USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.54 (180deg=-1.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0731 (180deg=-0.431) USER MOD Single : A 28 SER OG : rot -71:sc= 0.665 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.0017) USER MOD Single : A 30 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 167:sc= -0.032 (180deg=-0.307) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= 0.113 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 49:sc= 0.906 USER MOD Single : A 68 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=0.000999 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.23) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -160:sc= -0.861 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.258 3.593 -3.698 1.00 73.32 N ATOM 178 CA LYS A 13 -0.615 4.157 -4.994 1.00 23.10 C ATOM 179 C LYS A 13 -0.942 3.054 -5.996 1.00 23.21 C ATOM 180 O LYS A 13 -1.761 3.242 -6.896 1.00 40.44 O ATOM 181 CB LYS A 13 0.528 5.023 -5.528 1.00 41.33 C ATOM 182 CG LYS A 13 0.239 6.513 -5.473 1.00 20.02 C ATOM 183 CD LYS A 13 1.494 7.335 -5.719 1.00 61.11 C ATOM 184 CE LYS A 13 1.443 8.040 -7.065 1.00 53.53 C ATOM 185 NZ LYS A 13 2.627 8.919 -7.276 1.00 32.43 N ATOM 0 HA LYS A 13 -1.501 4.777 -4.861 1.00 23.10 H new ATOM 0 HB2 LYS A 13 1.430 4.815 -4.952 1.00 41.33 H new ATOM 0 HB3 LYS A 13 0.736 4.740 -6.560 1.00 41.33 H new ATOM 0 HG2 LYS A 13 -0.515 6.766 -6.219 1.00 20.02 H new ATOM 0 HG3 LYS A 13 -0.179 6.768 -4.499 1.00 20.02 H new ATOM 0 HD2 LYS A 13 1.609 8.073 -4.925 1.00 61.11 H new ATOM 0 HD3 LYS A 13 2.369 6.686 -5.680 1.00 61.11 H new ATOM 0 HE2 LYS A 13 1.395 7.298 -7.862 1.00 53.53 H new ATOM 0 HE3 LYS A 13 0.532 8.636 -7.129 1.00 53.53 H new ATOM 0 HZ1 LYS A 13 2.555 9.382 -8.205 1.00 32.43 H new ATOM 0 HZ2 LYS A 13 2.659 9.643 -6.530 1.00 32.43 H new ATOM 0 HZ3 LYS A 13 3.495 8.347 -7.241 1.00 32.43 H new ATOM 199 N LEU A 14 -0.298 1.904 -5.833 1.00 3.22 N ATOM 200 CA LEU A 14 -0.522 0.769 -6.723 1.00 3.13 C ATOM 201 C LEU A 14 -1.880 0.129 -6.457 1.00 51.24 C ATOM 202 O LEU A 14 -2.624 -0.179 -7.388 1.00 75.03 O ATOM 203 CB LEU A 14 0.588 -0.269 -6.546 1.00 20.44 C ATOM 204 CG LEU A 14 1.839 -0.068 -7.401 1.00 3.32 C ATOM 205 CD1 LEU A 14 1.523 -0.297 -8.871 1.00 43.42 C ATOM 206 CD2 LEU A 14 2.412 1.327 -7.188 1.00 63.10 C ATOM 0 H LEU A 14 0.383 1.732 -5.094 1.00 3.22 H new ATOM 0 HA LEU A 14 -0.509 1.135 -7.750 1.00 3.13 H new ATOM 0 HB2 LEU A 14 0.886 -0.277 -5.498 1.00 20.44 H new ATOM 0 HB3 LEU A 14 0.176 -1.253 -6.767 1.00 20.44 H new ATOM 0 HG LEU A 14 2.588 -0.798 -7.093 1.00 3.32 H new ATOM 0 HD11 LEU A 14 2.425 -0.150 -9.464 1.00 43.42 H new ATOM 0 HD12 LEU A 14 1.159 -1.315 -9.011 1.00 43.42 H new ATOM 0 HD13 LEU A 14 0.758 0.409 -9.193 1.00 43.42 H new ATOM 0 HD21 LEU A 14 3.302 1.453 -7.804 1.00 63.10 H new ATOM 0 HD22 LEU A 14 1.668 2.073 -7.469 1.00 63.10 H new ATOM 0 HD23 LEU A 14 2.676 1.455 -6.138 1.00 63.10 H new ATOM 218 N TYR A 15 -2.197 -0.067 -5.182 1.00 54.44 N ATOM 219 CA TYR A 15 -3.466 -0.671 -4.795 1.00 14.23 C ATOM 220 C TYR A 15 -4.641 0.146 -5.323 1.00 32.45 C ATOM 221 O TYR A 15 -5.504 -0.371 -6.033 1.00 45.33 O ATOM 222 CB TYR A 15 -3.555 -0.788 -3.272 1.00 3.44 C ATOM 223 CG TYR A 15 -4.829 -1.444 -2.788 1.00 65.12 C ATOM 224 CD1 TYR A 15 -4.970 -2.827 -2.804 1.00 5.53 C ATOM 225 CD2 TYR A 15 -5.889 -0.683 -2.316 1.00 34.12 C ATOM 226 CE1 TYR A 15 -6.131 -3.431 -2.363 1.00 74.32 C ATOM 227 CE2 TYR A 15 -7.055 -1.278 -1.872 1.00 43.45 C ATOM 228 CZ TYR A 15 -7.171 -2.652 -1.898 1.00 51.24 C ATOM 229 OH TYR A 15 -8.330 -3.250 -1.458 1.00 43.01 O ATOM 0 H TYR A 15 -1.593 0.184 -4.399 1.00 54.44 H new ATOM 0 HA TYR A 15 -3.514 -1.668 -5.233 1.00 14.23 H new ATOM 0 HB2 TYR A 15 -2.701 -1.360 -2.910 1.00 3.44 H new ATOM 0 HB3 TYR A 15 -3.480 0.208 -2.835 1.00 3.44 H new ATOM 0 HD1 TYR A 15 -4.158 -3.439 -3.167 1.00 5.53 H new ATOM 0 HD2 TYR A 15 -5.801 0.393 -2.295 1.00 34.12 H new ATOM 0 HE1 TYR A 15 -6.225 -4.507 -2.382 1.00 74.32 H new ATOM 0 HE2 TYR A 15 -7.870 -0.671 -1.507 1.00 43.45 H new ATOM 0 HH TYR A 15 -8.962 -2.561 -1.163 1.00 43.01 H new ATOM 239 N LYS A 16 -4.669 1.427 -4.970 1.00 33.54 N ATOM 240 CA LYS A 16 -5.737 2.318 -5.408 1.00 10.24 C ATOM 241 C LYS A 16 -5.744 2.452 -6.927 1.00 15.35 C ATOM 242 O LYS A 16 -6.771 2.772 -7.526 1.00 1.30 O ATOM 243 CB LYS A 16 -5.574 3.697 -4.764 1.00 12.15 C ATOM 244 CG LYS A 16 -4.574 4.588 -5.479 1.00 50.33 C ATOM 245 CD LYS A 16 -3.927 5.578 -4.526 1.00 1.41 C ATOM 246 CE LYS A 16 -3.194 6.680 -5.278 1.00 74.53 C ATOM 247 NZ LYS A 16 -2.509 7.622 -4.352 1.00 5.44 N ATOM 0 H LYS A 16 -3.964 1.871 -4.382 1.00 33.54 H new ATOM 0 HA LYS A 16 -6.688 1.887 -5.095 1.00 10.24 H new ATOM 0 HB2 LYS A 16 -6.543 4.196 -4.744 1.00 12.15 H new ATOM 0 HB3 LYS A 16 -5.259 3.570 -3.728 1.00 12.15 H new ATOM 0 HG2 LYS A 16 -3.804 3.972 -5.943 1.00 50.33 H new ATOM 0 HG3 LYS A 16 -5.076 5.129 -6.281 1.00 50.33 H new ATOM 0 HD2 LYS A 16 -4.690 6.019 -3.885 1.00 1.41 H new ATOM 0 HD3 LYS A 16 -3.228 5.054 -3.875 1.00 1.41 H new ATOM 0 HE2 LYS A 16 -2.461 6.235 -5.951 1.00 74.53 H new ATOM 0 HE3 LYS A 16 -3.902 7.230 -5.897 1.00 74.53 H new ATOM 0 HZ1 LYS A 16 -1.789 8.160 -4.875 1.00 5.44 H new ATOM 0 HZ2 LYS A 16 -3.206 8.279 -3.947 1.00 5.44 H new ATOM 0 HZ3 LYS A 16 -2.053 7.086 -3.586 1.00 5.44 H new ATOM 261 N ASP A 17 -4.594 2.206 -7.544 1.00 2.51 N ATOM 262 CA ASP A 17 -4.469 2.297 -8.994 1.00 22.42 C ATOM 263 C ASP A 17 -5.049 1.057 -9.668 1.00 40.51 C ATOM 264 O ASP A 17 -5.406 1.088 -10.845 1.00 42.44 O ATOM 265 CB ASP A 17 -3.002 2.469 -9.391 1.00 30.34 C ATOM 266 CG ASP A 17 -2.792 2.365 -10.889 1.00 3.13 C ATOM 267 OD1 ASP A 17 -3.289 3.247 -11.620 1.00 5.30 O ATOM 268 OD2 ASP A 17 -2.129 1.404 -11.329 1.00 61.53 O ATOM 0 H ASP A 17 -3.734 1.942 -7.063 1.00 2.51 H new ATOM 0 HA ASP A 17 -5.032 3.168 -9.329 1.00 22.42 H new ATOM 0 HB2 ASP A 17 -2.646 3.439 -9.044 1.00 30.34 H new ATOM 0 HB3 ASP A 17 -2.401 1.710 -8.889 1.00 30.34 H new ATOM 273 N GLY A 18 -5.139 -0.033 -8.913 1.00 55.34 N ATOM 274 CA GLY A 18 -5.677 -1.267 -9.455 1.00 65.14 C ATOM 275 C GLY A 18 -4.659 -2.391 -9.455 1.00 62.24 C ATOM 276 O GLY A 18 -4.536 -3.128 -10.434 1.00 61.10 O ATOM 0 H GLY A 18 -4.849 -0.084 -7.936 1.00 55.34 H new ATOM 0 HA2 GLY A 18 -6.547 -1.568 -8.871 1.00 65.14 H new ATOM 0 HA3 GLY A 18 -6.022 -1.093 -10.474 1.00 65.14 H new ATOM 280 N VAL A 19 -3.925 -2.523 -8.354 1.00 71.33 N ATOM 281 CA VAL A 19 -2.912 -3.565 -8.230 1.00 74.23 C ATOM 282 C VAL A 19 -3.212 -4.485 -7.053 1.00 20.05 C ATOM 283 O VAL A 19 -3.510 -4.039 -5.944 1.00 63.54 O ATOM 284 CB VAL A 19 -1.506 -2.962 -8.052 1.00 70.33 C ATOM 285 CG1 VAL A 19 -0.456 -4.061 -8.005 1.00 51.25 C ATOM 286 CG2 VAL A 19 -1.206 -1.973 -9.169 1.00 31.32 C ATOM 0 H VAL A 19 -4.013 -1.921 -7.535 1.00 71.33 H new ATOM 0 HA VAL A 19 -2.937 -4.143 -9.154 1.00 74.23 H new ATOM 0 HB VAL A 19 -1.477 -2.424 -7.104 1.00 70.33 H new ATOM 0 HG11 VAL A 19 0.531 -3.616 -7.879 1.00 51.25 H new ATOM 0 HG12 VAL A 19 -0.664 -4.727 -7.167 1.00 51.25 H new ATOM 0 HG13 VAL A 19 -0.482 -4.629 -8.935 1.00 51.25 H new ATOM 0 HG21 VAL A 19 -0.209 -1.556 -9.028 1.00 31.32 H new ATOM 0 HG22 VAL A 19 -1.253 -2.485 -10.130 1.00 31.32 H new ATOM 0 HG23 VAL A 19 -1.941 -1.169 -9.150 1.00 31.32 H new ATOM 296 N PRO A 20 -3.131 -5.802 -7.295 1.00 31.33 N ATOM 297 CA PRO A 20 -3.389 -6.813 -6.266 1.00 62.22 C ATOM 298 C PRO A 20 -2.301 -6.844 -5.198 1.00 63.30 C ATOM 299 O PRO A 20 -1.145 -6.516 -5.465 1.00 60.32 O ATOM 300 CB PRO A 20 -3.402 -8.125 -7.054 1.00 63.14 C ATOM 301 CG PRO A 20 -2.565 -7.854 -8.256 1.00 11.33 C ATOM 302 CD PRO A 20 -2.781 -6.404 -8.592 1.00 62.51 C ATOM 0 HA PRO A 20 -4.314 -6.616 -5.724 1.00 62.22 H new ATOM 0 HB2 PRO A 20 -2.993 -8.945 -6.464 1.00 63.14 H new ATOM 0 HB3 PRO A 20 -4.417 -8.408 -7.334 1.00 63.14 H new ATOM 0 HG2 PRO A 20 -1.513 -8.055 -8.053 1.00 11.33 H new ATOM 0 HG3 PRO A 20 -2.857 -8.495 -9.088 1.00 11.33 H new ATOM 0 HD2 PRO A 20 -1.884 -5.952 -9.016 1.00 62.51 H new ATOM 0 HD3 PRO A 20 -3.579 -6.275 -9.323 1.00 62.51 H new ATOM 310 N VAL A 21 -2.679 -7.241 -3.986 1.00 44.25 N ATOM 311 CA VAL A 21 -1.734 -7.316 -2.878 1.00 52.21 C ATOM 312 C VAL A 21 -0.493 -8.110 -3.266 1.00 60.14 C ATOM 313 O VAL A 21 0.635 -7.682 -3.019 1.00 31.34 O ATOM 314 CB VAL A 21 -2.377 -7.963 -1.636 1.00 52.33 C ATOM 315 CG1 VAL A 21 -1.384 -8.011 -0.485 1.00 13.31 C ATOM 316 CG2 VAL A 21 -3.637 -7.210 -1.236 1.00 25.13 C ATOM 0 H VAL A 21 -3.632 -7.515 -3.747 1.00 44.25 H new ATOM 0 HA VAL A 21 -1.446 -6.293 -2.638 1.00 52.21 H new ATOM 0 HB VAL A 21 -2.657 -8.987 -1.884 1.00 52.33 H new ATOM 0 HG11 VAL A 21 -1.856 -8.471 0.383 1.00 13.31 H new ATOM 0 HG12 VAL A 21 -0.514 -8.598 -0.779 1.00 13.31 H new ATOM 0 HG13 VAL A 21 -1.070 -6.998 -0.233 1.00 13.31 H new ATOM 0 HG21 VAL A 21 -4.078 -7.680 -0.357 1.00 25.13 H new ATOM 0 HG22 VAL A 21 -3.385 -6.175 -1.006 1.00 25.13 H new ATOM 0 HG23 VAL A 21 -4.352 -7.235 -2.058 1.00 25.13 H new ATOM 326 N LYS A 22 -0.706 -9.271 -3.878 1.00 34.21 N ATOM 327 CA LYS A 22 0.394 -10.126 -4.304 1.00 65.11 C ATOM 328 C LYS A 22 1.392 -9.347 -5.154 1.00 13.31 C ATOM 329 O LYS A 22 2.602 -9.527 -5.028 1.00 41.52 O ATOM 330 CB LYS A 22 -0.139 -11.324 -5.093 1.00 13.21 C ATOM 331 CG LYS A 22 -0.971 -10.933 -6.302 1.00 33.21 C ATOM 332 CD LYS A 22 -0.132 -10.893 -7.568 1.00 51.44 C ATOM 333 CE LYS A 22 -0.088 -12.252 -8.251 1.00 54.34 C ATOM 334 NZ LYS A 22 1.189 -12.462 -8.987 1.00 73.00 N ATOM 0 H LYS A 22 -1.633 -9.641 -4.090 1.00 34.21 H new ATOM 0 HA LYS A 22 0.907 -10.486 -3.412 1.00 65.11 H new ATOM 0 HB2 LYS A 22 0.702 -11.935 -5.423 1.00 13.21 H new ATOM 0 HB3 LYS A 22 -0.744 -11.944 -4.431 1.00 13.21 H new ATOM 0 HG2 LYS A 22 -1.787 -11.644 -6.428 1.00 33.21 H new ATOM 0 HG3 LYS A 22 -1.423 -9.956 -6.133 1.00 33.21 H new ATOM 0 HD2 LYS A 22 -0.543 -10.153 -8.255 1.00 51.44 H new ATOM 0 HD3 LYS A 22 0.881 -10.574 -7.324 1.00 51.44 H new ATOM 0 HE2 LYS A 22 -0.211 -13.037 -7.505 1.00 54.34 H new ATOM 0 HE3 LYS A 22 -0.925 -12.337 -8.944 1.00 54.34 H new ATOM 0 HZ1 LYS A 22 1.180 -13.399 -9.438 1.00 73.00 H new ATOM 0 HZ2 LYS A 22 1.294 -11.728 -9.716 1.00 73.00 H new ATOM 0 HZ3 LYS A 22 1.986 -12.406 -8.322 1.00 73.00 H new ATOM 348 N GLU A 23 0.875 -8.479 -6.019 1.00 34.12 N ATOM 349 CA GLU A 23 1.722 -7.672 -6.889 1.00 14.51 C ATOM 350 C GLU A 23 2.348 -6.513 -6.116 1.00 61.34 C ATOM 351 O GLU A 23 3.549 -6.261 -6.223 1.00 34.24 O ATOM 352 CB GLU A 23 0.912 -7.132 -8.070 1.00 21.15 C ATOM 353 CG GLU A 23 1.703 -6.209 -8.980 1.00 43.50 C ATOM 354 CD GLU A 23 2.817 -6.929 -9.716 1.00 14.33 C ATOM 355 OE1 GLU A 23 2.634 -8.117 -10.050 1.00 64.14 O ATOM 356 OE2 GLU A 23 3.870 -6.303 -9.955 1.00 41.52 O ATOM 0 H GLU A 23 -0.125 -8.317 -6.135 1.00 34.12 H new ATOM 0 HA GLU A 23 2.521 -8.309 -7.267 1.00 14.51 H new ATOM 0 HB2 GLU A 23 0.536 -7.971 -8.656 1.00 21.15 H new ATOM 0 HB3 GLU A 23 0.043 -6.595 -7.689 1.00 21.15 H new ATOM 0 HG2 GLU A 23 1.028 -5.754 -9.705 1.00 43.50 H new ATOM 0 HG3 GLU A 23 2.128 -5.398 -8.388 1.00 43.50 H new ATOM 363 N ILE A 24 1.527 -5.814 -5.342 1.00 15.15 N ATOM 364 CA ILE A 24 1.998 -4.684 -4.552 1.00 1.40 C ATOM 365 C ILE A 24 3.170 -5.086 -3.662 1.00 42.22 C ATOM 366 O ILE A 24 4.148 -4.350 -3.537 1.00 5.12 O ATOM 367 CB ILE A 24 0.876 -4.104 -3.671 1.00 51.31 C ATOM 368 CG1 ILE A 24 -0.304 -3.659 -4.538 1.00 2.51 C ATOM 369 CG2 ILE A 24 1.401 -2.941 -2.843 1.00 14.33 C ATOM 370 CD1 ILE A 24 -1.618 -3.609 -3.791 1.00 40.10 C ATOM 0 H ILE A 24 0.531 -6.010 -5.245 1.00 15.15 H new ATOM 0 HA ILE A 24 2.325 -3.921 -5.258 1.00 1.40 H new ATOM 0 HB ILE A 24 0.529 -4.881 -2.990 1.00 51.31 H new ATOM 0 HG12 ILE A 24 -0.091 -2.672 -4.948 1.00 2.51 H new ATOM 0 HG13 ILE A 24 -0.401 -4.341 -5.383 1.00 2.51 H new ATOM 0 HG21 ILE A 24 0.596 -2.542 -2.226 1.00 14.33 H new ATOM 0 HG22 ILE A 24 2.212 -3.287 -2.203 1.00 14.33 H new ATOM 0 HG23 ILE A 24 1.771 -2.160 -3.507 1.00 14.33 H new ATOM 0 HD11 ILE A 24 -2.409 -3.286 -4.468 1.00 40.10 H new ATOM 0 HD12 ILE A 24 -1.854 -4.600 -3.404 1.00 40.10 H new ATOM 0 HD13 ILE A 24 -1.539 -2.905 -2.963 1.00 40.10 H new ATOM 382 N ALA A 25 3.064 -6.260 -3.049 1.00 22.32 N ATOM 383 CA ALA A 25 4.117 -6.763 -2.174 1.00 2.41 C ATOM 384 C ALA A 25 5.450 -6.843 -2.910 1.00 45.41 C ATOM 385 O ALA A 25 6.480 -6.402 -2.401 1.00 22.32 O ATOM 386 CB ALA A 25 3.735 -8.127 -1.619 1.00 54.33 C ATOM 0 H ALA A 25 2.260 -6.881 -3.142 1.00 22.32 H new ATOM 0 HA ALA A 25 4.231 -6.065 -1.345 1.00 2.41 H new ATOM 0 HB1 ALA A 25 4.530 -8.490 -0.968 1.00 54.33 H new ATOM 0 HB2 ALA A 25 2.810 -8.042 -1.049 1.00 54.33 H new ATOM 0 HB3 ALA A 25 3.591 -8.827 -2.442 1.00 54.33 H new ATOM 392 N LYS A 26 5.425 -7.410 -4.112 1.00 75.11 N ATOM 393 CA LYS A 26 6.631 -7.548 -4.919 1.00 35.23 C ATOM 394 C LYS A 26 7.098 -6.192 -5.437 1.00 11.22 C ATOM 395 O LYS A 26 8.294 -5.965 -5.621 1.00 22.42 O ATOM 396 CB LYS A 26 6.376 -8.494 -6.095 1.00 63.20 C ATOM 397 CG LYS A 26 5.858 -9.859 -5.676 1.00 72.44 C ATOM 398 CD LYS A 26 6.795 -10.533 -4.687 1.00 55.43 C ATOM 399 CE LYS A 26 8.158 -10.802 -5.307 1.00 32.32 C ATOM 400 NZ LYS A 26 8.046 -11.544 -6.593 1.00 2.11 N ATOM 0 H LYS A 26 4.581 -7.782 -4.549 1.00 75.11 H new ATOM 0 HA LYS A 26 7.415 -7.965 -4.287 1.00 35.23 H new ATOM 0 HB2 LYS A 26 5.656 -8.033 -6.771 1.00 63.20 H new ATOM 0 HB3 LYS A 26 7.302 -8.622 -6.655 1.00 63.20 H new ATOM 0 HG2 LYS A 26 4.870 -9.752 -5.228 1.00 72.44 H new ATOM 0 HG3 LYS A 26 5.742 -10.491 -6.557 1.00 72.44 H new ATOM 0 HD2 LYS A 26 6.913 -9.901 -3.807 1.00 55.43 H new ATOM 0 HD3 LYS A 26 6.356 -11.472 -4.349 1.00 55.43 H new ATOM 0 HE2 LYS A 26 8.673 -9.856 -5.477 1.00 32.32 H new ATOM 0 HE3 LYS A 26 8.768 -11.375 -4.609 1.00 32.32 H new ATOM 0 HZ1 LYS A 26 8.977 -11.928 -6.854 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 7.367 -12.325 -6.485 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 7.716 -10.898 -7.339 1.00 2.11 H new ATOM 414 N ARG A 27 6.147 -5.292 -5.667 1.00 54.23 N ATOM 415 CA ARG A 27 6.462 -3.958 -6.162 1.00 40.14 C ATOM 416 C ARG A 27 7.159 -3.129 -5.088 1.00 0.14 C ATOM 417 O ARG A 27 8.166 -2.473 -5.352 1.00 53.31 O ATOM 418 CB ARG A 27 5.187 -3.248 -6.623 1.00 44.40 C ATOM 419 CG ARG A 27 4.460 -3.969 -7.747 1.00 12.35 C ATOM 420 CD ARG A 27 4.687 -3.285 -9.085 1.00 61.14 C ATOM 421 NE ARG A 27 6.098 -2.988 -9.316 1.00 40.34 N ATOM 422 CZ ARG A 27 6.976 -3.883 -9.753 1.00 64.10 C ATOM 423 NH1 ARG A 27 6.590 -5.126 -10.007 1.00 1.24 N ATOM 424 NH2 ARG A 27 8.244 -3.536 -9.939 1.00 72.43 N ATOM 0 H ARG A 27 5.152 -5.463 -5.518 1.00 54.23 H new ATOM 0 HA ARG A 27 7.139 -4.063 -7.010 1.00 40.14 H new ATOM 0 HB2 ARG A 27 4.512 -3.144 -5.773 1.00 44.40 H new ATOM 0 HB3 ARG A 27 5.441 -2.241 -6.954 1.00 44.40 H new ATOM 0 HG2 ARG A 27 4.805 -5.001 -7.802 1.00 12.35 H new ATOM 0 HG3 ARG A 27 3.392 -4.001 -7.530 1.00 12.35 H new ATOM 0 HD2 ARG A 27 4.315 -3.924 -9.886 1.00 61.14 H new ATOM 0 HD3 ARG A 27 4.111 -2.360 -9.122 1.00 61.14 H new ATOM 0 HE ARG A 27 6.427 -2.040 -9.131 1.00 40.34 H new ATOM 0 HH11 ARG A 27 5.617 -5.396 -9.867 1.00 1.24 H new ATOM 0 HH12 ARG A 27 7.267 -5.812 -10.343 1.00 1.24 H new ATOM 0 HH21 ARG A 27 8.545 -2.581 -9.746 1.00 72.43 H new ATOM 0 HH22 ARG A 27 8.917 -4.225 -10.275 1.00 72.43 H new ATOM 438 N SER A 28 6.615 -3.164 -3.875 1.00 40.45 N ATOM 439 CA SER A 28 7.182 -2.413 -2.761 1.00 30.40 C ATOM 440 C SER A 28 8.209 -3.252 -2.006 1.00 71.33 C ATOM 441 O SER A 28 8.793 -2.801 -1.023 1.00 32.45 O ATOM 442 CB SER A 28 6.074 -1.962 -1.807 1.00 44.52 C ATOM 443 OG SER A 28 5.346 -3.071 -1.311 1.00 34.32 O ATOM 0 H SER A 28 5.783 -3.704 -3.639 1.00 40.45 H new ATOM 0 HA SER A 28 7.684 -1.534 -3.165 1.00 30.40 H new ATOM 0 HB2 SER A 28 6.509 -1.407 -0.976 1.00 44.52 H new ATOM 0 HB3 SER A 28 5.398 -1.282 -2.325 1.00 44.52 H new ATOM 0 HG SER A 28 4.801 -3.453 -2.030 1.00 34.32 H new ATOM 449 N ASN A 29 8.423 -4.477 -2.476 1.00 60.33 N ATOM 450 CA ASN A 29 9.378 -5.381 -1.847 1.00 22.12 C ATOM 451 C ASN A 29 8.990 -5.660 -0.397 1.00 54.12 C ATOM 452 O ASN A 29 9.840 -5.977 0.433 1.00 31.40 O ATOM 453 CB ASN A 29 10.787 -4.788 -1.904 1.00 60.22 C ATOM 454 CG ASN A 29 11.848 -5.843 -2.156 1.00 