USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 783 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 22 TYR OH : rot 30:sc= -0.271 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -0.454 K(o=-0.73,f=-1.8) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0.998 USER MOD Set 2.2: A 96 GLN : amide:sc= 1.16 X(o=2.2,f=2.1) USER MOD Set 3.1: A 48 THR OG1 : rot -83:sc= 0.833 USER MOD Set 3.2: A 53 ASN : amide:sc= 0.346 K(o=1.2,f=0.66) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.8) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.15 K(o=-0.15,f=-3.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 177:sc= -0.589 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.00344 (180deg=-0.128) USER MOD Single : A 43 SER OG : rot 72:sc= 0.00537 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0756 (180deg=-0.415) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -69:sc= 1.06 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= 0.992 (180deg=0.398) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -81:sc= 1.56 USER MOD Single : A 77 MET CE :methyl 147:sc= -1.3 (180deg=-2.74!) USER MOD Single : A 78 SER OG : rot 53:sc= -0.301 USER MOD Single : A 81 MET CE :methyl -120:sc= -2.04 (180deg=-6.31!) USER MOD Single : A 84 MET CE :methyl -172:sc= -3.89! (180deg=-4.3!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 143:sc= -1.67! (180deg=-3.8!) USER MOD Single : A 95 SER OG : rot -24:sc= 0.171 USER MOD Single : A 101 LYS NZ :NH3+ 137:sc= 0.652 (180deg=0.0201) USER MOD Single : A 102 TYR OH : rot -64:sc= -1.08 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.498 2.363 12.896 1.00 0.00 N ATOM 84 CA PRO A 7 2.776 1.741 12.532 1.00 0.00 C ATOM 85 C PRO A 7 2.898 1.547 11.019 1.00 0.00 C ATOM 86 O PRO A 7 3.158 0.442 10.536 1.00 0.00 O ATOM 87 CB PRO A 7 2.747 0.381 13.249 1.00 0.00 C ATOM 88 CG PRO A 7 1.601 0.455 14.203 1.00 0.00 C ATOM 89 CD PRO A 7 0.625 1.423 13.607 1.00 0.00 C ATOM 0 HA PRO A 7 3.627 2.358 12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.613 -0.434 12.538 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.683 0.195 13.775 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.144 -0.525 14.339 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.933 0.791 15.185 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.074 0.929 12.932 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.031 1.922 14.372 1.00 0.00 H new ATOM 97 N GLY A 8 2.684 2.625 10.275 1.00 0.00 N ATOM 98 CA GLY A 8 2.761 2.568 8.836 1.00 0.00 C ATOM 99 C GLY A 8 4.093 3.060 8.336 1.00 0.00 C ATOM 100 O GLY A 8 4.572 2.606 7.301 1.00 0.00 O ATOM 0 H GLY A 8 2.456 3.545 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.602 1.543 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.963 3.172 8.403 1.00 0.00 H new ATOM 104 N ALA A 9 4.680 3.991 9.099 1.00 0.00 N ATOM 105 CA ALA A 9 5.958 4.623 8.776 1.00 0.00 C ATOM 106 C ALA A 9 6.142 5.876 9.618 1.00 0.00 C ATOM 107 O ALA A 9 5.392 6.117 10.562 1.00 0.00 O ATOM 108 CB ALA A 9 6.042 4.993 7.302 1.00 0.00 C ATOM 0 H ALA A 9 4.271 4.329 9.970 1.00 0.00 H new ATOM 0 HA ALA A 9 6.748 3.905 8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.005 5.460 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.940 4.094 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.241 5.690 7.056 1.00 0.00 H new ATOM 114 N ASP A 10 7.127 6.676 9.258 1.00 0.00 N ATOM 115 CA ASP A 10 7.382 7.947 9.915 1.00 0.00 C ATOM 116 C ASP A 10 7.046 9.070 8.950 1.00 0.00 C ATOM 117 O ASP A 10 6.799 10.208 9.347 1.00 0.00 O ATOM 118 CB ASP A 10 8.847 8.040 10.344 1.00 0.00 C ATOM 119 CG ASP A 10 9.162 9.314 11.101 1.00 0.00 C ATOM 120 OD1 ASP A 10 8.962 9.343 12.335 1.00 0.00 O ATOM 121 OD2 ASP A 10 9.635 10.284 10.475 1.00 0.00 O ATOM 0 H ASP A 10 7.776 6.464 8.500 1.00 0.00 H new ATOM 0 HA ASP A 10 6.762 8.029 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.092 7.182 10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.483 7.982 9.461 1.00 0.00 H new ATOM 126 N CYS A 11 6.996 8.711 7.672 1.00 0.00 N ATOM 127 CA CYS A 11 6.674 9.648 6.603 1.00 0.00 C ATOM 128 C CYS A 11 5.195 10.038 6.646 1.00 0.00 C ATOM 129 O CYS A 11 4.713 10.813 5.817 1.00 0.00 O ATOM 130 CB CYS A 11 7.044 9.023 5.261 1.00 0.00 C ATOM 131 SG CYS A 11 8.795 8.524 5.162 1.00 0.00 S ATOM 0 H CYS A 11 7.178 7.761 7.348 1.00 0.00 H new ATOM 0 HA CYS A 11 7.251 10.563 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.414 8.151 5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.830 9.735 4.464 1.00 0.00 H new ATOM 136 N GLU A 12 4.488 9.451 7.611 1.00 0.00 N ATOM 137 CA GLU A 12 3.153 9.880 8.021 1.00 0.00 C ATOM 138 C GLU A 12 2.059 9.533 7.008 1.00 0.00 C ATOM 139 O GLU A 12 1.177 8.736 7.300 1.00 0.00 O ATOM 140 CB GLU A 12 3.142 11.384 8.321 1.00 0.00 C ATOM 141 CG GLU A 12 1.797 11.921 8.780 1.00 0.00 C ATOM 142 CD GLU A 12 1.801 13.428 8.919 1.00 0.00 C ATOM 143 OE1 GLU A 12 2.604 13.948 9.725 1.00 0.00 O ATOM 144 OE2 GLU A 12 1.023 14.103 8.211 1.00 0.00 O ATOM 0 H GLU A 12 4.834 8.650 8.139 1.00 0.00 H new ATOM 0 HA GLU A 12 2.920 9.321 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.885 11.595 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.449 11.923 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.027 11.626 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.535 11.470 9.737 1.00 0.00 H new ATOM 151 N VAL A 13 2.094 10.127 5.829 1.00 0.00 N ATOM 152 CA VAL A 13 1.036 9.883 4.861 1.00 0.00 C ATOM 153 C VAL A 13 1.019 8.407 4.465 1.00 0.00 C ATOM 154 O VAL A 13 -0.035 7.768 4.418 1.00 0.00 O ATOM 155 CB VAL A 13 1.161 10.799 3.623 1.00 0.00 C ATOM 156 CG1 VAL A 13 0.039 10.535 2.630 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.143 12.250 4.061 1.00 0.00 C ATOM 0 H VAL A 13 2.825 10.768 5.521 1.00 0.00 H new ATOM 0 HA VAL A 13 0.084 10.128 5.332 1.00 0.00 H new ATOM 0 HB VAL A 13 2.106 10.582 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.153 11.194 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.081 9.497 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.922 10.725 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.231 12.895 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.206 12.463 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.979 12.437 4.736 1.00 0.00 H new ATOM 167 N CYS A 14 2.199 7.845 4.249 1.00 0.00 N ATOM 168 CA CYS A 14 2.301 6.424 3.965 1.00 0.00 C ATOM 169 C CYS A 14 2.087 5.611 5.238 1.00 0.00 C ATOM 170 O CYS A 14 1.769 4.429 5.174 1.00 0.00 O ATOM 171 CB CYS A 14 3.654 6.083 3.338 1.00 0.00 C ATOM 172 SG CYS A 14 5.082 6.419 4.415 1.00 0.00 S ATOM 0 H CYS A 14 3.088 8.345 4.265 1.00 0.00 H new ATOM 0 HA CYS A 14 1.521 6.167 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.660 5.028 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.768 6.652 2.415 1.00 0.00 H new ATOM 177 N LYS A 15 2.230 6.252 6.401 1.00 0.00 N ATOM 178 CA LYS A 15 2.069 5.548 7.669 1.00 0.00 C ATOM 179 C LYS A 15 0.597 5.231 7.888 1.00 0.00 C ATOM 180 O LYS A 15 0.244 4.161 8.374 1.00 0.00 O ATOM 181 CB LYS A 15 2.645 6.357 8.855 1.00 0.00 C ATOM 182 CG LYS A 15 1.624 7.186 9.631 1.00 0.00 C ATOM 183 CD LYS A 15 2.279 8.060 10.691 1.00 0.00 C ATOM 184 CE LYS A 15 2.891 7.233 11.807 1.00 0.00 C ATOM 185 NZ LYS A 15 3.528 8.081 12.845 1.00 0.00 N ATOM 0 H LYS A 15 2.454 7.243 6.488 1.00 0.00 H new ATOM 0 HA LYS A 15 2.635 4.618 7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.128 5.666 9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.420 7.024 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.067 7.815 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.904 6.520 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.052 8.674 10.229 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.538 8.741 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.118 6.617 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.634 6.553 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.933 7.476 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.283 8.651 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.815 8.712 13.263 1.00 0.00 H new ATOM 199 N GLU A 16 -0.251 6.166 7.501 1.00 0.00 N ATOM 200 CA GLU A 16 -1.687 5.971 7.565 1.00 0.00 C ATOM 201 C GLU A 16 -2.101 4.909 6.562 1.00 0.00 C ATOM 202 O GLU A 16 -2.767 3.935 6.911 1.00 0.00 O ATOM 203 CB GLU A 16 -2.416 7.281 7.264 1.00 0.00 C ATOM 204 CG GLU A 16 -2.197 8.374 8.301 1.00 0.00 C ATOM 205 CD GLU A 16 -2.944 8.123 9.597 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.938 7.366 9.583 1.00 0.00 O ATOM 207 OE2 GLU A 16 -2.552 8.698 10.634 1.00 0.00 O ATOM 0 H GLU A 16 0.033 7.075 7.136 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.955 5.646 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.090 7.649 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.484 7.079 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.131 8.457 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.514 9.330 7.885 1.00 0.00 H new ATOM 214 N PHE A 17 -1.669 5.096 5.315 1.00 0.00 N ATOM 215 CA PHE A 17 -2.013 4.182 4.233 1.00 0.00 C ATOM 216 C PHE A 17 -1.560 2.753 4.539 1.00 0.00 C ATOM 217 O PHE A 17 -2.371 1.827 4.519 1.00 0.00 O ATOM 218 CB PHE A 17 -1.390 4.661 2.917 1.00 0.00 C ATOM 219 CG PHE A 17 -1.798 3.847 1.717 1.00 0.00 C ATOM 220 CD1 PHE A 17 -1.087 2.712 1.355 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.891 4.219 0.952 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.460 1.965 0.256 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.269 3.475 -0.150 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.553 2.346 -0.497 1.00 0.00 C ATOM 0 H PHE A 17 -1.077 5.877 5.031 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.099 4.176 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.671 5.701 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.304 4.635 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.231 2.409 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.455 5.101 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.898 1.084 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.123 3.776 -0.739 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.848 1.762 -1.356 1.00 0.00 H new ATOM 234 N LEU A 18 -0.272 2.576 4.834 1.00 0.00 N ATOM 235 CA LEU A 18 0.281 1.243 5.048 1.00 0.00 C ATOM 236 C LEU A 18 -0.311 0.594 6.293 1.00 0.00 C ATOM 237 O LEU A 18 -0.482 -0.619 6.334 1.00 0.00 O ATOM 238 CB LEU A 18 1.812 1.287 5.154 1.00 0.00 C ATOM 239 CG LEU A 18 2.548 1.745 3.890 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.025 1.943 4.178 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.368 0.736 2.769 1.00 0.00 C ATOM 0 H LEU A 18 0.403 3.335 4.929 1.00 0.00 H new ATOM 0 HA LEU A 18 0.012 0.638 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.083 1.953 5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.169 0.292 5.421 1.00 0.00 H new ATOM 0 HG LEU A 18 2.120 2.696 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.532 2.268 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.146 2.700 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.458 1.003 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.898 1.080 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.769 -0.229 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.307 0.631 2.540 1.00 0.00 H new ATOM 253 N ASN A 19 -0.632 1.398 7.303 1.00 0.00 N ATOM 254 CA ASN A 19 -1.203 0.866 8.538 1.00 0.00 C ATOM 255 C ASN A 19 -2.637 0.398 8.317 1.00 0.00 C ATOM 256 O ASN A 19 -2.979 -0.744 8.628 1.00 0.00 O ATOM 257 CB ASN A 19 -1.163 1.909 9.652 1.00 0.00 C ATOM 258 CG ASN A 19 -1.607 1.349 10.988 1.00 0.00 C ATOM 259 OD1 ASN A 19 -2.194 2.058 11.803 1.00 0.00 O ATOM 260 ND2 ASN A 19 -1.307 0.080 11.236 1.00 0.00 N ATOM 0 H