USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 552 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 28 ASN : amide:sc= -0.151 K(o=-0.16,f=-3.1!) USER MOD Set 1.2: A 30 HIS : no HD1:sc=-0.00706 K(o=-0.16,f=-1.4) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 14 SER OG : rot -160:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.29! C(o=-1.3!,f=-6.4!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -40:sc= -3.63! USER MOD Single : A 35 HIS : no HE2:sc= -5.3! C(o=-5.3!,f=-7.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0262 (180deg=-0.445) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.7) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.18 (180deg=-0.45) USER MOD Single : A 54 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.018) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -39:sc= -0.0489! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 6 7.289 1.870 26.257 1.00 0.00 N ATOM 84 CA VAL A 6 7.105 2.631 27.524 1.00 0.00 C ATOM 85 C VAL A 6 5.649 2.660 27.935 1.00 0.00 C ATOM 86 O VAL A 6 4.776 2.345 27.150 1.00 0.00 O ATOM 87 CB VAL A 6 7.557 4.084 27.303 1.00 0.00 C ATOM 88 CG1 VAL A 6 9.076 4.166 27.417 1.00 0.00 C ATOM 89 CG2 VAL A 6 7.122 4.542 25.909 1.00 0.00 C ATOM 0 HA VAL A 6 7.692 2.143 28.302 1.00 0.00 H new ATOM 0 HB VAL A 6 7.103 4.728 28.056 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.398 5.196 27.260 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.385 3.836 28.409 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.533 3.525 26.663 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.441 5.572 25.748 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.578 3.899 25.156 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.037 4.481 25.828 1.00 0.00 H new ATOM 99 N ILE A 7 5.417 3.045 29.167 1.00 0.00 N ATOM 100 CA ILE A 7 4.020 3.108 29.670 1.00 0.00 C ATOM 101 C ILE A 7 3.639 4.545 29.973 1.00 0.00 C ATOM 102 O ILE A 7 4.002 5.085 30.999 1.00 0.00 O ATOM 103 CB ILE A 7 3.926 2.292 30.959 1.00 0.00 C ATOM 104 CG1 ILE A 7 4.311 0.846 30.681 1.00 0.00 C ATOM 105 CG2 ILE A 7 2.466 2.328 31.455 1.00 0.00 C ATOM 106 CD1 ILE A 7 4.099 0.015 31.947 1.00 0.00 C ATOM 0 H ILE A 7 6.135 3.316 29.839 1.00 0.00 H new ATOM 0 HA ILE A 7 3.345 2.709 28.912 1.00 0.00 H new ATOM 0 HB ILE A 7 4.598 2.710 31.708 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.708 0.447 29.865 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.353 0.789 30.365 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.380 1.750 32.375 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.172 3.360 31.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.813 1.899 30.695 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.374 -1.022 31.752 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.721 0.410 32.750 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.051 0.063 32.243 1.00 0.00 H new ATOM 118 N GLU A 8 2.913 5.140 29.073 1.00 0.00 N ATOM 119 CA GLU A 8 2.497 6.540 29.289 1.00 0.00 C ATOM 120 C GLU A 8 1.319 6.601 30.251 1.00 0.00 C ATOM 121 O GLU A 8 0.246 6.121 29.945 1.00 0.00 O ATOM 122 CB GLU A 8 2.076 7.127 27.935 1.00 0.00 C ATOM 123 CG GLU A 8 2.954 6.516 26.836 1.00 0.00 C ATOM 124 CD GLU A 8 2.830 7.353 25.562 1.00 0.00 C ATOM 125 OE1 GLU A 8 1.720 7.789 25.306 1.00 0.00 O ATOM 126 OE2 GLU A 8 3.854 7.508 24.915 1.00 0.00 O ATOM 0 H GLU A 8 2.593 4.716 28.202 1.00 0.00 H new ATOM 0 HA GLU A 8 3.324 7.107 29.717 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.025 6.912 27.741 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.183 8.212 27.944 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.993 6.482 27.162 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.648 5.488 26.640 1.00 0.00 H new ATOM 133 N LEU A 9 1.546 7.188 31.404 1.00 0.00 N ATOM 134 CA LEU A 9 0.449 7.291 32.407 1.00 0.00 C ATOM 135 C LEU A 9 0.372 8.688 33.003 1.00 0.00 C ATOM 136 O LEU A 9 1.352 9.399 33.058 1.00 0.00 O ATOM 137 CB LEU A 9 0.741 6.294 33.535 1.00 0.00 C ATOM 138 CG LEU A 9 0.082 4.957 33.202 1.00 0.00 C ATOM 139 CD1 LEU A 9 0.473 3.927 34.261 1.00 0.00 C ATOM 140 CD2 LEU A 9 -1.438 5.135 33.204 1.00 0.00 C ATOM 0 H LEU A 9 2.437 7.595 31.688 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.499 7.075 31.915 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.817 6.164 33.653 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.360 6.676 34.482 1.00 0.00 H new ATOM 0 HG LEU A 9 0.411 4.615 32.221 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.005 2.970 34.028 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.556 3.808 34.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.137 4.267 35.241 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.916 4.184 32.967 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.764 5.469 34.189 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.718 5.878 32.457 1.00 0.00 H new ATOM 152 N GLU A 10 -0.803 9.052 33.443 1.00 0.00 N ATOM 153 CA GLU A 10 -0.973 10.395 34.041 1.00 0.00 C ATOM 154 C GLU A 10 -0.636 10.370 35.522 1.00 0.00 C ATOM 155 O GLU A 10 -0.935 9.412 36.210 1.00 0.00 O ATOM 156 CB GLU A 10 -2.441 10.819 33.875 1.00 0.00 C ATOM 157 CG GLU A 10 -2.747 10.997 32.385 1.00 0.00 C ATOM 158 CD GLU A 10 -3.625 9.838 31.908 1.00 0.00 C ATOM 159 OE1 GLU A 10 -4.549 9.522 32.641 1.00 0.00 O ATOM 160 OE2 GLU A 10 -3.323 9.336 30.838 1.00 0.00 O ATOM 0 H GLU A 10 -1.645 8.476 33.412 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.304 11.096 33.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.101 10.066 34.307 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.626 11.750 34.411 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.255 11.947 32.217 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.820 11.026 31.812 1.00 0.00 H new ATOM 167 N GLY A 11 -0.012 11.420 35.991 1.00 0.00 N ATOM 168 CA GLY A 11 0.352 11.471 37.431 1.00 0.00 C ATOM 169 C GLY A 11 0.165 12.887 37.956 1.00 0.00 C ATOM 170 O GLY A 11 -0.261 13.765 37.229 1.00 0.00 O ATOM 0 H GLY A 11 0.258 12.236 35.441 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.269 10.777 37.998 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.387 11.156 37.566 1.00 0.00 H new ATOM 174 N THR A 12 0.481 13.081 39.205 1.00 0.00 N ATOM 175 CA THR A 12 0.329 14.430 39.794 1.00 0.00 C ATOM 176 C THR A 12 1.514 14.762 40.664 1.00 0.00 C ATOM 177 O THR A 12 1.849 14.026 41.566 1.00 0.00 O ATOM 178 CB THR A 12 -0.938 14.451 40.654 1.00 0.00 C ATOM 179 OG1 THR A 12 -1.946 13.869 39.849 1.00 0.00 O ATOM 180 CG2 THR A 12 -1.409 15.893 40.889 1.00 0.00 C ATOM 0 H THR A 12 0.836 12.364 39.838 1.00 0.00 H new ATOM 0 HA THR A 12 0.262 15.164 38.991 1.00 0.00 H new ATOM 0 HB THR A 12 -0.752 13.951 41.604 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.791 13.850 40.345 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.310 15.886 41.502 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.626 16.453 41.401 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.625 16.366 39.931 1.00 0.00 H new ATOM 188 N VAL A 13 2.129 15.868 40.391 1.00 0.00 N ATOM 189 CA VAL A 13 3.306 16.247 41.214 1.00 0.00 C ATOM 190 C VAL A 13 2.913 16.388 42.670 1.00 0.00 C ATOM 191 O VAL A 13 2.023 17.149 43.001 1.00 0.00 O ATOM 192 CB VAL A 13 3.857 17.587 40.725 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.247 17.803 41.325 1.00 0.00 C ATOM 194 CG2 VAL A 13 3.974 17.557 39.210 1.00 0.00 C ATOM 0 H VAL A 13 1.877 16.519 39.648 1.00 0.00 H new ATOM 0 HA VAL A 13 4.061 15.467 41.119 1.00 0.00 H new ATOM 0 HB VAL A 13 3.189 18.393 41.029 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.647 18.757 40.981 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.177 17.810 42.413 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.909 16.997 41.009 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.366 18.510 38.856 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.649 16.754 38.913 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.991 17.385 38.772 1.00 0.00 H new ATOM 204 N SER A 14 3.589 15.651 43.517 1.00 0.00 N ATOM 205 CA SER A 14 3.273 15.721 44.967 1.00 0.00 C ATOM 206 C SER A 14 4.333 16.500 45.747 1.00 0.00 C ATOM 207 O SER A 14 4.031 17.104 46.757 1.00 0.00 O ATOM 208 CB SER A 14 3.217 14.286 45.513 1.00 0.00 C ATOM 209 OG SER A 14 1.843 13.928 45.417 1.00 0.00 O ATOM 0 H SER A 14 4.340 15.009 43.264 1.00 0.00 H new ATOM 0 HA SER A 14 2.321 16.238 45.088 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.845 13.613 44.929 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.570 14.238 46.543 1.00 0.00 H new ATOM 0 HG SER A 14 1.658 13.176 46.018 1.00 0.00 H new ATOM 215 N GLU A 15 5.557 16.480 45.279 1.00 0.00 N ATOM 216 CA GLU A 15 6.609 17.230 46.020 1.00 0.00 C ATOM 217 C GLU A 15 7.783 17.589 45.127 1.00 0.00 C ATOM 218 O GLU A 15 8.106 16.872 44.205 1.00 0.00 O ATOM 219 CB GLU A 15 7.115 16.339 47.161 1.00 0.00 C ATOM 220 CG GLU A 15 8.309 17.015 47.841 1.00 0.00 C ATOM 221 CD GLU A 15 7.922 18.437 48.254 1.00 0.00 C ATOM 222 OE1 GLU A 15 8.799 19.281 48.175 1.00 0.00 O ATOM 223 OE2 GLU A 15 6.772 18.598 48.629 1.00 0.00 O ATOM 0 H GLU A 15 5.865 15.990 44.439 1.00 0.00 H new ATOM 0 HA GLU A 15 6.175 18.157 46.394 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.318 16.169 47.885 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.407 15.363 46.