USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 530 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 68 LYS NZ :NH3+ -101:sc= 0.101 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 TYR OH : rot 15:sc= 0.848 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -129:sc= 1.33 (180deg=0) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.883 K(o=-0.3,f=0.82) USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 14 HIS : no HD1:sc= -0.56 K(o=-0.56,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -179:sc= 0 (180deg=-0.00449) USER MOD Single : A 36 THR OG1 : rot 19:sc= -1.89! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.57 X(o=-3.6,f=-3.4!) USER MOD Single : A 64 TYR OH : rot 60:sc= 0.213 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -99:sc= -0.684 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.627 -1.106 5.773 1.00 0.00 N ATOM 143 CA LEU A 13 6.622 -0.053 5.856 1.00 0.00 C ATOM 144 C LEU A 13 5.777 -0.206 7.117 1.00 0.00 C ATOM 145 O LEU A 13 6.000 -1.111 7.920 1.00 0.00 O ATOM 146 CB LEU A 13 5.721 -0.079 4.619 1.00 0.00 C ATOM 147 CG LEU A 13 6.417 0.288 3.304 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.669 -0.956 2.467 1.00 0.00 C ATOM 149 CD2 LEU A 13 5.587 1.298 2.524 1.00 0.00 C ATOM 0 HA LEU A 13 7.139 0.905 5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.293 -1.077 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.891 0.609 4.778 1.00 0.00 H new ATOM 0 HG LEU A 13 7.379 0.743 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.164 -0.675 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.305 -1.646 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.719 -1.441 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.097 1.547 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.610 0.870 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.459 2.201 3.120 1.00 0.00 H new ATOM 161 N HIS A 14 4.806 0.686 7.283 1.00 0.00 N ATOM 162 CA HIS A 14 3.927 0.652 8.446 1.00 0.00 C ATOM 163 C HIS A 14 2.824 1.697 8.326 1.00 0.00 C ATOM 164 O HIS A 14 2.898 2.599 7.491 1.00 0.00 O ATOM 165 CB HIS A 14 4.732 0.887 9.726 1.00 0.00 C ATOM 166 CG HIS A 14 3.998 0.502 10.973 1.00 0.00 C ATOM 167 ND1 HIS A 14 3.825 1.340 12.053 1.00 0.00 N ATOM 168 CD2 HIS A 14 3.382 -0.663 11.301 1.00 0.00 C ATOM 169 CE1 HIS A 14 3.128 0.674 12.983 1.00 0.00 C ATOM 170 NE2 HIS A 14 2.833 -0.546 12.576 1.00 0.00 N ATOM 0 H HIS A 14 4.608 1.441 6.627 1.00 0.00 H new ATOM 0 HA HIS A 14 3.464 -0.334 8.492 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.661 0.319 9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.005 1.940 9.785 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.327 -1.540 10.673 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.844 1.083 13.942 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.311 -1.257 13.089 1.00 0.00 H new ATOM 178 N GLU A 15 1.802 1.572 9.165 1.00 0.00 N ATOM 179 CA GLU A 15 0.683 2.506 9.153 1.00 0.00 C ATOM 180 C GLU A 15 1.143 3.912 9.526 1.00 0.00 C ATOM 181 O GLU A 15 1.313 4.228 10.703 1.00 0.00 O ATOM 182 CB GLU A 15 -0.408 2.042 10.119 1.00 0.00 C ATOM 183 CG GLU A 15 -1.003 0.690 9.759 1.00 0.00 C ATOM 184 CD GLU A 15 -0.904 -0.314 10.892 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.175 -0.399 11.516 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.904 -1.013 11.156 1.00 0.00 O ATOM 0 H GLU A 15 1.726 0.832 9.863 1.00 0.00 H new ATOM 0 HA GLU A 15 0.276 2.532 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.007 1.991 11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.204 2.786 10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.050 0.820 9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.490 0.294 8.882 1.00 0.00 H new ATOM 193 N GLY A 16 1.344 4.751 8.515 1.00 0.00 N ATOM 194 CA GLY A 16 1.783 6.113 8.756 1.00 0.00 C ATOM 195 C GLY A 16 3.012 6.480 7.947 1.00 0.00 C ATOM 196 O GLY A 16 3.975 7.028 8.483 1.00 0.00 O ATOM 0 H GLY A 16 1.211 4.512 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.973 6.801 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.000 6.239 9.817 1.00 0.00 H new ATOM 200 N SER A 17 2.977 6.177 6.654 1.00 0.00 N ATOM 201 CA SER A 17 4.098 6.477 5.769 1.00 0.00 C ATOM 202 C SER A 17 3.610 7.131 4.480 1.00 0.00 C ATOM 203 O SER A 17 2.425 7.079 4.155 1.00 0.00 O ATOM 204 CB SER A 17 4.876 5.201 5.444 1.00 0.00 C ATOM 205 OG SER A 17 5.734 4.841 6.513 1.00 0.00 O ATOM 0 H SER A 17 2.186 5.725 6.195 1.00 0.00 H new ATOM 0 HA SER A 17 4.759 7.174 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.179 4.387 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.462 5.350 4.537 1.00 0.00 H new ATOM 0 HG SER A 17 6.219 4.021 6.282 1.00 0.00 H new ATOM 211 N GLN A 18 4.534 7.748 3.750 1.00 0.00 N ATOM 212 CA GLN A 18 4.200 8.413 2.496 1.00 0.00 C ATOM 213 C GLN A 18 4.935 7.768 1.325 1.00 0.00 C ATOM 214 O GLN A 18 6.161 7.823 1.244 1.00 0.00 O ATOM 215 CB GLN A 18 4.549 9.901 2.574 1.00 0.00 C ATOM 216 CG GLN A 18 3.551 10.719 3.378 1.00 0.00 C ATOM 217 CD GLN A 18 2.134 10.583 2.858 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.698 11.351 2.000 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.404 9.603 3.377 1.00 0.00 N ATOM 0 H GLN A 18 5.520 7.801 4.006 1.00 0.00 H new ATOM 0 HA GLN A 18 3.128 8.306 