ASN A 19 -0.508 2.410 7.292 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.598 0.011 8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.149 2.299 9.744 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.804 2.748 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.565 -0.340 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.819 -0.475 10.533 1.00 0.00 H new ATOM 267 N ARG A 20 -3.469 1.294 7.786 1.00 0.00 N ATOM 268 CA ARG A 20 -4.853 0.972 7.450 1.00 0.00 C ATOM 269 C ARG A 20 -4.927 -0.263 6.557 1.00 0.00 C ATOM 270 O ARG A 20 -5.669 -1.201 6.840 1.00 0.00 O ATOM 271 CB ARG A 20 -5.508 2.148 6.727 1.00 0.00 C ATOM 272 CG ARG A 20 -5.740 3.375 7.592 1.00 0.00 C ATOM 273 CD ARG A 20 -6.213 4.549 6.750 1.00 0.00 C ATOM 274 NE ARG A 20 -7.345 4.183 5.895 1.00 0.00 N ATOM 275 CZ ARG A 20 -7.922 5.010 5.021 1.00 0.00 C ATOM 276 NH1 ARG A 20 -7.473 6.250 4.876 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.940 4.590 4.279 1.00 0.00 N ATOM 0 H ARG A 20 -3.204 2.257 7.578 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.382 0.769 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.883 2.430 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.465 1.820 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.481 3.150 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.818 3.641 8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.502 5.372 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.391 4.907 6.131 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.716 3.236 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.683 6.575 5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.917 6.878 4.207 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.282 3.634 4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.380 5.223 3.611 1.00 0.00 H new ATOM 291 N PHE A 21 -4.147 -0.244 5.482 1.00 0.00 N ATOM 292 CA PHE A 21 -4.118 -1.343 4.521 1.00 0.00 C ATOM 293 C PHE A 21 -3.745 -2.648 5.205 1.00 0.00 C ATOM 294 O PHE A 21 -4.427 -3.662 5.059 1.00 0.00 O ATOM 295 CB PHE A 21 -3.104 -1.034 3.421 1.00 0.00 C ATOM 296 CG PHE A 21 -3.056 -2.061 2.328 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.102 -2.189 1.428 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.964 -2.903 2.203 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.058 -3.136 0.425 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.914 -3.852 1.202 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.962 -3.970 0.311 1.00 0.00 C ATOM 0 H PHE A 21 -3.521 0.527 5.252 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.112 -1.451 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.342 -0.064 2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.114 -0.948 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.961 -1.540 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.141 -2.816 2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.880 -3.225 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.056 -4.502 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.925 -4.712 -0.473 1.00 0.00 H new ATOM 311 N TYR A 22 -2.657 -2.594 5.956 1.00 0.00 N ATOM 312 CA TYR A 22 -2.130 -3.747 6.666 1.00 0.00 C ATOM 313 C TYR A 22 -3.201 -4.374 7.556 1.00 0.00 C ATOM 314 O TYR A 22 -3.524 -5.552 7.417 1.00 0.00 O ATOM 315 CB TYR A 22 -0.927 -3.286 7.494 1.00 0.00 C ATOM 316 CG TYR A 22 -0.187 -4.370 8.251 1.00 0.00 C ATOM 317 CD1 TYR A 22 -0.688 -4.897 9.434 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.037 -4.843 7.791 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.005 -5.864 10.135 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.735 -5.812 8.484 1.00 0.00 C ATOM 321 CZ TYR A 22 1.215 -6.320 9.658 1.00 0.00 C ATOM 322 OH TYR A 22 1.906 -7.283 10.360 1.00 0.00 O ATOM 0 H TYR A 22 -2.111 -1.743 6.091 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.818 -4.513 5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.221 -2.789 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.269 -2.539 8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.636 -4.544 9.812 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.449 -4.445 6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.400 -6.262 11.054 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.683 -6.171 8.110 1.00 0.00 H new ATOM 0 HH TYR A 22 1.272 -7.855 10.841 1.00 0.00 H new ATOM 332 N LYS A 23 -3.782 -3.573 8.440 1.00 0.00 N ATOM 333 CA LYS A 23 -4.741 -4.084 9.406 1.00 0.00 C ATOM 334 C LYS A 23 -6.054 -4.505 8.763 1.00 0.00 C ATOM 335 O LYS A 23 -6.646 -5.516 9.154 1.00 0.00 O ATOM 336 CB LYS A 23 -4.995 -3.077 10.505 1.00 0.00 C ATOM 337 CG LYS A 23 -4.070 -3.245 11.694 1.00 0.00 C ATOM 338 CD LYS A 23 -3.904 -4.714 12.043 1.00 0.00 C ATOM 339 CE LYS A 23 -3.413 -4.900 13.469 1.00 0.00 C ATOM 340 NZ LYS A 23 -3.179 -6.333 13.793 1.00 0.00 N ATOM 0 H LYS A 23 -3.606 -2.571 8.507 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.293 -4.978 9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.878 -2.071 10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.028 -3.168 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.097 -2.808 11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.471 -2.706 12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.857 -5.228 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.198 -5.175 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.488 -4.340 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.145 -4.486 14.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.845 -6.417 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.067 -6.863 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.461 -6.722 13.149 1.00 0.00 H new ATOM 354 N SER A 24 -6.502 -3.745 7.774 1.00 0.00 N ATOM 355 CA SER A 24 -7.736 -4.062 7.072 1.00 0.00 C ATOM 356 C SER A 24 -7.601 -5.387 6.328 1.00 0.00 C ATOM 357 O SER A 24 -8.578 -6.113 6.133 1.00 0.00 O ATOM 358 CB SER A 24 -8.098 -2.938 6.096 1.00 0.00 C ATOM 359 OG SER A 24 -9.286 -3.237 5.386 1.00 0.00 O ATOM 0 H SER A 24 -6.029 -2.905 7.440 1.00 0.00 H new ATOM 0 HA SER A 24 -8.536 -4.157 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.224 -2.004 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.279 -2.787 5.392 1.00 0.00 H new ATOM 0 HG SER A 24 -9.494 -2.502 4.772 1.00 0.00 H new ATOM 365 N LEU A 25 -6.380 -5.718 5.946 1.00 0.00 N ATOM 366 CA LEU A 25 -6.131 -6.921 5.168 1.00 0.00 C ATOM 367 C LEU A 25 -6.059 -8.133 6.080 1.00 0.00 C ATOM 368 O LEU A 25 -6.519 -9.221 5.725 1.00 0.00 O ATOM 369 CB LEU A 25 -4.846 -6.773 4.364 1.00 0.00 C ATOM 370 CG LEU A 25 -5.026 -6.979 2.863 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.130 -6.075 2.341 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.720 -6.726 2.128 1.00 0.00 C ATOM 0 H LEU A 25 -5.546 -5.172 6.161 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.957 -7.066 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.434 -5.779 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.114 -7.491 4.734 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.315 -8.014 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.250 -6.230 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.065 -6.312 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.868 -5.034 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.869 -6.878 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.394 -5.701 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.959 -7.417 2.490 1.00 0.00 H new ATOM 384 N ILE A 26 -5.496 -7.934 7.259 1.00 0.00 N ATOM 385 CA ILE A 26 -5.417 -8.989 8.255 1.00 0.00 C ATOM 386 C ILE A 26 -6.815 -9.370 8.728 1.00 0.00 C ATOM 387 O ILE A 26 -7.179 -10.545 8.741 1.00 0.00 O ATOM 388 CB ILE A 26 -4.576 -8.554 9.478 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.201 -8.052 9.038 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.426 -9.704 10.464 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.397 -9.069 8.265 1.00 0.00 C ATOM 0 H ILE A 26 -5.085 -7.047 7.551 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.933 -9.845 7.785 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.100 -7.737 9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.330 -7.162 8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.636 -7.751 9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.831 -9.377 11.317 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.411 -10.019 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.928 -10.541 9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.435 -8.638 7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.235 -9.951 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.940 -9.353 7.364 1.00 0.00 H new ATOM 403 N ASP A 27 -7.602 -8.359 9.079 1.00 0.00 N ATOM 404 CA ASP A 27 -8.938 -8.577 9.624 1.00 0.00 C ATOM 405 C ASP A 27 -9.869 -9.197 8.596 1.00 0.00 C ATOM 406 O ASP A 27 -10.642 -10.098 8.914 1.00 0.00 O ATOM 407 CB ASP A 27 -9.538 -7.264 10.128 1.00 0.00 C ATOM 408 CG ASP A 27 -10.937 -7.450 10.683 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.066 -7.865 11.856 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.912 -7.184 9.951 1.00 0.00 O ATOM 0 H ASP A 27 -7.337 -7.377 8.996 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.834 -9.271 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.894 -6.846 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.566 -6.542 9.312 1.00 0.00 H new ATOM 415 N ARG A 28 -9.795 -8.715 7.366 1.00 0.00 N ATOM 416 CA ARG A 28 -10.674 -9.202 6.316 1.00 0.00 C ATOM 417 C ARG A 28 -10.221 -10.560 5.784 1.00 0.00 C ATOM 418 O ARG A 28 -10.959 -11.234 5.069 1.00 0.00 O ATOM 419 CB ARG A 28 -10.806 -8.177 5.192 1.00 0.00 C ATOM 420 CG ARG A 28 -11.547 -6.918 5.619 1.00 0.00 C ATOM 421 CD ARG A 28 -11.726 -5.949 4.462 1.00 0.00 C ATOM 422 NE ARG A 28 -10.447 -5.535 3.893 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.315 -4.963 2.696 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.389 -4.645 1.983 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.111 -4.673 2.227 1.00 0.00 N ATOM 0 H ARG A 28 -9.139 -7.991 7.071 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.662 -9.344 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.812 -7.904 4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.330 -8.633 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.523 -7.189 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.997 -6.427 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.333 -6.418 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.271 -5.070 4.806 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.604 -5.693 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.321 -4.838 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.282 -4.208 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.282 -4.887 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.012 -4.235 1.311 1.00 0.00 H new ATOM 439 N GLY A 29 -9.002 -10.957 6.147 1.00 0.00 N ATOM 440 CA GLY A 29 -8.469 -12.237 5.711 1.00 0.00 C ATOM 441 C GLY A 29 -8.110 -12.214 4.245 1.00 0.00 C ATOM 442 O GLY A 29 -8.316 -13.184 3.518 1.00 0.00 O ATOM 0 H GLY A 29 -8.373 -10.412 6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.586 -12.484 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.204 -13.021 5.895 1.00 0.00 H new ATOM 446 N VAL A 30 -7.551 -11.094 3.831 1.00 0.00 N ATOM 447 CA VAL A 30 -7.319 -10.802 2.436 1.00 0.00 C ATOM 448 C VAL A 30 -5.832 -10.446 2.226 1.00 0.00 C ATOM 449 O VAL A 30 -5.438 -9.739 1.299 1.00 0.00 O ATOM 450 CB VAL A 30 -8.299 -9.662 2.028 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.283 -8.548 3.053 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.017 -9.093 0.662 1.00 0.00 C ATOM 0 H VAL A 30 -7.243 -10.355 4.463 