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.616 16.441 48.716 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.161 17.041 47.162 1.00 0.00 H new ATOM 230 N ALA A 16 8.411 18.700 45.428 1.00 0.00 N ATOM 231 CA ALA A 16 9.572 19.132 44.609 1.00 0.00 C ATOM 232 C ALA A 16 10.872 18.570 45.169 1.00 0.00 C ATOM 233 O ALA A 16 11.128 18.659 46.355 1.00 0.00 O ATOM 234 CB ALA A 16 9.644 20.669 44.638 1.00 0.00 C ATOM 0 H ALA A 16 8.167 19.319 46.201 1.00 0.00 H new ATOM 0 HA ALA A 16 9.443 18.764 43.591 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.492 21.005 44.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.724 21.084 44.227 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.767 21.008 45.667 1.00 0.00 H new ATOM 240 N LEU A 17 11.669 17.998 44.295 1.00 0.00 N ATOM 241 CA LEU A 17 12.969 17.414 44.735 1.00 0.00 C ATOM 242 C LEU A 17 14.138 18.059 43.970 1.00 0.00 C ATOM 243 O LEU A 17 13.974 18.530 42.867 1.00 0.00 O ATOM 244 CB LEU A 17 12.944 15.908 44.407 1.00 0.00 C ATOM 245 CG LEU A 17 11.863 15.226 45.248 1.00 0.00 C ATOM 246 CD1 LEU A 17 11.853 13.725 44.932 1.00 0.00 C ATOM 247 CD2 LEU A 17 12.176 15.429 46.730 1.00 0.00 C ATOM 0 H LEU A 17 11.472 17.913 43.298 1.00 0.00 H new ATOM 0 HA LEU A 17 13.105 17.591 45.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.744 15.758 43.346 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.917 15.463 44.614 1.00 0.00 H new ATOM 0 HG LEU A 17 10.889 15.657 45.017 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.085 13.233 45.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.641 13.578 43.873 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.827 13.297 45.170 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.408 14.945 47.334 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.148 14.992 46.960 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.195 16.495 46.955 1.00 0.00 H new ATOM 259 N PRO A 18 15.304 18.083 44.583 1.00 0.00 N ATOM 260 CA PRO A 18 16.478 18.669 43.944 1.00 0.00 C ATOM 261 C PRO A 18 16.838 17.913 42.672 1.00 0.00 C ATOM 262 O PRO A 18 16.141 17.005 42.268 1.00 0.00 O ATOM 263 CB PRO A 18 17.614 18.511 44.977 1.00 0.00 C ATOM 264 CG PRO A 18 17.024 17.743 46.201 1.00 0.00 C ATOM 265 CD PRO A 18 15.519 17.562 45.943 1.00 0.00 C ATOM 0 HA PRO A 18 16.304 19.707 43.662 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.452 17.962 44.546 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.995 19.486 45.282 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.513 16.776 46.320 1.00 0.00 H new ATOM 0 HG3 PRO A 18 17.192 18.301 47.122 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.229 16.514 46.015 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.924 18.109 46.674 1.00 0.00 H new ATOM 273 N ASN A 19 17.915 18.312 42.064 1.00 0.00 N ATOM 274 CA ASN A 19 18.355 17.641 40.818 1.00 0.00 C ATOM 275 C ASN A 19 17.257 17.639 39.745 1.00 0.00 C ATOM 276 O ASN A 19 17.064 16.657 39.057 1.00 0.00 O ATOM 277 CB ASN A 19 18.737 16.188 41.156 1.00 0.00 C ATOM 278 CG ASN A 19 19.760 16.191 42.294 1.00 0.00 C ATOM 279 OD1 ASN A 19 20.036 17.211 42.894 1.00 0.00 O ATOM 280 ND2 ASN A 19 20.345 15.073 42.624 1.00 0.00 N ATOM 0 H ASN A 19 18.511 19.077 42.379 1.00 0.00 H new ATOM 0 HA ASN A 19 19.207 18.189 40.415 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.851 15.625 41.448 1.00 0.00 H new ATOM 0 HB3 ASN A 19 19.153 15.695 40.278 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.029 15.059 43.381 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.119 14.212 42.125 1.00 0.00 H new ATOM 287 N ALA A 20 16.564 18.740 39.624 1.00 0.00 N ATOM 288 CA ALA A 20 15.480 18.820 38.603 1.00 0.00 C ATOM 289 C ALA A 20 14.582 17.584 38.629 1.00 0.00 C ATOM 290 O ALA A 20 14.310 16.990 37.599 1.00 0.00 O ATOM 291 CB ALA A 20 16.140 18.921 37.217 1.00 0.00 C ATOM 0 H ALA A 20 16.700 19.582 40.184 1.00 0.00 H new ATOM 0 HA ALA A 20 14.860 19.690 38.820 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.368 18.981 36.450 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.763 19.814 37.175 1.00 0.00 H new ATOM 0 HB3 ALA A 20 16.757 18.039 37.043 1.00 0.00 H new ATOM 297 N MET A 21 14.126 17.227 39.804 1.00 0.00 N ATOM 298 CA MET A 21 13.253 16.050 39.930 1.00 0.00 C ATOM 299 C MET A 21 12.159 16.327 40.945 1.00 0.00 C ATOM 300 O MET A 21 12.196 17.309 41.648 1.00 0.00 O ATOM 301 CB MET A 21 14.099 14.868 40.439 1.00 0.00 C ATOM 302 CG MET A 21 14.837 14.225 39.265 1.00 0.00 C ATOM 303 SD MET A 21 16.328 13.265 39.645 1.00 0.00 S ATOM 304 CE MET A 21 15.512 11.680 39.963 1.00 0.00 C ATOM 0 H MET A 21 14.329 17.711 40.678 1.00 0.00 H new ATOM 0 HA MET A 21 12.806 15.822 38.962 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.814 15.214 41.186 1.00 0.00 H new ATOM 0 HB3 MET A 21 13.459 14.133 40.927 1.00 0.00 H new ATOM 0 HG2 MET A 21 14.138 13.570 38.745 1.00 0.00 H new ATOM 0 HG3 MET A 21 15.113 15.015 38.567 1.00 0.00 H new ATOM 0 HE1 MET A 21 16.260 10.931 40.220 1.00 0.00 H new ATOM 0 HE2 MET A 21 14.811 11.791 40.790 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.973 11.363 39.070 1.00 0.00 H new ATOM 314 N PHE A 22 11.201 15.479 40.983 1.00 0.00 N ATOM 315 CA PHE A 22 10.097 15.679 41.949 1.00 0.00 C ATOM 316 C PHE A 22 9.310 14.388 42.193 1.00 0.00 C ATOM 317 O PHE A 22 9.459 13.416 41.483 1.00 0.00 O ATOM 318 CB PHE A 22 9.131 16.772 41.427 1.00 0.00 C ATOM 319 CG PHE A 22 8.969 16.727 39.898 1.00 0.00 C ATOM 320 CD1 PHE A 22 9.254 15.586 39.159 1.00 0.00 C ATOM 321 CD2 PHE A 22 8.494 17.843 39.236 1.00 0.00 C ATOM 322 CE1 PHE A 22 9.062 15.577 37.796 1.00 0.00 C ATOM 323 CE2 PHE A 22 8.307 17.823 37.877 1.00 0.00 C ATOM 324 CZ PHE A 22 8.589 16.693 37.161 1.00 0.00 C ATOM 0 H PHE A 22 11.124 14.652 40.391 1.00 0.00 H new ATOM 0 HA PHE A 22 10.543 15.989 42.894 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.156 16.646 41.897 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.503 17.753 41.722 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.628 14.703 39.656 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.268 18.740 39.794 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.285 14.687 37.226 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.936 18.702 37.371 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.438 16.681 36.092 1.00 0.00 H new ATOM 334 N LYS A 23 8.512 14.394 43.228 1.00 0.00 N ATOM 335 CA LYS A 23 7.709 13.185 43.535 1.00 0.00 C ATOM 336 C LYS A 23 6.328 13.337 42.923 1.00 0.00 C ATOM 337 O LYS A 23 5.675 14.338 43.131 1.00 0.00 O ATOM 338 CB LYS A 23 7.568 13.053 45.064 1.00 0.00 C ATOM 339 CG LYS A 23 7.823 11.597 45.467 1.00 0.00 C ATOM 340 CD LYS A 23 7.702 11.466 46.988 1.00 0.00 C ATOM 341 CE LYS A 23 8.371 10.164 47.434 1.00 0.00 C ATOM 342 NZ LYS A 23 8.458 10.104 48.921 1.00 0.00 N ATOM 0 H LYS A 23 8.385 15.179 43.867 1.00 0.00 H new ATOM 0 HA LYS A 23 8.199 12.301 43.128 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.277 13.712 45.565 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.571 13.361 45.378 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.105 10.940 44.975 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.815 11.286 45.141 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.174 12.318 47.477 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.653 11.470 47.283 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.803 9.311 47.062 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.370 10.095 47.