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.538 10.011 3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.607 10.305 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.584 10.403 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.844 11.769 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.805 8.989 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.442 9.464 3.067 1.00 0.00 H new ATOM 228 N VAL A 19 4.177 7.155 0.421 1.00 0.00 N ATOM 229 CA VAL A 19 4.757 6.497 -0.743 1.00 0.00 C ATOM 230 C VAL A 19 4.337 7.193 -2.034 1.00 0.00 C ATOM 231 O VAL A 19 3.455 8.051 -2.030 1.00 0.00 O ATOM 232 CB VAL A 19 4.347 5.016 -0.815 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.927 4.242 0.358 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.831 4.883 -0.855 1.00 0.00 C ATOM 0 H VAL A 19 3.160 7.101 0.473 1.00 0.00 H new ATOM 0 HA VAL A 19 5.840 6.560 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 19 4.751 4.591 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.626 3.197 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.015 4.308 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.557 4.665 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.559 3.829 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.403 5.325 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.443 5.400 -1.733 1.00 0.00 H new ATOM 244 N LEU A 20 4.976 6.814 -3.136 1.00 0.00 N ATOM 245 CA LEU A 20 4.669 7.399 -4.436 1.00 0.00 C ATOM 246 C LEU A 20 4.646 6.327 -5.522 1.00 0.00 C ATOM 247 O LEU A 20 5.362 5.329 -5.438 1.00 0.00 O ATOM 248 CB LEU A 20 5.696 8.476 -4.789 1.00 0.00 C ATOM 249 CG LEU A 20 5.511 9.122 -6.163 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.373 10.130 -6.129 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.802 9.788 -6.616 1.00 0.00 C ATOM 0 H LEU A 20 5.709 6.105 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 20 3.680 7.854 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.657 9.257 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.692 8.036 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 20 5.257 8.341 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.256 10.580 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.448 9.626 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.598 10.908 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.653 10.243 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.086 10.558 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.594 9.041 -6.679 1.00 0.00 H new ATOM 263 N LEU A 21 3.818 6.539 -6.539 1.00 0.00 N ATOM 264 CA LEU A 21 3.701 5.590 -7.640 1.00 0.00 C ATOM 265 C LEU A 21 4.606 5.990 -8.801 1.00 0.00 C ATOM 266 O LEU A 21 4.527 7.110 -9.305 1.00 0.00 O ATOM 267 CB LEU A 21 2.250 5.503 -8.115 1.00 0.00 C ATOM 268 CG LEU A 21 1.233 5.153 -7.027 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.186 5.346 -7.540 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.438 3.723 -6.550 1.00 0.00 C ATOM 0 H LEU A 21 3.218 7.359 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 21 4.016 4.611 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.971 6.459 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.186 4.755 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 21 1.386 5.825 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.895 5.092 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.328 6.386 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.353 4.699 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.707 3.489 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.311 3.038 -7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.444 3.616 -6.143 1.00 0.00 H new ATOM 282 N THR A 22 5.462 5.065 -9.222 1.00 0.00 N ATOM 283 CA THR A 22 6.382 5.320 -10.326 1.00 0.00 C ATOM 284 C THR A 22 5.626 5.441 -11.645 1.00 0.00 C ATOM 285 O THR A 22 6.028 6.190 -12.536 1.00 0.00 O ATOM 286 CB THR A 22 7.419 4.201 -10.420 1.00 0.00 C ATOM 287 OG1 THR A 22 8.209 4.347 -11.587 1.00 0.00 O ATOM 288 CG2 THR A 22 6.808 2.818 -10.449 1.00 0.00 C ATOM 0 H THR A 22 5.538 4.132 -8.816 1.00 0.00 H new ATOM 0 HA THR A 22 6.892 6.263 -10.132 1.00 0.00 H new ATOM 0 HB THR A 22 8.025 4.293 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.868 3.623 -11.629 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.600 2.072 -10.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.233 2.655 -9.538 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.151 2.729 -11.314 1.00 0.00 H new ATOM 296 N SER A 23 4.530 4.698 -11.762 1.00 0.00 N ATOM 297 CA SER A 23 3.716 4.721 -12.972 1.00 0.00 C ATOM 298 C SER A 23 2.434 5.519 -12.748 1.00 0.00 C ATOM 299 O SER A 23 1.340 5.063 -13.079 1.00 0.00 O ATOM 300 CB SER A 23 3.380 3.294 -13.410 1.00 0.00 C ATOM 301 OG SER A 23 3.553 3.134 -14.807 1.00 0.00 O ATOM 0 H SER A 23 4.185 4.073 -11.034 1.00 0.00 H new ATOM 0 HA SER A 23 4.289 5.208 -13.