3.920 1.00 0.00 H new ATOM 0 HA LEU A 9 65.147 2.622 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.257 1.740 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.837 3.341 4.437 1.00 0.00 H new ATOM 0 HG LEU A 9 63.736 1.471 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.522 0.789 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.812 0.094 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.735 1.499 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.468 3.026 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.686 3.734 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.439 3.921 2.142 1.00 0.00 H new ATOM 159 N GLY A 10 64.875 0.644 6.743 1.00 0.00 N ATOM 160 CA GLY A 10 64.981 0.467 8.214 1.00 0.00 C ATOM 161 C GLY A 10 63.590 0.310 8.826 1.00 0.00 C ATOM 162 O GLY A 10 63.400 0.532 10.005 1.00 0.00 O ATOM 0 H GLY A 10 65.127 -0.176 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.587 -0.410 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.486 1.326 8.656 1.00 0.00 H new ATOM 166 N VAL A 11 62.606 -0.070 8.050 1.00 0.00 N ATOM 167 CA VAL A 11 61.244 -0.225 8.643 1.00 0.00 C ATOM 168 C VAL A 11 60.828 -1.691 8.666 1.00 0.00 C ATOM 169 O VAL A 11 61.505 -2.557 8.148 1.00 0.00 O ATOM 170 CB VAL A 11 60.256 0.546 7.757 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.588 1.641 8.574 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.927 1.182 6.549 1.00 0.00 C ATOM 0 H VAL A 11 62.683 -0.275 7.054 1.00 0.00 H new ATOM 0 HA VAL A 11 61.249 0.154 9.665 1.00 0.00 H new ATOM 0 HB VAL A 11 59.524 -0.175 7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.886 2.188 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.052 1.194 9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.346 2.326 8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.182 1.714 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.692 1.882 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.388 0.406 5.938 1.00 0.00 H new ATOM 182 N SER A 12 59.698 -1.968 9.253 1.00 0.00 N ATOM 183 CA SER A 12 59.202 -3.366 9.299 1.00 0.00 C ATOM 184 C SER A 12 58.376 -3.661 8.052 1.00 0.00 C ATOM 185 O SER A 12 57.774 -2.777 7.478 1.00 0.00 O ATOM 186 CB SER A 12 58.333 -3.444 10.555 1.00 0.00 C ATOM 187 OG SER A 12 58.027 -2.128 11.000 1.00 0.00 O ATOM 0 H SER A 12 59.095 -1.280 9.705 1.00 0.00 H new ATOM 0 HA SER A 12 60.012 -4.094 9.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 57.414 -3.990 10.342 1.00 0.00 H new ATOM 0 HB3 SER A 12 58.856 -3.993 11.339 1.00 0.00 H new ATOM 0 HG SER A 12 57.386 -1.715 10.384 1.00 0.00 H new ATOM 193 N LYS A 13 58.327 -4.892 7.628 1.00 0.00 N ATOM 194 CA LYS A 13 57.515 -5.209 6.426 1.00 0.00 C ATOM 195 C LYS A 13 56.106 -4.664 6.628 1.00 0.00 C ATOM 196 O LYS A 13 55.365 -4.443 5.691 1.00 0.00 O ATOM 197 CB LYS A 13 57.524 -6.727 6.316 1.00 0.00 C ATOM 198 CG LYS A 13 56.573 -7.332 7.354 1.00 0.00 C ATOM 199 CD LYS A 13 57.127 -8.672 7.844 1.00 0.00 C ATOM 200 CE LYS A 13 56.947 -8.774 9.360 1.00 0.00 C ATOM 201 NZ LYS A 13 58.241 -9.307 9.870 1.00 0.00 N ATOM 0 H LYS A 13 58.808 -5.683 8.057 1.00 0.00 H new ATOM 0 HA LYS A 13 57.905 -4.761 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 13 57.221 -7.029 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.534 -7.105 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.454 -6.648 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.585 -7.474 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.610 -9.494 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 58.182 -8.758 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 13 56.722 -7.801 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.120 -9.437 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 58.193 -9.404 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 58.426 -10.237 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 59.009 -8.652 9.619 1.00 0.00 H new ATOM 215 N THR A 14 55.748 -4.426 7.857 1.00 0.00 N ATOM 216 CA THR A 14 54.407 -3.871 8.158 1.00 0.00 C ATOM 217 C THR A 14 54.549 -2.382 8.498 1.00 0.00 C ATOM 218 O THR A 14 53.636 -1.763 9.006 1.00 0.00 O ATOM 219 CB THR A 14 53.909 -4.668 9.370 1.00 0.00 C ATOM 220 OG1 THR A 14 54.446 -4.100 10.558 1.00 0.00 O ATOM 221 CG2 THR A 14 54.362 -6.128 9.252 1.00 0.00 C ATOM 0 H THR A 14 56.336 -4.595 8.673 1.00 0.00 H new ATOM 0 HA THR A 14 53.712 -3.950 7.322 1.00 0.00 H new ATOM 0 HB THR A 14 52.820 -4.632 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.128 -4.606 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.006 -6.690 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.952 -6.564 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.451 -6.169 9.216 1.00 0.00 H new ATOM 229 N ALA A 15 55.701 -1.815 8.224 1.00 0.00 N ATOM 230 CA ALA A 15 55.946 -0.379 8.517 1.00 0.00 C ATOM 231 C ALA A 15 54.870 0.532 7.907 1.00 0.00 C ATOM 232 O ALA A 15 53.687 0.268 7.972 1.00 0.00 O ATOM 233 CB ALA A 15 57.283 -0.120 7.853 1.00 0.00 C ATOM 0 H ALA A 15 56.492 -2.302 7.802 1.00 0.00 H new ATOM 0 HA ALA A 15 55.928 -0.169 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.569 0.921 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 15 58.039 -0.772 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.204 -0.322 6.785 1.00 0.00 H new ATOM 239 N GLU A 16 55.298 1.614 7.320 1.00 0.00 N ATOM 240 CA GLU A 16 54.360 2.581 6.696 1.00 0.00 C ATOM 241 C GLU A 16 55.168 3.570 5.852 1.00 0.00 C ATOM 242 O GLU A 16 56.166 4.103 6.294 1.00 0.00 O ATOM 243 CB GLU A 16 53.681 3.294 7.865 1.00 0.00 C ATOM 244 CG GLU A 16 52.212 2.876 7.926 1.00 0.00 C ATOM 245 CD GLU A 16 51.324 4.093 7.660 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.181 4.904 8.559 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.802 4.193 6.561 1.00 0.00 O ATOM 0 H GLU A 16 56.282 1.872 7.246 1.00 0.00 H new ATOM 0 HA GLU A 16 53.625 2.107 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.182 3.043 8.800 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.759 4.374 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.013 2.099 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.984 2.453 8.904 1.00 0.00 H new ATOM 254 N GLU A 17 54.753 3.791 4.637 1.00 0.00 N ATOM 255 CA GLU A 17 55.489 4.722 3.723 1.00 0.00 C ATOM 256 C GLU A 17 56.190 5.856 4.488 1.00 0.00 C ATOM 257 O GLU A 17 57.392 5.970 4.466 1.00 0.00 O ATOM 258 CB GLU A 17 54.411 5.294 2.803 1.00 0.00 C ATOM 259 CG GLU A 17 55.075 5.974 1.605 1.00 0.00 C ATOM 260 CD GLU A 17 54.378 7.307 1.326 1.00 0.00 C ATOM 261 OE1 GLU A 17 53.183 7.389 1.562 1.00 0.00 O ATOM 262 OE2 GLU A 17 55.050 8.223 0.880 1.00 0.00 O ATOM 0 H GLU A 17 53.923 3.362 4.228 1.00 0.00 H new ATOM 0 HA GLU A 17 56.279 4.199 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 17 53.748 4.498 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.796 6.011 3.347 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.133 6.140 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.015 