0.24 C ATOM 455 OD1 ASN A 29 12.377 -6.442 -1.219 1.00 62.13 O ATOM 456 ND2 ASN A 29 12.165 -6.072 -3.425 1.00 22.44 N ATOM 0 H ASN A 29 7.948 -4.866 -3.290 1.00 60.33 H new ATOM 0 HA ASN A 29 9.365 -6.323 -2.396 1.00 22.12 H new ATOM 0 HB2 ASN A 29 10.831 -4.037 -2.693 1.00 60.22 H new ATOM 0 HB3 ASN A 29 11.002 -4.277 -0.965 1.00 60.22 H new ATOM 0 HD21 ASN A 29 12.873 -6.769 -3.656 1.00 22.44 H new ATOM 0 HD22 ASN A 29 11.700 -5.551 -4.169 1.00 22.44 H new ATOM 463 N ASN A 30 7.700 -5.537 -0.102 1.00 21.32 N ATOM 464 CA ASN A 30 7.198 -5.775 1.247 1.00 44.53 C ATOM 465 C ASN A 30 6.463 -7.110 1.326 1.00 51.12 C ATOM 466 O ASN A 30 6.352 -7.829 0.332 1.00 33.04 O ATOM 467 CB ASN A 30 6.266 -4.640 1.674 1.00 61.14 C ATOM 468 CG ASN A 30 6.991 -3.556 2.449 1.00 65.20 C ATOM 469 OD1 ASN A 30 8.000 -3.817 3.106 1.00 41.01 O ATOM 470 ND2 ASN A 30 6.480 -2.334 2.375 1.00 72.02 N ATOM 0 H ASN A 30 6.983 -5.274 -0.778 1.00 21.32 H new ATOM 0 HA ASN A 30 8.051 -5.810 1.925 1.00 44.53 H new ATOM 0 HB2 ASN A 30 5.802 -4.202 0.790 1.00 61.14 H new ATOM 0 HB3 ASN A 30 5.462 -5.046 2.288 1.00 61.14 H new ATOM 0 HD21 ASN A 30 6.925 -1.564 2.875 1.00 72.02 H new ATOM 0 HD22 ASN A 30 5.642 -2.164 1.818 1.00 72.02 H new ATOM 477 N SER A 31 5.963 -7.434 2.514 1.00 52.12 N ATOM 478 CA SER A 31 5.240 -8.683 2.724 1.00 64.11 C ATOM 479 C SER A 31 3.733 -8.450 2.697 1.00 63.03 C ATOM 480 O SER A 31 3.263 -7.332 2.903 1.00 14.32 O ATOM 481 CB SER A 31 5.647 -9.313 4.058 1.00 12.01 C ATOM 482 OG SER A 31 6.387 -10.504 3.856 1.00 41.25 O ATOM 0 H SER A 31 6.045 -6.849 3.346 1.00 52.12 H new ATOM 0 HA SER A 31 5.498 -9.365 1.914 1.00 64.11 H new ATOM 0 HB2 SER A 31 6.244 -8.604 4.631 1.00 12.01 H new ATOM 0 HB3 SER A 31 4.756 -9.530 4.648 1.00 12.01 H new ATOM 0 HG SER A 31 6.636 -10.885 4.724 1.00 41.25 H new ATOM 488 N MET A 32 2.982 -9.515 2.439 1.00 34.34 N ATOM 489 CA MET A 32 1.526 -9.429 2.386 1.00 43.53 C ATOM 490 C MET A 32 0.969 -8.828 3.672 1.00 5.34 C ATOM 491 O MET A 32 -0.062 -8.158 3.660 1.00 51.35 O ATOM 492 CB MET A 32 0.920 -10.813 2.151 1.00 53.31 C ATOM 493 CG MET A 32 0.244 -10.959 0.797 1.00 41.42 C ATOM 494 SD MET A 32 -0.594 -12.543 0.605 1.00 24.42 S ATOM 495 CE MET A 32 0.777 -13.597 0.140 1.00 65.33 C ATOM 0 H MET A 32 3.356 -10.447 2.263 1.00 34.34 H new ATOM 0 HA MET A 32 1.256 -8.777 1.555 1.00 43.53 H new ATOM 0 HB2 MET A 32 1.705 -11.564 2.239 1.00 53.31 H new ATOM 0 HB3 MET A 32 0.192 -11.020 2.935 1.00 53.31 H new ATOM 0 HG2 MET A 32 -0.478 -10.153 0.667 1.00 41.42 H new ATOM 0 HG3 MET A 32 0.990 -10.849 0.010 1.00 41.42 H new ATOM 0 HE1 MET A 32 0.418 -14.614 -0.015 1.00 65.33 H new ATOM 0 HE2 MET A 32 1.225 -13.226 -0.782 1.00 65.33 H new ATOM 0 HE3 MET A 32 1.524 -13.593 0.933 1.00 65.33 H new ATOM 505 N SER A 33 1.659 -9.074 4.782 1.00 42.32 N ATOM 506 CA SER A 33 1.231 -8.561 6.077 1.00 3.04 C ATOM 507 C SER A 33 1.611 -7.092 6.233 1.00 1.30 C ATOM 508 O SER A 33 0.994 -6.355 7.003 1.00 21.11 O ATOM 509 CB SER A 33 1.855 -9.383 7.207 1.00 11.53 C ATOM 510 OG SER A 33 3.250 -9.148 7.298 1.00 44.10 O ATOM 0 H SER A 33 2.517 -9.625 4.809 1.00 42.32 H new ATOM 0 HA SER A 33 0.146 -8.645 6.132 1.00 3.04 H new ATOM 0 HB2 SER A 33 1.378 -9.128 8.153 1.00 11.53 H new ATOM 0 HB3 SER A 33 1.672 -10.443 7.033 1.00 11.53 H new ATOM 0 HG SER A 33 3.625 -9.683 8.028 1.00 44.10 H new ATOM 516 N THR A 34 2.633 -6.669 5.495 1.00 42.14 N ATOM 517 CA THR A 34 3.097 -5.290 5.549 1.00 1.22 C ATOM 518 C THR A 34 2.280 -4.396 4.622 1.00 65.12 C ATOM 519 O THR A 34 1.788 -3.345 5.031 1.00 45.30 O ATOM 520 CB THR A 34 4.586 -5.182 5.166 1.00 12.24 C ATOM 521 OG1 THR A 34 5.348 -6.158 5.885 1.00 74.43 O ATOM 522 CG2 THR A 34 5.122 -3.791 5.468 1.00 1.32 C ATOM 0 H THR A 34 3.155 -7.264 4.852 1.00 42.14 H new ATOM 0 HA THR A 34 2.968 -4.955 6.578 1.00 1.22 H new ATOM 0 HB THR A 34 4.678 -5.366 4.096 1.00 12.24 H new ATOM 0 HG1 THR A 34 6.293 -6.084 5.635 1.00 74.43 H new ATOM 0 HG21 THR A 34 6.175 -3.738 5.190 1.00 1.32 H new ATOM 0 HG22 THR A 34 4.558 -3.052 4.898 1.00 1.32 H new ATOM 0 HG23 THR A 34 5.018 -3.584 6.533 1.00 1.32 H new ATOM 530 N VAL A 35 2.138 -4.823 3.372 1.00 43.25 N ATOM 531 CA VAL A 35 1.378 -4.063 2.386 1.00 22.50 C ATOM 532 C VAL A 35 -0.091 -3.966 2.781 1.00 75.01 C ATOM 533 O VAL A 35 -0.639 -2.871 2.908 1.00 71.41 O ATOM 534 CB VAL A 35 1.481 -4.698 0.986 1.00 30.21 C ATOM 535 CG1 VAL A 35 0.378 -4.174 0.080 1.00 64.22 C ATOM 536 CG2 VAL A 35 2.851 -4.432 0.381 1.00 63.40 C ATOM 0 H VAL A 35 2.539 -5.691 3.017 1.00 43.25 H new ATOM 0 HA VAL A 35 1.810 -3.063 2.356 1.00 22.50 H new ATOM 0 HB VAL A 35 1.356 -5.776 1.084 1.00 30.21 H new ATOM 0 HG11 VAL A 35 0.467 -4.634 -0.904 1.00 64.22 H new ATOM 0 HG12 VAL A 35 -0.593 -4.420 0.509 1.00 64.22 H new ATOM 0 HG13 VAL A 35 0.469 -3.092 -0.015 1.00 64.22 H new ATOM 0 HG21 VAL A 35 2.907 -4.887 -0.608 1.00 63.40 H new ATOM 0 HG22 VAL A 35 3.008 -3.357 0.295 1.00 63.40 H new ATOM 0 HG23 VAL A 35 3.621 -4.861 1.022 1.00 63.40 H new ATOM 546 N TYR A 36 -0.724 -5.118 2.974 1.00 65.33 N ATOM 547 CA TYR A 36 -2.131 -5.164 3.353 1.00 40.50 C ATOM 548 C TYR A 36 -2.395 -4.286 4.572 1.00 11.42 C ATOM 549 O TYR A 36 -3.419 -3.607 4.653 1.00 13.12 O ATOM 550 CB TYR A 36 -2.555 -6.603 3.646 1.00 61.44 C ATOM 551 CG TYR A 36 -4.049 -6.825 3.554 1.00 24.22 C ATOM 552 CD1 TYR A 36 -4.913 -6.261 4.486 1.00 42.35 C ATOM 553 CD2 TYR A 36 -4.595 -7.598 2.537 1.00 22.43 C ATOM 554 CE1 TYR A 36 -6.277 -6.461 4.406 1.00 21.22 C ATOM 555 CE2 TYR A 36 -5.958 -7.802 2.450 1.00 74.22 C ATOM 556 CZ TYR A 36 -6.795 -7.232 3.386 1.00 21.11 C ATOM 557 OH TYR A 36 -8.154 -7.434 3.303 1.00 61.03 O ATOM 0 H TYR A 36 -0.284 -6.033 2.874 1.00 65.33 H new ATOM 0 HA TYR A 36 -2.719 -4.782 2.518 1.00 40.50 H new ATOM 0 HB2 TYR A 36 -2.053 -7.271 2.946 1.00 61.44 H new ATOM 0 HB3 TYR A 36 -2.216 -6.876 4.645 1.00 61.44 H new ATOM 0 HD1 TYR A 36 -4.511 -5.657 5.286 1.00 42.35 H new ATOM 0 HD2 TYR A 36 -3.943 -8.047 1.802 1.00 22.43 H new ATOM 0 HE1 TYR A 36 -6.935 -6.016 5.138 1.00 21.22 H new ATOM 0 HE2 TYR A 36 -6.367 -8.405 1.653 1.00 74.22 H new ATOM 0 HH TYR A 36 -8.354 -7.998 2.527 1.00 61.03 H new ATOM 567 N LYS A 37 -1.464 -4.303 5.519 1.00 23.35 N ATOM 568 CA LYS A 37 -1.591 -3.508 6.734 1.00 34.13 C ATOM 569 C LYS A 37 -1.671 -2.021 6.406 1.00 11.32 C ATOM 570 O LYS A 37 -2.311 -1.250 7.121 1.00 65.15 O ATOM 571 CB LYS A 37 -0.409 -3.773 7.669 1.00 75.32 C ATOM 572 CG LYS A 37 -0.708 -4.794 8.753 1.00 22.34 C ATOM 573 CD LYS A 37 -1.715 -4.262 9.759 1.00 13.31 C ATOM 574 CE LYS A 37 -2.025 -5.291 10.836 1.00 45.52 C ATOM 575 NZ LYS A 37 -0.798 -5.714 11.567 1.00 40.01 N ATOM 0 H LYS A 37 -0.611 -4.860 5.468 1.00 23.35 H new ATOM 0 HA LYS A 37 -2.514 -3.801 7.234 1.00 34.13 H new ATOM 0 HB2 LYS A 37 0.439 -4.120 7.079 1.00 75.32 H new ATOM 0 HB3 LYS A 37 -0.110 -2.835 8.137 1.00 75.32 H new ATOM 0 HG2 LYS A 37 -1.094 -5.706 8.298 1.00 22.34 H new ATOM 0 HG3 LYS A 37 0.215 -5.061 9.267 1.00 22.34 H new ATOM 0 HD2 LYS A 37 -1.324 -3.356 10.222 1.00 13.31 H new ATOM 0 HD3 LYS A 37 -2.635 -3.985 9.243 1.00 13.31 H new ATOM 0 HE2 LYS A 37 -2.743 -4.873 11.542 1.00 45.52 H new ATOM 0 HE3 LYS A 37 -2.496 -6.163 10.381 1.00 45.52 H new ATOM 0 HZ1 LYS A 37 -1.068 -6.238 12.424 1.00 40.01 H new ATOM 0 HZ2 LYS A 37 -0.222 -6.326 10.954 1.00 40.01 H new ATOM 0 HZ3 LYS A 37 -0.246 -4.874 11.834 1.00 40.01 H new ATOM 589 N ALA A 38 -1.016 -1.624 5.320 1.00 53.10 N ATOM 590 CA ALA A 38 -1.015 -0.229 4.894 1.00 23.15 C ATOM 591 C ALA A 38 -2.325 0.135 4.203 1.00 62.21 C ATOM 592 O ALA A 38 -2.901 1.193 4.459 1.00 41.40 O ATOM 593 CB ALA A 38 0.164 0.040 3.972 1.00 1.45 C ATOM 0 H ALA A 38 -0.479 -2.249 4.719 1.00 53.10 H new ATOM 0 HA ALA A 38 -0.917 0.396 5.781 1.00 23.15 H new ATOM 0 HB1 ALA A 38 0.152 1.085 3.662 1.00 1.45 H new ATOM 0 HB2 ALA A 38 1.094 -0.172 4.500 1.00 1.45 H new ATOM 0 HB3 ALA A 38 0.092 -0.600 3.093 1.00 1.45 H new ATOM 599 N LEU A 39 -2.789 -0.748 3.325 1.00 73.20 N ATOM 600 CA LEU A 39 -4.032 -0.519 2.596 1.00 40.22 C ATOM 601 C LEU A 39 -5.200 -0.321 3.556 1.00 23.32 C ATOM 602 O LEU A 39 -5.962 0.635 3.432 1.00 35.25 O ATOM 603 CB LEU A 39 -4.320 -1.694 1.659 1.00 23.00 C ATOM 604 CG LEU A 39 -3.161 -2.142 0.768 1.00 24.45 C ATOM 605 CD1 LEU A 39 -3.535 -3.397 -0.004 1.00 51.21 C ATOM 606 CD2 LEU A 39 -2.759 -1.027 -0.185 1.00 41.51 C ATOM 0 H LEU A 39 -2.324 -1.628 3.101 1.00 73.20 H new ATOM 0 HA LEU A 39 -3.915 0.390 2.005 1.00 40.22 H new ATOM 0 HB2 LEU A 39 -4.638 -2.544 2.262 1.00 23.00 H new ATOM 0 HB3 LEU A 39 -5.161 -1.425 1.019 1.00 23.00 H new ATOM 0 HG LEU A 39 -2.307 -2.373 1.405 1.00 24.45 H new ATOM 0 HD11 LEU A 39 -2.698 -3.701 -0.632 1.00 51.21 H new ATOM 0 HD12 LEU A 39 -3.772 -4.198 0.696 1.00 51.21 H new ATOM 0 HD13 LEU A 39 -4.404 -3.194 -0.630 1.00 51.21 H new ATOM 0 HD21 LEU A 39 -1.933 -1.364 -0.811 1.00 41.51 H new ATOM 0 HD22 LEU A 39 -3.608 -0.763 -0.815 1.00 41.51 H new ATOM 0 HD23 LEU A 39 -2.447 -0.154 0.388 1.00 41.51 H new ATOM 618 N GLU A 40 -5.331 -1.233 4.516 1.00 1.53 N ATOM 619 CA GLU A 40 -6.405 -1.157 5.499 1.00 74.22 C ATOM 620 C GLU A 40 -6.365 0.171 6.247 1.00 3.44 C ATOM 621 O GLU A 40 -7.381 0.641 6.758 1.00 34.13 O ATOM 622 CB GLU A 40 -6.301 -2.318 6.491 1.00 14.11 C ATOM 623 CG GLU A 40 -4.990 -2.347 7.258 1.00 61.12 C ATOM 624 CD GLU A 40 -5.109 -3.065 8.589 1.00 54.22 C ATOM 625 OE1 GLU A 40 -5.354 -4.289 8.583 1.00 63.11 O ATOM 626 OE2 GLU A 40 -4.957 -2.401 9.636 1.00 43.02 O ATOM 0 H GLU A 40 -4.707 -2.032 4.633 1.00 1.53 H new ATOM 0 HA GLU A 40 -7.355 -1.226 4.968 1.00 74.22 H new ATOM 0 HB2 GLU A 40 -7.126 -2.254 7.200 1.00 14.11 H new ATOM 0 HB3 GLU A 40 -6.417 -3.258 5.951 1.00 14.11 H new ATOM 0 HG2 GLU A 40 -4.229 -2.838 6.651 1.00 61.12 H new ATOM 0 HG3 GLU A 40 -4.651 -1.325 7.429 1.00 61.12 H new ATOM 633 N LYS A 41 -5.181 0.774 6.310 1.00 24.41 N ATOM 634 CA LYS A 41 -5.005 2.048 6.995 1.00 31.24 C ATOM 635 C LYS A 41 -5.490 3.204 6.126 1.00 5.03 C ATOM 636 O LYS A 41 -6.274 4.042 6.571 1.00 52.33 O ATOM 637 CB LYS A 41 -3.535 2.254 7.364 1.00 63.21 C ATOM 638 CG LYS A 41 -3.307 2.491 8.848 1.00 55.33 C ATOM 639 CD LYS A 41 -3.247 1.183 9.618 1.00 22.43 C ATOM 640 CE LYS A 41 -4.628 0.741 10.075 1.00 13.35 C ATOM 641 NZ LYS A 41 -4.583 0.059 11.399 1.00 53.15 N ATOM 0 H LYS A 41 -4.329 0.399 5.894 1.00 24.41 H new ATOM 0 HA LYS A 41 -5.602 2.027 7.907 1.00 31.24 H new ATOM 0 HB2 LYS A 41 -2.965 1.379 7.053 1.00 63.21 H new ATOM 0 HB3 LYS A 41 -3.144 3.104 6.805 1.00 63.21 H new ATOM 0 HG2 LYS A 41 -2.377 3.041 8.991 1.00 55.33 H new ATOM 0 HG3 LYS A 41 -4.110 3.112 9.246 1.00 55.33 H new ATOM 0 HD2 LYS A 41 -2.806 0.410 8.989 1.00 22.43 H new ATOM 0 HD3 LYS A 41 -2.596 1.299 10.484 1.00 22.43 H new ATOM 0 HE2 LYS A 41 -5.285 1.608 10.136 1.00 13.35 H new ATOM 0 HE3 LYS A 41 -5.057 0.067 9.334 1.00 13.35 H new ATOM 0 HZ1 LYS A 41 -5.434 0.304 11.945 1.00 53.15 H new ATOM 0 HZ2 LYS A 41 -4.547 -0.971 11.258 1.00 53.15 H new ATOM 0 HZ3 LYS A 41 -3.737 0.367 11.919 1.00 53.15 H new ATOM 655 N LEU A 42 -5.017 3.243 4.885 1.00 63.04 N ATOM 656 CA LEU A 42 -5.403 4.295 3.952 1.00 53.31 C ATOM 657 C LEU A 42 -6.889 4.208 3.616 1.00 43.22 C ATOM 658 O LEU A 42 -7.601 5.211 3.648 1.00 33.23 O ATOM 659 CB LEU A 42 -4.572 4.199 2.671 1.00 31.31 C ATOM 660 CG LEU A 42 -3.125 4.683 2.772 1.00 14.30 C ATOM 661 CD1 LEU A 42 -2.164 3.585 2.346 1.00 43.12 C ATOM 662 CD2 LEU A 42 -2.921 5.932 1.925 1.00 3.30 C ATOM 0 H LEU A 42 -4.366 2.558 4.502 1.00 63.04 H new ATOM 0 HA LEU A 42 -5.213 5.256 4.429 1.00 53.31 H new ATOM 0 HB2 LEU A 42 -4.564 3.159 2.344 1.00 31.31 H new ATOM 0 HB3 LEU A 42 -5.073 4.774 1.893 1.00 31.31 H new ATOM 0 HG LEU A 42 -2.917 4.935 3.812 1.00 14.30 H new ATOM 0 HD11 LEU A 42 -1.139 3.948 2.424 1.00 43.12 H new ATOM 0 HD12 LEU A 42 -2.292 2.718 2.994 1.00 43.12 H new ATOM 0 HD13 LEU A 42 -2.370 3.301 1.314 1.00 43.12 H new ATOM 0 HD21 LEU A 42 -1.886 6.263 2.008 1.00 3.30 H new ATOM 0 HD22 LEU A 42 -3.147 5.706 0.883 1.00 3.30 H new ATOM 0 HD23 LEU A 42 -3.584 6.722 2.277 1.00 3.30 H new ATOM 674 N GLU A 43 -7.348 3.002 3.297 1.00 51.23 N ATOM 675 CA GLU A 43 -8.748 2.785 2.956 1.00 72.31 C ATOM 676 C GLU A 43 -9.665 3.317 4.055 1.00 43.12 C ATOM 677 O GLU A 43 -10.688 3.940 3.777 1.00 53.41 O ATOM 678 CB GLU A 43 -9.016 1.295 2.731 1.00 40.00 C ATOM 679 CG GLU A 43 -10.040 1.019 1.642 1.00 52.21 C ATOM 680 CD GLU A 43 -10.312 -0.461 1.460 1.00 21.30 C ATOM 681 OE1 GLU A 43 -9.365 -1.262 1.606 1.00 74.14 O ATOM 682 OE2 GLU A 43 -11.474 -0.819 1.171 1.00 61.11 O ATOM 0 H GLU A 43 -6.771 2.161 3.268 1.00 51.23 H new ATOM 0 HA GLU A 43 -8.959 3.329 2.035 1.00 72.31 H new ATOM 0 HB2 GLU A 43 -8.080 0.801 2.471 1.00 40.00 H new ATOM 0 HB3 GLU A 43 -9.362 0.852 3.665 1.00 40.00 H new ATOM 0 HG2 GLU A 43 -10.972 1.529 1.887 1.00 52.21 H new ATOM 0 HG3 GLU A 43 -9.686 1.438 0.700 1.00 52.21 H new ATOM 689 N ALA A 44 -9.288 3.065 5.304 1.00 25.41 N ATOM 690 CA ALA A 44 -10.073 3.518 6.445 1.00 1.32 C ATOM 691 C ALA A 44 -10.155 5.041 6.485 1.00 70.24 C ATOM 692 O ALA A 44 -11.059 5.607 7.099 1.00 63.13 O ATOM 693 CB ALA A 44 -9.478 2.987 7.741 1.00 70.01 C ATOM 0 H ALA A 44 -8.443 2.549 5.551 1.00 25.41 H new ATOM 0 HA ALA A 44 -11.085 3.127 6.335 1.00 1.32 H new ATOM 0 HB1 ALA A 44 -10.075 3.334 8.584 1.00 70.01 H new ATOM 0 HB2 ALA A 44 -9.477 1.897 7.721 1.00 70.01 H new ATOM 0 HB3 ALA A 44 -8.455 3.349 7.847 1.00 70.01 H new ATOM 699 N MET A 45 -9.206 5.698 5.825 1.00 23.44 N ATOM 700 CA MET A 45 -9.172 7.154 5.785 1.00 33.11 C ATOM 701 C MET A 45 -9.787 7.676 4.491 1.00 13.43 C ATOM 702 O MET A 45 -10.232 8.821 4.421 1.00 4.33 O ATOM 703 CB MET A 45 -7.734 7.657 5.920 1.00 61.35 C ATOM 704 CG MET A 45 -7.072 7.263 7.231 1.00 61.13 C ATOM 705 SD MET A 45 -7.579 8.311 8.608 1.00 74.53 S ATOM 706 CE MET A 45 -6.373 7.847 9.847 1.00 34.24 C ATOM 0 H MET A 45 -8.451 5.244 5.311 1.00 23.44 H new ATOM 0 HA MET A 45 -9.759 7.529 6.623 1.00 33.11 H new ATOM 0 HB2 MET A 45 -7.142 7.267 5.092 1.00 61.35 H new ATOM 0 HB3 MET A 45 -7.728 8.743 5.832 1.00 61.35 H new ATOM 0 HG2 MET A 45 -7.317 6.226 7.460 1.00 61.13 H new ATOM 0 HG3 MET A 45 -5.989 7.317 7.118 1.00 61.13 H new ATOM 0 HE1 MET A 45 -6.555 8.412 10.761 1.00 34.24 H new ATOM 0 HE2 MET A 45 -6.458 6.781 10.056 1.00 34.24 H new ATOM 0 HE3 MET A 45 -5.371 8.066 9.479 1.00 34.24 H new ATOM 716 N GLY A 46 -9.807 6.829 3.466 1.00 32.43 N ATOM 717 CA GLY A 46 -10.369 7.224 2.188 1.00 14.41 C ATOM 718 C GLY A 46 -9.324 7.782 1.243 1.00 3.31 C ATOM 719 O GLY A 46 -9.620 8.652 0.423 1.00 45.41 O ATOM 0 H GLY A 46 -9.444 5.876 3.498 1.00 32.43 H new ATOM 0 HA2 GLY A 46 -10.851 6.363 1.725 1.00 14.41 H new ATOM 0 HA3 GLY A 46 -11.144 7.973 2.351 1.00 14.41 H new ATOM 723 N ARG A 47 -8.098 7.283 1.359 1.00 64.24 N ATOM 724 CA ARG A 47 -7.004 7.739 0.509 1.00 4.51 C ATOM 725 C ARG A 47 -6.910 6.895 -0.758 1.00 72.30 C ATOM 726 O ARG A 47 -6.755 7.425 -1.859 1.00 61.23 O ATOM 727 CB ARG A 47 -5.679 7.681 1.272 1.00 41.33 C ATOM 728 CG ARG A 47 -5.783 8.164 2.710 1.00 23.51 C ATOM 729 CD ARG A 47 -6.343 9.575 2.785 1.00 4.43 C ATOM 730 NE ARG A 47 -5.444 10.483 3.492 1.00 51.21 N ATOM 731 CZ ARG A 47 -4.385 11.055 2.929 1.00 3.35 C ATOM 732 NH1 ARG A 47 -4.094 10.814 1.658 1.00 32.21 N ATOM 733 NH2 ARG A 47 -3.614 11.871 3.639 1.00 60.05 N ATOM 0 H ARG A 47 -7.837 6.563 2.033 1.00 64.24 H new ATOM 0 HA ARG A 47 -7.207 8.771 0.223 1.00 4.51 H new ATOM 0 HB2 ARG A 47 -5.312 6.655 1.268 1.00 41.33 H new ATOM 0 HB3 ARG A 47 -4.940 8.286 0.747 1.00 41.33 H new ATOM 0 HG2 ARG A 47 -6.422 7.487 3.277 1.00 23.51 H new ATOM 0 HG3 ARG A 47 -4.798 8.137 3.176 1.00 23.51 H new ATOM 0 HD2 ARG A 47 -6.518 9.950 1.777 1.00 4.43 H new ATOM 0 HD3 ARG A 47 -7.309 9.555 3.289 1.00 4.43 H new ATOM 0 HE ARG A 47 -5.640 10.689 4.472 1.00 51.21 H new ATOM 0 HH11 ARG A 47 -4.684 10.188 1.110 1.00 32.21 H new ATOM 0 HH12 ARG A 47 -3.280 11.255 1.229 1.00 32.21 H new ATOM 0 HH21 ARG A 47 -3.835 12.059 4.617 1.00 60.05 H new ATOM 0 HH22 ARG A 47 -2.801 12.310 3.206 1.00 60.05 H new ATOM 747 N ILE A 48 -7.007 5.580 -0.594 1.00 43.14 N ATOM 748 CA ILE A 48 -6.933 4.663 -1.725 1.00 71.42 C ATOM 749 C ILE A 48 -8.315 4.409 -2.318 1.00 70.13 