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.018 2.588 -12.878 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.350 3.060 -13.139 1.00 0.00 H new ATOM 0 HG SER A 23 3.333 2.213 -15.060 1.00 0.00 H new ATOM 307 N SER A 24 2.581 6.713 -12.183 1.00 0.00 N ATOM 308 CA SER A 24 1.436 7.578 -11.912 1.00 0.00 C ATOM 309 C SER A 24 1.885 8.890 -11.279 1.00 0.00 C ATOM 310 O SER A 24 1.319 9.948 -11.556 1.00 0.00 O ATOM 311 CB SER A 24 0.440 6.869 -10.991 1.00 0.00 C ATOM 312 OG SER A 24 -0.892 7.245 -11.294 1.00 0.00 O ATOM 0 H SER A 24 3.481 7.104 -11.904 1.00 0.00 H new ATOM 0 HA SER A 24 0.948 7.800 -12.861 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.549 5.789 -11.095 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.663 7.113 -9.952 1.00 0.00 H new ATOM 0 HG SER A 24 -1.509 6.777 -10.693 1.00 0.00 H new ATOM 318 N ASN A 25 2.901 8.814 -10.426 1.00 0.00 N ATOM 319 CA ASN A 25 3.426 9.997 -9.751 1.00 0.00 C ATOM 320 C ASN A 25 2.363 10.627 -8.856 1.00 0.00 C ATOM 321 O ASN A 25 2.124 11.834 -8.912 1.00 0.00 O ATOM 322 CB ASN A 25 3.924 11.019 -10.776 1.00 0.00 C ATOM 323 CG ASN A 25 5.118 10.514 -11.562 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.010 10.212 -12.751 1.00 0.00 O ATOM 325 ND2 ASN A 25 6.265 10.421 -10.900 1.00 0.00 N ATOM 0 H ASN A 25 3.378 7.945 -10.185 1.00 0.00 H new ATOM 0 HA ASN A 25 4.264 9.687 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.115 11.262 -11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.194 11.942 -10.263 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.103 10.088 -11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.308 10.682 -9.915 1.00 0.00 H new ATOM 332 N GLU A 26 1.729 9.802 -8.030 1.00 0.00 N ATOM 333 CA GLU A 26 0.692 10.276 -7.121 1.00 0.00 C ATOM 334 C GLU A 26 0.927 9.751 -5.708 1.00 0.00 C ATOM 335 O GLU A 26 0.714 8.570 -5.432 1.00 0.00 O ATOM 336 CB GLU A 26 -0.689 9.842 -7.617 1.00 0.00 C ATOM 337 CG GLU A 26 -1.119 10.534 -8.899 1.00 0.00 C ATOM 338 CD GLU A 26 -1.564 11.965 -8.670 1.00 0.00 C ATOM 339 OE1 GLU A 26 -0.886 12.683 -7.905 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.593 12.367 -9.255 1.00 0.00 O ATOM 0 H GLU A 26 1.915 8.801 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 26 0.735 11.365 -7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.686 8.764 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.426 10.045 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.291 10.524 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.935 9.972 -9.354 1.00 0.00 H new ATOM 347 N MET A 27 1.368 10.635 -4.820 1.00 0.00 N ATOM 348 CA MET A 27 1.634 10.260 -3.435 1.00 0.00 C ATOM 349 C MET A 27 0.372 9.730 -2.762 1.00 0.00 C ATOM 350 O MET A 27 -0.739 10.152 -3.083 1.00 0.00 O ATOM 351 CB MET A 27 2.176 11.459 -2.656 1.00 0.00 C ATOM 352 CG MET A 27 3.603 11.831 -3.025 1.00 0.00 C ATOM 353 SD MET A 27 4.455 12.713 -1.703 1.00 0.00 S ATOM 354 CE MET A 27 5.521 11.424 -1.068 1.00 0.00 C ATOM 0 H MET A 27 1.549 11.616 -5.034 1.00 0.00 H new ATOM 0 HA MET A 27 2.383 9.468 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.529 12.318 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.131 11.239 -1.589 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.159 10.926 -3.269 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.593 12.450 -3.922 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.101 11.811 -0.231 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.914 10.583 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.198 11.091 -1.855 1.00 0.00 H new ATOM 364 N ALA A 28 0.552 8.802 -1.829 1.00 0.00 N ATOM 365 CA ALA A 28 -0.572 8.213 -1.110 1.00 0.00 C ATOM 366 C ALA A 28 -0.147 7.732 0.273 1.00 0.00 C ATOM 367 O ALA A 28 1.002 7.342 0.479 1.00 0.00 O ATOM 368 CB ALA A 28 -1.165 7.063 -1.911 1.00 0.00 C ATOM 0 H ALA A 28 1.465 8.441 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.333 8.983 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.003 6.632 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.514 7.433 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.404 6.299 -2.069 1.00 0.00 H new ATOM 374 N THR A 29 -1.081 7.763 1.218 1.00 0.00 N ATOM 375 CA THR A 29 -0.803 7.330 2.582 1.00 0.00 C ATOM 376 C THR A 29 -1.059 5.838 2.743 1.00 0.00 C ATOM 377 O THR A 29 -1.991 5.289 2.156 1.00 0.00 O ATOM 378 CB THR A 29 -1.658 8.118 3.575 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.489 9.512 3.387 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.336 7.808 5.020 1.00 0.00 C ATOM 0 H THR A 29 -2.037 8.084 1.064 1.00 0.00 H new ATOM 0 HA THR A 29 0.250 7.522 2.789 1.00 0.00 H new ATOM 0 HB THR A 29 -2.686 7.814 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.045 9.999 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.978 8.401 5.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.505 6.748 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.293 8.051 5.221 1.00 0.00 H new ATOM 388 N VAL A 30 -0.222 5.186 3.543 1.00 0.00 N ATOM 389 CA VAL A 30 -0.355 3.756 3.780 1.00 0.00 C ATOM 390 C VAL A 30 -1.277 3.479 4.963 1.00 0.00 C ATOM 391 O VAL A 30 -1.104 4.044 6.043 1.00 0.00 O ATOM 392 CB VAL A 30 1.013 3.099 4.044 1.00 0.00 C ATOM 393 CG1 VAL A 30 0.879 1.586 4.092 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.021 3.521 2.985 1.00 0.00 C ATOM 0 H VAL A 30 0.554 5.626 4.037 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.787 3.325 2.877 1.00 0.00 H new ATOM 0 HB VAL A 30 1.377 3.438 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.856 1.140 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.193 1.307 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.492 1.225 