5.329 0.728 1.00 0.00 H new ATOM 269 N ARG A 18 55.447 6.702 5.137 1.00 0.00 N ATOM 270 CA ARG A 18 56.060 7.851 5.884 1.00 0.00 C ATOM 271 C ARG A 18 57.406 7.490 6.534 1.00 0.00 C ATOM 272 O ARG A 18 58.393 8.174 6.353 1.00 0.00 O ATOM 273 CB ARG A 18 55.031 8.211 6.956 1.00 0.00 C ATOM 274 CG ARG A 18 54.558 6.940 7.670 1.00 0.00 C ATOM 275 CD ARG A 18 53.217 7.213 8.354 1.00 0.00 C ATOM 276 NE ARG A 18 52.302 7.621 7.253 1.00 0.00 N ATOM 277 CZ ARG A 18 51.154 8.182 7.530 1.00 0.00 C ATOM 278 NH1 ARG A 18 50.871 8.526 8.756 1.00 0.00 N ATOM 279 NH2 ARG A 18 50.291 8.401 6.575 1.00 0.00 N ATOM 0 H ARG A 18 54.429 6.653 5.188 1.00 0.00 H new ATOM 0 HA ARG A 18 56.282 8.677 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 18 55.469 8.902 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.182 8.721 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.455 6.124 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.298 6.626 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.847 6.325 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.309 7.999 9.104 1.00 0.00 H new ATOM 0 HE ARG A 18 52.571 7.463 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.546 8.358 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.975 8.964 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.513 8.135 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.395 8.838 6.788 1.00 0.00 H new ATOM 293 N GLU A 19 57.455 6.434 7.292 1.00 0.00 N ATOM 294 CA GLU A 19 58.724 6.038 7.953 1.00 0.00 C ATOM 295 C GLU A 19 59.605 5.318 6.942 1.00 0.00 C ATOM 296 O GLU A 19 60.800 5.181 7.115 1.00 0.00 O ATOM 297 CB GLU A 19 58.305 5.105 9.091 1.00 0.00 C ATOM 298 CG GLU A 19 57.361 4.017 8.572 1.00 0.00 C ATOM 299 CD GLU A 19 57.296 2.873 9.585 1.00 0.00 C ATOM 300 OE1 GLU A 19 58.179 2.800 10.424 1.00 0.00 O ATOM 301 OE2 GLU A 19 56.364 2.089 9.506 1.00 0.00 O ATOM 0 H GLU A 19 56.661 5.822 7.483 1.00 0.00 H new ATOM 0 HA GLU A 19 59.295 6.885 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.188 4.647 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.812 5.678 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.366 4.431 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.712 3.645 7.609 1.00 0.00 H new ATOM 308 N ILE A 20 59.016 4.894 5.864 1.00 0.00 N ATOM 309 CA ILE A 20 59.792 4.219 4.797 1.00 0.00 C ATOM 310 C ILE A 20 60.370 5.300 3.891 1.00 0.00 C ATOM 311 O ILE A 20 61.553 5.348 3.620 1.00 0.00 O ATOM 312 CB ILE A 20 58.761 3.338 4.074 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.214 1.879 4.129 1.00 0.00 C ATOM 314 CG2 ILE A 20 58.592 3.762 2.612 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.398 1.133 5.187 1.00 0.00 C ATOM 0 H ILE A 20 58.018 4.988 5.676 1.00 0.00 H new ATOM 0 HA ILE A 20 60.627 3.613 5.150 1.00 0.00 H new ATOM 0 HB ILE A 20 57.801 3.455 4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.083 1.409 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.276 1.825 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 20 57.856 3.119 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.252 4.797 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.547 3.672 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.720 0.092 5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.552 1.599 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.340 1.176 4.928 1.00 0.00 H new ATOM 327 N ARG A 21 59.529 6.192 3.455 1.00 0.00 N ATOM 328 CA ARG A 21 60.007 7.303 2.600 1.00 0.00 C ATOM 329 C ARG A 21 60.951 8.152 3.436 1.00 0.00 C ATOM 330 O ARG A 21 61.894 8.735 2.944 1.00 0.00 O ATOM 331 CB ARG A 21 58.751 8.096 2.225 1.00 0.00 C ATOM 332 CG ARG A 21 58.028 8.556 3.495 1.00 0.00 C ATOM 333 CD ARG A 21 58.515 9.952 3.892 1.00 0.00 C ATOM 334 NE ARG A 21 57.279 10.778 3.988 1.00 0.00 N ATOM 335 CZ ARG A 21 56.971 11.608 3.030 1.00 0.00 C ATOM 336 NH1 ARG A 21 56.383 11.170 1.950 1.00 0.00 N ATOM 337 NH2 ARG A 21 57.254 12.877 3.149 1.00 0.00 N ATOM 0 H ARG A 21 58.529 6.197 3.656 1.00 0.00 H new ATOM 0 HA ARG A 21 60.536 6.973 1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.023 8.959 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.087 7.478 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 21 56.951 8.571 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.214 7.852 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.049 9.929 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.203 10.356 3.150 1.00 0.00 H new ATOM 0 HE ARG A 21 56.673 10.694 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 21 56.164 10.178 1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 21 56.142 11.819 1.201 1.00 0.00 H new ATOM 0 HH21 ARG A 21 57.716 13.220 3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 21 57.013 13.526 2.400 1.00 0.00 H new ATOM 351 N LYS A 22 60.687 8.204 4.712 1.00 0.00 N ATOM 352 CA LYS A 22 61.534 8.993 5.641 1.00 0.00 C ATOM 353 C LYS A 22 62.969 8.449 5.673 1.00 0.00 C ATOM 354 O LYS A 22 63.917 9.171 5.435 1.00 0.00 O ATOM 355 CB LYS A 22 60.870 8.818 7.009 1.00 0.00 C ATOM 356 CG LYS A 22 61.839 9.276 8.105 1.00 0.00 C ATOM 357 CD LYS A 22 62.485 10.610 7.707 1.00 0.00 C ATOM 358 CE LYS A 22 61.442 11.725 7.802 1.00 0.00 C ATOM 359 NZ LYS A 22 62.213 12.943 8.176 1.00 0.00 N ATOM 0 H LYS A 22 59.904 7.723 5.155 1.00 0.00 H new ATOM 0 HA LYS A 22 61.607 10.038 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.949 9.399 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.597 7.774 7.162 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.307 9.387 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.610 8.521 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.328 10.829 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.877 10.549 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.923 11.862 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.683 11.493 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.565 13.752 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.691 12.786 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.923 13.143 7.443 1.00 0.00 H new ATOM 373 N ALA A 23 63.139 7.188 5.964 1.00 0.00 N ATOM 374 CA ALA A 23 64.517 6.611 6.008 1.00 0.00 C ATOM 375 C ALA A 23 65.279 6.995 4.742 1.00 0.00 C ATOM 376 O ALA A 23 66.396 7.471 4.793 1.00 0.00 O ATOM 377 CB ALA A 23 64.314 5.100 6.076 1.00 0.00 C ATOM 0 H ALA A 23 62.386 6.532 6.173 1.00 0.00 H new ATOM 0 HA ALA A 23 65.096 6.978 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 23 65.284 4.604 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.745 4.849 6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.767 4.766 5.194 1.00 0.00 H new ATOM 383 N TYR A 24 64.665 6.822 3.608 1.00 0.00 N ATOM 384 CA TYR A 24 65.327 7.208 2.336 1.00 0.00 C ATOM 385 C TYR A 24 65.458 8.720 2.331 1.00 0.00 C ATOM 386 O TYR A 24 66.249 9.300 1.627 1.00 0.00 O ATOM 387 CB TYR A 24 64.370 6.745 1.240 1.00 0.00 C ATOM 388 CG TYR A 24 65.076 6.794 -0.095 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.404 