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.914 9.214 49.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.019 10.908 49.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.501 10.148 49.327 1.00 0.00 H new ATOM 356 N VAL A 24 5.908 12.344 42.178 1.00 0.00 N ATOM 357 CA VAL A 24 4.562 12.419 41.538 1.00 0.00 C ATOM 358 C VAL A 24 3.646 11.321 42.034 1.00 0.00 C ATOM 359 O VAL A 24 4.066 10.202 42.213 1.00 0.00 O ATOM 360 CB VAL A 24 4.751 12.255 40.031 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.395 11.980 39.380 1.00 0.00 C ATOM 362 CG2 VAL A 24 5.335 13.546 39.461 1.00 0.00 C ATOM 0 H VAL A 24 6.436 11.492 41.988 1.00 0.00 H new ATOM 0 HA VAL A 24 4.106 13.377 41.787 1.00 0.00 H new ATOM 0 HB VAL A 24 5.427 11.424 39.829 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.525 11.862 38.304 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.970 11.067 39.796 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.722 12.815 39.575 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.474 13.439 38.385 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.652 14.372 39.658 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.297 13.750 39.932 1.00 0.00 H new ATOM 372 N LYS A 25 2.398 11.672 42.240 1.00 0.00 N ATOM 373 CA LYS A 25 1.413 10.666 42.730 1.00 0.00 C ATOM 374 C LYS A 25 0.466 10.233 41.613 1.00 0.00 C ATOM 375 O LYS A 25 -0.207 11.049 41.013 1.00 0.00 O ATOM 376 CB LYS A 25 0.586 11.309 43.854 1.00 0.00 C ATOM 377 CG LYS A 25 -0.697 10.501 44.063 1.00 0.00 C ATOM 378 CD LYS A 25 -1.296 10.857 45.427 1.00 0.00 C ATOM 379 CE LYS A 25 -1.643 12.349 45.449 1.00 0.00 C ATOM 380 NZ LYS A 25 -2.990 12.567 46.048 1.00 0.00 N ATOM 0 H LYS A 25 2.024 12.609 42.089 1.00 0.00 H new ATOM 0 HA LYS A 25 1.952 9.788 43.086 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.166 11.338 44.777 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.343 12.340 43.598 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.412 10.719 43.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.482 9.434 44.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.189 10.261 45.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.587 10.624 46.221 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.892 12.894 46.022 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.622 12.748 44.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.207 13.584 46.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.706 12.064 45.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.999 12.205 47.023 1.00 0.00 H new ATOM 394 N LEU A 26 0.434 8.950 41.350 1.00 0.00 N ATOM 395 CA LEU A 26 -0.451 8.439 40.289 1.00 0.00 C ATOM 396 C LEU A 26 -1.898 8.385 40.756 1.00 0.00 C ATOM 397 O LEU A 26 -2.190 8.597 41.917 1.00 0.00 O ATOM 398 CB LEU A 26 0.005 7.018 39.949 1.00 0.00 C ATOM 399 CG LEU A 26 1.458 7.070 39.480 1.00 0.00 C ATOM 400 CD1 LEU A 26 2.397 6.986 40.685 1.00 0.00 C ATOM 401 CD2 LEU A 26 1.727 5.889 38.550 1.00 0.00 C ATOM 0 H LEU A 26 0.988 8.242 41.832 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.395 9.101 39.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.088 6.372 40.822 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.629 6.594 39.170 1.00 0.00 H new ATOM 0 HG LEU A 26 1.633 8.007 38.952 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.431 7.024 40.343 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.205 7.824 41.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.224 6.050 41.216 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.763 5.921 38.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.548 4.956 39.085 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.062 5.946 37.688 1.00 0.00 H new ATOM 413 N GLU A 27 -2.780 8.101 39.840 1.00 0.00 N ATOM 414 CA GLU A 27 -4.213 8.028 40.209 1.00 0.00 C ATOM 415 C GLU A 27 -4.483 6.788 41.051 1.00 0.00 C ATOM 416 O GLU A 27 -5.519 6.668 41.673 1.00 0.00 O ATOM 417 CB GLU A 27 -5.046 7.941 38.916 1.00 0.00 C ATOM 418 CG GLU A 27 -6.117 9.033 38.935 1.00 0.00 C ATOM 419 CD GLU A 27 -7.159 8.735 37.856 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.160 9.432 37.862 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.894 7.826 37.085 1.00 0.00 O ATOM 0 H GLU A 27 -2.569 7.918 38.859 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.482 8.913 40.786 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.402 8.062 38.045 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.512 6.959 38.834 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.593 9.075 39.915 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.662 10.008 38.759 1.00 0.00 H new ATOM 428 N ASN A 28 -3.539 5.883 41.054 1.00 0.00 N ATOM 429 CA ASN A 28 -3.720 4.643 41.849 1.00 0.00 C ATOM 430 C ASN A 28 -3.523 4.912 43.336 1.00 0.00 C ATOM 431 O ASN A 28 -3.917 4.117 44.165 1.00 0.00 O ATOM 432 CB ASN A 28 -2.678 3.614 41.389 1.00 0.00 C ATOM 433 CG ASN A 28 -3.244 2.207 41.589 1.00 0.00 C ATOM 434 OD1 ASN A 28 -2.669 1.385 42.277 1.00 0.00 O ATOM 435 ND2 ASN A 28 -4.369 1.889 41.009 1.00 0.00 N ATOM 0 H ASN A 28 -2.659 5.952 40.543 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.733 4.271 41.696 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.429 3.774 40.340 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.755 3.733 41.957 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.761 0.956 41.134 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.856 2.574 40.431 1.00 0.00 H new ATOM 442 N GLY A 29 -2.913 6.032 43.642 1.00 0.00 N ATOM 443 CA GLY A 29 -2.676 6.381 45.079 1.00 0.00 C ATOM 444 C GLY A 29 -1.189 6.277 45.443 1.00 0.00 C ATOM 445 O GLY A 29 -0.771 6.778 46.470 1.00 0.00 O ATOM 0 H GLY A 29 -2.571 6.715 42.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.029 7.394 45.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.256 5.714 45.717 1.00 0.00 H new ATOM 449 N HIS A 30 -0.417 5.633 44.610 1.00 0.00 N ATOM 450 CA HIS A 30 1.031 5.511 44.928 1.00 0.00 C ATOM 451 C HIS A 30 1.813 6.674 44.361 1.00 0.00 C ATOM 452 O HIS A 30 1.252 7.550 43.732 1.00 0.00 O ATOM 453 CB HIS A 30 1.556 4.221 44.308 1.00 0.00 C ATOM 454 CG HIS A 30 0.685 3.078 44.781 1.00 0.00 C ATOM 455 ND1 HIS A 30 -0.307 2.643 44.173 1.00 0.00 N ATOM 456 CD2 HIS A 30 0.767 2.337 45.937 1.00 0.00 C ATOM 457 CE1 HIS A 30 -0.870 1.713 44.809 1.00 0.00 C ATOM 458 NE2 HIS A 30 -0.252 1.437 45.959 1.00 0.00 N ATOM 0 H HIS A 30 -0.720 5.195 43.740 1.00 0.00 H new ATOM 0 HA HIS A 30 1.153 5.505 46.011 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.537 4.288 43.220 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.593 4.054 44.600 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.519 2.452 46.703 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.753 1.197 44.463 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.482 0.738 46.665 1.00 0.00 H new ATOM 466 N GLU A 31 3.101 6.669 44.600 1.00 0.00 N ATOM 467 CA GLU A 31 3.941 7.765 44.084 1.00 0.00 C ATOM 468 C GLU A 31 5.243 7.239 43.517 1.00 0.00 C ATOM 469 O GLU A 31 5.757 6.228 43.955 1.00 0.00 O ATOM 470 CB GLU A 31 4.247 8.738 45.231 1.00 0.00 C ATOM 471 CG GLU A 31 5.102 8.033 46.283 1.00 0.00 C ATOM 472 CD GLU A 31 5.054 8.837 47.584 1.00 0.00 C ATOM 473 OE1 GLU A 31 4.616 9.972 47.500 1.00 0.00 O ATOM 474 OE2 GLU A 31 5.458 8.272 48.586 1.00 0.00 O ATOM 0 H GLU A 31 3.595 5.951 45.129 1.00 0.00 H new ATOM 0 HA GLU A 31 3.400 8.270 43.284 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.771 9.614 44.849 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.319 9.092 45.679 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.733 7.021 46.452 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.131 7.943 45.934 1.00 0.00 H new ATOM 481 N ILE A 32 5.750 7.943 42.542 1.00 0.00 N ATOM 482 CA ILE A 32 7.021 7.524 41.906 1.00 0.00 C ATOM 483 C ILE A 32 7.920 8.730 41.683 1.00 0.00 C ATOM 484 O ILE A 32 7.517 9.852 41.926 1.00 0.00 O ATOM 485 CB ILE A 32 6.687 6.893 40.564 1.00 0.00 C ATOM 486 CG1 ILE A 32 5.802 5.656 40.766 1.00 0.00 C ATOM 487 CG2 ILE A 32 7.991 6.468 39.861 1.00 0.00 C ATOM 488 CD1 ILE A 32 6.656 4.463 41.222 1.00 0.00 C ATOM 0 H ILE A 32 5.334 8.792 42.161 1.00 0.00 H new ATOM 0 HA ILE A 32 7.542 6.816 42.550 1.00 0.00 H new ATOM 0 HB ILE A 32 6.153 7.621 39.954 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.033 5.867 41.509 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.289 5.411 39.836 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.754 6.015 38.898 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.622 7.343 39.