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.982 3.047 3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.665 3.214 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.139 4.604 3.006 1.00 0.00 H new ATOM 404 N ARG A 31 -2.256 2.605 4.752 1.00 0.00 N ATOM 405 CA ARG A 31 -3.205 2.253 5.803 1.00 0.00 C ATOM 406 C ARG A 31 -2.972 0.827 6.291 1.00 0.00 C ATOM 407 O ARG A 31 -3.021 0.555 7.490 1.00 0.00 O ATOM 408 CB ARG A 31 -4.639 2.402 5.293 1.00 0.00 C ATOM 409 CG ARG A 31 -5.021 3.834 4.959 1.00 0.00 C ATOM 410 CD ARG A 31 -5.306 4.643 6.214 1.00 0.00 C ATOM 411 NE ARG A 31 -6.494 4.163 6.916 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.057 4.798 7.942 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.542 5.938 8.389 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.137 4.292 8.523 1.00 0.00 N ATOM 0 H ARG A 31 -2.413 2.128 3.864 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.051 2.934 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.765 1.784 4.404 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.326 2.018 6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.215 4.305 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.901 3.836 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.445 4.593 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.441 5.691 5.947 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.917 3.290 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.711 6.331 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.977 6.421 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.536 3.417 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.568 4.778 9.309 1.00 0.00 H new ATOM 428 N TYR A 32 -2.719 -0.080 5.352 1.00 0.00 N ATOM 429 CA TYR A 32 -2.479 -1.479 5.687 1.00 0.00 C ATOM 430 C TYR A 32 -1.215 -1.992 5.004 1.00 0.00 C ATOM 431 O TYR A 32 -0.845 -1.524 3.928 1.00 0.00 O ATOM 432 CB TYR A 32 -3.678 -2.336 5.278 1.00 0.00 C ATOM 433 CG TYR A 32 -3.530 -3.797 5.640 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.195 -4.181 6.933 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.727 -4.791 4.691 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.060 -5.514 7.269 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.594 -6.128 5.019 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.260 -6.483 6.308 1.00 0.00 C ATOM 439 OH TYR A 32 -3.126 -7.812 6.638 1.00 0.00 O ATOM 0 H TYR A 32 -2.675 0.129 4.355 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.342 -1.551 6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.575 -1.941 5.755 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.825 -2.250 4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.038 -3.425 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.988 -4.516 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.799 -5.796 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.751 -6.889 4.269 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.126 -7.909 7.613 1.00 0.00 H new ATOM 449 N VAL A 33 -0.557 -2.957 5.638 1.00 0.00 N ATOM 450 CA VAL A 33 0.665 -3.536 5.092 1.00 0.00 C ATOM 451 C VAL A 33 0.693 -5.047 5.288 1.00 0.00 C ATOM 452 O VAL A 33 0.865 -5.535 6.405 1.00 0.00 O ATOM 453 CB VAL A 33 1.917 -2.921 5.745 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.176 -3.387 5.030 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.828 -1.403 5.747 1.00 0.00 C ATOM 0 H VAL A 33 -0.850 -3.355 6.531 1.00 0.00 H new ATOM 0 HA VAL A 33 0.673 -3.311 4.025 1.00 0.00 H new ATOM 0 HB VAL A 33 1.968 -3.260 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.050 -2.942 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.246 -4.473 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.136 -3.080 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.721 -0.987 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.751 -1.042 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.948 -1.091 6.309 1.00 0.00 H new ATOM 465 N GLY A 34 0.523 -5.784 4.195 1.00 0.00 N ATOM 466 CA GLY A 34 0.533 -7.233 4.269 1.00 0.00 C ATOM 467 C GLY A 34 -0.119 -7.879 3.060 1.00 0.00 C ATOM 468 O GLY A 34 -0.542 -7.185 2.136 1.00 0.00 O ATOM 0 H GLY A 34 0.379 -5.404 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.562 -7.583 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.013 -7.551 5.172 1.00 0.00 H new ATOM 472 N PRO A 35 -0.214 -9.220 3.038 1.00 0.00 N ATOM 473 CA PRO A 35 -0.825 -9.950 1.923 1.00 0.00 C ATOM 474 C PRO A 35 -2.216 -9.428 1.579 1.00 0.00 C ATOM 475 O PRO A 35 -2.703 -8.480 2.196 1.00 0.00 O ATOM 476 CB PRO A 35 -0.906 -11.388 2.439 1.00 0.00 C ATOM 477 CG PRO A 35 0.173 -11.485 3.460 1.00 0.00 C ATOM 478 CD PRO A 35 0.264 -10.127 4.098 1.00 0.00 C ATOM 0 HA PRO A 35 -0.248 -9.845 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.883 -11.598 2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.755 -12.107 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.059 -12.249 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.121 -11.764 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.355 -10.061 4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.285 -9.892 4.398 1.00 0.00 H new ATOM 486 N THR A 36 -2.849 -10.051 0.591 1.00 0.00 N ATOM 487 CA THR A 36 -4.185 -9.649 0.166 1.00 0.00 C ATOM 488 C