6.362 -0.206 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.403 7.283 -1.221 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.057 6.419 -1.443 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.055 7.340 -2.458 1.00 0.00 C ATOM 393 CZ TYR A 24 66.383 6.907 -2.570 1.00 0.00 C ATOM 394 OH TYR A 24 67.027 6.966 -3.788 1.00 0.00 O ATOM 0 H TYR A 24 63.729 6.428 3.508 1.00 0.00 H new ATOM 0 HA TYR A 24 66.317 6.773 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.027 5.731 1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.486 7.383 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 24 66.924 5.985 0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.379 7.617 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.081 6.087 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 24 64.535 7.718 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 24 66.416 7.328 -4.464 1.00 0.00 H new ATOM 404 N LYS A 25 64.668 9.358 3.132 1.00 0.00 N ATOM 405 CA LYS A 25 64.707 10.827 3.227 1.00 0.00 C ATOM 406 C LYS A 25 65.806 11.255 4.195 1.00 0.00 C ATOM 407 O LYS A 25 66.516 12.211 3.961 1.00 0.00 O ATOM 408 CB LYS A 25 63.338 11.169 3.788 1.00 0.00 C ATOM 409 CG LYS A 25 62.565 12.013 2.781 1.00 0.00 C ATOM 410 CD LYS A 25 61.554 11.119 2.067 1.00 0.00 C ATOM 411 CE LYS A 25 60.662 11.974 1.166 1.00 0.00 C ATOM 412 NZ LYS A 25 61.067 11.616 -0.223 1.00 0.00 N ATOM 0 H LYS A 25 63.981 8.910 3.738 1.00 0.00 H new ATOM 0 HA LYS A 25 64.917 11.323 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 25 62.787 10.255 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.445 11.713 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 62.054 12.832 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.249 12.461 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.074 10.367 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 25 60.946 10.585 2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 25 59.607 11.761 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 25 60.808 13.037 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 60.499 12.162 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 62.074 11.836 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 60.910 10.600 -0.379 1.00 0.00 H new ATOM 426 N ARG A 26 65.947 10.555 5.284 1.00 0.00 N ATOM 427 CA ARG A 26 66.996 10.921 6.270 1.00 0.00 C ATOM 428 C ARG A 26 68.327 10.249 5.913 1.00 0.00 C ATOM 429 O ARG A 26 69.385 10.832 6.059 1.00 0.00 O ATOM 430 CB ARG A 26 66.476 10.409 7.610 1.00 0.00 C ATOM 431 CG ARG A 26 65.885 11.582 8.391 1.00 0.00 C ATOM 432 CD ARG A 26 65.821 11.231 9.876 1.00 0.00 C ATOM 433 NE ARG A 26 67.230 11.316 10.354 1.00 0.00 N ATOM 434 CZ ARG A 26 67.515 11.026 11.594 1.00 0.00 C ATOM 435 NH1 ARG A 26 67.368 9.806 12.030 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.951 11.957 12.398 1.00 0.00 N ATOM 0 H ARG A 26 65.380 9.745 5.533 1.00 0.00 H new ATOM 0 HA ARG A 26 67.184 11.994 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.719 9.641 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.285 9.948 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.495 12.473 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.887 11.813 8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.178 11.924 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.412 10.232 10.028 1.00 0.00 H new ATOM 0 HE ARG A 26 67.971 11.600 9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 26 67.030 9.077 11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 26 67.591 9.581 12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 26 68.069 12.911 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 26 68.174 11.731 13.367 1.00 0.00 H new ATOM 450 N LEU A 27 68.286 9.026 5.454 1.00 0.00 N ATOM 451 CA LEU A 27 69.546 8.317 5.099 1.00 0.00 C ATOM 452 C LEU A 27 70.053 8.750 3.722 1.00 0.00 C ATOM 453 O LEU A 27 71.242 8.771 3.471 1.00 0.00 O ATOM 454 CB LEU A 27 69.183 6.822 5.114 1.00 0.00 C ATOM 455 CG LEU A 27 68.709 6.366 3.731 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.902 5.834 2.935 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.668 5.255 3.888 1.00 0.00 C ATOM 0 H LEU A 27 67.431 8.488 5.310 1.00 0.00 H new ATOM 0 HA LEU A 27 70.351 8.545 5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.050 6.235 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 27 68.400 6.640 5.850 1.00 0.00 H new ATOM 0 HG LEU A 27 68.264 7.210 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.566 5.509 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.646 6.623 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.345 4.990 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.331 4.931 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.113 4.411 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.818 5.631 4.457 1.00 0.00 H new ATOM 469 N ALA A 28 69.169 9.067 2.817 1.00 0.00 N ATOM 470 CA ALA A 28 69.630 9.458 1.464 1.00 0.00 C ATOM 471 C ALA A 28 69.951 10.944 1.428 1.00 0.00 C ATOM 472 O ALA A 28 70.870 11.364 0.754 1.00 0.00 O ATOM 473 CB ALA A 28 68.482 9.100 0.527 1.00 0.00 C ATOM 0 H ALA A 28 68.159 9.071 2.957 1.00 0.00 H new ATOM 0 HA ALA A 28 70.545 8.945 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.752 9.362 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.283 8.030 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.588 9.652 0.819 1.00 0.00 H new ATOM 479 N MET A 29 69.245 11.748 2.168 1.00 0.00 N ATOM 480 CA MET A 29 69.593 13.188 2.165 1.00 0.00 C ATOM 481 C MET A 29 71.064 13.302 2.541 1.00 0.00 C ATOM 482 O MET A 29 71.753 14.221 2.149 1.00 0.00 O ATOM 483 CB MET A 29 68.694 13.848 3.214 1.00 0.00 C ATOM 484 CG MET A 29 69.019 13.293 4.602 1.00 0.00 C ATOM 485 SD MET A 29 69.790 14.588 5.603 1.00 0.00 S ATOM 486 CE MET A 29 68.363 15.697 5.673 1.00 0.00 C ATOM 0 H MET A 29 68.460 11.478 2.761 1.00 0.00 H new ATOM 0 HA MET A 29 69.444 13.670 1.199 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.839 14.928 3.202 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.646 13.664 2.975 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.109 12.938 5.086 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.689 12.438 4.516 1.00 0.00 H new ATOM 0 HE1 MET A 29 68.315 16.167 6.655 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.462 16.466 4.907 1.00 0.00 H new ATOM 0 HE3 MET A 29 67.450 15.127 5.499 1.00 0.00 H new ATOM 496 N LYS A 30 71.556 12.342 3.280 1.00 0.00 N ATOM 497 CA LYS A 30 72.994 12.353 3.658 1.00 0.00 C ATOM 498 C LYS A 30 73.790 11.597 2.592 1.00 0.00 C ATOM 499 O LYS A 30 74.987 11.758 2.450 1.00 0.00 O ATOM 500 CB LYS A 30 73.065 11.632 5.005 1.00 0.00 C ATOM 501 CG LYS A 30 72.772 12.626 6.132 1.00 0.00 C ATOM 502 CD LYS A 30 71.927 11.945 7.211 1.00 0.00 C ATOM 503 CE LYS A 30 72.822 11.545 8.387 1.00 0.00 C ATOM 504 NZ LYS A 30 73.597 10.372 7.896 1.00 0.00 N ATOM 0 H LYS A 30 71.020 11.551 3.637 1.00 0.00 H new ATOM 0 HA LYS A 30 73.408 