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.515 -11.661 1.794 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.288 -10.119 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.975 -7.763 2.748 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.586 -8.942 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.276 -8.136 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.736 -8.304 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.008 -8.681 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.103 -9.882 -0.085 1.00 0.00 H new ATOM 462 N ASN A 31 -4.991 -10.993 3.090 1.00 0.00 N ATOM 463 CA ASN A 31 -3.574 -10.653 3.087 1.00 0.00 C ATOM 464 C ASN A 31 -2.688 -11.885 3.131 1.00 0.00 C ATOM 465 O ASN A 31 -2.472 -12.466 4.196 1.00 0.00 O ATOM 466 CB ASN A 31 -3.252 -9.757 4.269 1.00 0.00 C ATOM 467 CG ASN A 31 -1.800 -9.303 4.299 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.214 -9.143 5.365 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.216 -9.079 3.131 1.00 0.00 N ATOM 0 H ASN A 31 -5.262 -11.672 3.801 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.370 -10.129 2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.899 -8.881 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.479 -10.290 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.247 -8.762 3.098 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.735 -9.223 2.265 1.00 0.00 H new ATOM 476 N PHE A 32 -2.190 -12.253 1.956 1.00 0.00 N ATOM 477 CA PHE A 32 -1.224 -13.338 1.784 1.00 0.00 C ATOM 478 C PHE A 32 -1.153 -13.691 0.308 1.00 0.00 C ATOM 479 O PHE A 32 -0.128 -14.150 -0.195 1.00 0.00 O ATOM 480 CB PHE A 32 -1.595 -14.591 2.589 1.00 0.00 C ATOM 481 CG PHE A 32 -0.393 -15.373 3.035 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.193 -16.313 2.203 1.00 0.00 C ATOM 483 CD2 PHE A 32 0.161 -15.154 4.286 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.306 -17.020 2.612 1.00 0.00 C ATOM 485 CE2 PHE A 32 1.275 -15.857 4.698 1.00 0.00 C ATOM 486 CZ PHE A 32 1.849 -16.791 3.861 1.00 0.00 C ATOM 0 H PHE A 32 -2.449 -11.800 1.080 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.260 -12.992 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.176 -14.297 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.235 -15.231 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.225 -16.495 1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.284 -14.425 4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.752 -17.752 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.697 -15.676 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.721 -17.342 4.182 1.00 0.00 H new ATOM 496 N SER A 33 -2.265 -13.468 -0.379 1.00 0.00 N ATOM 497 CA SER A 33 -2.352 -13.733 -1.806 1.00 0.00 C ATOM 498 C SER A 33 -1.773 -12.561 -2.597 1.00 0.00 C ATOM 499 O SER A 33 -2.245 -11.426 -2.490 1.00 0.00 O ATOM 500 CB SER A 33 -3.811 -13.964 -2.193 1.00 0.00 C ATOM 501 OG SER A 33 -4.452 -14.838 -1.275 1.00 0.00 O ATOM 0 H SER A 33 -3.123 -13.102 0.033 1.00 0.00 H new ATOM 0 HA SER A 33 -1.774 -14.626 -2.041 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.338 -13.010 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.862 -14.385 -3.197 1.00 0.00 H new ATOM 0 HG SER A 33 -5.385 -14.968 -1.544 1.00 0.00 H new ATOM 507 N LEU A 34 -0.750 -12.858 -3.395 1.00 0.00 N ATOM 508 CA LEU A 34 -0.013 -11.846 -4.149 1.00 0.00 C ATOM 509 C LEU A 34 -0.905 -11.063 -5.107 1.00 0.00 C ATOM 510 O LEU A 34 -0.736 -9.854 -5.275 1.00 0.00 O ATOM 511 CB LEU A 34 1.128 -12.497 -4.939 1.00 0.00 C ATOM 512 CG LEU A 34 2.439 -12.698 -4.173 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.902 -11.390 -3.577 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.305 -13.746 -3.081 1.00 0.00 C ATOM 0 H LEU A 34 -0.408 -13.808 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 34 0.388 -11.143 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.787 -13.468 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.332 -11.884 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 34 3.181 -13.056 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.835 -11.547 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.063 -10.664 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.143 -11.014 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.258 -13.856 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.540 -13.435 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.021 -14.700 -3.525 1.00 0.00 H new ATOM 526 N ASP A 35 -1.848 -11.747 -5.737 1.00 0.00 N ATOM 527 CA ASP A 35 -2.709 -11.114 -6.729 1.00 0.00 C ATOM 528 C ASP A 35 -3.786 -10.284 -6.051 1.00 0.00 C ATOM 529 O ASP A 35 -4.299 -9.320 -6.623 1.00 0.00 O ATOM 530 CB ASP A 35 -3.358 -12.163 -7.636 1.00 0.00 C ATOM 531 CG ASP A 35 -2.342 -12.984 -8.401 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.837 -12.503 -9.437 1.00 0.00 O ATOM 533 OD2 ASP A 35 -2.036 -14.115 -7.964 1.00 0.00 O ATOM 0 H ASP A 35 -2.038 -12.737 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.089 -10.458 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.975 -12.828 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.023 -11.665 -8.342 1.00 0.00 H new ATOM 538 N THR A 36 -4.116 -10.656 -4.826 1.00 0.00 N ATOM 539 CA THR A 36 -5.142 -9.964 -4.070 1.00 0.00 C ATOM 540 C THR A 36 -4.610 -8.662 -3.502 1.00 0.00 C ATOM 541 O THR A 36 -5.268 -7.630 -3.588 1.00 0.00 O ATOM 542 CB THR A 36 -5.671 -10.850 -2.931 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.076 -12.120 -3.453 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.842 -10.195 -2.221 1.00 0.00 C ATOM 0 H THR A 36 -3.685 -11.438 -4.333 1.00 0.00 H new ATOM 0 HA THR A 36 -5.962 -9.740 -4.752 1.00 0.00 H new ATOM 0 HB THR A 36 -4.867 -10.987 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.366 -12.699 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.193 -10.847 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.525 -9.241 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.650 -10.026 -2.932 1.00 0.00 H new ATOM 552 N ILE A 37 -3.413 -8.708 -2.939 1.00 0.00 N ATOM 553 CA ILE A 37 -2.776 -7.506 -2.425 1.00 0.00 C ATOM 554 C ILE A 37 -2.564 -6.513 -3.559 1.00 0.00 C ATOM 555 O ILE A 37 -2.596 -5.302 -3.359 1.00 0.00 O ATOM 556 CB ILE A 37 -1.436 -7.838 -1.746 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.667 -8.878 -0.653 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.797 -6.582 -1.164 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.398 -9.370 -0.013 1.00 0.00 C ATOM 0 H ILE A 37 -2.865 -9.561 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.429 -7.061 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.752 -8.244 -2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.309 -8.448 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.203 -9.727 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.149 -6.842 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.617 -5.862 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.466 -6.143 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.639 -10.106 0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.237 -9.830 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.129 -8.531 0.442 1.00 0.00 H new ATOM 571 N GLU A 38 -2.382 -7.051 -4.758 1.00 0.00 N ATOM 572 CA GLU A 38 -2.266 -6.241 -5.957 1.00 0.00 C ATOM 573 C GLU A 38 -3.564 -5.473 -6.198 1.00 0.00 C ATOM 574 O GLU A 38 -3.569 -4.244 -6.302 1.00 0.00 O ATOM 575 CB GLU A 38 -1.939 -7.140 -7.153 1.00 0.00 C ATOM 576 CG GLU A 38 -1.652 -6.391 -8.443 1.00 0.00 C ATOM 577 CD GLU A 38 -1.370 -7.331 -9.597 1.00 0.00 C ATOM 578 OE1 GLU A 38 -0.335 -8.032 -9.558 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.187 -7.386 -10.540 1.00 0.00 O ATOM 0 H GLU A 38 -2.311 -8.055 -4.923 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.460 -5.518 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.074 -7.754 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.775 -7.819 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.504 -5.758 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.797 -5.731 -8.296 1.00 0.00 H new ATOM 586 N LYS A 39 -4.662 -6.213 -6.244 1.00 0.00 N ATOM 587 CA LYS A 39 -5.979 -5.641 -6.466 1.00 0.00 C ATOM 588 C LYS A 39 -6.370 -4.694 -5.333 1.00 0.00 C ATOM 589 O LYS A 39 -6.916 -3.617 -5.567 1.00 0.00 O ATOM 590 CB LYS A 39 -7.009 -6.768 -6.593 1.00 0.00 C ATOM 591 CG LYS A 39 -8.440 -6.281 -6.714 1.00 0.00 C ATOM 592 CD LYS A 39 -8.643 -5.449 -7.966 1.00 0.00 C ATOM 593 CE LYS A 39 -10.017 -4.805 -7.981 1.00 0.00 C ATOM 594 NZ LYS A 39 -11.109 -5.810 -7.889 1.00 0.00 N ATOM 0 H LYS A 39 -4.664 -7.226 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.954 -5.062 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.766 -7.372 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.930 -7.420 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.116 -7.136 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.699 -5.688 -5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.876 -4.676 -8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.524 -6.079 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.098 -4.106 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.135 -4.226 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.024 -5.345 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.961 -6.550 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.106 -6.240 -6.942 1.00 0.00 H new ATOM 608 N GLU A 40 -6.075 -5.097 -4.108 1.00 0.00 N ATOM 609 CA GLU A 40 -6.451 -4.320 -2.937 1.00 0.00 C ATOM 610 C GLU A 40 -5.654 -3.035 -2.834 1.00 0.00 C ATOM 611 O GLU A 40 -6.197 -2.012 -2.435 1.00 0.00 O ATOM 612 CB GLU A 40 -6.301 -5.142 -1.658 1.00 0.00 C ATOM 613 CG GLU A 40 -7.452 -6.102 -1.422 1.00 0.00 C ATOM 614 CD GLU A 40 -8.785 -5.387 -1.348 1.00 0.00 C ATOM 615 OE1 GLU A 40 -8.974 -4.564 -0.428 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.653 -5.642 -2.212 1.00 0.00 O ATOM 0 H GLU A 40 -5.575 -5.961 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.501 -4.053 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.370 -5.707 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.221 -4.466 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.480 -6.838 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.283 -6.649 -0.495 1.00 0.00 H new ATOM 623 N LEU A 41 -4.378 -3.076 -3.189 1.00 0.00 N ATOM 624 CA LEU A 41 -3.591 -1.853 -3.262 1.00 0.00 C ATOM 625 C LEU A 41 -4.259 -0.882 -4.223 1.00 0.00 C ATOM 626 O LEU A 41 -4.418 0.301 -3.924 1.00 0.00 O ATOM 627 CB LEU A 41 -2.155 -2.147 -3.708 1.00 0.00 C ATOM 628 CG LEU A 41 -1.216 -2.641 -2.604 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.134 -3.031 -3.184 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.043 -1.569 -1.538 1.00 0.00 C ATOM 0 H LEU A 41 -3.871 -3.928 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.543 -1.406 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.184 -2.896 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.734 -1.240 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.661 -3.523 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.787 -3.379 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.001 -3.828 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.585 -2.166 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.373 -1.934 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.620 -0.672 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.012 -1.332 -1.100 1.00 0.00 H new ATOM 642 N ILE A 42 -4.697 -1.411 -5.355 1.00 0.00 N ATOM 643 CA ILE A 42 -5.388 -0.622 -6.363 1.00 0.00 C ATOM 644 C ILE A 42 -6.687 -0.032 -5.817 1.00 0.00 C ATOM 645 O ILE A 42 -6.952 1.164 -5.974 1.00 0.00 O ATOM 646 CB ILE A 42 -5.690 -1.482 -7.613 