THR A 36 -5.097 -10.862 0.021 1.00 0.00 C ATOM 489 O THR A 36 -4.629 -11.998 -0.058 1.00 0.00 O ATOM 490 CB THR A 36 -4.114 -8.888 -1.158 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.400 -9.634 -2.127 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.445 -7.535 -1.035 1.00 0.00 C ATOM 0 H THR A 36 -2.459 -10.836 0.070 1.00 0.00 H new ATOM 0 HA THR A 36 -4.601 -8.994 0.931 1.00 0.00 H new ATOM 0 HB THR A 36 -5.150 -8.737 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.373 -10.576 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.427 -7.048 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.001 -6.917 -0.330 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.424 -7.665 -0.676 1.00 0.00 H new ATOM 500 N ASP A 37 -6.403 -10.613 -0.015 1.00 0.00 N ATOM 501 CA ASP A 37 -7.381 -11.686 -0.152 1.00 0.00 C ATOM 502 C ASP A 37 -7.524 -12.109 -1.611 1.00 0.00 C ATOM 503 O ASP A 37 -7.714 -13.288 -1.909 1.00 0.00 O ATOM 504 CB ASP A 37 -8.738 -11.240 0.397 1.00 0.00 C ATOM 505 CG ASP A 37 -9.659 -12.410 0.682 1.00 0.00 C ATOM 506 OD1 ASP A 37 -10.364 -12.851 -0.249 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.674 -12.885 1.837 1.00 0.00 O ATOM 0 H ASP A 37 -6.807 -9.679 0.049 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.027 -12.542 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.586 -10.669 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.215 -10.572 -0.320 1.00 0.00 H new ATOM 512 N PHE A 38 -7.432 -11.139 -2.515 1.00 0.00 N ATOM 513 CA PHE A 38 -7.551 -11.412 -3.942 1.00 0.00 C ATOM 514 C PHE A 38 -6.208 -11.836 -4.530 1.00 0.00 C ATOM 515 O PHE A 38 -6.130 -12.796 -5.295 1.00 0.00 O ATOM 516 CB PHE A 38 -8.074 -10.176 -4.677 1.00 0.00 C ATOM 517 CG PHE A 38 -7.151 -8.994 -4.597 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.234 -8.102 -3.541 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.199 -8.775 -5.581 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.385 -7.014 -3.465 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.348 -7.688 -5.511 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.441 -6.807 -4.452 1.00 0.00 C ATOM 0 H PHE A 38 -7.276 -10.158 -2.285 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.259 -12.231 -4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.237 -10.429 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.043 -9.899 -4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.971 -8.258 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.122 -9.461 -6.411 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.460 -6.327 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.611 -7.528 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.777 -5.957 -4.395 1.00 0.00 H new ATOM 532 N ALA A 39 -5.154 -11.113 -4.164 1.00 0.00 N ATOM 533 CA ALA A 39 -3.814 -11.415 -4.654 1.00 0.00 C ATOM 534 C ALA A 39 -3.002 -12.166 -3.605 1.00 0.00 C ATOM 535 O ALA A 39 -3.480 -12.416 -2.499 1.00 0.00 O ATOM 536 CB ALA A 39 -3.101 -10.134 -5.059 1.00 0.00 C ATOM 0 H ALA A 39 -5.202 -10.315 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.909 -12.058 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.102 -10.373 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.665 -9.637 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.024 -9.472 -4.196 1.00 0.00 H new ATOM 542 N SER A 40 -1.772 -12.523 -3.959 1.00 0.00 N ATOM 543 CA SER A 40 -0.893 -13.245 -3.048 1.00 0.00 C ATOM 544 C SER A 40 0.526 -12.688 -3.106 1.00 0.00 C ATOM 545 O SER A 40 1.313 -13.057 -3.978 1.00 0.00 O ATOM 546 CB SER A 40 -0.883 -14.736 -3.392 1.00 0.00 C ATOM 547 OG SER A 40 -0.282 -15.494 -2.356 1.00 0.00 O ATOM 0 H SER A 40 -1.361 -12.324 -4.871 1.00 0.00 H new ATOM 0 HA SER A 40 -1.274 -13.115 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.904 -15.082 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.341 -14.894 -4.324 1.00 0.00 H new ATOM 0 HG SER A 40 -0.289 -16.443 -2.599 1.00 0.00 H new ATOM 553 N GLY A 41 0.846 -11.799 -2.172 1.00 0.00 N ATOM 554 CA GLY A 41 2.169 -11.206 -2.135 1.00 0.00 C ATOM 555 C GLY A 41 2.274 -10.089 -1.116 1.00 0.00 C ATOM 556 O GLY A 41 1.768 -10.206 0.000 1.00 0.00 O ATOM 0 H GLY A 41 0.212 -11.479 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.903 -11.977 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.418 -10.818 -3.123 1.00 0.00 H new ATOM 560 N ILE A 42 2.935 -9.002 -1.501 1.00 0.00 N ATOM 561 CA ILE A 42 3.107 -7.856 -0.614 1.00 0.00 C ATOM 562 C ILE A 42 2.443 -6.612 -1.192 1.00 0.00 C ATOM 563 O ILE A 42 2.950 -6.008 -2.137 1.00 0.00 O ATOM 564 CB ILE A 42 4.598 -7.560 -0.358 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.330 -8.833 0.074 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.751 -6.472 0.694 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.697 -8.987 -0.556 1.00 0.00 C ATOM 0 H ILE A 42 3.360 -8.890 -2.421 1.00 0.00 H new ATOM 0 HA ILE A 42 2.630 -8.113 0.332 1.00 0.00 H new ATOM 0 HB ILE A 42 5.045 -7.205 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.437 -8.831 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.720 -9.699 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.810 -6.275 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.263 -5.561 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.290 -6.799 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.157 -9.910 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.596 -9.021 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.324 -8.140 -0.277 1.00 0.00 H new ATOM 579 N TRP A 43 1.307 -6.232 -0.616 1.00 0.00 N ATOM 580 CA TRP A 43 0.573 -5.058 -1.075 1.00 0.00 C ATOM 581 C TRP A 43 0.308 -4.097 0.080 1.00 0.00 C ATOM 582 O TRP A 43 0.351 -4.486 1.248 1.00 0.00 O ATOM 583 CB TRP A 43 -0.751 -5.476 -1.718 1.00 0.00 C ATOM 584 CG TRP A 43 -0.580 -6.440 -2.852 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.362 -7.785 -2.759 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.615 -6.134 -4.250 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.257 -8.333 -4.014 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.410 -7.340 -4.947 1.00 0.00 C ATOM 589 CE3 TRP A 43 -0.800 -4.957 -4.982 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.385 -7.402 -6.338 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -0.776 -5.020 -6.362 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.570 -6.235 -7.029 1.00 0.00 C ATOM 0 H TRP A 43 0.875 -6.720 0.169 1.00 0.00 H new ATOM 0 HA TRP A 43 1.184 -4.547 -1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.389 -5.928 -0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.268 -4.587 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.284 -8.337 -1.834 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.092 -9.319 -4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.959 -4.015 -4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.225 -8.338 -6.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.919 -4.117 -6.937 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.557 -6.251 -8.109 1.00 0.00 H new ATOM 603 N LEU A 44 0.035 -2.840 -0.254 1.00 0.00 N ATOM 604 CA LEU A 44 -0.238 -1.823 0.755 1.00 0.00 C ATOM 605 C LEU A 44 -1.550 -1.104 0.462 1.00 0.00 C ATOM 606 O LEU A 44 -1.743 -0.559 -0.625 1.00 0.00 O ATOM 607 CB LEU A 44 0.910 -0.812 0.812 1.00 0.00 C ATOM 608 CG LEU A 44 2.311 -1.415 0.699 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.344 -0.324 0.468 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.648 -2.215 1.948 1.00 0.00 C ATOM 0 H LEU A 44 -0.003 -2.501 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.325 -2.319 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.777 -0.088 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.843 -0.262 1.750 1.00 0.00 H new ATOM 0 HG LEU A 44 2.328 -2.090 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.335 -0.772 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.112 0.207 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.327 0.376 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.648 -2.637 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.613 -1.561 2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.924 -3.021 2.070 1.00 0.00 H new ATOM 622 N GLY A 45 -2.451 -1.107 1.440 1.00 0.00 N ATOM 623 CA GLY A 45 -3.734 -0.452 1.267 1.00 0.00 C ATOM 624 C GLY A 45 -3.626 1.059 1.317 1.00 0.00 C ATOM 625 O GLY A 45 -3.811 1.667 2.372 1.00 0.00 O ATOM 0 H GLY A 45 -2.315 -1.551 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.165 -0.751 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.419 -0.790 2.045 1.00 0.00 H new ATOM 629 N LEU A 46 -3.323 1.667 0.175 1.00 0.00 N ATOM 630 CA LEU A 46 -3.191 3.117 0.092 1.00 0.00 C ATOM 631 C LEU A 46 -4.554 3.793 0.181 1.00 0.00 C ATOM 632 O LEU A 46 -5.592 3.142 0.056 1.00 0.00 O ATOM 633 CB LEU A 46 -2.495 3.513 -1.211 1.00 0.00 C ATOM 634 CG LEU A 46 -1.037 3.063 -1.330 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.527 3.276 -2.747 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.167 3.810 -0.330 1.00 0.00 C ATOM 0 H LEU A 46 -3.164 1.178 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.585 3.451 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.057 3.096 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.534 4.598 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.985 1.998 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.511 2.951 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.134 2.697 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.592 4.334 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.867 3.478 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.225 4.881 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.519 3.607 0.681 1.00 0.00 H new ATOM 648 N GLU A 47 -4.546 5.106 0.396 1.00 0.00 N ATOM 649 CA GLU A 47 -5.783 5.870 0.501 1.00 0.00 C ATOM 650 C GLU A 47 -5.607 7.272 -0.074 1.00 0.00 C ATOM 651 O GLU A 47 -5.049 8.155 0.579 1.00 0.00 O ATOM 652 CB GLU A 47 -6.233 5.954 1.961 1.00 0.00 C ATOM 653 CG GLU A 47 -7.709 5.655 2.161 1.00 0.00 C ATOM 654 CD GLU A 47 -8.170 5.917 3.582 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.721 5.193 4.495 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.981 6.847 3.781 1.00 0.00 O ATOM 0 H GLU A 47 -3.697 5.661 0.501 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.550 5.355 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.645 5.254 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.018 6.953 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.296 6.265 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.903 