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.520 5.745 40.482 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.017 3.591 41.362 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.409 4.244 40.465 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.149 4.707 42.163 1.00 0.00 H new ATOM 500 N LEU A 33 9.121 8.485 41.224 1.00 0.00 N ATOM 501 CA LEU A 33 10.046 9.608 40.985 1.00 0.00 C ATOM 502 C LEU A 33 10.003 9.998 39.524 1.00 0.00 C ATOM 503 O LEU A 33 9.999 9.143 38.662 1.00 0.00 O ATOM 504 CB LEU A 33 11.466 9.152 41.343 1.00 0.00 C ATOM 505 CG LEU A 33 11.681 9.330 42.847 1.00 0.00 C ATOM 506 CD1 LEU A 33 10.485 8.741 43.598 1.00 0.00 C ATOM 507 CD2 LEU A 33 12.952 8.592 43.266 1.00 0.00 C ATOM 0 H LEU A 33 9.490 7.559 41.009 1.00 0.00 H new ATOM 0 HA LEU A 33 9.757 10.464 41.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.608 8.108 41.063 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.200 9.734 40.786 1.00 0.00 H new ATOM 0 HG LEU A 33 11.778 10.390 43.082 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.632 8.865 44.671 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.575 9.258 43.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.395 7.680 43.364 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.109 8.717 44.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.850 7.532 43.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.805 9.001 42.725 1.00 0.00 H new ATOM 519 N CYS A 34 9.967 11.281 39.266 1.00 0.00 N ATOM 520 CA CYS A 34 9.922 11.735 37.849 1.00 0.00 C ATOM 521 C CYS A 34 10.931 12.846 37.582 1.00 0.00 C ATOM 522 O CYS A 34 11.300 13.581 38.474 1.00 0.00 O ATOM 523 CB CYS A 34 8.512 12.270 37.567 1.00 0.00 C ATOM 524 SG CYS A 34 7.138 11.093 37.652 1.00 0.00 S ATOM 0 H CYS A 34 9.967 12.022 39.967 1.00 0.00 H new ATOM 0 HA CYS A 34 10.169 10.893 37.203 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.310 13.074 38.274 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.514 12.714 36.571 1.00 0.00 H new ATOM 0 HG CYS A 34 7.501 9.963 37.122 1.00 0.00 H new ATOM 530 N HIS A 35 11.365 12.931 36.345 1.00 0.00 N ATOM 531 CA HIS A 35 12.356 13.982 35.966 1.00 0.00 C ATOM 532 C HIS A 35 11.765 14.908 34.903 1.00 0.00 C ATOM 533 O HIS A 35 10.909 14.505 34.139 1.00 0.00 O ATOM 534 CB HIS A 35 13.596 13.278 35.381 1.00 0.00 C ATOM 535 CG HIS A 35 14.860 14.066 35.737 1.00 0.00 C ATOM 536 ND1 HIS A 35 15.655 13.767 36.653 1.00 0.00 N ATOM 537 CD2 HIS A 35 15.387 15.198 35.147 1.00 0.00 C ATOM 538 CE1 HIS A 35 16.626 14.581 36.710 1.00 0.00 C ATOM 539 NE2 HIS A 35 16.543 15.535 35.784 1.00 0.00 N ATOM 0 H HIS A 35 11.074 12.317 35.584 1.00 0.00 H new ATOM 0 HA HIS A 35 12.618 14.574 36.843 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.667 12.263 35.773 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.501 13.196 34.298 1.00 0.00 H new ATOM 0 HD1 HIS A 35 15.538 12.968 37.277 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.952 15.731 34.314 1.00 0.00 H new ATOM 0 HE1 HIS A 35 17.429 14.509 37.428 1.00 0.00 H new ATOM 547 N ILE A 36 12.233 16.132 34.869 1.00 0.00 N ATOM 548 CA ILE A 36 11.703 17.088 33.864 1.00 0.00 C ATOM 549 C ILE A 36 12.553 17.119 32.604 1.00 0.00 C ATOM 550 O ILE A 36 13.755 16.951 32.655 1.00 0.00 O ATOM 551 CB ILE A 36 11.690 18.477 34.490 1.00 0.00 C ATOM 552 CG1 ILE A 36 10.489 18.588 35.400 1.00 0.00 C ATOM 553 CG2 ILE A 36 11.567 19.533 33.376 1.00 0.00 C ATOM 554 CD1 ILE A 36 10.677 19.767 36.356 1.00 0.00 C ATOM 0 H ILE A 36 12.952 16.502 35.490 1.00 0.00 H new ATOM 0 HA ILE A 36 10.701 16.770 33.578 1.00 0.00 H new ATOM 0 HB ILE A 36 12.609 18.639 35.054 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.584 18.727 34.809 1.00 0.00 H new ATOM 0 HG13 ILE A 36 10.362 17.665 35.965 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.557 20.529 33.818 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.415 19.446 32.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.641 19.372 32.823 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.810 19.846 37.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.573 19.609 36.957 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.783 20.688 35.782 1.00 0.00 H new ATOM 566 N SER A 37 11.902 17.336 31.489 1.00 0.00 N ATOM 567 CA SER A 37 12.636 17.386 30.207 1.00 0.00 C ATOM 568 C SER A 37 12.934 18.828 29.820 1.00 0.00 C ATOM 569 O SER A 37 12.085 19.688 29.930 1.00 0.00 O ATOM 570 CB SER A 37 11.755 16.751 29.119 1.00 0.00 C ATOM 571 OG SER A 37 11.957 15.355 29.281 1.00 0.00 O ATOM 0 H SER A 37 10.895 17.480 31.420 1.00 0.00 H new ATOM 0 HA SER A 37 13.578 16.847 30.309 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.707 17.020 29.248 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.049 17.083 28.123 1.00 0.00 H new ATOM 0 HG SER A 37 11.423 14.868 28.619 1.00 0.00 H new ATOM 577 N GLY A 38 14.133 19.067 29.372 1.00 0.00 N ATOM 578 CA GLY A 38 14.496 20.454 28.975 1.00 0.00 C ATOM 579 C GLY A 38 13.637 20.916 27.794 1.00 0.00 C ATOM 580 O GLY A 38 13.619 22.087 27.450 1.00 0.00 O ATOM 0 H GLY A 38 14.870 18.371 29.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.356 21.129 29.820 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.551 20.497 28.704 1.00 0.00 H new ATOM 584 N LYS A 39 12.930 19.990 27.201 1.00 0.00 N ATOM 585 CA LYS A 39 12.080 20.361 26.055 1.00 0.00 C ATOM 586 C LYS A 39 10.887 21.181 26.499 1.00 0.00 C ATOM 587 O LYS A 39 10.739 22.322 26.106 1.00 0.00 O ATOM 588 CB LYS A 39 11.582 19.075 25.381 1.00 0.00 C ATOM 589 CG LYS A 39 10.910 19.435 24.053 1.00 0.00 C ATOM 590 CD LYS A 39 9.494 18.860 24.031 1.00 0.00 C ATOM 591 CE LYS A 39 8.968 18.894 22.597 1.00 0.00 C ATOM 592 NZ LYS A 39 9.171 20.245 22.003 1.00 0.00 N ATOM 0 H LYS A 39 12.910 19.005 27.464 1.00 0.00 H new ATOM 0 HA LYS A 39 12.668 20.962 25.362 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.415 18.394 25.209 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.877 18.558 26.032 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.877 20.518 23.931 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.489 19.037 23.220 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.497 17.837 24.407 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.842 19.439 24.685 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.482 18.144 21.996 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.908 18.640 22.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.557 20.354 21.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.933 20.973 22.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.165 20.352 21.716 1.00 0.00 H new ATOM 606 N LEU A 40 10.051 20.603 27.309 1.00 0.00 N ATOM 607 CA LEU A 40 8.878 21.363 27.769 1.00 0.00 C ATOM 608 C LEU A 40 9.344 22.682 28.345 1.00 0.00 C ATOM 609 O LEU A 40 8.587 23.628 28.454 1.00 0.00 O ATOM 610 CB LEU A 40 8.127 20.530 28.837 1.00 0.00 C ATOM 611 CG LEU A 40 8.722 20.775 30.226 1.00 0.00 C ATOM 612 CD1 LEU A 40 7.835 21.768 30.982 1.00 0.00 C ATOM 613 CD2 LEU A 40 8.752 19.453 30.992 1.00 0.00 C ATOM 0 H LEU A 40 10.132 19.650 27.665 1.00 0.00 H new ATOM 0 HA LEU A 40 8.199 21.563 26.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.070 20.795 28.836 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.190 19.470 28.590 1.00 0.00 H new ATOM 0 HG LEU A 40 9.731 21.176 30.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.252 21.948 31.973 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.790 22.708 30.431 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.830 21.357 31.