13.359 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.345 10.814 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 30 74.052 11.191 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.705 12.989 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.244 13.494 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.141 12.619 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.434 11.064 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.483 12.362 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 30 72.229 11.288 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.939 9.818 8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 72.986 9.776 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 74.408 10.702 7.335 1.00 0.00 H new ATOM 518 N TYR A 31 73.113 10.765 1.844 1.00 0.00 N ATOM 519 CA TYR A 31 73.791 9.970 0.777 1.00 0.00 C ATOM 520 C TYR A 31 73.387 10.483 -0.600 1.00 0.00 C ATOM 521 O TYR A 31 73.548 9.816 -1.600 1.00 0.00 O ATOM 522 CB TYR A 31 73.287 8.546 0.973 1.00 0.00 C ATOM 523 CG TYR A 31 74.362 7.703 1.613 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.354 8.303 2.398 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.362 6.318 1.421 1.00 0.00 C ATOM 526 CE1 TYR A 31 76.347 7.516 2.990 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.353 5.531 2.012 1.00 0.00 C ATOM 528 CZ TYR A 31 76.348 6.127 2.797 1.00 0.00 C ATOM 529 OH TYR A 31 77.328 5.349 3.381 1.00 0.00 O ATOM 0 H TYR A 31 72.110 10.601 1.928 1.00 0.00 H new ATOM 0 HA TYR A 31 74.877 10.038 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.395 8.550 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.000 8.117 0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 31 75.352 9.373 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.596 5.857 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 31 77.113 7.978 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.352 4.461 1.863 1.00 0.00 H new ATOM 0 HH TYR A 31 77.181 4.409 3.148 1.00 0.00 H new ATOM 539 N HIS A 32 72.866 11.664 -0.636 1.00 0.00 N ATOM 540 CA HIS A 32 72.437 12.288 -1.915 1.00 0.00 C ATOM 541 C HIS A 32 73.610 12.327 -2.904 1.00 0.00 C ATOM 542 O HIS A 32 74.473 11.479 -2.830 1.00 0.00 O ATOM 543 CB HIS A 32 71.968 13.651 -1.428 1.00 0.00 C ATOM 544 CG HIS A 32 73.158 14.441 -0.942 1.00 0.00 C ATOM 545 ND1 HIS A 32 73.324 14.758 0.397 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.255 14.964 -1.586 1.00 0.00 C ATOM 547 CE1 HIS A 32 74.474 15.445 0.514 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.082 15.598 -0.665 1.00 0.00 N ATOM 0 H HIS A 32 72.713 12.244 0.189 1.00 0.00 H new ATOM 0 HA HIS A 32 71.661 11.765 -2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 32 71.466 14.186 -2.235 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.242 13.533 -0.624 1.00 0.00 H new ATOM 0 HD1 HIS A 32 72.688 14.514 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.445 14.893 -2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 32 74.859 15.827 1.448 1.00 0.00 H new ATOM 556 N PRO A 33 73.635 13.264 -3.825 1.00 0.00 N ATOM 557 CA PRO A 33 74.751 13.281 -4.799 1.00 0.00 C ATOM 558 C PRO A 33 76.070 13.630 -4.104 1.00 0.00 C ATOM 559 O PRO A 33 76.806 14.500 -4.525 1.00 0.00 O ATOM 560 CB PRO A 33 74.330 14.328 -5.824 1.00 0.00 C ATOM 561 CG PRO A 33 73.369 15.207 -5.102 1.00 0.00 C ATOM 562 CD PRO A 33 72.694 14.368 -4.059 1.00 0.00 C ATOM 0 HA PRO A 33 74.931 12.314 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 33 75.188 14.894 -6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 33 73.865 13.864 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 33 73.888 16.048 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 33 72.636 15.624 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 33 72.511 14.936 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 33 71.728 14.002 -4.406 1.00 0.00 H new ATOM 570 N ASP A 34 76.377 12.913 -3.056 1.00 0.00 N ATOM 571 CA ASP A 34 77.651 13.129 -2.322 1.00 0.00 C ATOM 572 C ASP A 34 78.564 11.954 -2.648 1.00 0.00 C ATOM 573 O ASP A 34 79.751 12.098 -2.866 1.00 0.00 O ATOM 574 CB ASP A 34 77.265 13.115 -0.838 1.00 0.00 C ATOM 575 CG ASP A 34 76.895 11.692 -0.414 1.00 0.00 C ATOM 576 OD1 ASP A 34 75.836 11.235 -0.808 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.678 11.086 0.298 1.00 0.00 O ATOM 0 H ASP A 34 75.786 12.175 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 34 78.161 14.056 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.095 13.481 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.424 13.787 -0.665 1.00 0.00 H new ATOM 582 N ARG A 35 77.987 10.785 -2.695 1.00 0.00 N ATOM 583 CA ARG A 35 78.758 9.566 -3.020 1.00 0.00 C ATOM 584 C ARG A 35 77.901 8.644 -3.895 1.00 0.00 C ATOM 585 O ARG A 35 78.414 7.874 -4.680 1.00 0.00 O ATOM 586 CB ARG A 35 79.040 8.913 -1.670 1.00 0.00 C ATOM 587 CG ARG A 35 77.711 8.606 -0.982 1.00 0.00 C ATOM 588 CD ARG A 35 77.132 7.320 -1.561 1.00 0.00 C ATOM 589 NE ARG A 35 77.153 6.345 -0.439 1.00 0.00 N ATOM 590 CZ ARG A 35 78.294 5.887 -0.001 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.908 4.938 -0.653 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.822 6.378 1.087 1.00 0.00 N ATOM 0 H ARG A 35 76.995 10.627 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 35 79.677 9.776 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 35 79.614 7.997 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 35 79.642 9.576 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 35 77.860 8.500 0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.013 9.431 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.118 7.475 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 35 77.726 6.965 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 35 76.279 6.035 -0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 35 78.496 4.555 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.800 4.579 -0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.343 7.121 1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.714 6.019 1.428 1.00 0.00 H new ATOM 606 N ASN A 36 76.593 8.705 -3.764 1.00 0.00 N ATOM 607 CA ASN A 36 75.728 7.822 -4.589 1.00 0.00 C ATOM 608 C ASN A 36 76.219 7.819 -6.035 1.00 0.00 C ATOM 609 O ASN A 36 76.003 6.880 -6.776 1.00 0.00 O ATOM 610 CB ASN A 36 74.340 8.447 -4.500 1.00 0.00 C ATOM 611 CG ASN A 36 73.438 7.561 -3.640 1.00 0.00 C ATOM 612 OD1 ASN A 36 72.549 6.906 -4.149 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.629 7.509 -2.351 1.00 0.00 N ATOM 0 H ASN A 36 76.098 9.326 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 36 75.735 6.788 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 36 74.406 9.446 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 36 73.915 8.558 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.033 6.919 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 36 74.375 8.058 -1.923 1.00 0.00 H new ATOM 620 N GLN A 37 76.871 8.871 -6.442 1.00 0.00 