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.384 -1.908 -8.290 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.583 -0.732 -8.588 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.582 -2.867 -9.444 1.00 0.00 C ATOM 0 H ILE A 42 -4.584 -2.395 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.729 0.200 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.224 -2.377 -7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.866 -1.020 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.736 -2.375 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.780 -1.359 -9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.525 -0.482 -8.100 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.085 0.184 -8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.614 -3.124 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.071 -3.772 -9.085 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.204 -2.396 -10.206 1.00 0.00 H new ATOM 661 N SER A 43 -7.491 -0.864 -5.176 1.00 0.00 N ATOM 662 CA SER A 43 -8.773 -0.419 -4.641 1.00 0.00 C ATOM 663 C SER A 43 -8.596 0.524 -3.448 1.00 0.00 C ATOM 664 O SER A 43 -9.281 1.544 -3.343 1.00 0.00 O ATOM 665 CB SER A 43 -9.614 -1.631 -4.244 1.00 0.00 C ATOM 666 OG SER A 43 -9.823 -2.479 -5.360 1.00 0.00 O ATOM 0 H SER A 43 -7.282 -1.849 -5.012 1.00 0.00 H new ATOM 0 HA SER A 43 -9.288 0.141 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.113 -2.184 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.574 -1.300 -3.847 1.00 0.00 H new ATOM 0 HG SER A 43 -8.987 -2.938 -5.583 1.00 0.00 H new ATOM 672 N PHE A 44 -7.658 0.198 -2.571 1.00 0.00 N ATOM 673 CA PHE A 44 -7.449 0.959 -1.343 1.00 0.00 C ATOM 674 C PHE A 44 -6.922 2.352 -1.666 1.00 0.00 C ATOM 675 O PHE A 44 -7.246 3.327 -0.988 1.00 0.00 O ATOM 676 CB PHE A 44 -6.472 0.222 -0.424 1.00 0.00 C ATOM 677 CG PHE A 44 -6.560 0.638 1.017 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.475 0.036 1.865 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.730 1.624 1.523 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.562 0.412 3.189 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.812 2.004 2.847 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.729 1.396 3.681 1.00 0.00 C ATOM 0 H PHE A 44 -7.025 -0.593 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.405 1.060 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.660 -0.849 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.456 0.392 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.127 -0.736 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.010 2.101 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.281 -0.063 3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.160 2.775 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.794 1.690 4.718 1.00 0.00 H new ATOM 692 N CYS A 45 -6.118 2.436 -2.717 1.00 0.00 N ATOM 693 CA CYS A 45 -5.592 3.710 -3.188 1.00 0.00 C ATOM 694 C CYS A 45 -6.706 4.657 -3.607 1.00 0.00 C ATOM 695 O CYS A 45 -6.554 5.872 -3.530 1.00 0.00 O ATOM 696 CB CYS A 45 -4.649 3.489 -4.365 1.00 0.00 C ATOM 697 SG CYS A 45 -2.978 2.969 -3.888 1.00 0.00 S ATOM 0 H CYS A 45 -5.814 1.630 -3.263 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.049 4.164 -2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.078 2.734 -5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.580 4.412 -4.940 1.00 0.00 H new ATOM 702 N LEU A 46 -7.811 4.102 -4.074 1.00 0.00 N ATOM 703 CA LEU A 46 -8.933 4.913 -4.515 1.00 0.00 C ATOM 704 C LEU A 46 -9.881 5.226 -3.356 1.00 0.00 C ATOM 705 O LEU A 46 -10.582 6.239 -3.365 1.00 0.00 O ATOM 706 CB LEU A 46 -9.675 4.199 -5.640 1.00 0.00 C ATOM 707 CG LEU A 46 -10.774 5.015 -6.324 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.178 6.214 -7.048 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.560 4.143 -7.289 1.00 0.00 C ATOM 0 H LEU A 46 -7.955 3.096 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.547 5.862 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.950 3.894 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.119 3.288 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.457 5.383 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.975 6.782 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.659 6.851 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.472 5.869 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.338 4.739 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.888 3.745 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.019 3.318 -6.743 1.00 0.00 H new ATOM 721 N ASP A 47 -9.892 4.352 -2.355 1.00 0.00 N ATOM 722 CA ASP A 47 -10.834 4.463 -1.241 1.00 0.00 C ATOM 723 C ASP A 47 -10.343 5.457 -0.193 1.00 0.00 C ATOM 724 O ASP A 47 -11.124 5.966 0.615 1.00 0.00 O ATOM 725 CB ASP A 47 -11.052 3.088 -0.601 1.00 0.00 C ATOM 726 CG ASP A 47 -12.145 3.091 0.450 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.327 3.304 0.087 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.836 2.868 1.639 1.00 0.00 O ATOM 0 H ASP A 47 -9.258 3.556 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.780 4.833 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.305 2.367 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.120 2.753 -0.147 1.00 0.00 H new ATOM 733 N THR A 48 -9.050 5.740 -0.230 1.00 0.00 N ATOM 734 CA THR A 48 -8.422 6.648 0.715 1.00 0.00 C ATOM 735 C THR A 48 -8.762 8.108 0.414 1.00 0.00 C ATOM 736 O THR A 48 -9.589 8.395 -0.455 1.00 0.00 O ATOM 737 CB THR A 48 -6.901 6.456 0.692 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.486 6.064 -0.623 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.470 5.402 1.697 1.00 0.00 C ATOM 0 H THR A 48 -8.407 5.346 -0.917 1.00 0.00 H new ATOM 0 HA THR A 48 -8.810 6.413 1.706 1.00 0.00 H new ATOM 0 HB THR A 48 -6.431 7.402 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.600 5.096 -0.727 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.387 5.285 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.768 5.711 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.946 4.452 1.454 1.00 0.00 H new ATOM 747 N LYS A 49 -8.132 9.027 1.132 1.00 0.00 N ATOM 748 CA LYS A 49 -8.386 10.448 0.940 1.00 0.00 C ATOM 749 C LYS A 49 -7.360 11.060 0.004 1.00 0.00 C ATOM 750 O LYS A 49 -6.393 10.407 -0.360 1.00 0.00 O ATOM 751 CB LYS A 49 -8.368 11.172 2.282 1.00 0.00 C ATOM 752 CG LYS A 49 -9.403 10.657 3.265 1.00 0.00 C ATOM 753 CD LYS A 49 -10.814 11.002 2.822 1.00 0.00 C ATOM 754 CE LYS A 49 -11.834 10.663 3.896 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.595 11.428 5.149 1.00 0.00 N ATOM 0 H LYS A 49 -7.442 8.814 1.852 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.372 10.560 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.377 11.073 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.537 12.236 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.306 9.576 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.215 11.085 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.873 12.064 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.053 10.458 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.836 10.877 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.795 9.595 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.459 11.426 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.820 10.986 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.338 12.408 4.914 1.00 0.00 H new ATOM 769 N GLY A 50 -7.570 12.322 -0.355 1.00 0.00 N ATOM 770 CA GLY A 50 -6.779 12.964 -1.395 1.00 0.00 C ATOM 771 C GLY A 50 -5.278 12.849 -1.197 1.00 0.00 C ATOM 772 O GLY A 50 -4.545 12.565 -2.151 1.00 0.00 O ATOM 0 H GLY A 50 -8.283 12.921 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.042 12.526 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.048 14.019 -1.441 1.00 0.00 H new ATOM 776 N LYS A 51 -4.808 13.069 0.026 1.00 0.00 N ATOM 777 CA LYS A 51 -3.383 12.944 0.324 1.00 0.00 C ATOM 778 C LYS A 51 -2.893 11.532 0.026 1.00 0.00 C ATOM 779 O LYS A 51 -1.804 11.343 -0.508 1.00 0.00 O ATOM 780 CB LYS A 51 -3.093 13.292 1.789 1.00 0.00 C ATOM 781 CG LYS A 51 -2.722 14.752 2.032 1.00 0.00 C ATOM 782 CD LYS A 51 -3.832 15.707 1.622 1.00 0.00 C ATOM 783 CE LYS A 51 -3.472 17.151 1.942 1.00 0.00 C ATOM 784 NZ LYS A 51 -4.490 18.104 1.425 1.00 0.00 N ATOM 0 H LYS A 51 -5.387 13.333 0.823 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.850 13.649 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.971 13.049 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.280 12.660 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.494 14.895 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.816 14.992 1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.023 15.607 0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.754 15.438 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.377 17.271 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.500 17.387 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.208 19.076 1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.562 18.008 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.412 17.895 1.858 1.00 0.00 H new ATOM 798 N GLU A 52 -3.728 10.555 0.337 1.00 0.00 N ATOM 799 CA GLU A 52 -3.373 9.150 0.193 1.00 0.00 C ATOM 800 C GLU A 52 -3.593 8.675 -1.245 1.00 0.00 C ATOM 801 O GLU A 52 -2.808 7.885 -1.776 1.00 0.00 O ATOM 802 CB GLU A 52 -4.212 8.322 1.157 1.00 0.00 C ATOM 803 CG GLU A 52 -4.137 8.814 2.593 1.00 0.00 C ATOM 804 CD GLU A 52 -5.226 8.236 3.474 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.415 8.542 3.228 1.00 0.00 O ATOM 806 OE2 GLU A 52 -4.905 7.497 4.428 1.00 0.00 O ATOM 0 H GLU A 52 -4.670 10.711 0.696 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.316 9.025 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.251 8.337 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.880 7.284 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.164 8.554 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.208 9.902 2.603 1.00 0.00 H new ATOM 813 N ASN A 53 -4.660 9.170 -1.871 1.00 0.00 N ATOM 814 CA ASN A 53 -4.962 8.842 -3.263 1.00 0.00 C ATOM 815 C ASN A 53 -3.789 9.244 -4.146 1.00 0.00 C ATOM 816 O ASN A 53 -3.342 8.479 -5.001 1.00 0.00 O ATOM 817 CB ASN A 53 -6.231 9.562 -3.757 1.00 0.00 C ATOM 818 CG ASN A 53 -7.479 9.278 -2.945 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.336 10.146 -2.796 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.618 8.066 -2.448 1.00 0.00 N ATOM 0 H ASN A 53 -5.331 9.802 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.134 7.767 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.048 10.636 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.415 9.275 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.457 7.824 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.887 7.369 -2.591 1.00 0.00 H new ATOM 827 N ARG A 54 -3.282 10.452 -3.917 1.00 0.00 N ATOM 828 CA ARG A 54 -2.158 10.968 -4.685 1.00 0.00 C ATOM 829 C ARG A 54 -0.854 10.325 -4.217 1.00 0.00 C ATOM 830 O ARG A 54 0.075 10.138 -5.008 1.00 0.00 O ATOM 831 CB ARG A 54 -2.085 12.495 -4.558 1.00 0.00 C ATOM 832 CG ARG A 54 -1.102 13.150 -5.520 1.00 0.00 C ATOM 833 CD ARG A 54 -1.392 12.753 -6.961 1.00 0.00 C ATOM 834 NE ARG A 54 -0.534 13.450 -7.920 1.00 0.00 N ATOM 835 CZ ARG A 54 0.708 13.076 -8.230 1.00 0.00 C ATOM 836 NH1 ARG A 54 1.286 12.063 -7.595 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.382 13.722 -9.176 1.00 0.00 N ATOM 0 H ARG A 54 -3.634 11.091 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.306 10.716 -5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.078 12.912 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.804 12.751 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.160 14.234 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.085 