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.174 19.616 31.983 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.738 19.066 31.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.365 18.733 30.451 1.00 0.00 H new ATOM 625 N ARG A 41 10.599 22.713 28.701 1.00 0.00 N ATOM 626 CA ARG A 41 11.168 23.941 29.272 1.00 0.00 C ATOM 627 C ARG A 41 11.134 25.046 28.238 1.00 0.00 C ATOM 628 O ARG A 41 10.624 26.121 28.484 1.00 0.00 O ATOM 629 CB ARG A 41 12.628 23.655 29.639 1.00 0.00 C ATOM 630 CG ARG A 41 12.984 24.401 30.922 1.00 0.00 C ATOM 631 CD ARG A 41 14.483 24.724 30.920 1.00 0.00 C ATOM 632 NE ARG A 41 14.757 25.748 31.966 1.00 0.00 N ATOM 633 CZ ARG A 41 15.992 25.999 32.311 1.00 0.00 C ATOM 634 NH1 ARG A 41 16.619 25.147 33.075 1.00 0.00 N ATOM 635 NH2 ARG A 41 16.559 27.093 31.879 1.00 0.00 N ATOM 0 H ARG A 41 11.249 21.931 28.616 1.00 0.00 H new ATOM 0 HA ARG A 41 10.597 24.249 30.148 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.777 22.584 29.775 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.286 23.968 28.829 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.402 25.320 30.996 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.732 23.794 31.791 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.063 23.822 31.114 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.788 25.094 29.941 1.00 0.00 H new ATOM 0 HE ARG A 41 13.987 26.249 32.409 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.145 24.302 33.393 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.583 25.326 33.354 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.038 27.736 31.282 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.522 27.305 32.138 1.00 0.00 H new ATOM 649 N MET A 42 11.682 24.758 27.088 1.00 0.00 N ATOM 650 CA MET A 42 11.697 25.770 26.016 1.00 0.00 C ATOM 651 C MET A 42 10.280 26.082 25.542 1.00 0.00 C ATOM 652 O MET A 42 10.020 27.153 25.033 1.00 0.00 O ATOM 653 CB MET A 42 12.499 25.214 24.834 1.00 0.00 C ATOM 654 CG MET A 42 12.602 26.289 23.750 1.00 0.00 C ATOM 655 SD MET A 42 13.342 27.874 24.219 1.00 0.00 S ATOM 656 CE MET A 42 15.065 27.320 24.261 1.00 0.00 C ATOM 0 H MET A 42 12.117 23.865 26.854 1.00 0.00 H new ATOM 0 HA MET A 42 12.147 26.685 26.400 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.494 24.914 25.162 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.013 24.323 24.436 1.00 0.00 H new ATOM 0 HG2 MET A 42 13.180 25.879 22.922 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.598 26.484 23.372 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.709 28.156 24.535 1.00 0.00 H new ATOM 0 HE2 MET A 42 15.173 26.523 24.996 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.352 26.948 23.277 1.00 0.00 H new ATOM 666 N ASN A 43 9.385 25.139 25.717 1.00 0.00 N ATOM 667 CA ASN A 43 7.990 25.382 25.277 1.00 0.00 C ATOM 668 C ASN A 43 7.356 26.499 26.090 1.00 0.00 C ATOM 669 O ASN A 43 6.241 26.906 25.829 1.00 0.00 O ATOM 670 CB ASN A 43 7.180 24.097 25.491 1.00 0.00 C ATOM 671 CG ASN A 43 5.932 24.135 24.607 1.00 0.00 C ATOM 672 OD1 ASN A 43 4.845 24.439 25.061 1.00 0.00 O ATOM 673 ND2 ASN A 43 6.043 23.835 23.341 1.00 0.00 N ATOM 0 H ASN A 43 9.563 24.228 26.139 1.00 0.00 H new ATOM 0 HA ASN A 43 7.995 25.671 24.226 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.787 23.225 25.246 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.895 24.003 26.539 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.221 23.856 22.738 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.952 23.579 22.955 1.00 0.00 H new ATOM 680 N PHE A 44 8.077 26.979 27.064 1.00 0.00 N ATOM 681 CA PHE A 44 7.528 28.068 27.902 1.00 0.00 C ATOM 682 C PHE A 44 6.150 27.689 28.439 1.00 0.00 C ATOM 683 O PHE A 44 5.139 27.990 27.833 1.00 0.00 O ATOM 684 CB PHE A 44 7.402 29.327 27.027 1.00 0.00 C ATOM 685 CG PHE A 44 7.291 30.561 27.922 1.00 0.00 C ATOM 686 CD1 PHE A 44 6.102 31.265 27.999 1.00 0.00 C ATOM 687 CD2 PHE A 44 8.376 30.992 28.667 1.00 0.00 C ATOM 688 CE1 PHE A 44 6.001 32.379 28.804 1.00 0.00 C ATOM 689 CE2 PHE A 44 8.272 32.107 29.473 1.00 0.00 C ATOM 690 CZ PHE A 44 7.085 32.799 29.540 1.00 0.00 C ATOM 0 H PHE A 44 9.015 26.664 27.311 1.00 0.00 H new ATOM 0 HA PHE A 44 8.191 28.247 28.748 1.00 0.00 H new ATOM 0 HB2 PHE A 44 8.269 29.416 26.373 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.525 29.250 26.385 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.248 30.939 27.424 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.310 30.452 28.617 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.070 32.923 28.857 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.123 32.436 30.051 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.004 33.672 30.170 1.00 0.00 H new ATOM 700 N ILE A 45 6.137 27.028 29.571 1.00 0.00 N ATOM 701 CA ILE A 45 4.849 26.615 30.174 1.00 0.00 C ATOM 702 C ILE A 45 4.882 26.789 31.690 1.00 0.00 C ATOM 703 O ILE A 45 5.888 26.541 32.321 1.00 0.00 O ATOM 704 CB ILE A 45 4.628 25.134 29.862 1.00 0.00 C ATOM 705 CG1 ILE A 45 4.874 24.871 28.383 1.00 0.00 C ATOM 706 CG2 ILE A 45 3.167 24.771 30.191 1.00 0.00 C ATOM 707 CD1 ILE A 45 4.906 23.359 28.143 1.00 0.00 C ATOM 0 H ILE A 45 6.968 26.760 30.098 1.00 0.00 H new ATOM 0 HA ILE A 45 4.049 27.232 29.765 1.00 0.00 H new ATOM 0 HB ILE A 45 5.317 24.533 30.456 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.088 25.331 27.783 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.817 25.321 28.072 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.996 23.717 29.973 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.974 24.959 31.247 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.496 25.380 29.586 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.082 23.162 27.085 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.707 22.914 28.733 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.952 22.923 28.439 1.00 0.00 H new ATOM 719 N ARG A 46 3.781 27.215 32.249 1.00 0.00 N ATOM 720 CA ARG A 46 3.738 27.408 33.718 1.00 0.00 C ATOM 721 C ARG A 46 3.662 26.065 34.439 1.00 0.00 C ATOM 722 O ARG A 46 2.894 25.202 34.059 1.00 0.00 O ATOM 723 CB ARG A 46 2.482 28.221 34.061 1.00 0.00 C ATOM 724 CG ARG A 46 1.260 27.541 33.437 1.00 0.00 C ATOM 725 CD ARG A 46 0.210 28.602 33.107 1.00 0.00 C ATOM 726 NE ARG A 46 -1.004 27.930 32.565 1.00 0.00 N ATOM 727 CZ ARG A 46 -2.112 28.609 32.452 1.00 0.00 C ATOM 728 NH1 ARG A 46 -3.229 28.065 32.850 1.00 0.00 N ATOM 729 NH2 ARG A 46 -2.065 29.812 31.949 1.00 0.00 N ATOM 0 H ARG A 46 2.918 27.435 31.752 1.00 0.00 H new ATOM 0 HA ARG A 46 4.643 27.926 34.036 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.363 28.291 35.142 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.579 29.239 33.685 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.549 27.004 32.533 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.847 26.805 34.126 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.043 29.172 34.001 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.606 29.310 32.378 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.969 26.950 32.285 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.226 27.123 33.242 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.105 28.581 32.769 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.172 30.206 31.652 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.921 30.358 31.853 1.00 0.00 H new ATOM 743 N ILE A 47 4.465 25.915 35.473 1.00 0.00 N ATOM 744 CA ILE A 47 4.458 24.631 36.238 1.00 0.00 C ATOM 745 C ILE A 47 4.356 24.880 37.740 1.00 0.00 C ATOM 746 O ILE A 47 4.851 25.867 38.245 1.00 0.00 O ATOM 747 CB ILE A 47 5.768 23.897 35.958 1.00 0.00 C ATOM 748 CG1 ILE A 47 6.004 23.815 34.456 1.00 0.00 C ATOM 749 CG2 ILE A 47 5.657 22.467 36.518 1.00 0.00 C ATOM 750 CD1 ILE A 47 7.449 23.386 34.196 1.00 0.00 C ATOM 0 H ILE A 47 5.117 26.622 35.813 1.00 0.00 H new ATOM 0 HA ILE A 47 3.595 24.043 35.924 1.00 0.00 H new ATOM 0 HB ILE A 47 6.594 24.432 36.426 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.314 23.102 34.006 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.810 24.782 33.992 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.585 21.928 36.326 