N ATOM 621 CA GLN A 37 77.369 8.939 -7.842 1.00 0.00 C ATOM 622 C GLN A 37 78.765 8.313 -7.948 1.00 0.00 C ATOM 623 O GLN A 37 79.447 8.467 -8.942 1.00 0.00 O ATOM 624 CB GLN A 37 77.428 10.435 -8.187 1.00 0.00 C ATOM 625 CG GLN A 37 76.273 11.179 -7.506 1.00 0.00 C ATOM 626 CD GLN A 37 75.765 12.290 -8.428 1.00 0.00 C ATOM 627 OE1 GLN A 37 74.736 12.149 -9.060 1.00 0.00 O ATOM 628 NE2 GLN A 37 76.447 13.398 -8.530 1.00 0.00 N ATOM 0 H GLN A 37 77.080 9.686 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 37 76.721 8.390 -8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 37 78.381 10.853 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 37 77.371 10.570 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 37 75.465 10.485 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 37 76.608 11.603 -6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 37 77.310 13.516 -8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 37 76.117 14.146 -9.140 1.00 0.00 H new ATOM 637 N GLY A 38 79.202 7.616 -6.935 1.00 0.00 N ATOM 638 CA GLY A 38 80.557 6.995 -6.993 1.00 0.00 C ATOM 639 C GLY A 38 80.527 5.608 -6.346 1.00 0.00 C ATOM 640 O GLY A 38 81.465 5.197 -5.693 1.00 0.00 O ATOM 0 H GLY A 38 78.683 7.450 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 80.885 6.915 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 38 81.279 7.629 -6.479 1.00 0.00 H new ATOM 644 N ASP A 39 79.457 4.884 -6.524 1.00 0.00 N ATOM 645 CA ASP A 39 79.366 3.520 -5.917 1.00 0.00 C ATOM 646 C ASP A 39 78.943 2.498 -6.974 1.00 0.00 C ATOM 647 O ASP A 39 77.797 2.437 -7.372 1.00 0.00 O ATOM 648 CB ASP A 39 78.301 3.625 -4.824 1.00 0.00 C ATOM 649 CG ASP A 39 77.178 4.548 -5.292 1.00 0.00 C ATOM 650 OD1 ASP A 39 76.271 4.064 -5.947 1.00 0.00 O ATOM 651 OD2 ASP A 39 77.251 5.725 -4.993 1.00 0.00 O ATOM 0 H ASP A 39 78.641 5.175 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 39 80.325 3.191 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.902 2.637 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 39 78.744 4.011 -3.906 1.00 0.00 H new ATOM 656 N LYS A 40 79.864 1.700 -7.429 1.00 0.00 N ATOM 657 CA LYS A 40 79.535 0.678 -8.462 1.00 0.00 C ATOM 658 C LYS A 40 79.064 -0.619 -7.807 1.00 0.00 C ATOM 659 O LYS A 40 79.488 -1.700 -8.166 1.00 0.00 O ATOM 660 CB LYS A 40 80.845 0.452 -9.192 1.00 0.00 C ATOM 661 CG LYS A 40 80.679 0.799 -10.671 1.00 0.00 C ATOM 662 CD LYS A 40 79.493 0.023 -11.247 1.00 0.00 C ATOM 663 CE LYS A 40 79.760 -0.298 -12.720 1.00 0.00 C ATOM 664 NZ LYS A 40 80.319 -1.679 -12.716 1.00 0.00 N ATOM 0 H LYS A 40 80.839 1.710 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 40 78.732 1.001 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.629 1.067 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 81.157 -0.587 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.518 1.871 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.589 0.552 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 40 79.340 -0.898 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 40 78.580 0.610 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 40 78.844 -0.244 -13.308 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.462 0.411 -13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 80.528 -1.972 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.194 -1.698 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 79.626 -2.333 -12.300 1.00 0.00 H new ATOM 678 N GLU A 41 78.200 -0.518 -6.847 1.00 0.00 N ATOM 679 CA GLU A 41 77.701 -1.736 -6.149 1.00 0.00 C ATOM 680 C GLU A 41 76.799 -1.300 -5.004 1.00 0.00 C ATOM 681 O GLU A 41 75.788 -1.910 -4.719 1.00 0.00 O ATOM 682 CB GLU A 41 78.950 -2.455 -5.622 1.00 0.00 C ATOM 683 CG GLU A 41 80.006 -1.429 -5.196 1.00 0.00 C ATOM 684 CD GLU A 41 81.011 -2.092 -4.251 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.955 -2.687 -4.746 1.00 0.00 O ATOM 686 OE2 GLU A 41 80.819 -1.994 -3.050 1.00 0.00 O ATOM 0 H GLU A 41 77.811 0.362 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 41 77.125 -2.394 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.685 -3.089 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 41 79.357 -3.108 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.520 -1.035 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.528 -0.584 -4.701 1.00 0.00 H new ATOM 693 N ALA A 42 77.141 -0.214 -4.375 1.00 0.00 N ATOM 694 CA ALA A 42 76.290 0.305 -3.279 1.00 0.00 C ATOM 695 C ALA A 42 75.191 1.154 -3.907 1.00 0.00 C ATOM 696 O ALA A 42 74.179 1.436 -3.296 1.00 0.00 O ATOM 697 CB ALA A 42 77.218 1.160 -2.415 1.00 0.00 C ATOM 0 H ALA A 42 77.976 0.337 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 42 75.821 -0.476 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.655 1.579 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.030 0.542 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.632 1.970 -3.016 1.00 0.00 H new ATOM 703 N GLU A 43 75.382 1.550 -5.140 1.00 0.00 N ATOM 704 CA GLU A 43 74.336 2.369 -5.818 1.00 0.00 C ATOM 705 C GLU A 43 72.976 1.740 -5.627 1.00 0.00 C ATOM 706 O GLU A 43 71.977 2.413 -5.473 1.00 0.00 O ATOM 707 CB GLU A 43 74.657 2.303 -7.302 1.00 0.00 C ATOM 708 CG GLU A 43 73.760 3.288 -8.055 1.00 0.00 C ATOM 709 CD GLU A 43 74.555 3.950 -9.180 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.727 4.219 -8.971 1.00 0.00 O ATOM 711 OE2 GLU A 43 73.980 4.177 -10.231 1.00 0.00 O ATOM 0 H GLU A 43 76.209 1.344 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 43 74.324 3.384 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.706 2.546 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.500 1.291 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 43 72.895 2.767 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.380 4.046 -7.370 1.00 0.00 H new ATOM 718 N ALA A 44 72.921 0.447 -5.698 1.00 0.00 N ATOM 719 CA ALA A 44 71.616 -0.219 -5.587 1.00 0.00 C ATOM 720 C ALA A 44 70.996 0.013 -4.215 1.00 0.00 C ATOM 721 O ALA A 44 69.952 0.617 -4.106 1.00 0.00 O ATOM 722 CB ALA A 44 71.888 -1.703 -5.828 1.00 0.00 C ATOM 0 H ALA A 44 73.722 -0.171 -5.828 1.00 0.00 H new ATOM 0 HA ALA A 44 70.902 0.177 -6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.954 -2.260 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.319 -1.838 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 72.586 -2.072 -5.077 1.00 0.00 H new ATOM 728 N LYS A 45 71.612 -0.458 -3.168 1.00 0.00 N ATOM 729 CA LYS A 45 71.011 -0.240 -1.824 1.00 0.00 C ATOM 730 C LYS A 45 70.523 1.203 -1.709 1.00 0.00 C ATOM 731 O LYS A 45 69.611 1.499 -0.971 1.00 0.00 O ATOM 732 CB LYS A 45 72.119 -0.505 -0.809 1.00 0.00 C ATOM 733 CG LYS A 45 71.628 -0.057 0.570 1.00 0.00 C ATOM 734 CD LYS A 45 72.599 -0.546 1.647 1.00 0.00 C ATOM 735 CE LYS A 45 73.711 0.488 1.843 1.00 0.00 C ATOM 736 NZ LYS A 45 73.772 0.714 3.314 1.00 0.00 N ATOM 0 H LYS A 45 72.491 -0.976 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 45 70.158 -0.897 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.375 -1.564 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.023 0.038 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.550 1.030 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.631 -0.454 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.067 -0.705 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.027 -1.505 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 74.663 0.121 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.489 1.413 1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.513 1.412 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.854 1.070 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.992 -0.182 3.794 1.00 0.00 H new ATOM 750 N PHE A 46 71.124 2.100 -2.446 1.00 0.00 N ATOM 751 CA PHE A 46 70.691 3.526 -2.385 1.00 0.00 C ATOM 752 C PHE A 46 69.341 3.697 -3.075 1.00 0.00 C ATOM 753 O PHE A 46 68.426 4.278 -2.525 1.00 0.00 O ATOM 754 CB PHE A 46 71.772 4.316 -3.126 1.00 0.00 C ATOM 755 CG PHE A 46 73.127 4.039 -2.517 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.232 3.325 -1.315 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.280 4.505 -3.157 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.491 3.079 -0.756 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.540 4.256 -2.597 1.00 0.00 C ATOM 760 CZ PHE A 46 75.645 3.544 -1.397 1.00 0.00 C ATOM 0 H PHE A 46 71.894 1.907 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 46 70.573 3.871 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.776 4.041 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.553 5.383 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.342 2.965 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.199 5.056 -4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.572 2.530 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.431 4.614 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.616 3.353 -0.965 1.00 0.00 H new ATOM 770 N LYS A 47 69.190 3.188 -4.267 1.00 0.00 N ATOM 771 CA LYS A 47 67.872 3.329 -4.943 1.00 0.00 C ATOM 772 C LYS A 47 66.995 2.159 -4.506 1.00 0.00 C ATOM 773 O LYS A 47 65.783 2.240 -4.480 1.00 0.00 O ATOM 774 CB LYS A 47 68.183 3.323 -6.450 1.00 0.00 C ATOM 775 CG LYS A 47 67.770 1.997 -7.092 1.00 0.00 C ATOM 776 CD LYS A 47 68.719 0.892 -6.637 1.00 0.00 C ATOM 777 CE LYS A 47 69.244 0.147 -7.868 1.00 0.00 C ATOM 778 NZ LYS A 47 70.179 1.102 -8.524 1.00 0.00 N ATOM 0 H LYS A 47 69.908 2.690 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 47 67.331 4.241 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.658 4.145 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.249 3.489 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.746 1.749 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.792 2.085 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.549 1.317 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.201 0.201 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 47 69.754 -0.774 -7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.430 -0.132 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 71.094 0.635 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 69.779 1.410 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 70.318 1.929 -7.909 1.00 0.00 H new ATOM 792 N GLU A 48 67.620 1.085 -4.117 1.00 0.00 N ATOM 793 CA GLU A 48 66.863 -0.089 -3.626 1.00 0.00 C ATOM 794 C GLU A 48 65.875 0.427 -2.606 1.00 0.00 C ATOM 795 O GLU A 48 64.738 0.007 -2.526 1.00 0.00 O ATOM 796 CB GLU A 48 67.913 -0.964 -2.951 1.00 0.00 C ATOM 797 CG GLU A 48 68.638 -1.798 -4.005 1.00 0.00 C ATOM 798 CD GLU A 48 67.690 -2.866 -4.553 1.00 0.00 C ATOM 799 OE1 GLU A 48 66.948 -3.431 -3.767 1.00 0.00 O ATOM 800 OE2 GLU A 48 67.722 -3.100 -5.750 1.00 0.00 O ATOM 0 H GLU A 48 68.634 0.973 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 48 66.326 -0.640 -4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.627 -0.342 -2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.440 -1.617 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.987 -1.157 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.519 -2.268 -3.569 1.00 0.00 H new ATOM 807 N ILE A 49 66.320 1.381 -1.848 1.00 0.00 N ATOM 808 CA ILE A 49 65.438 2.005 -0.838 1.00 0.00 C ATOM 809 C ILE A 49 64.260 2.622 -1.568 1.00 0.00 C ATOM 810 O ILE A 49 63.113 2.445 -1.210 1.00 0.00 O ATOM 811 CB ILE A 49 66.292 3.090 -0.204 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.488 2.444 0.488 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.464 3.867 0.812 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.686 3.394 0.454 1.00 0.00 C ATOM 0 H ILE A 49 67.267 1.758 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 49 65.057 1.307 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 49 66.644 3.777 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.235 2.202 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.742 1.506 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.080 4.644 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.611 4.325 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.109 3.188 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.536 2.926 0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.946 3.614 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.431 4.320 0.969 1.00 0.00 H new ATOM 826 N LYS A 50 64.557 3.329 -2.619 1.00 0.00 N ATOM 827 CA LYS A 50 63.481 3.956 -3.430 1.00 0.00 C ATOM 828 C LYS A 50 62.666 2.850 -4.093 1.00 0.00 C ATOM 829 O LYS A 50 61.460 2.935 -4.217 1.00 0.00 O ATOM 830 CB LYS A 50 64.212 4.799 -4.475 1.00 0.00 C ATOM 831 CG LYS A 50 63.204 5.674 -5.222 1.00 0.00 C ATOM 832 CD LYS A 50 62.641 4.900 -6.414 1.00 0.00 C ATOM 833 CE LYS A 50 61.122 4.780 -6.272 1.00 0.00 C ATOM 834 NZ LYS A 50 60.573 5.357 -7.530 1.00 0.00 N ATOM 0 H LYS A 50 65.505 3.501 -2.953 1.00 0.00 H new ATOM 0 HA LYS A 50 62.796 4.567 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.964 5.423 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.738 4.152 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.396 5.969 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.685 6.590 -5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 50 62.891 5.411 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.092 3.909 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 50 60.818 3.741 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 50 60.763 5.324 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 59.534 5.311 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 60.874 6.349 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 60.927 4.815 -8.344 1.00 0.00 H new ATOM 848 N GLU A 51 63.321 1.796 -4.499 1.00 0.00 N ATOM 849 CA GLU A 51 62.592 0.663 -5.128 1.00 0.00 C ATOM 850 C GLU A 51 61.581 0.112 -4.126 1.00 0.00 C ATOM 851 O GLU A 51 60.455 -0.193 -4.465 1.00 0.00 O ATOM 852 CB GLU A 51 63.671 -0.373 -5.442 1.00 0.00 C ATOM 853 CG GLU A 51 63.105 -1.434 -6.390 1.00 0.00 C ATOM 854 CD GLU A 51 