C ATOM 750 O ILE A 48 -8.448 4.086 -3.499 1.00 4.34 O ATOM 751 CB ILE A 48 -6.307 3.315 -1.318 1.00 52.24 C ATOM 752 CG1 ILE A 48 -7.133 2.658 -0.211 1.00 34.24 C ATOM 753 CG2 ILE A 48 -4.869 3.515 -0.866 1.00 11.23 C ATOM 754 CD1 ILE A 48 -6.616 1.298 0.204 1.00 40.44 C ATOM 0 H ILE A 48 -7.137 5.126 0.310 1.00 43.14 H new ATOM 0 HA ILE A 48 -6.299 5.138 -2.474 1.00 71.42 H new ATOM 0 HB ILE A 48 -6.306 2.654 -2.185 1.00 52.24 H new ATOM 0 HG12 ILE A 48 -7.146 3.314 0.660 1.00 34.24 H new ATOM 0 HG13 ILE A 48 -8.164 2.558 -0.549 1.00 34.24 H new ATOM 0 HG21 ILE A 48 -4.440 2.554 -0.582 1.00 11.23 H new ATOM 0 HG22 ILE A 48 -4.288 3.945 -1.682 1.00 11.23 H new ATOM 0 HG23 ILE A 48 -4.847 4.190 -0.010 1.00 11.23 H new ATOM 0 HD11 ILE A 48 -7.250 0.893 0.992 1.00 40.44 H new ATOM 0 HD12 ILE A 48 -6.630 0.626 -0.654 1.00 40.44 H new ATOM 0 HD13 ILE A 48 -5.595 1.394 0.573 1.00 40.44 H new ATOM 1035 N THR A 62 -33.760 32.939 -7.741 1.00 21.14 N ATOM 1036 CA THR A 62 -34.476 32.812 -6.477 1.00 31.04 C ATOM 1037 C THR A 62 -34.315 31.414 -5.892 1.00 12.04 C ATOM 1038 O THR A 62 -34.037 30.457 -6.614 1.00 1.21 O ATOM 1039 CB THR A 62 -35.977 33.116 -6.649 1.00 23.13 C ATOM 1040 OG1 THR A 62 -36.182 33.926 -7.811 1.00 15.34 O ATOM 1041 CG2 THR A 62 -36.528 33.828 -5.422 1.00 42.32 C ATOM 0 HA THR A 62 -34.042 33.541 -5.793 1.00 31.04 H new ATOM 0 HB THR A 62 -36.507 32.171 -6.769 1.00 23.13 H new ATOM 0 HG1 THR A 62 -35.709 33.531 -8.573 1.00 15.34 H new ATOM 0 HG21 THR A 62 -37.589 34.033 -5.566 1.00 42.32 H new ATOM 0 HG22 THR A 62 -36.396 33.195 -4.544 1.00 42.32 H new ATOM 0 HG23 THR A 62 -35.994 34.767 -5.276 1.00 42.32 H new ATOM 1049 N GLU A 63 -34.494 31.303 -4.579 1.00 61.45 N ATOM 1050 CA GLU A 63 -34.368 30.019 -3.898 1.00 2.21 C ATOM 1051 C GLU A 63 -35.372 29.011 -4.448 1.00 70.12 C ATOM 1052 O GLU A 63 -35.047 27.841 -4.645 1.00 31.32 O ATOM 1053 CB GLU A 63 -34.577 30.194 -2.392 1.00 12.03 C ATOM 1054 CG GLU A 63 -33.557 31.111 -1.738 1.00 22.30 C ATOM 1055 CD GLU A 63 -34.066 31.726 -0.450 1.00 35.52 C ATOM 1056 OE1 GLU A 63 -35.259 31.535 -0.132 1.00 31.13 O ATOM 1057 OE2 GLU A 63 -33.272 32.399 0.240 1.00 32.32 O ATOM 0 H GLU A 63 -34.726 32.085 -3.967 1.00 61.45 H new ATOM 0 HA GLU A 63 -33.362 29.638 -4.077 1.00 2.21 H new ATOM 0 HB2 GLU A 63 -35.576 30.592 -2.216 1.00 12.03 H new ATOM 0 HB3 GLU A 63 -34.535 29.216 -1.912 1.00 12.03 H new ATOM 0 HG2 GLU A 63 -32.647 30.548 -1.532 1.00 22.30 H new ATOM 0 HG3 GLU A 63 -33.289 31.906 -2.434 1.00 22.30 H new ATOM 1064 N GLU A 64 -36.594 29.474 -4.693 1.00 42.02 N ATOM 1065 CA GLU A 64 -37.646 28.613 -5.220 1.00 62.44 C ATOM 1066 C GLU A 64 -37.428 28.332 -6.704 1.00 71.44 C ATOM 1067 O GLU A 64 -37.777 27.263 -7.201 1.00 70.52 O ATOM 1068 CB GLU A 64 -39.018 29.256 -5.007 1.00 45.21 C ATOM 1069 CG GLU A 64 -40.097 28.267 -4.600 1.00 32.32 C ATOM 1070 CD GLU A 64 -41.273 28.937 -3.916 1.00 14.12 C ATOM 1071 OE1 GLU A 64 -41.118 29.363 -2.752 1.00 42.34 O ATOM 1072 OE2 GLU A 64 -42.349 29.034 -4.544 1.00 4.22 O ATOM 0 H GLU A 64 -36.880 30.440 -4.535 1.00 42.02 H new ATOM 0 HA GLU A 64 -37.609 27.667 -4.680 1.00 62.44 H new ATOM 0 HB2 GLU A 64 -38.934 30.025 -4.240 1.00 45.21 H new ATOM 0 HB3 GLU A 64 -39.323 29.755 -5.927 1.00 45.21 H new ATOM 0 HG2 GLU A 64 -40.450 27.736 -5.484 1.00 32.32 H new ATOM 0 HG3 GLU A 64 -39.668 27.522 -3.930 1.00 32.32 H new ATOM 1079 N GLU A 65 -36.848 29.302 -7.405 1.00 32.32 N ATOM 1080 CA GLU A 65 -36.586 29.160 -8.832 1.00 44.23 C ATOM 1081 C GLU A 65 -35.537 28.081 -9.087 1.00 51.33 C ATOM 1082 O GLU A 65 -35.770 27.142 -9.850 1.00 3.12 O ATOM 1083 CB GLU A 65 -36.117 30.492 -9.421 1.00 63.13 C ATOM 1084 CG GLU A 65 -37.223 31.528 -9.540 1.00 41.10 C ATOM 1085 CD GLU A 65 -36.945 32.556 -10.619 1.00 55.51 C ATOM 1086 OE1 GLU A 65 -36.131 33.471 -10.372 1.00 73.35 O ATOM 1087 OE2 GLU A 65 -37.542 32.446 -11.710 1.00 12.32 O ATOM 0 H GLU A 65 -36.551 30.193 -7.008 1.00 32.32 H new ATOM 0 HA GLU A 65 -37.515 28.862 -9.319 1.00 44.23 H new ATOM 0 HB2 GLU A 65 -35.319 30.895 -8.797 1.00 63.13 H new ATOM 0 HB3 GLU A 65 -35.690 30.313 -10.408 1.00 63.13 H new ATOM 0 HG2 GLU A 65 -38.165 31.025 -9.757 1.00 41.10 H new ATOM 0 HG3 GLU A 65 -37.345 32.035 -8.583 1.00 41.10 H new ATOM 1094 N LEU A 66 -34.383 28.223 -8.446 1.00 25.15 N ATOM 1095 CA LEU A 66 -33.297 27.261 -8.602 1.00 1.41 C ATOM 1096 C LEU A 66 -33.775 25.846 -8.295 1.00 73.15 C ATOM 1097 O LEU A 66 -33.263 24.874 -8.850 1.00 22.22 O ATOM 1098 CB LEU A 66 -32.128 27.627 -7.685 1.00 73.41 C ATOM 1099 CG LEU A 66 -32.257 27.187 -6.226 1.00 65.15 C ATOM 1100 CD1 LEU A 66 -31.657 25.802 -6.033 1.00 45.22 C ATOM 1101 CD2 LEU A 66 -31.586 28.194 -5.304 1.00 75.40 C ATOM 0 H LEU A 66 -34.174 28.995 -7.813 1.00 25.15 H new ATOM 0 HA LEU A 66 -32.961 27.295 -9.639 1.00 1.41 H new ATOM 0 HB2 LEU A 66 -31.218 27.189 -8.097 1.00 73.41 H new ATOM 0 HB3 LEU A 66 -32.000 28.709 -7.707 1.00 73.41 H new ATOM 0 HG LEU A 66 -33.316 27.142 -5.971 1.00 65.15 H new ATOM 0 HD11 LEU A 66 -31.757 25.504 -4.989 1.00 45.22 H new ATOM 0 HD12 LEU A 66 -32.182 25.087 -6.666 1.00 45.22 H new ATOM 0 HD13 LEU A 66 -30.602 25.822 -6.305 1.00 45.22 H new ATOM 0 HD21 LEU A 66 -31.688 27.865 -4.270 1.00 75.40 H new ATOM 0 HD22 LEU A 66 -30.529 28.272 -5.558 1.00 75.40 H new ATOM 0 HD23 LEU A 66 -32.060 29.168 -5.423 1.00 75.40 H new ATOM 1113 N ALA A 67 -34.761 25.738 -7.411 1.00 73.15 N ATOM 1114 CA ALA A 67 -35.310 24.442 -7.034 1.00 73.54 C ATOM 1115 C ALA A 67 -36.301 23.941 -8.081 1.00 22.51 C ATOM 1116 O ALA A 67 -36.506 22.735 -8.229 1.00 74.22 O ATOM 1117 CB ALA A 67 -35.980 24.529 -5.671 1.00 70.32 C ATOM 0 H ALA A 67 -35.196 26.533 -6.942 1.00 73.15 H new ATOM 0 HA ALA A 67 -34.488 23.729 -6.978 1.00 73.54 H new ATOM 0 HB1 ALA A 67 -36.386 23.554 -5.402 1.00 70.32 H new ATOM 0 HB2 ALA A 67 -35.247 24.836 -4.924 1.00 70.32 H new ATOM 0 HB3 ALA A 67 -36.788 25.260 -5.709 1.00 70.32 H new ATOM 1123 N THR A 68 -36.913 24.873 -8.804 1.00 64.14 N ATOM 1124 CA THR A 68 -37.883 24.525 -9.836 1.00 64.31 C ATOM 1125 C THR A 68 -37.190 24.177 -11.147 1.00 64.05 C ATOM 1126 O THR A 68 -37.505 23.167 -11.778 1.00 50.41 O ATOM 1127 CB THR A 68 -38.876 25.675 -10.083 1.00 12.21 C ATOM 1128 OG1 THR A 68 -39.519 26.039 -8.856 1.00 31.01 O ATOM 1129 CG2 THR A 68 -39.923 25.275 -11.111 1.00 73.21 C ATOM 0 H THR A 68 -36.755 25.875 -8.694 1.00 64.14 H new ATOM 0 HA THR A 68 -38.430 23.654 -9.475 1.00 64.31 H new ATOM 0 HB THR A 68 -38.320 26.529 -10.469 1.00 12.21 H new ATOM 0 HG1 THR A 68 -38.959 26.680 -8.371 1.00 31.01 H new ATOM 0 HG21 THR A 68 -40.613 26.104 -11.269 1.00 73.21 H new ATOM 0 HG22 THR A 68 -39.433 25.027 -12.052 1.00 73.21 H new ATOM 0 HG23 THR A 68 -40.475 24.407 -10.750 1.00 73.21 H new ATOM 1137 N ILE A 69 -36.244 25.018 -11.553 1.00 23.14 N ATOM 1138 CA ILE A 69 -35.504 24.797 -12.790 1.00 35.55 C ATOM 1139 C ILE A 69 -34.742 23.477 -12.747 1.00 0.25 C ATOM 1140 O ILE A 69 -34.649 22.769 -13.749 1.00 54.54 O ATOM 1141 CB ILE A 69 -34.511 25.941 -13.064 1.00 51.43 C ATOM 1142 CG1 ILE A 69 -33.742 25.680 -14.361 1.00 32.41 C ATOM 1143 CG2 ILE A 69 -33.551 26.101 -11.895 1.00 61.01 C ATOM 1144 CD1 ILE A 69 -33.056 26.908 -14.915 1.00 4.12 C ATOM 0 H ILE A 69 -35.972 25.859 -11.043 1.00 23.14 H new ATOM 0 HA ILE A 69 -36.238 24.764 -13.595 1.00 35.55 H new ATOM 0 HB ILE A 69 -35.072 26.869 -13.178 1.00 51.43 H new ATOM 0 HG12 ILE A 69 -32.995 24.907 -14.181 1.00 32.41 H new ATOM 0 HG13 ILE A 69 -34.431 25.290 -15.110 1.00 32.41 H new ATOM 0 HG21 ILE A 69 -32.855 26.914 -12.104 1.00 61.01 H new ATOM 0 HG22 ILE A 69 -34.114 26.329 -10.990 1.00 61.01 H new ATOM 0 HG23 ILE A 69 -32.994 25.175 -11.752 1.00 61.01 H new ATOM 0 HD11 ILE A 69 -32.531 26.648 -15.834 1.00 4.12 H new ATOM 0 HD12 ILE A 69 -33.800 27.676 -15.127 1.00 4.12 H new ATOM 0 HD13 ILE A 69 -32.342 27.287 -14.184 1.00 4.12 H new ATOM 1156 N ARG A 70 -34.200 23.151 -11.578 1.00 20.55 N ATOM 1157 CA ARG A 70 -33.446 21.915 -11.403 1.00 55.14 C ATOM 1158 C ARG A 70 -34.287 20.705 -11.800 1.00 41.35 C ATOM 1159 O ARG A 70 -33.751 19.651 -12.140 1.00 