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.477 22.510 37.592 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.830 21.949 36.032 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.623 23.326 33.122 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.130 24.116 34.633 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.626 22.410 34.647 1.00 0.00 H new ATOM 762 N LEU A 48 3.713 23.971 38.424 1.00 0.00 N ATOM 763 CA LEU A 48 3.559 24.120 39.886 1.00 0.00 C ATOM 764 C LEU A 48 3.248 22.769 40.537 1.00 0.00 C ATOM 765 O LEU A 48 2.636 21.911 39.929 1.00 0.00 O ATOM 766 CB LEU A 48 2.403 25.096 40.150 1.00 0.00 C ATOM 767 CG LEU A 48 1.093 24.468 39.686 1.00 0.00 C ATOM 768 CD1 LEU A 48 -0.064 25.397 40.047 1.00 0.00 C ATOM 769 CD2 LEU A 48 1.125 24.276 38.165 1.00 0.00 C ATOM 0 H LEU A 48 3.290 23.133 38.025 1.00 0.00 H new ATOM 0 HA LEU A 48 4.487 24.499 40.314 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.349 25.334 41.212 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.577 26.034 39.622 1.00 0.00 H new ATOM 0 HG LEU A 48 0.961 23.502 40.173 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.003 24.953 39.718 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.090 25.543 41.127 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.075 26.359 39.555 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.188 23.827 37.835 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.255 25.243 37.679 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.955 23.621 37.898 1.00 0.00 H new ATOM 781 N GLU A 49 3.688 22.599 41.757 1.00 0.00 N ATOM 782 CA GLU A 49 3.431 21.326 42.455 1.00 0.00 C ATOM 783 C GLU A 49 1.944 21.098 42.663 1.00 0.00 C ATOM 784 O GLU A 49 1.174 22.035 42.763 1.00 0.00 O ATOM 785 CB GLU A 49 4.118 21.376 43.830 1.00 0.00 C ATOM 786 CG GLU A 49 3.731 22.679 44.535 1.00 0.00 C ATOM 787 CD GLU A 49 4.479 22.779 45.868 1.00 0.00 C ATOM 788 OE1 GLU A 49 5.348 21.946 46.064 1.00 0.00 O ATOM 789 OE2 GLU A 49 4.139 23.683 46.613 1.00 0.00 O ATOM 0 H GLU A 49 4.213 23.292 42.291 1.00 0.00 H new ATOM 0 HA GLU A 49 3.822 20.511 41.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.817 20.519 44.432 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.200 21.319 43.712 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.975 23.533 43.904 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.655 22.707 44.706 1.00 0.00 H new ATOM 796 N GLY A 50 1.562 19.852 42.729 1.00 0.00 N ATOM 797 CA GLY A 50 0.125 19.539 42.931 1.00 0.00 C ATOM 798 C GLY A 50 -0.596 19.487 41.589 1.00 0.00 C ATOM 799 O GLY A 50 -1.714 19.019 41.498 1.00 0.00 O ATOM 0 H GLY A 50 2.180 19.044 42.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.022 18.583 43.445 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.333 20.295 43.569 1.00 0.00 H new ATOM 803 N ASP A 51 0.059 19.970 40.571 1.00 0.00 N ATOM 804 CA ASP A 51 -0.572 19.955 39.237 1.00 0.00 C ATOM 805 C ASP A 51 -0.450 18.583 38.603 1.00 0.00 C ATOM 806 O ASP A 51 0.366 17.778 39.010 1.00 0.00 O ATOM 807 CB ASP A 51 0.138 20.975 38.344 1.00 0.00 C ATOM 808 CG ASP A 51 -0.751 21.292 37.138 1.00 0.00 C ATOM 809 OD1 ASP A 51 -1.510 22.239 37.260 1.00 0.00 O ATOM 810 OD2 ASP A 51 -0.621 20.568 36.164 1.00 0.00 O ATOM 0 H ASP A 51 0.996 20.370 40.611 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.628 20.203 39.343 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.347 21.885 38.906 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.097 20.579 38.010 1.00 0.00 H new ATOM 815 N LYS A 52 -1.260 18.340 37.612 1.00 0.00 N ATOM 816 CA LYS A 52 -1.212 17.041 36.942 1.00 0.00 C ATOM 817 C LYS A 52 -0.268 17.051 35.778 1.00 0.00 C ATOM 818 O LYS A 52 -0.034 18.070 35.160 1.00 0.00 O ATOM 819 CB LYS A 52 -2.621 16.694 36.441 1.00 0.00 C ATOM 820 CG LYS A 52 -3.580 16.631 37.631 1.00 0.00 C ATOM 821 CD LYS A 52 -5.016 16.517 37.113 1.00 0.00 C ATOM 822 CE LYS A 52 -5.489 15.065 37.238 1.00 0.00 C ATOM 823 NZ LYS A 52 -4.566 14.147 36.512 1.00 0.00 N ATOM 0 H LYS A 52 -1.950 18.996 37.246 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.856 16.299 37.657 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.960 17.443 35.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.608 15.737 35.919 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.339 15.776 38.263 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.473 17.523 38.248 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.673 17.175 37.682 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.066 16.839 36.073 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.538 14.782 38.290 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.497 14.969 36.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.017 13.216 36.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.353 14.540 35.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.683 14.043 37.052 1.00 0.00 H new ATOM 837 N VAL A 53 0.259 15.900 35.498 1.00 0.00 N ATOM 838 CA VAL A 53 1.203 15.786 34.378 1.00 0.00 C ATOM 839 C VAL A 53 1.230 14.374 33.815 1.00 0.00 C ATOM 840 O VAL A 53 0.712 13.456 34.419 1.00 0.00 O ATOM 841 CB VAL A 53 2.580 16.095 34.939 1.00 0.00 C ATOM 842 CG1 VAL A 53 2.633 17.555 35.354 1.00 0.00 C ATOM 843 CG2 VAL A 53 2.836 15.208 36.167 1.00 0.00 C ATOM 0 H VAL A 53 0.072 15.033 36.002 1.00 0.00 H new ATOM 0 HA VAL A 53 0.907 16.466 33.579 1.00 0.00 H new ATOM 0 HB VAL A 53 3.339 15.901 34.182 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.619 17.783 35.758 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.441 18.187 34.487 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.877 17.744 36.116 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.824 15.426 36.574 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.079 15.409 36.925 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.787 14.159 35.875 1.00 0.00 H new ATOM 853 N ASN A 54 1.843 14.223 32.668 1.00 0.00 N ATOM 854 CA ASN A 54 1.914 12.878 32.059 1.00 0.00 C ATOM 855 C ASN A 54 3.208 12.213 32.468 1.00 0.00 C ATOM 856 O ASN A 54 4.265 12.727 32.210 1.00 0.00 O ATOM 857 CB ASN A 54 1.875 13.023 30.532 1.00 0.00 C ATOM 858 CG ASN A 54 0.585 12.401 29.998 1.00 0.00 C ATOM 859 OD1 ASN A 54 -0.171 13.028 29.283 1.00 0.00 O ATOM 860 ND2 ASN A 54 0.297 11.172 30.321 1.00 0.00 N ATOM 0 H ASN A 54 2.291 14.970 32.138 1.00 0.00 H new ATOM 0 HA ASN A 54 1.073 12.272 32.395 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.927 14.076 30.254 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.740 12.532 30.086 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.560 10.741 29.974 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.928 10.641 30.921 1.00 0.00 H new ATOM 867 N VAL A 55 3.101 11.067 33.085 1.00 0.00 N ATOM 868 CA VAL A 55 4.320 10.356 33.524 1.00 0.00 C ATOM 869 C VAL A 55 4.649 9.175 32.639 1.00 0.00 C ATOM 870 O VAL A 55 3.859 8.265 32.490 1.00 0.00 O ATOM 871 CB VAL A 55 4.076 9.822 34.940 1.00 0.00 C ATOM 872 CG1 VAL A 55 5.411 9.432 35.573 1.00 0.00 C ATOM 873 CG2 VAL A 55 3.418 10.907 35.785 1.00 0.00 C ATOM 0 H VAL A 55 2.221 10.599 33.300 1.00 0.00 H new ATOM 0 HA VAL A 55 5.151 11.059 33.479 1.00 0.00 H new ATOM 0 HB VAL A 55 3.424 8.950 34.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.239 9.052 36.580 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.888 8.659 34.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.060 10.306 35.621 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.244 10.528 36.792 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.072 11.778 35.833 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.467 11.192 35.335 1.00 0.00 H new ATOM 883 N GLU A 56 5.818 9.218 32.069 1.00 0.00 N ATOM 884 CA GLU A 56 6.250 8.118 31.188 1.00 0.00 C ATOM 885 C GLU A 56 7.212 7.231 31.957 1.00 0.00 C ATOM 886 O GLU A 56 8.236 7.692 32.428 1.00 0.00 O ATOM 887 CB GLU A 56 6.974 8.716 29.973 1.00 0.00 C ATOM 888 CG GLU A 56 7.250 7.605 28.959 1.00 0.00 C ATOM 889 CD GLU A 56 8.222 8.119 27.896 1.00 0.00 C ATOM 890 OE1 GLU A 56 8.077 9.280 27.547 1.00 0.00 O ATOM 891 OE2 GLU A 56 9.052 7.323 27.491 1.00 0.00 O ATOM 0 H GLU A 56 6.492 9.975 32.180 1.00 0.00 H new ATOM 0 HA GLU A 56 5.391 7.535 30.857 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.364 9.497 29.519 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.909 9.182 30.284 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.671 6.734 29.