62.989 -0.852 -7.802 1.00 0.00 C ATOM 855 OE1 GLU A 51 63.568 0.196 -8.039 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.324 -1.465 -8.620 1.00 0.00 O ATOM 0 H GLU A 51 64.331 1.673 -4.421 1.00 0.00 H new ATOM 0 HA GLU A 51 62.044 0.947 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.534 0.113 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.018 -0.842 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 51 63.753 -2.311 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 51 62.127 -1.764 -6.040 1.00 0.00 H new ATOM 863 N ALA A 52 61.975 0.008 -2.883 1.00 0.00 N ATOM 864 CA ALA A 52 61.038 -0.493 -1.839 1.00 0.00 C ATOM 865 C ALA A 52 59.666 0.142 -2.056 1.00 0.00 C ATOM 866 O ALA A 52 58.642 -0.435 -1.755 1.00 0.00 O ATOM 867 CB ALA A 52 61.654 -0.023 -0.521 1.00 0.00 C ATOM 0 H ALA A 52 62.907 0.249 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 52 60.902 -1.574 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.028 -0.348 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.651 -0.450 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.723 1.065 -0.519 1.00 0.00 H new ATOM 873 N TYR A 53 59.648 1.330 -2.592 1.00 0.00 N ATOM 874 CA TYR A 53 58.355 2.019 -2.848 1.00 0.00 C ATOM 875 C TYR A 53 57.521 1.213 -3.835 1.00 0.00 C ATOM 876 O TYR A 53 56.341 0.999 -3.639 1.00 0.00 O ATOM 877 CB TYR A 53 58.750 3.375 -3.435 1.00 0.00 C ATOM 878 CG TYR A 53 59.589 4.137 -2.433 1.00 0.00 C ATOM 879 CD1 TYR A 53 59.805 3.617 -1.148 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.153 5.365 -2.789 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.581 4.321 -0.228 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.931 6.071 -1.865 1.00 0.00 C ATOM 883 CZ TYR A 53 61.144 5.550 -0.584 1.00 0.00 C ATOM 884 OH TYR A 53 61.912 6.248 0.325 1.00 0.00 O ATOM 0 H TYR A 53 60.479 1.855 -2.865 1.00 0.00 H new ATOM 0 HA TYR A 53 57.749 2.130 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.309 3.233 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.857 3.947 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.369 2.669 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.988 5.769 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 53 60.747 3.917 0.760 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.368 7.019 -2.141 1.00 0.00 H new ATOM 0 HH TYR A 53 61.819 7.210 0.162 1.00 0.00 H new ATOM 894 N GLU A 54 58.127 0.731 -4.878 1.00 0.00 N ATOM 895 CA GLU A 54 57.354 -0.089 -5.852 1.00 0.00 C ATOM 896 C GLU A 54 56.698 -1.225 -5.090 1.00 0.00 C ATOM 897 O GLU A 54 55.747 -1.832 -5.542 1.00 0.00 O ATOM 898 CB GLU A 54 58.369 -0.646 -6.855 1.00 0.00 C ATOM 899 CG GLU A 54 59.395 0.427 -7.201 1.00 0.00 C ATOM 900 CD GLU A 54 59.542 0.532 -8.720 1.00 0.00 C ATOM 901 OE1 GLU A 54 59.042 -0.343 -9.407 1.00 0.00 O ATOM 902 OE2 GLU A 54 60.152 1.488 -9.170 1.00 0.00 O ATOM 0 H GLU A 54 59.113 0.865 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 54 56.585 0.488 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.869 -1.518 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.857 -0.977 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 54 59.084 1.387 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 60.357 0.183 -6.749 1.00 0.00 H new ATOM 909 N VAL A 55 57.215 -1.524 -3.931 1.00 0.00 N ATOM 910 CA VAL A 55 56.639 -2.626 -3.141 1.00 0.00 C ATOM 911 C VAL A 55 55.624 -2.096 -2.113 1.00 0.00 C ATOM 912 O VAL A 55 54.491 -2.529 -2.063 1.00 0.00 O ATOM 913 CB VAL A 55 57.854 -3.301 -2.468 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.815 -3.150 -0.941 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.846 -4.788 -2.811 1.00 0.00 C ATOM 0 H VAL A 55 58.010 -1.049 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 55 56.080 -3.333 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 55 58.757 -2.816 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.687 -3.638 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.823 -2.092 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.908 -3.613 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.700 -5.275 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.924 -5.241 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.908 -4.912 -3.892 1.00 0.00 H new ATOM 925 N LEU A 56 56.036 -1.193 -1.270 1.00 0.00 N ATOM 926 CA LEU A 56 55.108 -0.681 -0.217 1.00 0.00 C ATOM 927 C LEU A 56 54.254 0.501 -0.697 1.00 0.00 C ATOM 928 O LEU A 56 53.191 0.746 -0.163 1.00 0.00 O ATOM 929 CB LEU A 56 56.026 -0.233 0.904 1.00 0.00 C ATOM 930 CG LEU A 56 56.789 0.996 0.434 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.139 2.244 1.029 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.244 0.886 0.891 1.00 0.00 C ATOM 0 H LEU A 56 56.971 -0.786 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 56 54.395 -1.450 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.448 -0.002 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.719 -1.032 1.170 1.00 0.00 H new ATOM 0 HG LEU A 56 56.762 1.065 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.680 3.130 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.102 2.307 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.170 2.187 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.797 1.764 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.280 0.826 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.693 -0.010 0.463 1.00 0.00 H new ATOM 944 N THR A 57 54.680 1.245 -1.682 1.00 0.00 N ATOM 945 CA THR A 57 53.832 2.392 -2.129 1.00 0.00 C ATOM 946 C THR A 57 52.846 1.916 -3.200 1.00 0.00 C ATOM 947 O THR A 57 52.510 2.633 -4.122 1.00 0.00 O ATOM 948 CB THR A 57 54.792 3.452 -2.684 1.00 0.00 C ATOM 949 OG1 THR A 57 55.322 3.021 -3.928 1.00 0.00 O ATOM 950 CG2 THR A 57 55.930 3.687 -1.684 1.00 0.00 C ATOM 0 H THR A 57 55.556 1.115 -2.187 1.00 0.00 H new ATOM 0 HA THR A 57 53.243 2.807 -1.311 1.00 0.00 H new ATOM 0 HB THR A 57 54.249 4.385 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.367 2.042 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.612 4.440 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.516 4.033 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.472 2.755 -1.524 1.00 0.00 H new ATOM 958 N ASP A 58 52.372 0.707 -3.062 1.00 0.00 N ATOM 959 CA ASP A 58 51.393 0.150 -4.032 1.00 0.00 C ATOM 960 C ASP A 58 50.505 -0.842 -3.315 1.00 0.00 C ATOM 961 O ASP A 58 50.961 -1.814 -2.745 1.00 0.00 O ATOM 962 CB ASP A 58 52.226 -0.532 -5.114 1.00 0.00 C ATOM 963 CG ASP A 58 51.947 0.127 -6.466 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.786 0.217 -6.830 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.898 0.531 -7.115 1.00 0.00 O ATOM 0 H ASP A 58 52.628 0.074 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 58 50.747 0.912 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.286 -0.456 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.984 -1.594 -5.159 1.00 0.00 H new ATOM 970 N SER A 59 49.237 -0.582 -3.317 1.00 0.00 N ATOM 971 CA SER