42.44 O ATOM 1160 CB ARG A 70 -32.985 21.775 -9.952 1.00 35.44 C ATOM 1161 CG ARG A 70 -34.088 21.336 -9.002 1.00 73.01 C ATOM 1162 CD ARG A 70 -33.953 19.868 -8.632 1.00 64.42 C ATOM 1163 NE ARG A 70 -33.405 19.689 -7.290 1.00 22.14 N ATOM 1164 CZ ARG A 70 -34.095 19.922 -6.178 1.00 65.15 C ATOM 1165 NH1 ARG A 70 -35.351 20.339 -6.249 1.00 1.35 N ATOM 1166 NH2 ARG A 70 -33.527 19.736 -4.993 1.00 52.23 N ATOM 0 H ARG A 70 -34.269 23.725 -10.738 1.00 20.55 H new ATOM 0 HA ARG A 70 -32.571 21.957 -12.052 1.00 55.14 H new ATOM 0 HB2 ARG A 70 -32.170 21.053 -9.907 1.00 35.44 H new ATOM 0 HB3 ARG A 70 -32.584 22.730 -9.613 1.00 35.44 H new ATOM 0 HG2 ARG A 70 -34.055 21.945 -8.098 1.00 73.01 H new ATOM 0 HG3 ARG A 70 -35.059 21.507 -9.466 1.00 73.01 H new ATOM 0 HD2 ARG A 70 -34.930 19.388 -8.691 1.00 64.42 H new ATOM 0 HD3 ARG A 70 -33.308 19.370 -9.356 1.00 64.42 H new ATOM 0 HE ARG A 70 -32.441 19.368 -7.201 1.00 22.14 H new ATOM 0 HH11 ARG A 70 -35.790 20.482 -7.158 1.00 1.35 H new ATOM 0 HH12 ARG A 70 -35.878 20.517 -5.394 1.00 1.35 H new ATOM 0 HH21 ARG A 70 -32.561 19.414 -4.935 1.00 52.23 H new ATOM 0 HH22 ARG A 70 -34.057 19.915 -4.140 1.00 52.23 H new ATOM 1180 N GLU A 71 -35.605 20.866 -11.755 1.00 15.21 N ATOM 1181 CA GLU A 71 -36.518 19.786 -12.110 1.00 32.24 C ATOM 1182 C GLU A 71 -36.192 19.229 -13.492 1.00 44.12 C ATOM 1183 O GLU A 71 -36.391 18.043 -13.759 1.00 61.23 O ATOM 1184 CB GLU A 71 -37.966 20.280 -12.076 1.00 42.31 C ATOM 1185 CG GLU A 71 -38.989 19.161 -11.979 1.00 53.32 C ATOM 1186 CD GLU A 71 -40.392 19.675 -11.715 1.00 21.22 C ATOM 1187 OE1 GLU A 71 -40.554 20.526 -10.815 1.00 65.15 O ATOM 1188 OE2 GLU A 71 -41.328 19.225 -12.409 1.00 32.01 O ATOM 0 H GLU A 71 -36.064 21.733 -11.477 1.00 15.21 H new ATOM 0 HA GLU A 71 -36.396 18.988 -11.378 1.00 32.24 H new ATOM 0 HB2 GLU A 71 -38.092 20.951 -11.226 1.00 42.31 H new ATOM 0 HB3 GLU A 71 -38.163 20.864 -12.975 1.00 42.31 H new ATOM 0 HG2 GLU A 71 -38.984 18.588 -12.906 1.00 53.32 H new ATOM 0 HG3 GLU A 71 -38.700 18.478 -11.181 1.00 53.32 H new ATOM 1195 N LEU A 72 -35.690 20.092 -14.368 1.00 2.33 N ATOM 1196 CA LEU A 72 -35.335 19.688 -15.723 1.00 63.55 C ATOM 1197 C LEU A 72 -34.395 18.487 -15.705 1.00 70.34 C ATOM 1198 O LEU A 72 -34.295 17.748 -16.686 1.00 55.33 O ATOM 1199 CB LEU A 72 -34.679 20.852 -16.469 1.00 63.01 C ATOM 1200 CG LEU A 72 -33.159 20.958 -16.341 1.00 13.52 C ATOM 1201 CD1 LEU A 72 -32.742 20.923 -14.879 1.00 34.21 C ATOM 1202 CD2 LEU A 72 -32.478 19.843 -17.119 1.00 72.21 C ATOM 0 H LEU A 72 -35.520 21.077 -14.164 1.00 2.33 H new ATOM 0 HA LEU A 72 -36.250 19.402 -16.241 1.00 63.55 H new ATOM 0 HB2 LEU A 72 -34.930 20.767 -17.526 1.00 63.01 H new ATOM 0 HB3 LEU A 72 -35.120 21.782 -16.110 1.00 63.01 H new ATOM 0 HG LEU A 72 -32.845 21.912 -16.764 1.00 13.52 H new ATOM 0 HD11 LEU A 72 -31.657 21.000 -14.808 1.00 34.21 H new ATOM 0 HD12 LEU A 72 -33.200 21.759 -14.350 1.00 34.21 H new ATOM 0 HD13 LEU A 72 -33.070 19.986 -14.430 1.00 34.21 H new ATOM 0 HD21 LEU A 72 -31.397 19.935 -17.016 1.00 72.21 H new ATOM 0 HD22 LEU A 72 -32.799 18.878 -16.727 1.00 72.21 H new ATOM 0 HD23 LEU A 72 -32.750 19.916 -18.172 1.00 72.21 H new ATOM 1214 N TYR A 73 -33.711 18.294 -14.584 1.00 44.51 N ATOM 1215 CA TYR A 73 -32.779 17.183 -14.438 1.00 62.01 C ATOM 1216 C TYR A 73 -33.523 15.884 -14.144 1.00 21.21 C ATOM 1217 O TYR A 73 -33.126 14.809 -14.600 1.00 14.43 O ATOM 1218 CB TYR A 73 -31.776 17.474 -13.320 1.00 61.34 C ATOM 1219 CG TYR A 73 -30.392 16.927 -13.591 1.00 62.20 C ATOM 1220 CD1 TYR A 73 -29.656 17.358 -14.687 1.00 2.52 C ATOM 1221 CD2 TYR A 73 -29.823 15.977 -12.751 1.00 2.04 C ATOM 1222 CE1 TYR A 73 -28.392 16.861 -14.938 1.00 44.12 C ATOM 1223 CE2 TYR A 73 -28.558 15.476 -12.995 1.00 15.05 C ATOM 1224 CZ TYR A 73 -27.847 15.920 -14.089 1.00 1.54 C ATOM 1225 OH TYR A 73 -26.588 15.423 -14.335 1.00 63.23 O ATOM 0 H TYR A 73 -33.784 18.893 -13.762 1.00 44.51 H new ATOM 0 HA TYR A 73 -32.240 17.068 -15.379 1.00 62.01 H new ATOM 0 HB2 TYR A 73 -31.709 18.552 -13.175 1.00 61.34 H new ATOM 0 HB3 TYR A 73 -32.150 17.049 -12.388 1.00 61.34 H new ATOM 0 HD1 TYR A 73 -30.079 18.094 -15.354 1.00 2.52 H new ATOM 0 HD2 TYR A 73 -30.378 15.625 -11.894 1.00 2.04 H new ATOM 0 HE1 TYR A 73 -27.833 17.207 -15.795 1.00 44.12 H new ATOM 0 HE2 TYR A 73 -28.129 14.740 -12.331 1.00 15.05 H new ATOM 0 HH TYR A 73 -26.353 14.771 -13.642 1.00 63.23 H new ATOM 1235 N LEU A 74 -34.604 15.989 -13.379 1.00 54.24 N ATOM 1236 CA LEU A 74 -35.406 14.823 -13.022 1.00 50.44 C ATOM 1237 C LEU A 74 -36.212 14.331 -14.220 1.00 61.32 C ATOM 1238 O LEU A 74 -36.266 13.132 -14.495 1.00 52.35 O ATOM 1239 CB LEU A 74 -36.346 15.161 -11.865 1.00 13.32 C ATOM 1240 CG LEU A 74 -35.690 15.331 -10.495 1.00 2.54 C ATOM 1241 CD1 LEU A 74 -34.818 14.128 -10.168 1.00 13.20 C ATOM 1242 CD2 LEU A 74 -34.871 16.614 -10.450 1.00 62.45 C ATOM 0 H LEU A 74 -34.946 16.869 -12.994 1.00 54.24 H new ATOM 0 HA LEU A 74 -34.729 14.028 -12.711 1.00 50.44 H new ATOM 0 HB2 LEU A 74 -36.874 16.083 -12.110 1.00 13.32 H new ATOM 0 HB3 LEU A 74 -37.096 14.374 -11.791 1.00 13.32 H new ATOM 0 HG LEU A 74 -36.476 15.400 -9.743 1.00 2.54 H new ATOM 0 HD11 LEU A 74 -34.359 14.267 -9.189 1.00 13.20 H new ATOM 0 HD12 LEU A 74 -35.431 13.227 -10.157 1.00 13.20 H new ATOM 0 HD13 LEU A 74 -34.038 14.028 -10.923 1.00 13.20 H new ATOM 0 HD21 LEU A 74 -34.412 16.718 -9.467 1.00 62.45 H new ATOM 0 HD22 LEU A 74 -34.093 16.576 -11.212 1.00 62.45 H new ATOM 0 HD23 LEU A 74 -35.522 17.468 -10.639 1.00 62.45 H new ATOM 1254 N LYS A 75 -36.836 15.264 -14.931 1.00 51.23 N ATOM 1255 CA LYS A 75 -37.637 14.927 -16.102 1.00 62.23 C ATOM 1256 C LYS A 75 -36.760 14.806 -17.345 1.00 34.05 C ATOM 1257 O LYS A 75 -37.150 14.188 -18.333 1.00 50.14 O ATOM 1258 CB LYS A 75 -38.719 15.985 -16.328 1.00 1.30 C ATOM 1259 CG LYS A 75 -39.513 16.320 -15.078 1.00 33.54 C ATOM 1260 CD LYS A 75 -40.639 17.296 -15.377 1.00 74.23 C ATOM 1261 CE LYS A 75 -40.118 18.717 -15.530 1.00 71.11 C ATOM 1262 NZ LYS A 75 -40.197 19.186 -16.941 1.00 50.44 N ATOM 0 H LYS A 75 -36.802 16.261 -14.716 1.00 51.23 H new ATOM 0 HA LYS A 75 -38.113 13.964 -15.920 1.00 62.23 H new ATOM 0 HB2 LYS A 75 -38.252 16.895 -16.706 1.00 1.30 H new ATOM 0 HB3 LYS A 75 -39.404 15.633 -17.100 1.00 1.30 H new ATOM 0 HG2 LYS A 75 -39.926 15.406 -14.653 1.00 33.54 H new ATOM 0 HG3 LYS A 75 -38.848 16.749 -14.328 1.00 33.54 H new ATOM 0 HD2 LYS A 75 -41.150 16.994 -16.291 1.00 74.23 H new ATOM 0 HD3 LYS A 75 -41.375 17.262 -14.574 1.00 74.23 H new ATOM 0 HE2 LYS A 75 -40.695 19.386 -14.892 1.00 71.11 H new ATOM 0 HE3 LYS A 75 -39.084 18.764 -15.189 1.00 71.11 H new ATOM 0 HZ1 LYS A 75 -39.833 20.158 -17.005 1.00 50.44 H new ATOM 0 HZ2 LYS A 75 -39.626 18.562 -17.547 1.00 50.44 H new ATOM 0 HZ3 LYS A 75 -41.187 19.166 -17.259 1.00 50.44 H new ATOM 1276 N GLY A 76 -35.573 15.403 -17.286 1.00 72.43 N ATOM 1277 CA GLY A 76 -34.660 15.349 -18.412 1.00 11.02 C ATOM 1278 C GLY A 76 -34.970 16.399 -19.460 1.00 51.14 C ATOM 1279 O GLY A 76 -34.484 16.322 -20.588 1.00 41.12 O ATOM 0 H GLY A 76 -35.228 15.923 -16.479 1.00 72.43 H new ATOM 0 HA2 GLY A 76 -33.639 15.486 -18.055 1.00 11.02 H new ATOM 0 HA3 GLY A 76 -34.708 14.360 -18.868 1.00 11.02 H new ATOM 1283 N ALA A 77 -35.782 17.382 -19.088 1.00 12.32 N ATOM 1284 CA ALA A 77 -36.156 18.452 -20.004 1.00 41.42 C ATOM 1285 C ALA A 77 -34.929 19.227 -20.475 1.00 20.53 C ATOM 1286 O ALA A 77 -33.822 19.018 -19.978 1.00 31.13 O ATOM 1287 CB ALA A 77 -37.152 19.392 -19.340 1.00 42.42 C ATOM 0 H ALA A 77 -36.194 17.460 -18.158 1.00 12.32 H new ATOM 0 HA ALA A 77 -36.626 18.000 -20.878 1.00 41.42 H new ATOM 0 HB1 ALA A 77 -37.422 20.186 -20.036 1.00 42.42 H new ATOM 0 HB2 ALA A 77 -38.046 18.835 -19.059 1.00 42.42 H new ATOM 0 HB3 ALA A 77 -36.702 19.828 -18.448 1.00 42.42 H new ATOM 1293 N THR A 78 -35.132 20.120 -21.438 1.00 51.12 N ATOM 1294 CA THR A 78 -34.042 20.923 -21.978 1.00 3.01 C ATOM 1295 C THR A 78 -34.225 22.398 -21.639 1.00 75.52 C ATOM 1296 O THR A 78 -35.217 22.784 -21.019 1.00 40.30 O ATOM 1297 CB THR A 78 -33.934 20.769 -23.507 