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.319 7.284 28.492 1.00 0.00 H new ATOM 898 N LEU A 57 6.870 5.978 32.084 1.00 0.00 N ATOM 899 CA LEU A 57 7.765 5.052 32.828 1.00 0.00 C ATOM 900 C LEU A 57 8.693 4.308 31.884 1.00 0.00 C ATOM 901 O LEU A 57 8.296 3.914 30.799 1.00 0.00 O ATOM 902 CB LEU A 57 6.894 4.028 33.567 1.00 0.00 C ATOM 903 CG LEU A 57 5.894 4.762 34.460 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.638 3.905 34.609 1.00 0.00 C ATOM 905 CD2 LEU A 57 6.519 4.986 35.838 1.00 0.00 C ATOM 0 H LEU A 57 6.019 5.560 31.709 1.00 0.00 H new ATOM 0 HA LEU A 57 8.371 5.633 33.523 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.365 3.399 32.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.520 3.369 34.169 1.00 0.00 H new ATOM 0 HG LEU A 57 5.635 5.723 34.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.919 4.421 35.245 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.197 3.733 33.627 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.901 2.949 35.061 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.809 5.509 36.479 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.770 4.024 36.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.424 5.585 35.734 1.00 0.00 H new ATOM 917 N SER A 58 9.917 4.116 32.319 1.00 0.00 N ATOM 918 CA SER A 58 10.896 3.393 31.455 1.00 0.00 C ATOM 919 C SER A 58 10.796 1.859 31.641 1.00 0.00 C ATOM 920 O SER A 58 10.826 1.372 32.755 1.00 0.00 O ATOM 921 CB SER A 58 12.305 3.826 31.877 1.00 0.00 C ATOM 922 OG SER A 58 12.417 5.156 31.399 1.00 0.00 O ATOM 0 H SER A 58 10.274 4.425 33.223 1.00 0.00 H new ATOM 0 HA SER A 58 10.684 3.632 30.413 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.429 3.780 32.959 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.067 3.180 31.441 1.00 0.00 H new ATOM 0 HG SER A 58 13.299 5.514 31.631 1.00 0.00 H new ATOM 928 N PRO A 59 10.672 1.118 30.535 1.00 0.00 N ATOM 929 CA PRO A 59 10.573 -0.341 30.604 1.00 0.00 C ATOM 930 C PRO A 59 11.876 -0.952 31.117 1.00 0.00 C ATOM 931 O PRO A 59 11.923 -2.113 31.476 1.00 0.00 O ATOM 932 CB PRO A 59 10.333 -0.795 29.150 1.00 0.00 C ATOM 933 CG PRO A 59 10.443 0.469 28.246 1.00 0.00 C ATOM 934 CD PRO A 59 10.591 1.681 29.180 1.00 0.00 C ATOM 0 HA PRO A 59 9.780 -0.655 31.283 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.068 -1.544 28.855 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.350 -1.256 29.048 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.300 0.391 27.577 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.558 0.572 27.618 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.485 2.257 28.939 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.741 2.357 29.085 1.00 0.00 H new ATOM 942 N TYR A 60 12.910 -0.146 31.140 1.00 0.00 N ATOM 943 CA TYR A 60 14.206 -0.624 31.612 1.00 0.00 C ATOM 944 C TYR A 60 14.417 -0.143 33.023 1.00 0.00 C ATOM 945 O TYR A 60 15.332 -0.558 33.707 1.00 0.00 O ATOM 946 CB TYR A 60 15.302 -0.041 30.708 1.00 0.00 C ATOM 947 CG TYR A 60 15.339 -0.824 29.393 1.00 0.00 C ATOM 948 CD1 TYR A 60 15.949 -2.060 29.331 1.00 0.00 C ATOM 949 CD2 TYR A 60 14.760 -0.307 28.252 1.00 0.00 C ATOM 950 CE1 TYR A 60 15.981 -2.767 28.147 1.00 0.00 C ATOM 951 CE2 TYR A 60 14.793 -1.013 27.067 1.00 0.00 C ATOM 952 CZ TYR A 60 15.403 -2.249 27.005 1.00 0.00 C ATOM 953 OH TYR A 60 15.435 -2.956 25.822 1.00 0.00 O ATOM 0 H TYR A 60 12.891 0.830 30.845 1.00 0.00 H new ATOM 0 HA TYR A 60 14.242 -1.713 31.585 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.106 1.013 30.512 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.270 -0.098 31.206 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.405 -2.477 30.217 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.277 0.658 28.287 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.462 -3.733 28.113 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.338 -0.595 26.181 1.00 0.00 H new ATOM 0 HH TYR A 60 14.980 -2.443 25.122 1.00 0.00 H new ATOM 963 N ASP A 61 13.549 0.737 33.429 1.00 0.00 N ATOM 964 CA ASP A 61 13.639 1.285 34.782 1.00 0.00 C ATOM 965 C ASP A 61 12.243 1.585 35.310 1.00 0.00 C ATOM 966 O ASP A 61 11.845 2.728 35.418 1.00 0.00 O ATOM 967 CB ASP A 61 14.453 2.589 34.732 1.00 0.00 C ATOM 968 CG ASP A 61 15.938 2.268 34.909 1.00 0.00 C ATOM 969 OD1 ASP A 61 16.396 2.427 36.028 1.00 0.00 O ATOM 970 OD2 ASP A 61 16.530 1.884 33.914 1.00 0.00 O ATOM 0 H ASP A 61 12.778 1.096 32.866 1.00 0.00 H new ATOM 0 HA ASP A 61 14.123 0.563 35.440 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.290 3.096 33.781 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.120 3.269 35.517 1.00 0.00 H new ATOM 975 N LEU A 62 11.518 0.548 35.627 1.00 0.00 N ATOM 976 CA LEU A 62 10.147 0.752 36.147 1.00 0.00 C ATOM 977 C LEU A 62 10.187 1.335 37.537 1.00 0.00 C ATOM 978 O LEU A 62 9.252 1.202 38.301 1.00 0.00 O ATOM 979 CB LEU A 62 9.434 -0.603 36.192 1.00 0.00 C ATOM 980 CG LEU A 62 9.294 -1.143 34.770 1.00 0.00 C ATOM 981 CD1 LEU A 62 9.289 -2.670 34.812 1.00 0.00 C ATOM 982 CD2 LEU A 62 7.974 -0.650 34.175 1.00 0.00 C ATOM 0 H LEU A 62 11.817 -0.424 35.547 1.00 0.00 H new ATOM 0 HA LEU A 62 9.616 1.444 35.493 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.998 -1.304 36.806 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.452 -0.496 36.652 1.00 0.00 H new ATOM 0 HG LEU A 62 10.126 -0.795 34.158 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.189 -3.062 33.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.223 -3.025 35.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.451 -3.015 35.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.867 -1.032 33.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.144 -1.006 34.786 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.968 0.440 34.155 1.00 0.00 H new ATOM 994 N THR A 63 11.274 1.974 37.832 1.00 0.00 N ATOM 995 CA THR A 63 11.432 2.593 39.169 1.00 0.00 C ATOM 996 C THR A 63 11.279 4.103 39.077 1.00 0.00 C ATOM 997 O THR A 63 10.991 4.762 40.056 1.00 0.00 O ATOM 998 CB THR A 63 12.836 2.266 39.683 1.00 0.00 C ATOM 999 OG1 THR A 63 13.010 0.884 39.439 1.00 0.00 O ATOM 1000 CG2 THR A 63 12.905 2.400 41.210 1.00 0.00 C ATOM 0 H THR A 63 12.066 2.096 37.201 1.00 0.00 H new ATOM 0 HA THR A 63 10.669 2.204 39.843 1.00 0.00 H new ATOM 0 HB THR A 63 13.565 2.924 39.210 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.898 0.607 39.746 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.913 2.162 41.551 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.656 3.422 41.497 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.195 1.711 41.668 1.00 0.00 H new ATOM 1008 N ARG A 64 11.474 4.624 37.891 1.00 0.00 N ATOM 1009 CA ARG A 64 11.347 6.092 37.700 1.00 0.00 C ATOM 1010 C ARG A 64 10.665 6.418 36.372 1.00 0.00 C ATOM 1011 O ARG A 64 10.624 5.602 35.454 1.00 0.00 O ATOM 1012 CB ARG A 64 12.761 6.699 37.664 1.00 0.00 C ATOM 1013 CG ARG A 64 13.412 6.576 39.042 1.00 0.00 C ATOM 1014 CD ARG A 64 14.933 6.593 38.875 1.00 0.00 C ATOM 1015 NE ARG A 64 15.365 7.980 38.547 1.00 0.00 N ATOM 1016 CZ ARG A 64 16.150 8.182 37.524 1.00 0.00 C ATOM 1017 NH1 ARG A 64 17.026 7.267 37.211 1.00 0.00 N ATOM 1018 NH2 ARG A 64 16.031 9.291 36.847 1.00 0.00 N ATOM 0 H ARG A 64 11.715 4.094 37.053 1.00 0.00 H new ATOM 0 HA ARG A 64 10.751 6.499 38.