12.859 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.256 11.677 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.436 12.967 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.911 14.277 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.780 11.564 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.236 11.784 -7.839 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.949 14.505 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.332 13.435 -9.412 1.00 0.00 H new ATOM 851 N LEU A 55 -0.802 9.977 -2.932 1.00 0.00 N ATOM 852 CA LEU A 55 0.351 9.288 -2.356 1.00 0.00 C ATOM 853 C LEU A 55 0.613 7.971 -3.072 1.00 0.00 C ATOM 854 O LEU A 55 1.753 7.519 -3.171 1.00 0.00 O ATOM 855 CB LEU A 55 0.117 8.997 -0.874 1.00 0.00 C ATOM 856 CG LEU A 55 1.199 8.151 -0.200 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.414 8.999 0.138 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.645 7.469 1.040 1.00 0.00 C ATOM 0 H LEU A 55 -1.552 10.163 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 55 1.214 9.943 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.035 9.945 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.840 8.487 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 55 1.517 7.377 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.170 8.377 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.823 9.429 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.121 9.800 0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.428 6.871 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.295 8.223 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.186 6.822 0.759 1.00 0.00 H new ATOM 870 N CYS A 56 -0.454 7.361 -3.563 1.00 0.00 N ATOM 871 CA CYS A 56 -0.366 6.065 -4.216 1.00 0.00 C ATOM 872 C CYS A 56 0.596 6.095 -5.397 1.00 0.00 C ATOM 873 O CYS A 56 1.251 5.104 -5.684 1.00 0.00 O ATOM 874 CB CYS A 56 -1.752 5.611 -4.673 1.00 0.00 C ATOM 875 SG CYS A 56 -1.811 3.894 -5.259 1.00 0.00 S ATOM 0 H CYS A 56 -1.398 7.746 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 56 0.024 5.352 -3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.452 5.726 -3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.093 6.269 -5.472 1.00 0.00 H new ATOM 880 N TYR A 57 0.726 7.243 -6.051 1.00 0.00 N ATOM 881 CA TYR A 57 1.621 7.353 -7.198 1.00 0.00 C ATOM 882 C TYR A 57 3.079 7.171 -6.774 1.00 0.00 C ATOM 883 O TYR A 57 3.950 6.923 -7.605 1.00 0.00 O ATOM 884 CB TYR A 57 1.431 8.692 -7.911 1.00 0.00 C ATOM 885 CG TYR A 57 0.099 8.810 -8.623 1.00 0.00 C ATOM 886 CD1 TYR A 57 -0.058 8.343 -9.922 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.999 9.382 -7.995 1.00 0.00 C ATOM 888 CE1 TYR A 57 -1.273 8.444 -10.574 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.216 9.488 -8.641 1.00 0.00 C ATOM 890 CZ TYR A 57 -2.348 9.017 -9.929 1.00 0.00 C ATOM 891 OH TYR A 57 -3.560 9.118 -10.574 1.00 0.00 O ATOM 0 H TYR A 57 0.230 8.102 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 57 1.369 6.555 -7.897 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.518 9.499 -7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.235 8.827 -8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.782 7.894 -10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.900 9.750 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.379 8.076 -11.584 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.060 9.938 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.212 9.545 -9.980 1.00 0.00 H new ATOM 901 N TYR A 58 3.336 7.294 -5.476 1.00 0.00 N ATOM 902 CA TYR A 58 4.663 7.046 -4.935 1.00 0.00 C ATOM 903 C TYR A 58 4.847 5.564 -4.624 1.00 0.00 C ATOM 904 O TYR A 58 5.838 4.951 -5.021 1.00 0.00 O ATOM 905 CB TYR A 58 4.899 7.864 -3.665 1.00 0.00 C ATOM 906 CG TYR A 58 4.774 9.359 -3.851 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.788 10.094 -4.449 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.645 10.035 -3.414 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.676 11.461 -4.608 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.525 11.400 -3.567 1.00 0.00 C ATOM 911 CZ TYR A 58 4.544 12.108 -4.163 1.00 0.00 C ATOM 912 OH TYR A 58 4.429 13.471 -4.318 1.00 0.00 O ATOM 0 H TYR A 58 2.641 7.564 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 58 5.389 7.349 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.187 7.544 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.895 7.640 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.678 9.589 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.845 9.482 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.471 12.020 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.638 11.910 -3.222 1.00 0.00 H new ATOM 0 HH TYR A 58 3.571 13.771 -3.952 1.00 0.00 H new ATOM 922 N LEU A 59 3.868 4.995 -3.925 1.00 0.00 N ATOM 923 CA LEU A 59 3.930 3.600 -3.483 1.00 0.00 C ATOM 924 C LEU A 59 3.673 2.644 -4.646 1.00 0.00 C ATOM 925 O LEU A 59 3.980 1.453 -4.569 1.00 0.00 O ATOM 926 CB LEU A 59 2.892 3.354 -2.379 1.00 0.00 C ATOM 927 CG LEU A 59 3.030 4.232 -1.128 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.865 3.999 -0.179 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.341 3.950 -0.419 1.00 0.00 C ATOM 0 H LEU A 59 3.015 5.481 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 59 4.931 3.412 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.898 3.507 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.952 2.309 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 59 3.021 5.275 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.981 4.631 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.930 4.247 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.847 2.952 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.420 4.582 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.375 2.902 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.172 4.162 -1.092 1.00 0.00 H new ATOM 941 N GLY A 60 3.104 3.173 -5.714 1.00 0.00 N ATOM 942 CA GLY A 60 2.751 2.360 -6.853 1.00 0.00 C ATOM 943 C GLY A 60 1.288 2.003 -6.825 1.00 0.00 C ATOM 944 O GLY A 60 0.443 2.861 -7.069 1.00 0.00 O ATOM 0 H GLY A 60 2.878 4.163 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.981 2.897 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.352 1.450 -6.856 1.00 0.00 H new ATOM 948 N ALA A 61 0.998 0.732 -6.545 1.00 0.00 N ATOM 949 CA ALA A 61 -0.373 0.251 -6.329 1.00 0.00 C ATOM 950 C ALA A 61 -1.335 0.669 -7.442 1.00 0.00 C ATOM 951 O ALA A 61 -2.551 0.700 -7.252 1.00 0.00 O ATOM 952 CB ALA A 61 -0.876 0.730 -4.980 1.00 0.00 C ATOM 0 H ALA A 61 1.707 0.003 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.341 -0.838 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.893 0.372 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.229 0.343 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.867 1.820 -4.954 1.00 0.00 H new ATOM 958 N THR A 62 -0.786 0.978 -8.602 1.00 0.00 N ATOM 959 CA THR A 62 -1.577 1.412 -9.732 1.00 0.00 C ATOM 960 C THR A 62 -1.036 0.806 -11.011 1.00 0.00 C ATOM 961 O THR A 62 0.162 0.534 -11.126 1.00 0.00 O ATOM 962 CB THR A 62 -1.579 2.950 -9.868 1.00 0.00 C ATOM 963 OG1 THR A 62 -0.246 3.456 -9.717 1.00 0.00 O ATOM 964 CG2 THR A 62 -2.497 3.600 -8.841 1.00 0.00 C ATOM 0 H THR A 62 0.217 0.935 -8.784 1.00 0.00 H new ATOM 0 HA THR A 62 -2.600 1.077 -9.561 1.00 0.00 H new ATOM 0 HB THR A 62 -1.955 3.198 -10.861 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.044 3.342 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.474 4.683 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.516 3.240 -8.984 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.159 3.343 -7.837 1.00 0.00 H new ATOM 972 N LYS A 63 -1.917 0.607 -11.967 1.00 0.00 N ATOM 973 CA LYS A 63 -1.540 0.079 -13.263 1.00 0.00 C ATOM 974 C LYS A 63 -1.208 1.246 -14.178 1.00 0.00 C ATOM 975 O LYS A 63 -1.682 1.330 -15.313 1.00 0.00 O ATOM 976 CB LYS A 63 -2.693 -0.752 -13.825 1.00 0.00 C ATOM 977 CG LYS A 63 -3.190 -1.801 -12.844 1.00 0.00 C ATOM 978 CD LYS A 63 -4.496 -2.432 -13.295 1.00 0.00 C ATOM 979 CE LYS A 63 -4.305 -3.325 -14.508 1.00 0.00 C ATOM 980 NZ LYS A 63 -5.555 -4.045 -14.862 1.00 0.00 N ATOM 0 H LYS A 63 -2.913 0.806 -11.870 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.666 -0.567 -13.180 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.517 -0.090 -14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.369 -1.243 -14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.433 -2.577 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.328 -1.344 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.918 -3.016 -12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.215 -1.648 -13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.979 -2.722 -15.356 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.513 -4.047 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.386 -4.645 -15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.852 -4.639 -14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.303 -3.356 -15.078 1.00 0.00 H new ATOM 994 N ASP A 64 -0.408 2.159 -13.648 1.00 0.00 N ATOM 995 CA ASP A 64 -0.103 3.411 -14.323 1.00 0.00 C ATOM 996 C ASP A 64 1.273 3.925 -13.920 1.00 0.00 C ATOM 997 O ASP A 64 2.116 4.204 -14.772 1.00 0.00 O ATOM 998 CB ASP A 64 -1.166 4.458 -13.976 1.00 0.00 C ATOM 999 CG ASP A 64 -0.826 5.837 -14.505 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -1.064 6.094 -15.702 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -0.329 6.673 -13.728 1.00 0.00 O ATOM 0 H ASP A 64 0.047 2.053 -12.741 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.103 3.231 -15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.126 4.144 -14.385 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.281 4.507 -12.893 1.00 0.00 H new ATOM 1006 N ALA A 65 1.500 4.035 -12.619 1.00 0.00 N ATOM 1007 CA ALA A 65 2.741 4.602 -12.114 1.00 0.00 C ATOM 1008 C ALA A 65 3.706 3.525 -11.645 1.00 0.00 C ATOM 1009 O ALA A 65 3.521 2.949 -10.571 1.00 0.00 O ATOM 1010 CB ALA A 65 2.450 5.575 -10.983 1.00 0.00 C ATOM 0 H ALA A 65 0.843 3.740 -11.896 1.00 0.00 H new ATOM 0 HA ALA A 65 3.218 5.136 -12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.386 5.993 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.813 6.380 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.942 5.051 -10.174 1.00 0.00 H new ATOM 1016 N ALA A 66 4.729 3.264 -12.464 1.00 0.00 N ATOM 1017 CA ALA A 66 5.792 2.320 -12.120 1.00 0.00 C ATOM 1018 C ALA A 66 5.206 1.004 -11.633 1.00 0.00 C ATOM 1019 O ALA A 66 5.458 0.581 -10.510 1.00 0.00 O ATOM 1020 CB ALA A 66 6.712 2.921 -11.065 1.00 0.00 C ATOM 0 H ALA A 66 4.842 3.700 -13.379 1.00 0.00 H new ATOM 0 HA ALA A 66 6.378 2.119 -13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.498 2.207 -10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.161 3.836 -11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.136 3.150 -10.168 1.00 0.00 H new ATOM 1026 N THR A 67 4.451 0.349 -12.497 1.00 0.00 N ATOM 1027 CA THR A 67 3.619 -0.773 -12.093 1.00 0.00 C ATOM 1028 C THR A 67 4.436 -1.935 -11.512 1.00 0.00 C ATOM 1029 O THR A 67 3.894 -2.787 -10.810 1.00 0.00 O ATOM 1030 CB THR A 67 2.779 -1.279 -13.275 1.00 0.00 C ATOM 1031 OG1 THR A 67 2.442 -0.179 -14.134 1.00 0.00 O ATOM 1032 CG2 THR A 67 1.499 -1.924 -12.779 1.00 0.00 C ATOM 0 H THR A 67 4.396 0.576 -13.490 1.00 0.00 H new ATOM 0 HA THR A 67 2.963 -0.402 -11.306 1.00 0.00 H new ATOM 0 HB THR A 67 3.364 -2.017 -13.824 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.908 -0.505 -14.888 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.916 -2.277 -13.630 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.743 -2.767 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.917 -1.193 -12.218 1.00 0.00 H new ATOM 1040 N LYS A 68 5.740 -1.964 -11.778 1.00 0.00 N ATOM 1041 CA LYS A 68 6.583 -3.035 -11.261 1.00 0.00 C ATOM 1042 C LYS A 68 6.681 -2.965 -9.735 1.00 0.00 C ATOM 1043 O LYS A 68 6.861 -3.988 -9.077 1.00 0.00 O ATOM 1044 CB LYS A 68 7.983 -2.985 -11.877 1.00 0.00 C ATOM 1045 CG LYS A 68 8.766 -4.278 -11.691 1.00 0.00 C ATOM 1046 CD LYS A 68 10.173 -4.177 -12.259 1.00 0.00 C ATOM 1047 CE LYS A 68 11.042 -3.246 -11.430 1.00 0.00 C ATOM 1048 NZ LYS A 68 11.362 -3.817 -10.093 1.00 0.00 N ATOM 0 H LYS A 68 6.229 -1.268 -12.341 1.00 0.00 H new ATOM 0 HA LYS A 68 6.117 -3.980 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.897 -2.770 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.541 -2.162 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.820 -4.520 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.236 -5.096 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.626 -5.168 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.127 -3.815 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.968 -3.042 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.531 -2.292 -11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.284 -3.073 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.694 -4.584 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.331 -4.194 -10.099 1.00 0.00 H new ATOM 1062 N ILE A 69 6.540 -1.765 -9.169 1.00 0.00 N ATOM 1063 CA ILE A 69 6.619 -1.606 -7.717 1.00 0.00 C ATOM 1064 C ILE A 69 5.410 -2.258 -7.048 1.00 0.00 C ATOM 1065 O ILE A 69 5.456 -2.625 -5.875 1.00 0.00 O ATOM 1066 CB ILE A 69 6.734 -0.120 -7.283 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.023 -0.011 -5.782 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.463 0.640 -7.617 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.373 1.390 -5.327 1.00 0.00 C ATOM 0 H ILE A 69 6.373 -0.901 -9.685 1.00 0.00 H new ATOM 0 HA ILE A 69 7.532 -2.105 -7.391 1.00 0.00 H new ATOM 0 HB ILE A 69 7.564 0.323 -7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.150 -0.356 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.845 -0.681 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.567 1.679 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.288 0.601 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.620 0.187 -7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.564 1.387 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.264 1.731 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.543 2.062 -5.546 1.00 0.00 H new ATOM 1081 N LEU A 70 4.337 -2.427 -7.818 1.00 0.00 N ATOM 1082 CA LEU A 70 3.161 -3.136 -7.339 1.00 0.00 C ATOM 1083 C LEU A 70 3.551 -4.566 -6.997 1.00 0.00 C ATOM 1084 O LEU A 70 3.210 -5.090 -5.933 1.00 0.00 O ATOM 1085 CB LEU A 70 2.067 -3.144 -8.412 1.00 0.00 C ATOM 1086 CG LEU A 70 0.705 -2.605 -7.977 1.00 0.00 C ATOM 1087 CD1 LEU A 70 -0.275 -2.640 -9.137 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.161 -3.398 -6.800 1.00 0.00 C ATOM 0 H LEU A 70 4.261 -2.082 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 70 2.775 -2.632 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.414 -2.557 -9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.936 -4.168 -8.763 1.00 0.00 H new ATOM 0 HG LEU A 70 0.834 -1.570 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.240 -2.253 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.105 -2.025 -9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.394 -3.667 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.809 -2.996 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.049 -4.444 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.852 -3.324 -5.960 1.00 0.00 H new ATOM 1100 N SER A 71 4.296 -5.177 -7.905 1.00 0.00 N ATOM 1101 CA SER A 71 4.781 -6.526 -7.709 1.00 0.00 C ATOM 1102 C SER A 71 5.826 -6.561 -6.603 1.00 0.00 C ATOM 1103 O SER A 71 5.950 -7.553 -5.899 1.00 0.00 O ATOM 1104 CB SER A 71 5.376 -7.066 -9.008 1.00 0.00 C ATOM 1105 OG SER A 71 4.479 -6.882 -10.092 1.00 0.00 O ATOM 0 H SER A 71 4.577 -4.753 -8.789 1.00 0.00 H new ATOM 0 HA SER A 71 3.941 -7.156 -7.415 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.317 -6.559 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.604 -8.126 -8.895 1.00 0.00 H new ATOM 0 HG SER A 71 4.882 -7.234 -10.913 1.00 0.00 H new ATOM 1111 N GLU A 72 6.569 -5.473 -6.445 1.00 0.00 N ATOM 1112 CA GLU A 72 7.586 -5.418 -5.406 1.00 0.00 C ATOM 1113 C GLU A 72 6.938 -5.443 -4.028 1.00 0.00 C ATOM 1114 O GLU A 72 7.170 -6.362 -3.247 1.00 0.00 O ATOM 1115 CB GLU A 72 8.443 -4.155 -5.539 1.00 0.00 C ATOM 1116 CG GLU A 72 9.129 -4.002 -6.886 1.00 0.00 C ATOM 1117 CD GLU A 72 9.920 -5.226 -7.294 1.00 0.00 C ATOM 1118 OE1 GLU A 72 10.471 -5.915 -6.408 1.00 0.00 O ATOM 1119 OE2 GLU A 72 9.990 -5.508 -8.507 1.00 0.00 O ATOM 0 H GLU A 72 6.488 -4.630 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 72 8.227 -6.292 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.813 -3.283 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.202 -4.161 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.378 -3.792 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.796 -3.141 -6.851 1.00 0.00 H new ATOM 1126 N VAL A 73 6.068 -4.470 -3.770 1.00 0.00 N ATOM 1127 CA VAL A 73 5.466 -4.303 -2.449 1.00 0.00 C ATOM 1128 C VAL A 73 4.661 -5.533 -2.045 1.00 0.00 C ATOM 1129 O VAL A 73 4.792 -6.024 -0.924 1.00 0.00 O ATOM 1130 CB VAL A 73 4.558 -3.051 -2.388 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.939 -2.887 -1.005 1.00 0.00 C ATOM 1132 CG2 VAL A 73 5.346 -1.807 -2.769 1.00 0.00 C ATOM 0 H VAL A 73 5.763 -3.783 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 73 6.289 -4.172 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 73 3.748 -3.186 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.306 -1.999 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.337 -3.765 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.730 -2.779 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.694 -0.935 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.178 -1.677 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.732 -1.917 -3.783 1.00 0.00 H new ATOM 1142 N THR A 74 3.862 -6.051 -2.976 1.00 0.00 N ATOM 1143 CA THR A 74 2.984 -7.180 -2.689 1.00 0.00 C ATOM 1144 C THR A 74 3.731 -8.362 -2.077 1.00 0.00 C ATOM 1145 O THR A 74 3.193 -9.039 -1.205 1.00 0.00 O ATOM 1146 CB THR A 74 2.245 -7.663 -3.950 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.156 -7.746 -5.053 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.098 -6.730 -4.300 1.00 0.00 C ATOM 0 H THR A 74 3.806 -5.706 -3.934 1.00 0.00 H new ATOM 0 HA THR A 74 2.262 -6.809 -1.962 1.00 0.00 H new ATOM 0 HB THR A 74 1.835 -8.652 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.286 -6.854 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.593 -7.094 -5.195 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.390 -6.697 -3.472 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.487 -5.729 -4.485 1.00 0.00 H new ATOM 1156 N ARG A 75 4.976 -8.595 -2.498 1.00 0.00 N ATOM 1157 CA ARG A 75 5.695 -9.790 -2.056 1.00 0.00 C ATOM 1158 C ARG A 75 5.935 -9.773 -0.543 1.00 0.00 C ATOM 1159 O ARG A 75 5.520 -10.707 0.147 1.00 0.00 O ATOM 1160 CB ARG A 75 7.004 -9.982 -2.837 1.00 0.00 C ATOM 1161 CG ARG A 75 6.851 -10.876 -4.059 1.00 0.00 C ATOM 1162 CD ARG A 75 5.862 -10.290 -5.048 1.00 0.00 C ATOM 1163 NE ARG A 75 5.503 -11.222 -6.112 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.430 -11.075 -6.885 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.639 -10.015 -6.730 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.145 -11.980 -7.810 1.00 0.00 N ATOM 0 H ARG A 75 5.497 -7.987 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 75 5.062 -10.650 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.377 -9.008 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.755 -10.411 -2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.820 -11.004 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.516 -11.866 -3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.960 -9.988 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.288 -9.389 -5.489 1.00 0.00 H new ATOM 0 HE ARG A 75 6.106 -12.029 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.856 -9.316 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.816 -9.902 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.749 -12.793 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.322 -11.864 -8.401 1.00 0.00 H new ATOM 1180 N PRO A 76 6.581 -8.731 0.018 1.00 0.00 N ATOM 1181 CA PRO A 76 6.703 -8.608 1.469 1.00 0.00 C ATOM 1182 C PRO A 76 5.370 -8.272 2.129 1.00 0.00 C ATOM 1183 O PRO A 76 5.138 -8.617 3.279 1.00 0.00 O ATOM 1184 CB PRO A 76 7.706 -7.470 1.660 1.00 0.00 C ATOM 1185 CG PRO A 76 7.638 -6.677 0.404 1.00 0.00 C ATOM 1186 CD PRO A 76 7.298 -7.652 -0.686 1.00 0.00 C ATOM 0 HA PRO A 76 7.023 -9.542 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.449 -6.860 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.712 -7.855 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.882 -5.895 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.589 -6.183 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.675 -7.193 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.194 -8.025 -1.183 1.00 0.00 H new ATOM 1194 N MET A 77 4.487 -7.622 1.384 1.00 0.00 N ATOM 1195 CA MET A 77 3.181 -7.227 1.907 1.00 0.00 C ATOM 1196 C MET A 77 2.322 -8.454 2.193 1.00 0.00 C ATOM 1197 O MET A 77 1.358 -8.388 2.948 1.00 0.00 O ATOM 1198 CB MET A 77 2.463 -6.327 0.906 1.00 0.00 C ATOM 1199 CG MET A 77 1.721 -5.171 1.545 1.00 0.00 C ATOM 1200 SD MET A 77 2.827 -4.065 2.440 1.00 0.00 S ATOM 1201 CE MET A 77 1.743 -2.673 2.722 1.00 0.00 C ATOM 0 H MET A 77 4.649 -7.355 0.413 1.00 0.00 H new ATOM 0 HA MET A 77 3.339 -6.681 2.837 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.192 -5.932 0.199 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.757 -6.928 0.333 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.194 -4.609 0.774 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.966 -5.559 2.229 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.993 -2.204 3.674 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.865 -1.948 1.917 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.709 -3.017 2.748 1.00 0.00 H new ATOM 1211 N SER A 78 2.686 -9.570 1.573 1.00 0.00 N ATOM 1212 CA SER A 78 1.965 -10.826 1.734 1.00 0.00 C ATOM 1213 C SER A 78 2.218 -11.451 3.105 1.00 0.00 C ATOM 1214 O SER A 78 1.536 -12.394 3.502 1.00 0.00 O ATOM 1215 CB SER A 78 2.367 -11.793 0.622 1.00 0.00 C ATOM 1216 OG SER A 78 2.024 -11.272 -0.646 1.00 0.00 O ATOM 0 H SER A 78 3.488 -9.630 0.946 1.00 0.00 H new ATOM 0 HA SER A 78 0.897 -10.618 1.666 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.440 -11.978 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.872 -12.752 0.772 1.00 0.00 H new ATOM 0 HG SER A 78 2.396 -10.370 -0.741 1.00 0.00 H new ATOM 1222 N VAL A 79 3.212 -10.941 3.811 1.00 0.00 N ATOM 1223 CA VAL A 79 3.556 -11.448 5.125 1.00 0.00 C ATOM 1224 C VAL A 79 3.688 -10.286 6.112 1.00 0.00 C ATOM 1225 O VAL A 79 4.023 -9.172 5.722 1.00 0.00 O ATOM 1226 CB VAL A 79 4.862 -12.290 5.064 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.970 -11.534 4.350 1.00 0.00 C ATOM 1228 CG2 VAL A 79 5.315 -12.725 6.450 1.00 0.00 C ATOM 0 H VAL A 79 3.798 -10.170 3.492 1.00 0.00 H new ATOM 0 HA VAL A 79 2.759 -12.105 5.473 1.00 0.00 H new ATOM 0 HB VAL A 79 4.639 -13.190 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.870 -12.148 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.656 -11.305 3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.179 -10.606 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.230 -13.311 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.503 -11.844 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.537 -13.332 6.913 1.00 0.00 H new ATOM 1238 N HIS A 80 3.366 -10.545 7.377 1.00 0.00 N ATOM 1239 CA HIS A 80 3.463 -9.531 8.433 1.00 0.00 C ATOM 1240 C HIS A 80 4.877 -8.959 8.479 1.00 0.00 C ATOM 1241 O HIS A 80 5.818 -9.641 8.893 1.00 0.00 O ATOM 1242 CB HIS A 80 3.089 -10.141 9.789 1.00 0.00 C ATOM 1243 CG HIS A 80 1.751 -10.814 9.787 1.00 0.00 C ATOM 1244 ND1 HIS A 80 1.480 -11.959 10.500 1.00 0.00 N ATOM 1245 CD2 HIS A 80 0.613 -10.514 9.120 1.00 0.00 C ATOM 1246 CE1 HIS A 80 0.238 -12.336 10.267 1.00 0.00 C ATOM 1247 NE2 HIS A 80 -0.315 -11.477 9.431 1.00 0.00 N ATOM 0 H HIS A 80 3.033 -11.453 7.701 1.00 0.00 H new ATOM 0 HA HIS A 80 2.765 -8.723 8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.852 -10.865 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.092 -9.357 10.546 1.00 0.00 H new ATOM 0 HD1 HIS A 80 2.137 -12.441 11.113 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.462 -9.671 8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.246 -13.204 10.690 1.00 0.00 H new ATOM 1256 N MET A 81 5.023 -7.704 8.066 1.00 0.00 N ATOM 1257 CA MET A 81 6.340 -7.165 7.764 1.00 0.00 C ATOM 1258 C MET A 81 6.622 -5.793 8.380 1.00 0.00 C ATOM 1259 O MET A 81 5.727 -5.084 8.841 1.00 0.00 O ATOM 1260 CB MET A 81 6.516 -7.080 6.242 1.00 0.00 C ATOM 1261 CG MET A 81 7.015 -8.370 5.615 1.00 0.00 C ATOM 1262 SD MET A 81 8.803 -8.562 5.684 1.00 0.00 S ATOM 1263 CE MET A 81 9.291 -7.178 4.674 1.00 0.00 C ATOM 0 H MET A 81 4.253 -7.048 7.934 1.00 0.00 H new ATOM 0 HA MET A 81 7.056 -7.852 8.215 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.562 -6.811 5.789 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.217 -6.278 6.010 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.548 -9.215 6.122 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.694 -8.406 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 81 9.857 -7.537 3.814 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.403 -6.648 4.329 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.912 -6.501 5.260 1.00 0.00 H new ATOM 1273 N PRO A 82 7.930 -5.473 8.380 1.00 0.00 N ATOM 1274 CA PRO A 82 8.557 -4.169 8.686 1.00 0.00 C ATOM 1275 C PRO A 82 7.879 -2.891 8.160 1.00 0.00 C ATOM 1276 O PRO A 82 8.462 -1.832 8.293 1.00 0.00 O ATOM 1277 CB PRO A 82 9.931 -4.299 8.045 1.00 0.00 C ATOM 1278 CG PRO A 82 10.278 -5.726 8.227 1.00 0.00 C ATOM 1279 CD PRO A 82 8.985 -6.483 8.130 1.00 0.00 C ATOM 0 HA PRO A 82 8.514 -4.017 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.907 -4.026 6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.659 -3.647 8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.982 -6.057 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.755 -5.891 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.868 -6.941 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.943 -7.288 8.864 1.00 0.00 H new ATOM 1287 N ALA A 83 6.714 -3.004 7.520 1.00 0.00 N ATOM 1288 CA ALA A 83 6.157 -1.993 6.599 1.00 0.00 C ATOM 1289 C ALA A 83 6.389 -0.513 6.962 1.00 0.00 C ATOM 1290 O ALA A 83 6.536 0.303 6.047 1.00 0.00 O ATOM 1291 CB ALA A 83 4.667 -2.241 6.424 1.00 0.00 C ATOM 0 H ALA A 83 6.111 -3.820 7.626 1.00 0.00 H new ATOM 0 HA ALA A 83 6.718 -2.133 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.252 -1.497 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.510 -3.237 6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.170 -2.167 7.391 1.00 0.00 H new ATOM 1297 N MET A 84 6.440 -0.143 8.238 1.00 0.00 N ATOM 1298 CA MET A 84 6.792 1.241 8.594 1.00 0.00 C ATOM 1299 C MET A 84 8.196 1.585 8.076 1.00 0.00 C ATOM 1300 O MET A 84 8.447 2.675 7.547 1.00 0.00 O ATOM 1301 CB MET A 84 6.704 1.481 10.113 1.00 0.00 C ATOM 1302 CG MET A 84 7.551 0.540 10.945 1.00 0.00 C ATOM 1303 SD MET A 84 6.788 -1.077 11.158 1.00 0.00 S ATOM 1304 CE MET A 84 8.252 -2.090 11.287 1.00 0.00 C ATOM 0 H MET A 84 6.249 -0.758 9.029 1.00 0.00 H new ATOM 0 HA MET A 84 6.066 1.899 8.116 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.007 2.506 10.325 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.664 1.385 10.424 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.525 0.418 10.470 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.727 0.986 11.924 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.968 -3.142 11.281 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.911 -1.887 10.443 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.773 -1.860 12.217 1.00 0.00 H new ATOM 1314 N LYS A 85 9.093 0.619 8.185 1.00 0.00 N ATOM 1315 CA LYS A 85 10.460 0.765 7.724 1.00 0.00 C ATOM 1316 C LYS A 85 10.531 0.544 6.214 1.00 0.00 C ATOM 1317 O LYS A 85 11.522 0.881 5.572 1.00 0.00 O ATOM 1318 CB LYS A 85 11.371 -0.225 8.461 1.00 0.00 C ATOM 1319 CG LYS A 85 12.849 -0.086 8.119 1.00 0.00 C ATOM 1320 CD LYS A 85 13.700 -1.090 8.882 1.00 0.00 C ATOM 1321 CE LYS A 85 13.267 -2.520 8.598 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.134 -3.514 9.281 1.00 0.00 N ATOM 0 H LYS A 85 8.891 -0.292 8.598 1.00 0.00 H new ATOM 0 HA LYS A 85 10.803 1.777 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.244 -0.089 9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.049 -1.240 8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.990 -0.230 7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.183 0.925 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.747 -0.965 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.626 -0.892 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.235 -2.657 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.290 -2.698 7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.802 -4.474 9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.115 -3.402 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.093 -3.362 10.309 1.00 0.00 H new ATOM 1336 N ILE A 86 9.473 -0.016 5.640 1.00 0.00 N ATOM 1337 CA ILE A 86 9.419 -0.213 4.198 1.00 0.00 C ATOM 1338 C ILE A 86 9.230 1.127 3.496 1.00 0.00 C ATOM 1339 O ILE A 86 9.893 1.407 2.498 1.00 0.00 O ATOM 1340 CB ILE A 86 8.306 -1.204 3.778 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.588 -2.587 4.381 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.207 -1.290 2.258 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.604 -3.661 3.963 1.00 0.00 C ATOM 0 H ILE A 86 8.648 -0.339 6.146 1.00 0.00 H new ATOM 0 HA ILE A 86 10.368 -0.654 3.894 1.00 0.00 H new ATOM 0 HB ILE A 86 7.350 -0.842 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.592 -2.898 4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.579 -2.505 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.419 -1.992 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.974 -0.306 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.157 -1.634 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.876 -4.606 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.599 -3.376 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.628 -3.775 2.879 1.00 0.00 H new ATOM 1355 N CYS A 87 8.349 1.970 4.034 1.00 0.00 N ATOM 1356 CA CYS A 87 8.201 3.327 3.509 1.00 0.00 C ATOM 1357 C CYS A 87 9.437 4.140 3.844 1.00 0.00 C ATOM 1358 O CYS A 87 9.832 5.035 3.099 1.00 0.00 O ATOM 1359 CB CYS A 87 6.944 4.016 4.051 1.00 0.00 C ATOM 1360 SG CYS A 87 6.661 5.688 3.368 1.00 0.00 S ATOM 0 H CYS A 87 7.737 1.744 4.818 1.00 0.00 H new ATOM 0 HA CYS A 87 8.090 3.260 2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.077 3.393 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.019 4.086 5.136 1.00 0.00 H new ATOM 1365 N GLU A 88 10.047 3.812 4.968 1.00 0.00 N ATOM 1366 CA GLU A 88 11.330 4.382 5.333 1.00 0.00 C ATOM 1367 C GLU A 88 12.368 4.097 4.239 1.00 0.00 C ATOM 1368 O GLU A 88 13.076 4.995 3.782 1.00 0.00 O ATOM 1369 CB GLU A 88 11.778 3.766 6.645 1.00 0.00 C ATOM 1370 CG GLU A 88 12.952 4.469 7.296 1.00 0.00 C ATOM 1371 CD GLU A 88 12.575 5.847 7.797 1.00 0.00 C ATOM 1372 OE1 GLU A 88 11.744 5.935 8.724 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.084 6.847 7.254 1.00 0.00 O ATOM 0 H GLU A 88 9.672 3.150 5.647 1.00 0.00 H new ATOM 0 HA GLU A 88 11.234 5.462 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.938 3.768 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.045 2.724 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.320 3.868 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.768 4.554 6.579 1.00 0.00 H new ATOM 1380 N LYS A 89 12.441 2.836 3.815 1.00 0.00 N ATOM 1381 CA LYS A 89 13.350 2.429 2.746 1.00 0.00 C ATOM 1382 C LYS A 89 12.970 3.084 1.425 1.00 0.00 C ATOM 1383 O LYS A 89 13.824 3.330 0.571 1.00 0.00 O ATOM 1384 CB LYS A 89 13.338 0.912 2.567 1.00 0.00 C ATOM 1385 CG LYS A 89 13.911 0.144 3.733 1.00 0.00 C ATOM 1386 CD LYS A 89 13.902 -1.339 3.444 1.00 0.00 C ATOM 1387 CE LYS A 89 13.784 -2.140 4.719 1.00 0.00 C ATOM 1388 NZ LYS A 89 13.656 -3.597 4.446 1.00 0.00 N ATOM 0 H LYS A 89 11.879 2.076 4.198 1.00 0.00 H new ATOM 0 HA LYS A 89 14.350 2.752 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.311 0.586 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.901 0.659 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.930 0.476 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.330 0.349 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.070 -1.579 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.817 -1.616 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.660 -1.963 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.917 -1.798 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.577 -4.113 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.806 -3.769 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.495 -3.928 3.929 1.00 0.00 H new ATOM 1402 N LEU A 90 11.686 3.367 1.266 1.00 0.00 N ATOM 1403 CA LEU A 90 11.170 3.958 0.041 1.00 0.00 C ATOM 1404 C LEU A 90 11.703 5.363 -0.184 1.00 0.00 C ATOM 1405 O LEU A 90 11.609 5.894 -1.288 1.00 0.00 O ATOM 1406 CB LEU A 90 9.645 3.966 0.053 1.00 0.00 C ATOM 1407 CG LEU A 90 9.016 2.704 -0.523 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.508 2.735 -0.365 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.401 2.572 -1.986 1.00 0.00 C ATOM 0 H LEU A 90 10.976 3.195 1.978 1.00 0.00 H new ATOM 0 HA LEU A 90 11.517 3.340 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.300 4.096 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.292 4.827 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 90 9.389 1.838 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.080 1.824 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.254 2.803 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.105 3.600 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.952 1.669 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.042 3.442 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.486 2.510 -2.073 1.00 0.00 H new ATOM 1421 N LYS A 91 12.285 5.953 0.850 1.00 0.00 N ATOM 1422 CA LYS A 91 12.877 7.275 0.724 1.00 0.00 C ATOM 1423 C LYS A 91 14.085 7.235 -0.206 1.00 0.00 C ATOM 1424 O LYS A 91 14.513 8.261 -0.737 1.00 0.00 O ATOM 1425 CB LYS A 91 13.299 7.810 2.090 1.00 0.00 C ATOM 1426 CG LYS A 91 12.159 7.913 3.083 1.00 0.00 C ATOM 1427 CD LYS A 91 12.656 8.306 4.465 1.00 0.00 C ATOM 1428 CE LYS A 91 13.299 9.682 4.470 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.795 10.053 5.822 1.00 0.00 N ATOM 0 H LYS A 91 12.359 5.540 1.780 1.00 0.00 H new ATOM 0 HA LYS A 91 12.124 7.941 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.071 7.160 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.747 8.795 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.436 8.649 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.638 6.957 