4.613 1.906 1.00 0.00 H new ATOM 663 N LEU A 48 -6.085 7.469 -1.297 1.00 0.00 N ATOM 664 CA LEU A 48 -5.981 8.764 -1.960 1.00 0.00 C ATOM 665 C LEU A 48 -7.097 9.698 -1.507 1.00 0.00 C ATOM 666 O LEU A 48 -8.115 9.254 -0.974 1.00 0.00 O ATOM 667 CB LEU A 48 -6.031 8.588 -3.479 1.00 0.00 C ATOM 668 CG LEU A 48 -5.176 7.445 -4.027 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.410 7.272 -5.520 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.703 7.697 -3.742 1.00 0.00 C ATOM 0 H LEU A 48 -6.549 6.748 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.025 9.210 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.066 8.422 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.710 9.518 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.470 6.523 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.793 6.454 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.461 7.045 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.144 8.193 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.110 6.873 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.395 8.628 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.548 7.770 -2.666 1.00 0.00 H new ATOM 682 N ARG A 49 -6.901 10.995 -1.723 1.00 0.00 N ATOM 683 CA ARG A 49 -7.892 11.993 -1.336 1.00 0.00 C ATOM 684 C ARG A 49 -8.841 12.294 -2.493 1.00 0.00 C ATOM 685 O ARG A 49 -10.009 12.617 -2.282 1.00 0.00 O ATOM 686 CB ARG A 49 -7.200 13.279 -0.879 1.00 0.00 C ATOM 687 CG ARG A 49 -7.838 13.910 0.347 1.00 0.00 C ATOM 688 CD ARG A 49 -8.798 15.026 -0.034 1.00 0.00 C ATOM 689 NE ARG A 49 -9.394 15.661 1.138 1.00 0.00 N ATOM 690 CZ ARG A 49 -10.048 16.820 1.101 1.00 0.00 C ATOM 691 NH1 ARG A 49 -10.192 17.473 -0.045 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.559 17.328 2.215 1.00 0.00 N ATOM 0 H ARG A 49 -6.065 11.379 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.475 11.589 -0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.154 13.062 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.214 13.999 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.372 13.147 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.060 14.305 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.267 15.775 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.587 14.624 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.304 15.189 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.801 17.087 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.694 18.361 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.451 16.831 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.060 18.216 2.188 1.00 0.00 H new ATOM 706 N SER A 50 -8.329 12.185 -3.714 1.00 0.00 N ATOM 707 CA SER A 50 -9.131 12.445 -4.904 1.00 0.00 C ATOM 708 C SER A 50 -9.788 11.165 -5.409 1.00 0.00 C ATOM 709 O SER A 50 -9.436 10.065 -4.982 1.00 0.00 O ATOM 710 CB SER A 50 -8.261 13.054 -6.006 1.00 0.00 C ATOM 711 OG SER A 50 -9.058 13.681 -6.996 1.00 0.00 O ATOM 0 H SER A 50 -7.363 11.919 -3.906 1.00 0.00 H new ATOM 0 HA SER A 50 -9.916 13.152 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.575 13.782 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.651 12.275 -6.465 1.00 0.00 H new ATOM 0 HG SER A 50 -8.479 14.064 -7.688 1.00 0.00 H new ATOM 717 N ALA A 51 -10.744 11.315 -6.320 1.00 0.00 N ATOM 718 CA ALA A 51 -11.450 10.170 -6.882 1.00 0.00 C ATOM 719 C ALA A 51 -10.797 9.706 -8.179 1.00 0.00 C ATOM 720 O ALA A 51 -11.264 10.029 -9.271 1.00 0.00 O ATOM 721 CB ALA A 51 -12.912 10.518 -7.119 1.00 0.00 C ATOM 0 H ALA A 51 -11.047 12.218 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.394 9.351 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.428 9.655 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.378 10.795 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.979 11.354 -7.815 1.00 0.00 H new ATOM 727 N LYS A 52 -9.713 8.947 -8.052 1.00 0.00 N ATOM 728 CA LYS A 52 -8.996 8.439 -9.215 1.00 0.00 C ATOM 729 C LYS A 52 -8.309 7.115 -8.893 1.00 0.00 C ATOM 730 O LYS A 52 -7.231 6.820 -9.410 1.00 0.00 O ATOM 731 CB LYS A 52 -7.963 9.463 -9.690 1.00 0.00 C ATOM 732 CG LYS A 52 -8.487 10.402 -10.763 1.00 0.00 C ATOM 733 CD LYS A 52 -8.203 9.870 -12.160 1.00 0.00 C ATOM 734 CE LYS A 52 -9.459 9.848 -13.016 1.00 0.00 C ATOM 735 NZ LYS A 52 -9.755 11.183 -13.606 1.00 0.00 N ATOM 0 H LYS A 52 -9.312 8.671 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.719 8.268 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.628 10.052 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.091 8.935 -10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.561 10.537 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.026 11.383 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.446 10.491 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.792 8.863 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.340 9.117 -13.815 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.305 9.524 -12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.619 11.124 -14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.894 11.876 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.959 11.482 -14.205 1.00 0.00 H new ATOM 749 N GLY A 53 -8.942 6.319 -8.037 1.00 0.00 N ATOM 750 CA GLY A 53 -8.378 5.036 -7.662 1.00 0.00 C