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.368 6.186 36.918 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.710 7.747 37.368 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.094 7.398 39.684 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.096 5.652 39.527 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.417 6.254 39.791 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.233 5.907 38.083 1.00 0.00 H new ATOM 0 HE ARG A 64 15.050 8.765 39.117 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.089 6.411 37.763 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.648 7.407 36.415 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.333 9.983 37.120 1.00 0.00 H new ATOM 0 HH22 ARG A 64 16.636 9.466 36.045 1.00 0.00 H new ATOM 1032 N GLY A 65 10.144 7.607 36.302 1.00 0.00 N ATOM 1033 CA GLY A 65 9.452 8.050 35.062 1.00 0.00 C ATOM 1034 C GLY A 65 9.866 9.487 34.750 1.00 0.00 C ATOM 1035 O GLY A 65 10.891 9.950 35.210 1.00 0.00 O ATOM 0 H GLY A 65 10.167 8.296 37.054 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.711 7.394 34.231 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.371 7.989 35.191 1.00 0.00 H new ATOM 1039 N ARG A 66 9.086 10.166 33.965 1.00 0.00 N ATOM 1040 CA ARG A 66 9.466 11.567 33.647 1.00 0.00 C ATOM 1041 C ARG A 66 8.325 12.338 32.992 1.00 0.00 C ATOM 1042 O ARG A 66 7.617 11.817 32.155 1.00 0.00 O ATOM 1043 CB ARG A 66 10.658 11.538 32.683 1.00 0.00 C ATOM 1044 CG ARG A 66 10.433 10.449 31.638 1.00 0.00 C ATOM 1045 CD ARG A 66 11.109 10.867 30.333 1.00 0.00 C ATOM 1046 NE ARG A 66 11.060 9.728 29.376 1.00 0.00 N ATOM 1047 CZ ARG A 66 10.986 9.971 28.095 1.00 0.00 C ATOM 1048 NH1 ARG A 66 11.800 9.348 27.288 1.00 0.00 N ATOM 1049 NH2 ARG A 66 10.101 10.828 27.665 1.00 0.00 N ATOM 0 H ARG A 66 8.224 9.826 33.539 1.00 0.00 H new ATOM 0 HA ARG A 66 9.716 12.071 34.580 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.771 12.507 32.197 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.580 11.347 33.232 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.842 9.501 31.988 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.366 10.296 31.477 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.606 11.736 29.910 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.143 11.157 30.521 1.00 0.00 H new ATOM 0 HE ARG A 66 11.084 8.767 29.717 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.479 8.684 27.661 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.757 9.525 26.284 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.481 11.296 28.326 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.029 11.030 26.668 1.00 0.00 H new ATOM 1063 N ILE A 67 8.173 13.579 33.391 1.00 0.00 N ATOM 1064 CA ILE A 67 7.094 14.405 32.810 1.00 0.00 C ATOM 1065 C ILE A 67 7.608 15.197 31.634 1.00 0.00 C ATOM 1066 O ILE A 67 8.593 15.903 31.745 1.00 0.00 O ATOM 1067 CB ILE A 67 6.608 15.391 33.864 1.00 0.00 C ATOM 1068 CG1 ILE A 67 5.628 14.707 34.791 1.00 0.00 C ATOM 1069 CG2 ILE A 67 5.879 16.552 33.160 1.00 0.00 C ATOM 1070 CD1 ILE A 67 6.383 13.764 35.709 1.00 0.00 C ATOM 0 H ILE A 67 8.752 14.044 34.091 1.00 0.00 H new ATOM 0 HA ILE A 67 6.289 13.748 32.483 1.00 0.00 H new ATOM 0 HB ILE A 67 7.461 15.759 34.434 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.086 15.449 35.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.887 14.155 34.213 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.526 17.265 33.905 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.565 17.051 32.476 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.029 16.162 32.600 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.681 13.269 36.379 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.905 13.016 35.112 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.107 14.329 36.296 1.00 0.00 H new ATOM 1082 N THR A 68 6.937 15.060 30.529 1.00 0.00 N ATOM 1083 CA THR A 68 7.354 15.790 29.317 1.00 0.00 C ATOM 1084 C THR A 68 6.182 16.574 28.758 1.00 0.00 C ATOM 1085 O THR A 68 6.266 17.145 27.688 1.00 0.00 O ATOM 1086 CB THR A 68 7.822 14.774 28.269 1.00 0.00 C ATOM 1087 OG1 THR A 68 6.640 14.285 27.671 1.00 0.00 O ATOM 1088 CG2 THR A 68 8.456 13.547 28.939 1.00 0.00 C ATOM 0 H THR A 68 6.113 14.469 30.418 1.00 0.00 H new ATOM 0 HA THR A 68 8.161 16.479 29.565 1.00 0.00 H new ATOM 0 HB THR A 68 8.533 15.245 27.590 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.947 14.178 28.356 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.780 12.841 28.174 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.316 13.860 29.531 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.723 13.068 29.588 1.00 0.00 H new ATOM 1096 N TRP A 69 5.101 16.585 29.495 1.00 0.00 N ATOM 1097 CA TRP A 69 3.910 17.320 29.024 1.00 0.00 C ATOM 1098 C TRP A 69 2.883 17.500 30.140 1.00 0.00 C ATOM 1099 O TRP A 69 2.695 16.622 30.960 1.00 0.00 O ATOM 1100 CB TRP A 69 3.261 16.489 27.901 1.00 0.00 C ATOM 1101 CG TRP A 69 3.720 15.020 28.015 1.00 0.00 C ATOM 1102 CD1 TRP A 69 4.041 14.412 29.157 1.00 0.00 C ATOM 1103 CD2 TRP A 69 3.872 14.211 26.998 1.00 0.00 C ATOM 1104 NE1 TRP A 69 4.404 13.180 28.771 1.00 0.00 N ATOM 1105 CE2 TRP A 69 4.323 12.966 27.406 1.00 0.00 C ATOM 1106 CE3 TRP A 69 3.635 14.453 25.659 1.00 0.00 C ATOM 1107 CZ2 TRP A 69 4.536 11.972 26.473 1.00 0.00 C ATOM 1108 CZ3 TRP A 69 3.849 13.456 24.729 1.00 0.00 C ATOM 1109 CH2 TRP A 69 4.299 12.217 25.136 1.00 0.00 C ATOM 0 H TRP A 69 5.000 16.117 30.396 1.00 0.00 H new ATOM 0 HA TRP A 69 4.218 18.307 28.680 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.175 16.548 27.972 1.00 0.00 H new ATOM 0 HB3 TRP A 69 3.539 16.893 26.928 1.00 0.00 H new ATOM 0 HD1 TRP A 69 4.015 14.817 30.158 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.713 12.463 29.427 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.282 15.423 25.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.889 11.001 26.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.664 13.646 23.682 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.466 11.438 24.407 1.00 0.00 H new ATOM 1120 N ARG A 70 2.244 18.648 30.145 1.00 0.00 N ATOM 1121 CA ARG A 70 1.229 18.936 31.168 1.00 0.00 C ATOM 1122 C ARG A 70 -0.092 19.297 30.502 1.00 0.00 C ATOM 1123 O ARG A 70 -0.134 20.153 29.641 1.00 0.00 O ATOM 1124 CB ARG A 70 1.700 20.133 32.010 1.00 0.00 C ATOM 1125 CG ARG A 70 0.676 20.402 33.121 1.00 0.00 C ATOM 1126 CD ARG A 70 0.524 21.914 33.311 1.00 0.00 C ATOM 1127 NE ARG A 70 -0.380 22.174 34.470 1.00 0.00 N ATOM 1128 CZ ARG A 70 -1.548 22.722 34.264 1.00 0.00 C ATOM 1129 NH1 ARG A 70 -2.103 22.599 33.090 1.00 0.00 N ATOM 1130 NH2 ARG A 70 -2.123 23.374 35.239 1.00 0.00 N ATOM 0 H ARG A 70 2.396 19.396 29.469 1.00 0.00 H new ATOM 0 HA ARG A 70 1.090 18.056 31.797 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.679 19.926 32.443 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.811 21.015 31.380 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.285 19.958 32.862 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.001 19.937 34.052 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.498 22.371 33.485 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.116 22.367 32.407 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.088 21.926 35.415 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.625 22.082 32.352 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.015 23.020 32.910 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.660 23.449 36.145 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.035 23.808 35.095 1.00 0.00 H new ATOM 1144 N LYS A 71 -1.147 18.635 30.905 1.00 0.00 N ATOM 1145 CA LYS A 71 -2.472 18.934 30.297 1.00 0.00 C ATOM 1146 C LYS A 71 -2.660 20.435 30.118 1.00 0.00 C ATOM 1147 O LYS A 71 -2.778 21.168 31.079 1.00 0.00 O ATOM 1148 CB LYS A 71 -3.566 18.406 31.235 1.00 0.00 C ATOM 1149 CG LYS A 71 -3.762 16.910 30.983 1.00 0.00 C ATOM 1150 CD LYS A 71 -4.725 16.719 29.809 1.00 0.00 C ATOM 1151 CE LYS A 71 -4.756 15.239 29.421 1.00 0.00 C ATOM 1152 NZ LYS A 71 -4.952 15.088 27.952 1.00 0.00 N ATOM 0 H LYS A 71 -1.146 17.909 31.621 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.531 18.457 29.319 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.286 18.579 32.274 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.500 18.942 31.063 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.804 16.438 30.764 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.159 16.428 31.876 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.724 17.056 30.084 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.407 17.324 28.960 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.824 14.759 29.721 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.561 14.734 29.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.971 14.078 27.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.852 15.528 27.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.170 15.553 27.448 1.00 0.00 H new