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.822 8.293 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.378 7.568 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.127 9.699 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.575 10.423 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.227 10.998 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.001 10.061 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.505 9.360 6.134 1.00 0.00 H new ATOM 1443 N LYS A 92 14.636 6.039 -0.387 1.00 0.00 N ATOM 1444 CA LYS A 92 15.752 5.836 -1.301 1.00 0.00 C ATOM 1445 C LYS A 92 15.264 5.916 -2.743 1.00 0.00 C ATOM 1446 O LYS A 92 16.040 6.164 -3.664 1.00 0.00 O ATOM 1447 CB LYS A 92 16.410 4.477 -1.045 1.00 0.00 C ATOM 1448 CG LYS A 92 17.040 4.341 0.333 1.00 0.00 C ATOM 1449 CD LYS A 92 18.264 5.235 0.505 1.00 0.00 C ATOM 1450 CE LYS A 92 19.502 4.681 -0.201 1.00 0.00 C ATOM 1451 NZ LYS A 92 19.417 4.780 -1.685 1.00 0.00 N ATOM 0 H LYS A 92 14.325 5.193 0.090 1.00 0.00 H new ATOM 0 HA LYS A 92 16.491 6.619 -1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.662 3.694 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.177 4.308 -1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.301 4.592 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.326 3.302 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.042 6.228 0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.478 5.351 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.383 5.222 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.638 3.637 0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 20.355 5.007 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.091 3.873 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.745 5.530 -1.945 1.00 0.00 H new ATOM 1465 N LEU A 93 13.967 5.701 -2.925 1.00 0.00 N ATOM 1466 CA LEU A 93 13.351 5.779 -4.239 1.00 0.00 C ATOM 1467 C LEU A 93 12.713 7.146 -4.432 1.00 0.00 C ATOM 1468 O LEU A 93 12.898 7.792 -5.466 1.00 0.00 O ATOM 1469 CB LEU A 93 12.302 4.677 -4.425 1.00 0.00 C ATOM 1470 CG LEU A 93 12.848 3.246 -4.511 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.252 2.722 -3.140 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.821 2.332 -5.151 1.00 0.00 C ATOM 0 H LEU A 93 13.319 5.470 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 93 14.129 5.635 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.597 4.728 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.739 4.887 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 93 13.742 3.262 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.634 1.706 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.027 3.363 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.384 2.722 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.220 1.319 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.911 2.331 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.593 2.688 -6.156 1.00 0.00 H new ATOM 1484 N ASP A 94 11.967 7.587 -3.427 1.00 0.00 N ATOM 1485 CA ASP A 94 11.340 8.899 -3.460 1.00 0.00 C ATOM 1486 C ASP A 94 11.369 9.537 -2.076 1.00 0.00 C ATOM 1487 O ASP A 94 10.830 8.991 -1.115 1.00 0.00 O ATOM 1488 CB ASP A 94 9.900 8.803 -3.961 1.00 0.00 C ATOM 1489 CG ASP A 94 9.309 10.168 -4.235 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.910 10.852 -3.277 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.267 10.571 -5.416 1.00 0.00 O ATOM 0 H ASP A 94 11.782 7.053 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 94 11.905 9.525 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.871 8.205 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.291 8.285 -3.220 1.00 0.00 H new ATOM 1496 N SER A 95 12.020 10.684 -1.982 1.00 0.00 N ATOM 1497 CA SER A 95 12.177 11.380 -0.712 1.00 0.00 C ATOM 1498 C SER A 95 10.985 12.298 -0.420 1.00 0.00 C ATOM 1499 O SER A 95 10.803 12.764 0.707 1.00 0.00 O ATOM 1500 CB SER A 95 13.477 12.180 -0.737 1.00 0.00 C ATOM 1501 OG SER A 95 14.559 11.357 -1.150 1.00 0.00 O ATOM 0 H SER A 95 12.452 11.157 -2.775 1.00 0.00 H new ATOM 0 HA SER A 95 12.216 10.640 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.377 13.027 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.679 12.587 0.254 1.00 0.00 H new ATOM 0 HG SER A 95 14.346 10.419 -0.964 1.00 0.00 H new ATOM 1507 N GLN A 96 10.170 12.539 -1.439 1.00 0.00 N ATOM 1508 CA GLN A 96 9.068 13.490 -1.344 1.00 0.00 C ATOM 1509 C GLN A 96 7.883 12.872 -0.601 1.00 0.00 C ATOM 1510 O GLN A 96 7.075 13.584 -0.002 1.00 0.00 O ATOM 1511 CB GLN A 96 8.665 13.928 -2.756 1.00 0.00 C ATOM 1512 CG GLN A 96 7.672 15.076 -2.809 1.00 0.00 C ATOM 1513 CD GLN A 96 7.515 15.618 -4.217 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.239 16.523 -4.627 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.575 15.071 -4.970 1.00 0.00 N ATOM 0 H GLN A 96 10.252 12.085 -2.349 1.00 0.00 H new ATOM 0 HA GLN A 96 9.388 14.364 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.563 14.218 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.237 13.072 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.704 14.737 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.004 15.875 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.993 14.322 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.432 15.399 -5.925 1.00 0.00 H new ATOM 1524 N ILE A 97 7.812 11.542 -0.632 1.00 0.00 N ATOM 1525 CA ILE A 97 6.756 10.775 0.039 1.00 0.00 C ATOM 1526 C ILE A 97 6.524 11.240 1.478 1.00 0.00 C ATOM 1527 O ILE A 97 5.383 11.398 1.923 1.00 0.00 O ATOM 1528 CB ILE A 97 7.116 9.269 0.079 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.353 8.730 -1.332 1.00 0.00 C ATOM 1530 CG2 ILE A 97 6.023 8.466 0.778 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.772 7.275 -1.366 1.00 0.00 C ATOM 0 H ILE A 97 8.489 10.960 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 97 5.847 10.940 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 97 8.039 9.160 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.440 8.850 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.122 9.332 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.299 7.412 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.905 8.825 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.083 8.587 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.922 6.964 -2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.702 7.151 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.994 6.662 -0.911 1.00 0.00 H new ATOM 1543 N CYS A 98 7.611 11.478 2.191 1.00 0.00 N ATOM 1544 CA CYS A 98 7.552 11.690 3.629 1.00 0.00 C ATOM 1545 C CYS A 98 7.058 13.079 4.010 1.00 0.00 C ATOM 1546 O CYS A 98 6.665 13.305 5.156 1.00 0.00 O ATOM 1547 CB CYS A 98 8.925 11.430 4.240 1.00 0.00 C ATOM 1548 SG CYS A 98 9.605 9.799 3.803 1.00 0.00 S ATOM 0 H CYS A 98 8.550 11.530 1.796 1.00 0.00 H new ATOM 0 HA CYS A 98 6.823 10.985 4.028 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.616 12.205 3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.854 11.508 5.325 1.00 0.00 H new ATOM 1553 N GLU A 99 7.051 14.005 3.066 1.00 0.00 N ATOM 1554 CA GLU A 99 6.652 15.364 3.378 1.00 0.00 C ATOM 1555 C GLU A 99 5.427 15.787 2.580 1.00 0.00 C ATOM 1556 O GLU A 99 5.331 16.919 2.109 1.00 0.00 O ATOM 1557 CB GLU A 99 7.820 16.327 3.177 1.00 0.00 C ATOM 1558 CG GLU A 99 8.944 16.087 4.171 1.00 0.00 C ATOM 1559 CD GLU A 99 9.978 17.188 4.176 1.00 0.00 C ATOM 1560 OE1 GLU A 99 9.694 18.268 4.736 1.00 0.00 O ATOM 1561 OE2 GLU A 99 11.083 16.972 3.642 1.00 0.00 O ATOM 0 H GLU A 99 7.313 13.844 2.093 1.00 0.00 H new ATOM 0 HA GLU A 99 6.368 15.398 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.206 16.220 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.464 17.352 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.521 15.989 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.431 15.140 3.937 1.00 0.00 H new ATOM 1568 N LEU A 100 4.496 14.859 2.426 1.00 0.00 N ATOM 1569 CA LEU A 100 3.175 15.188 1.914 1.00 0.00 C ATOM 1570 C LEU A 100 2.384 15.894 3.011 1.00 0.00 C ATOM 1571 O LEU A 100 1.961 17.037 2.839 1.00 0.00 O ATOM 1572 CB LEU A 100 2.448 13.922 1.445 1.00 0.00 C ATOM 1573 CG LEU A 100 2.491 13.665 -0.063 1.00 0.00 C ATOM 1574 CD1 LEU A 100 3.901 13.322 -0.511 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.522 12.558 -0.441 1.00 0.00 C ATOM 0 H LEU A 100 4.630 13.873 2.648 1.00 0.00 H new ATOM 0 HA LEU A 100 3.270 15.850 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.882 13.063 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.405 13.985 1.757 1.00 0.00 H new ATOM 0 HG LEU A 100 2.187 14.578 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.908 13.143 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.569 14.151 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.240 12.425 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.565 12.388 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.795 11.642 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.510 12.849 -0.160 1.00 0.00 H new ATOM 1587 N LYS A 101 2.223 15.200 4.143 1.00 0.00 N ATOM 1588 CA LYS A 101 1.624 15.766 5.357 1.00 0.00 C ATOM 1589 C LYS A 101 0.134 16.072 5.196 1.00 0.00 C ATOM 1590 O LYS A 101 -0.304 16.671 4.212 1.00 0.00 O ATOM 1591 CB LYS A 101 2.392 17.015 5.794 1.00 0.00 C ATOM 1592 CG LYS A 101 3.832 16.719 6.177 1.00 0.00 C ATOM 1593 CD LYS A 101 3.898 15.788 7.376 1.00 0.00 C ATOM 1594 CE LYS A 101 5.314 15.314 7.647 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.420 14.616 8.956 1.00 0.00 N ATOM 0 H LYS A 101 2.506 14.225 4.243 1.00 0.00 H new ATOM 0 HA LYS A 101 1.701 15.007 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.379 17.745 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.882 17.471 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.351 16.266 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.349 17.650 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.512 16.302 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.254 14.926 7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.632 14.642 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.992 16.167 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.007 13.764 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.856 15.252 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.471 14.343 9.282 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.637 15.648 6.189 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.083 15.822 6.173 1.00 0.00 C ATOM 1611 C TYR A 102 -2.493 17.195 6.678 1.00 0.00 C ATOM 1612 O TYR A 102 -3.186 17.937 5.984 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.765 14.758 7.031 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.635 13.361 6.483 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.462 12.921 5.459 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -1.683 12.486 6.984 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.345 11.645 4.953 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -1.560 11.210 6.481 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.393 10.795 5.465 1.00 0.00 C ATOM 1620 OH TYR A 102 -2.266 9.529 4.955 1.00 0.00 O ATOM 0 H TYR A 102 -0.281 15.178 7.021 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.400 15.721 5.135 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.340 14.786 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.823 15.004 7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.208 13.588 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.029 12.810 7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.997 11.314 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.815 10.538 6.881 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.086 9.022 5.131 1.00 0.00 H new