A 59 48.298 -1.474 -2.609 1.00 0.00 C ATOM 972 C SER A 59 48.637 -2.950 -2.847 1.00 0.00 C ATOM 973 O SER A 59 48.273 -3.810 -2.068 1.00 0.00 O ATOM 974 CB SER A 59 46.921 -1.136 -3.176 1.00 0.00 C ATOM 975 OG SER A 59 45.932 -1.875 -2.473 1.00 0.00 O ATOM 0 H SER A 59 48.808 0.217 -3.783 1.00 0.00 H new ATOM 0 HA SER A 59 48.346 -1.327 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.728 -0.067 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.884 -1.375 -4.239 1.00 0.00 H new ATOM 0 HG SER A 59 45.046 -1.660 -2.832 1.00 0.00 H new ATOM 981 N GLN A 60 49.312 -3.258 -3.919 1.00 0.00 N ATOM 982 CA GLN A 60 49.648 -4.683 -4.205 1.00 0.00 C ATOM 983 C GLN A 60 50.780 -5.194 -3.300 1.00 0.00 C ATOM 984 O GLN A 60 50.567 -6.015 -2.431 1.00 0.00 O ATOM 985 CB GLN A 60 50.097 -4.690 -5.665 1.00 0.00 C ATOM 986 CG GLN A 60 49.044 -5.393 -6.523 1.00 0.00 C ATOM 987 CD GLN A 60 49.562 -5.529 -7.954 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.479 -6.587 -8.546 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.096 -4.494 -8.536 1.00 0.00 N ATOM 0 H GLN A 60 49.646 -2.586 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 60 48.796 -5.337 -4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 60 50.243 -3.668 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 51.056 -5.200 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.821 -6.377 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 60 48.114 -4.825 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.164 -3.607 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.446 -4.570 -9.491 1.00 0.00 H new ATOM 998 N LYS A 61 51.986 -4.740 -3.518 1.00 0.00 N ATOM 999 CA LYS A 61 53.131 -5.243 -2.680 1.00 0.00 C ATOM 1000 C LYS A 61 53.150 -4.580 -1.309 1.00 0.00 C ATOM 1001 O LYS A 61 53.850 -5.017 -0.420 1.00 0.00 O ATOM 1002 CB LYS A 61 54.462 -4.966 -3.422 1.00 0.00 C ATOM 1003 CG LYS A 61 54.262 -4.238 -4.762 1.00 0.00 C ATOM 1004 CD LYS A 61 53.549 -5.158 -5.758 1.00 0.00 C ATOM 1005 CE LYS A 61 52.905 -4.313 -6.859 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.050 -3.773 -7.645 1.00 0.00 N ATOM 0 H LYS A 61 52.233 -4.052 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 61 53.005 -6.315 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 61 55.110 -4.367 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.975 -5.911 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 61 53.677 -3.331 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 61 55.227 -3.930 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 61 54.259 -5.862 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.789 -5.748 -5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 61 52.245 -4.915 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 61 52.300 -3.510 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 53.703 -3.401 -8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 54.509 -3.009 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.738 -4.532 -7.823 1.00 0.00 H new ATOM 1020 N ARG A 62 52.395 -3.548 -1.106 1.00 0.00 N ATOM 1021 CA ARG A 62 52.410 -2.921 0.239 1.00 0.00 C ATOM 1022 C ARG A 62 51.460 -3.684 1.158 1.00 0.00 C ATOM 1023 O ARG A 62 51.678 -3.803 2.348 1.00 0.00 O ATOM 1024 CB ARG A 62 51.944 -1.477 0.027 1.00 0.00 C ATOM 1025 CG ARG A 62 50.415 -1.423 -0.043 1.00 0.00 C ATOM 1026 CD ARG A 62 49.959 0.028 -0.204 1.00 0.00 C ATOM 1027 NE ARG A 62 48.912 0.216 0.838 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.615 1.415 1.257 1.00 0.00 C ATOM 1029 NH1 ARG A 62 48.235 2.329 0.406 1.00 0.00 N ATOM 1030 NH2 ARG A 62 48.697 1.702 2.527 1.00 0.00 N ATOM 0 H ARG A 62 51.779 -3.116 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 62 53.395 -2.942 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 62 52.301 -0.848 0.842 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.372 -1.080 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.058 -2.022 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.984 -1.852 0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.788 0.721 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.560 0.209 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 62 48.427 -0.594 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 62 48.170 2.106 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 62 48.003 3.266 0.734 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.994 0.989 3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 62 48.465 2.640 2.854 1.00 0.00 H new ATOM 1044 N ALA A 63 50.413 -4.216 0.598 1.00 0.00 N ATOM 1045 CA ALA A 63 49.440 -4.994 1.410 1.00 0.00 C ATOM 1046 C ALA A 63 49.858 -6.462 1.428 1.00 0.00 C ATOM 1047 O ALA A 63 49.450 -7.230 2.275 1.00 0.00 O ATOM 1048 CB ALA A 63 48.095 -4.819 0.701 1.00 0.00 C ATOM 0 H ALA A 63 50.188 -4.145 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 63 49.389 -4.657 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.324 -5.366 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.835 -3.761 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.167 -5.205 -0.316 1.00 0.00 H new ATOM 1054 N ALA A 64 50.670 -6.854 0.486 1.00 0.00 N ATOM 1055 CA ALA A 64 51.120 -8.274 0.429 1.00 0.00 C ATOM 1056 C ALA A 64 52.383 -8.465 1.264 1.00 0.00 C ATOM 1057 O ALA A 64 52.557 -9.466 1.929 1.00 0.00 O ATOM 1058 CB ALA A 64 51.412 -8.537 -1.048 1.00 0.00 C ATOM 0 H ALA A 64 51.042 -6.252 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 64 50.371 -8.959 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.750 -9.565 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.505 -8.379 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.189 -7.855 -1.392 1.00 0.00 H new ATOM 1064 N TYR A 65 53.272 -7.514 1.223 1.00 0.00 N ATOM 1065 CA TYR A 65 54.531 -7.638 2.000 1.00 0.00 C ATOM 1066 C TYR A 65 54.262 -7.443 3.493 1.00 0.00 C ATOM 1067 O TYR A 65 54.968 -7.967 4.331 1.00 0.00 O ATOM 1068 CB TYR A 65 55.428 -6.535 1.446 1.00 0.00 C ATOM 1069 CG TYR A 65 56.003 -6.991 0.125 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.156 -7.206 -0.971 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.379 -7.209 -0.003 1.00 0.00 C ATOM 1072 CE1 TYR A 65 55.687 -7.637 -2.193 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.908 -7.640 -1.228 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.062 -7.854 -2.321 1.00 0.00 C ATOM 1075 OH TYR A 65 57.585 -8.279 -3.526 1.00 0.00 O ATOM 0 H TYR A 65 53.179 -6.654 0.683 1.00 0.00 H new ATOM 0 HA TYR A 65 54.990 -8.622 1.906 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.857 -5.616 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.230 -6.312 2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.093 -7.039 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 65 58.033 -7.046 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 65 55.034 -7.802 -3.037 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.970 -7.807 -1.328 1.00 0.00 H new ATOM 0 HH TYR A 65 58.556 -8.380 -3.444 1.00 0.00 H new