1.00 62.51 C ATOM 1298 OG1 THR A 78 -35.015 21.458 -24.146 1.00 5.43 O ATOM 1299 CG2 THR A 78 -33.956 19.301 -23.905 1.00 44.21 C ATOM 0 H THR A 78 -36.042 20.306 -21.860 1.00 51.12 H new ATOM 0 HA THR A 78 -33.124 20.558 -21.518 1.00 3.01 H new ATOM 0 HB THR A 78 -32.987 21.202 -23.828 1.00 62.51 H new ATOM 0 HG1 THR A 78 -34.938 21.357 -25.118 1.00 5.43 H new ATOM 0 HG21 THR A 78 -33.879 19.217 -24.989 1.00 44.21 H new ATOM 0 HG22 THR A 78 -33.116 18.785 -23.440 1.00 44.21 H new ATOM 0 HG23 THR A 78 -34.889 18.848 -23.572 1.00 44.21 H new ATOM 1307 N VAL A 79 -33.265 23.218 -22.050 1.00 12.21 N ATOM 1308 CA VAL A 79 -33.322 24.652 -21.790 1.00 50.33 C ATOM 1309 C VAL A 79 -34.615 25.257 -22.328 1.00 23.24 C ATOM 1310 O VAL A 79 -35.108 26.257 -21.805 1.00 71.02 O ATOM 1311 CB VAL A 79 -32.124 25.385 -22.424 1.00 42.43 C ATOM 1312 CG1 VAL A 79 -32.133 26.857 -22.039 1.00 74.05 C ATOM 1313 CG2 VAL A 79 -30.817 24.726 -22.010 1.00 55.22 C ATOM 0 H VAL A 79 -32.438 22.915 -22.564 1.00 12.21 H new ATOM 0 HA VAL A 79 -33.286 24.779 -20.708 1.00 50.33 H new ATOM 0 HB VAL A 79 -32.212 25.317 -23.508 1.00 42.43 H new ATOM 0 HG11 VAL A 79 -31.280 27.358 -22.496 1.00 74.05 H new ATOM 0 HG12 VAL A 79 -33.056 27.319 -22.390 1.00 74.05 H new ATOM 0 HG13 VAL A 79 -32.070 26.950 -20.955 1.00 74.05 H new ATOM 0 HG21 VAL A 79 -29.981 25.256 -22.467 1.00 55.22 H new ATOM 0 HG22 VAL A 79 -30.720 24.761 -20.925 1.00 55.22 H new ATOM 0 HG23 VAL A 79 -30.812 23.688 -22.341 1.00 55.22 H new ATOM 1323 N TYR A 80 -35.159 24.643 -23.372 1.00 1.13 N ATOM 1324 CA TYR A 80 -36.395 25.122 -23.981 1.00 4.01 C ATOM 1325 C TYR A 80 -37.595 24.815 -23.091 1.00 11.14 C ATOM 1326 O TYR A 80 -38.620 25.492 -23.160 1.00 30.35 O ATOM 1327 CB TYR A 80 -36.590 24.482 -25.357 1.00 0.33 C ATOM 1328 CG TYR A 80 -37.624 25.184 -26.208 1.00 73.44 C ATOM 1329 CD1 TYR A 80 -38.966 24.829 -26.139 1.00 50.20 C ATOM 1330 CD2 TYR A 80 -37.260 26.201 -27.082 1.00 23.10 C ATOM 1331 CE1 TYR A 80 -39.914 25.465 -26.916 1.00 14.54 C ATOM 1332 CE2 TYR A 80 -38.202 26.844 -27.862 1.00 11.34 C ATOM 1333 CZ TYR A 80 -39.527 26.473 -27.775 1.00 73.35 C ATOM 1334 OH TYR A 80 -40.469 27.111 -28.549 1.00 51.22 O ATOM 0 H TYR A 80 -34.764 23.813 -23.815 1.00 1.13 H new ATOM 0 HA TYR A 80 -36.319 26.203 -24.097 1.00 4.01 H new ATOM 0 HB2 TYR A 80 -35.637 24.479 -25.886 1.00 0.33 H new ATOM 0 HB3 TYR A 80 -36.885 23.441 -25.226 1.00 0.33 H new ATOM 0 HD1 TYR A 80 -39.273 24.042 -25.466 1.00 50.20 H new ATOM 0 HD2 TYR A 80 -36.223 26.494 -27.153 1.00 23.10 H new ATOM 0 HE1 TYR A 80 -40.952 25.175 -26.852 1.00 14.54 H new ATOM 0 HE2 TYR A 80 -37.902 27.633 -28.536 1.00 11.34 H new ATOM 0 HH TYR A 80 -40.032 27.796 -29.097 1.00 51.22 H new ATOM 1344 N GLU A 81 -37.458 23.790 -22.256 1.00 2.24 N ATOM 1345 CA GLU A 81 -38.531 23.394 -21.351 1.00 42.13 C ATOM 1346 C GLU A 81 -38.597 24.325 -20.145 1.00 32.13 C ATOM 1347 O GLU A 81 -39.656 24.862 -19.819 1.00 73.35 O ATOM 1348 CB GLU A 81 -38.327 21.951 -20.884 1.00 63.55 C ATOM 1349 CG GLU A 81 -38.618 20.917 -21.960 1.00 23.45 C ATOM 1350 CD GLU A 81 -40.061 20.453 -21.948 1.00 53.41 C ATOM 1351 OE1 GLU A 81 -40.850 20.989 -21.142 1.00 72.45 O ATOM 1352 OE2 GLU A 81 -40.402 19.555 -22.746 1.00 43.34 O ATOM 0 H GLU A 81 -36.616 23.219 -22.187 1.00 2.24 H new ATOM 0 HA GLU A 81 -39.474 23.464 -21.894 1.00 42.13 H new ATOM 0 HB2 GLU A 81 -37.299 21.830 -20.544 1.00 63.55 H new ATOM 0 HB3 GLU A 81 -38.971 21.761 -20.025 1.00 63.55 H new ATOM 0 HG2 GLU A 81 -38.384 21.339 -22.937 1.00 23.45 H new ATOM 0 HG3 GLU A 81 -37.963 20.057 -21.819 1.00 23.45 H new ATOM 1359 N ILE A 82 -37.459 24.512 -19.484 1.00 62.02 N ATOM 1360 CA ILE A 82 -37.388 25.378 -18.315 1.00 3.43 C ATOM 1361 C ILE A 82 -37.932 26.769 -18.627 1.00 21.44 C ATOM 1362 O ILE A 82 -38.530 27.419 -17.770 1.00 31.10 O ATOM 1363 CB ILE A 82 -35.943 25.508 -17.798 1.00 14.13 C ATOM 1364 CG1 ILE A 82 -35.013 25.958 -18.926 1.00 53.32 C ATOM 1365 CG2 ILE A 82 -35.471 24.188 -17.209 1.00 4.34 C ATOM 1366 CD1 ILE A 82 -33.572 26.118 -18.495 1.00 33.21 C ATOM 0 H ILE A 82 -36.574 24.075 -19.739 1.00 62.02 H new ATOM 0 HA ILE A 82 -38.002 24.916 -17.542 1.00 3.43 H new ATOM 0 HB ILE A 82 -35.920 26.263 -17.012 1.00 14.13 H new ATOM 0 HG12 ILE A 82 -35.062 25.232 -19.738 1.00 53.32 H new ATOM 0 HG13 ILE A 82 -35.372 26.907 -19.325 1.00 53.32 H new ATOM 0 HG21 ILE A 82 -34.448 24.296 -16.848 1.00 4.34 H new ATOM 0 HG22 ILE A 82 -36.121 23.906 -16.380 1.00 4.34 H new ATOM 0 HG23 ILE A 82 -35.505 23.414 -17.976 1.00 4.34 H new ATOM 0 HD11 ILE A 82 -32.971 26.439 -19.346 1.00 33.21 H new ATOM 0 HD12 ILE A 82 -33.510 26.866 -17.704 1.00 33.21 H new ATOM 0 HD13 ILE A 82 -33.195 25.165 -18.124 1.00 33.21 H new ATOM 1378 N ALA A 83 -37.720 27.218 -19.859 1.00 74.21 N ATOM 1379 CA ALA A 83 -38.193 28.529 -20.286 1.00 44.20 C ATOM 1380 C ALA A 83 -39.714 28.616 -20.212 1.00 65.01 C ATOM 1381 O ALA A 83 -40.266 29.596 -19.714 1.00 13.42 O ATOM 1382 CB ALA A 83 -37.713 28.829 -21.698 1.00 53.31 C ATOM 0 H ALA A 83 -37.224 26.693 -20.579 1.00 74.21 H new ATOM 0 HA ALA A 83 -37.780 29.275 -19.607 1.00 44.20 H new ATOM 0 HB1 ALA A 83 -38.074 29.811 -22.004 1.00 53.31 H new ATOM 0 HB2 ALA A 83 -36.623 28.819 -21.722 1.00 53.31 H new ATOM 0 HB3 ALA A 83 -38.098 28.072 -22.382 1.00 53.31 H new ATOM 1388 N ARG A 84 -40.385 27.584 -20.712 1.00 65.15 N ATOM 1389 CA ARG A 84 -41.842 27.545 -20.706 1.00 20.44 C ATOM 1390 C ARG A 84 -42.372 27.294 -19.297 1.00 12.31 C ATOM 1391 O ARG A 84 -43.338 27.925 -18.866 1.00 54.34 O ATOM 1392 CB ARG A 84 -42.349 26.455 -21.653 1.00 15.42 C ATOM 1393 CG ARG A 84 -43.432 26.934 -22.606 1.00 51.01 C ATOM 1394 CD ARG A 84 -43.406 26.158 -23.914 1.00 32.54 C ATOM 1395 NE ARG A 84 -44.739 25.716 -24.315 1.00 34.43 N ATOM 1396 CZ ARG A 84 -45.687 26.539 -24.749 1.00 54.42 C ATOM 1397 NH1 ARG A 84 -45.448 27.841 -24.840 1.00 11.44 N ATOM 1398 NH2 ARG A 84 -46.875 26.062 -25.096 1.00 13.10 N ATOM 0 H ARG A 84 -39.943 26.764 -21.126 1.00 65.15 H new ATOM 0 HA ARG A 84 -42.208 28.513 -21.048 1.00 20.44 H new ATOM 0 HB2 ARG A 84 -41.510 26.070 -22.233 1.00 15.42 H new ATOM 0 HB3 ARG A 84 -42.737 25.624 -21.063 1.00 15.42 H new ATOM 0 HG2 ARG A 84 -44.408 26.822 -22.135 1.00 51.01 H new ATOM 0 HG3 ARG A 84 -43.296 27.996 -22.809 1.00 51.01 H new ATOM 0 HD2 ARG A 84 -42.980 26.784 -24.698 1.00 32.54 H new ATOM 0 HD3 ARG A 84 -42.753 25.291 -23.808 1.00 32.54 H new ATOM 0 HE ARG A 84 -44.954 24.720 -24.259 1.00 34.43 H new ATOM 0 HH11 ARG A 84 -44.535 28.212 -24.576 1.00 11.44 H new ATOM 0 HH12 ARG A 84 -46.177 28.471 -25.174 1.00 11.44 H new ATOM 0 HH21 ARG A 84 -47.062 25.061 -25.030 1.00 13.10 H new ATOM 0 HH22 ARG A 84 -47.602 26.696 -25.429 1.00 13.10 H new ATOM 1412 N GLN A 85 -41.734 26.370 -18.585 1.00 15.24 N ATOM 1413 CA GLN A 85 -42.143 26.038 -17.226 1.00 25.32 C ATOM 1414 C GLN A 85 -42.158 27.280 -16.341 1.00 4.34 C ATOM 1415 O GLN A 85 -43.176 27.610 -15.733 1.00 2.03 O ATOM 1416 CB GLN A 85 -41.205 24.985 -16.633 1.00 23.13 C ATOM 1417 CG GLN A 85 -41.657 24.460 -15.279 1.00 71.13 C ATOM 1418 CD GLN A 85 -43.117 24.050 -15.272 1.00 24.32 C ATOM 1419 OE1 GLN A 85 -43.564 23.286 -16.128 1.00 42.34 O ATOM 1420 NE2 GLN A 85 -43.870 24.556 -14.302 1.00 5.33 N ATOM 0 H GLN A 85 -40.933 25.839 -18.927 1.00 15.24 H new ATOM 0 HA GLN A 85 -43.154 25.633 -17.267 1.00 25.32 H new ATOM 0 HB2 GLN A 85 -41.124 24.150 -17.329 1.00 23.13 H new ATOM 0 HB3 GLN A 85 -40.208 25.414 -16.533 1.00 23.13 H new ATOM 0 HG2 GLN A 85 -41.042 23.604 -15.001 1.00 71.13 H new ATOM 0 HG3 GLN A 85 -41.495 25.228 -14.523 1.00 71.13 H new ATOM 0 HE21 GLN A 85 -43.459 25.186 -13.613 1.00 5.33 H new ATOM 0 HE22 GLN A 85 -44.860 24.315 -14.246 1.00 5.33 H new ATOM 1429 N LEU A 86 -41.021 27.964 -16.273 1.00 53.54 N ATOM 1430 CA LEU A 86 -40.902 29.172 -15.464 1.00 30.15 C ATOM 1431 C LEU A 86 -41.534 30.367 -16.170 1.00 42.44 C ATOM 1432 O LEU A 86 -41.837 31.382 -15.544 1.00 40.13 O ATOM 1433 CB LEU A 86 -39.432 29.462 -15.159 1.00 14.42 C ATOM 1434 CG LEU A 86 -38.895 28.901 -13.842 1.00 21.33 C ATOM 1435 CD1 LEU A 86 -39.682 29.457 -12.665 1.00 22.43 C ATOM 1436 CD2 LEU A 86 -38.947 27.380 -13.850 1.00 33.41 C ATOM 0 H LEU A 86 -40.168 27.703 -16.768 1.00 53.54 H new ATOM 0 HA LEU A 86 -41.435 29.006 -14.528 1.00 30.15 H new ATOM 0 HB2 LEU A 86 -38.827 29.063 -15.974 1.00 14.42 H new ATOM 0 HB3 LEU A 86 -39.289 30.543 -15.155 1.00 14.42 H new ATOM 0 HG LEU A 86 -37.855 29.209 -13.735 1.00 21.33 H new ATOM 0 HD11 LEU A 86 -39.286 29.047 -11.736 1.00 22.43 H new ATOM 0 HD12 LEU A 86 -39.594 30.543 -12.649 1.00 22.43 H new ATOM 0 HD13 LEU A 86 -40.731 29.180 -12.766 1.00 22.43 H new ATOM 0 HD21 LEU A 86 -38.561 26.998 -12.905 1.00 33.41 H new ATOM 0 HD22 LEU A 86 -39.978 27.052 -13.980 1.00 33.41 H new ATOM 0 HD23 LEU A 86 -38.339 26.999 -14.671 1.00 33.41 H new ATOM 1448 N GLY A 87 -41.731 30.238 -17.479 1.00 4.53 N ATOM 1449 CA GLY A 87 -42.326 31.314 -18.249 1.00 1.41 C ATOM 1450 C GLY A 87 -41.399 32.505 -18.394 1.00 74.21 C ATOM 1451 O GLY A 87 -41.845 33.652 -18.378 1.00 15.31 O ATOM 0 H GLY A 87 -41.489 29.407 -18.019 1.00 4.53 H new ATOM 0 HA2 GLY A 87 -42.594 30.943 -19.238 1.00 1.41 H new ATOM 0 HA3 GLY A 87 -43.250 31.633 -17.767 1.00 1.41 H new ATOM 1455 N ARG A 88 -40.106 32.233 -18.535 1.00 40.33 N ATOM 1456 CA ARG A 88 -39.115 33.291 -18.681 1.00 2.34 C ATOM 1457 C ARG A 88 -38.533 33.302 -20.091 1.00 64.12 C ATOM 1458 O ARG A 88 -38.537 32.293 -20.798 1.00 64.00 O ATOM 1459 CB ARG A 88 -37.992 33.112 -17.657 1.00 12.13 C ATOM 1460 CG ARG A 88 -38.423 33.392 -16.226 1.00 2.33 C ATOM 1461 CD ARG A 88 -38.747 34.864 -16.019 1.00 51.22 C ATOM 1462 NE ARG A 88 -39.231 35.133 -14.668 1.00 70.32 N ATOM 1463 CZ ARG A 88 -38.459 35.085 -13.588 1.00 11.24 C ATOM 1464 NH1 ARG A 88 -37.174 34.781 -13.700 1.00 10.31 N ATOM 1465 NH2 ARG A 88 -38.973 35.344 -12.392 1.00 75.23 N ATOM 0 H ARG A 88 -39.721 31.289 -18.551 1.00 40.33 H new ATOM 0 HA ARG A 88 -39.612 34.245 -18.504 1.00 2.34 H new ATOM 0 HB2 ARG A 88 -37.613 32.092 -17.720 1.00 12.13 H new ATOM 0 HB3 ARG A 88 -37.167 33.775 -17.916 1.00 12.13 H new ATOM 0 HG2 ARG A 88 -39.298 32.788 -15.984 1.00 2.33 H new ATOM 0 HG3 ARG A 88 -37.630 33.093 -15.541 1.00 2.33 H new ATOM 0 HD2 ARG A 88 -37.856 35.462 -16.211 1.00 51.22 H new ATOM 0 HD3 ARG A 88 -39.501 35.175 -16.743 1.00 51.22 H new ATOM 0 HE ARG A 88 -40.215 35.371 -14.547 1.00 70.32 H new ATOM 0 HH11 ARG A 88 -36.775 34.583 -14.618 1.00 10.31 H new ATOM 0 HH12 ARG A 88 -36.584 34.745 -12.869 1.00 10.31 H new ATOM 0 HH21 ARG A 88 -39.961 35.580 -12.302 1.00 75.23 H new ATOM 0 HH22 ARG A 88 -38.380 35.307 -11.563 1.00 75.23 H new ATOM 1479 N PRO A 89 -38.021 34.467 -20.513 1.00 12.43 N ATOM 1480 CA PRO A 89 -37.427 34.637 -21.842 1.00 11.41 C ATOM 1481 C PRO A 89 -36.104 33.893 -21.985 1.00 4.10 C ATOM 1482 O PRO A 89 -35.470 33.539 -20.991 1.00 12.44 O ATOM 1483 CB PRO A 89 -37.204 36.149 -21.941 1.00 24.41 C ATOM 1484 CG PRO A 89 -37.082 36.606 -20.528 1.00 40.02 C ATOM 1485 CD PRO A 89 -37.983 35.710 -19.723 1.00 43.44 C ATOM 0 HA PRO A 89 -38.066 34.234 -22.628 1.00 11.41 H new ATOM 0 HB2 PRO A 89 -36.304 36.380 -22.511 1.00 24.41 H new ATOM 0 HB3 PRO A 89 -38.036 36.640 -22.446 1.00 24.41 H new ATOM 0 HG2 PRO A 89 -36.051 36.534 -20.182 1.00 40.02 H new ATOM 0 HG3 PRO A 89 -37.380 37.650 -20.428 1.00 40.02 H new ATOM 0 HD2 PRO A 89 -37.588 35.538 -18.722 1.00 43.44 H new ATOM 0 HD3 PRO A 89 -38.977 36.141 -19.604 1.00 43.44 H new ATOM 1493 N GLU A 90 -35.693 33.658 -23.227 1.00 13.44 N ATOM 1494 CA GLU A 90 -34.444 32.955 -23.498 1.00 53.43 C ATOM 1495 C GLU A 90 -33.263 33.678 -22.858 1.00 32.30 C ATOM 1496 O GLU A 90 -32.221 33.076 -22.594 1.00 73.54 O ATOM 1497 CB GLU A 90 -34.222 32.827 -25.006 1.00 54.22 C ATOM 1498 CG GLU A 90 -33.963 31.402 -25.466 1.00 73.21 C ATOM 1499 CD GLU A 90 -33.600 31.320 -26.936 1.00 32.21 C ATOM 1500 OE1 GLU A 90 -34.508 31.463 -27.781 1.00 51.31 O ATOM 1501 OE2 GLU A 90 -32.407 31.111 -27.240 1.00 75.11 O ATOM 0 H GLU A 90 -36.206 33.944 -24.061 1.00 13.44 H new ATOM 0 HA GLU A 90 -34.516 31.958 -23.063 1.00 53.43 H new ATOM 0 HB2 GLU A 90 -35.097 33.214 -25.527 1.00 54.22 H new ATOM 0 HB3 GLU A 90 -33.377 33.452 -25.294 1.00 54.22 H new ATOM 0 HG2 GLU A 90 -33.156 30.974 -24.872 1.00 73.21 H new ATOM 0 HG3 GLU A 90 -34.851 30.797 -25.281 1.00 73.21 H new ATOM 1508 N SER A 91 -33.432 34.973 -22.611 1.00 61.41 N ATOM 1509 CA SER A 91 -32.379 35.780 -22.007 1.00 24.40 C ATOM 1510 C SER A 91 -32.231 35.456 -20.523 1.00 12.41 C ATOM 1511 O SER A 91 -31.132 35.182 -20.042 1.00 25.55 O ATOM 1512 CB SER A 91 -32.681 37.269 -22.188 1.00 2.34 C ATOM 1513 OG SER A 91 -31.556 37.957 -22.709 1.00 24.51 O ATOM 0 H SER A 91 -34.289 35.486 -22.820 1.00 61.41 H new ATOM 0 HA SER A 91 -31.441 35.544 -22.509 1.00 24.40 H new ATOM 0 HB2 SER A 91 -33.530 37.392 -22.860 1.00 2.34 H new ATOM 0 HB3 SER A 91 -32.967 37.705 -21.231 1.00 2.34 H new ATOM 0 HG SER A 91 -31.774 38.906 -22.817 1.00 24.51 H new ATOM 1519 N THR A 92 -33.348 35.491 -19.802 1.00 4.44 N ATOM 1520 CA THR A 92 -33.344 35.203 -18.372 1.00 50.55 C ATOM 1521 C THR A 92 -32.651 33.878 -18.081 1.00 45.22 C ATOM 1522 O THR A 92 -31.759 33.806 -17.233 1.00 53.34 O ATOM 1523 CB THR A 92 -34.775 35.157 -17.806 1.00 72.00 C ATOM 1524 OG1 THR A 92 -35.416 36.424 -17.992 1.00 33.50 O ATOM 1525 CG2 THR A 92 -34.759 34.803 -16.326 1.00 75.12 C ATOM 0 H THR A 92 -34.266 35.716 -20.185 1.00 4.44 H new ATOM 0 HA THR A 92 -32.795 36.010 -17.887 1.00 50.55 H new ATOM 0 HB THR A 92 -35.331 34.387 -18.342 1.00 72.00 H new ATOM 0 HG1 THR A 92 -36.173 36.502 -17.374 1.00 33.50 H new ATOM 0 HG21 THR A 92 -35.781 34.776 -15.947 1.00 75.12 H new ATOM 0 HG22 THR A 92 -34.296 33.825 -16.191 1.00 75.12 H new ATOM 0 HG23 THR A 92 -34.189 35.553 -15.779 1.00 75.12 H new ATOM 1533 N ILE A 93 -33.063 32.831 -18.788 1.00 13.33 N ATOM 1534 CA ILE A 93 -32.480 31.508 -18.604 1.00 40.24 C ATOM 1535 C ILE A 93 -30.984 31.521 -18.902 1.00 11.40 C ATOM 1536 O ILE A 93 -30.178 31.039 -18.106 1.00 52.34 O ATOM 1537 CB ILE A 93 -33.162 30.462 -19.505 1.00 54.32 C ATOM 1538 CG1 ILE A 93 -34.659 30.391 -19.197 1.00 72.52 C ATOM 1539 CG2 ILE A 93 -32.512 29.099 -19.321 1.00 4.11 C ATOM 1540 CD1 ILE A 93 -34.965 29.888 -17.804 1.00 30.15 C ATOM 0 H ILE A 93 -33.798 32.873 -19.494 1.00 13.33 H new ATOM 0 HA ILE A 93 -32.639 31.235 -17.561 1.00 40.24 H new ATOM 0 HB ILE A 93 -33.038 30.764 -20.545 1.00 54.32 H new ATOM 0 HG12 ILE A 93 -35.095 31.382 -19.321 1.00 72.52 H new ATOM 0 HG13 ILE A 93 -35.141 29.738 -19.925 1.00 72.52 H new ATOM 0 HG21 ILE A 93 -33.005 28.371 -19.965 1.00 4.11 H new ATOM 0 HG22 ILE A 93 -31.456 29.161 -19.585 1.00 4.11 H new ATOM 0 HG23 ILE A 93 -32.608 28.788 -18.281 1.00 4.11 H new ATOM 0 HD11 ILE A 93 -36.044 29.864 -17.655 1.00 30.15 H new ATOM 0 HD12 ILE A 93 -34.559 28.884 -17.682 1.00 30.15 H new ATOM 0 HD13 ILE A 93 -34.512 30.554 -17.069 1.00 30.15 H new ATOM 1552 N TYR A 94 -30.620 32.077 -20.052 1.00 52.24 N ATOM 1553 CA TYR A 94 -29.222 32.153 -20.456 1.00 43.43 C ATOM 1554 C TYR A 94 -28.395 32.904 -19.418 1.00 12.11 C ATOM 1555 O TYR A 94 -27.252 32.543 -19.137 1.00 23.43 O ATOM 1556 CB TYR A 94 -29.098 32.839 -21.817 1.00 53.41 C ATOM 1557 CG TYR A 94 -27.674 32.952 -22.312 1.00 44.33 C ATOM 1558 CD1 TYR A 94 -26.853 33.993 -21.896 1.00 15.31 C ATOM 1559 CD2 TYR A 94 -27.149 32.017 -23.195 1.00 2.02 C ATOM 1560 CE1 TYR A 94 -25.551 34.100 -22.346 1.00 74.41 C ATOM 1561 CE2 TYR A 94 -25.848 32.115 -23.649 1.00 4.32 C ATOM 1562 CZ TYR A 94 -25.053 33.159 -23.222 1.00 61.13 C ATOM 1563 OH TYR A 94 -23.756 33.261 -23.672 1.00 73.12 O ATOM 0 H TYR A 94 -31.275 32.482 -20.721 1.00 52.24 H new ATOM 0 HA TYR A 94 -28.838 31.136 -20.534 1.00 43.43 H new ATOM 0 HB2 TYR A 94 -29.685 32.284 -22.549 1.00 53.41 H new ATOM 0 HB3 TYR A 94 -29.531 33.837 -21.752 1.00 53.41 H new ATOM 0 HD1 TYR A 94 -27.239 34.731 -21.209 1.00 15.31 H new ATOM 0 HD2 TYR A 94 -27.769 31.199 -23.532 1.00 2.02 H new ATOM 0 HE1 TYR A 94 -24.927 34.916 -22.013 1.00 74.41 H new ATOM 0 HE2 TYR A 94 -25.455 31.379 -24.334 1.00 4.32 H new ATOM 0 HH TYR A 94 -23.562 32.519 -24.281 1.00 73.12 H new