ATOM 751 C GLY A 53 -9.122 3.871 -8.286 1.00 0.00 C ATOM 752 O GLY A 53 -9.925 4.057 -9.199 1.00 0.00 O ATOM 0 H GLY A 53 -9.835 6.540 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.332 5.000 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.398 4.937 -6.577 1.00 0.00 H new ATOM 756 N LYS A 54 -8.852 2.667 -7.792 1.00 0.00 N ATOM 757 CA LYS A 54 -9.499 1.467 -8.308 1.00 0.00 C ATOM 758 C LYS A 54 -10.053 0.616 -7.169 1.00 0.00 C ATOM 759 O LYS A 54 -10.114 -0.609 -7.269 1.00 0.00 O ATOM 760 CB LYS A 54 -8.513 0.646 -9.140 1.00 0.00 C ATOM 761 CG LYS A 54 -7.976 1.387 -10.353 1.00 0.00 C ATOM 762 CD LYS A 54 -6.505 1.078 -10.590 1.00 0.00 C ATOM 763 CE LYS A 54 -6.204 0.900 -12.070 1.00 0.00 C ATOM 764 NZ LYS A 54 -4.764 1.125 -12.374 1.00 0.00 N ATOM 0 H LYS A 54 -8.190 2.497 -7.035 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.328 1.777 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.677 0.348 -8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.004 -0.269 -9.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.554 1.110 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.105 2.460 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.893 1.886 -10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.231 0.171 -10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.488 -0.106 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.811 1.595 -12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.600 0.994 -13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.499 2.093 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.186 0.445 -11.840 1.00 0.00 H new ATOM 778 N ASN A 55 -10.455 1.274 -6.086 1.00 0.00 N ATOM 779 CA ASN A 55 -11.004 0.577 -4.928 1.00 0.00 C ATOM 780 C ASN A 55 -11.891 1.504 -4.104 1.00 0.00 C ATOM 781 O ASN A 55 -11.724 2.723 -4.129 1.00 0.00 O ATOM 782 CB ASN A 55 -9.874 0.026 -4.056 1.00 0.00 C ATOM 783 CG ASN A 55 -9.104 -1.086 -4.743 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.693 -2.033 -5.265 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.781 -0.978 -4.743 1.00 0.00 N ATOM 0 H ASN A 55 -10.411 2.288 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.613 -0.252 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.189 0.834 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.290 -0.348 -3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.211 -1.697 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.335 -0.176 -4.298 1.00 0.00 H new ATOM 792 N ASP A 56 -12.835 0.917 -3.376 1.00 0.00 N ATOM 793 CA ASP A 56 -13.750 1.692 -2.544 1.00 0.00 C ATOM 794 C ASP A 56 -13.298 1.683 -1.087 1.00 0.00 C ATOM 795 O ASP A 56 -13.495 2.658 -0.360 1.00 0.00 O ATOM 796 CB ASP A 56 -15.169 1.133 -2.653 1.00 0.00 C ATOM 797 CG ASP A 56 -15.596 0.916 -4.091 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.877 0.205 -4.824 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.650 1.457 -4.486 1.00 0.00 O ATOM 0 H ASP A 56 -12.987 -0.091 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.745 2.722 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.227 0.188 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.865 1.819 -2.170 1.00 0.00 H new ATOM 804 N GLY A 57 -12.693 0.578 -0.666 1.00 0.00 N ATOM 805 CA GLY A 57 -12.223 0.464 0.702 1.00 0.00 C ATOM 806 C GLY A 57 -12.026 -0.978 1.129 1.00 0.00 C ATOM 807 O GLY A 57 -11.188 -1.271 1.983 1.00 0.00 O ATOM 0 H GLY A 57 -12.520 -0.241 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.281 1.002 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.939 0.943 1.370 1.00 0.00 H new ATOM 811 N ALA A 58 -12.802 -1.880 0.537 1.00 0.00 N ATOM 812 CA ALA A 58 -12.709 -3.299 0.862 1.00 0.00 C ATOM 813 C ALA A 58 -12.674 -4.150 -0.403 1.00 0.00 C ATOM 814 O ALA A 58 -13.286 -3.805 -1.413 1.00 0.00 O ATOM 815 CB ALA A 58 -13.874 -3.714 1.746 1.00 0.00 C ATOM 0 H ALA A 58 -13.502 -1.654 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.778 -3.462 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.792 -4.775 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.854 -3.135 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.812 -3.530 1.222 1.00 0.00 H new ATOM 821 N VAL A 59 -11.951 -5.264 -0.341 1.00 0.00 N ATOM 822 CA VAL A 59 -11.836 -6.165 -1.481 1.00 0.00 C ATOM 823 C VAL A 59 -11.905 -7.623 -1.039 1.00 0.00 C ATOM 824 O VAL A 59 -11.161 -8.050 -0.156 1.00 0.00 O ATOM 825 CB VAL A 59 -10.519 -5.936 -2.247 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.507 -6.736 -3.540 1.00 0.00 C ATOM 827 CG2 VAL A 59 -10.317 -4.454 -2.527 1.00 0.00 C ATOM 0 H VAL A 59 -11.436 -5.564 0.487 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.676 -5.948 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.693 -6.282 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.569 -6.561 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.603 -7.798 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.340 -6.423 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.382 -4.310 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.146 -4.081 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.278 -3.908 -1.585 1.00 0.00 H new ATOM 837 N GLY A 60 -12.803 -8.381 -1.657 1.00 0.00 N ATOM 838 CA GLY A 60 -12.952 -9.783 -1.314 1.00 0.00 C ATOM 839 C GLY A 60 -13.523 -9.982 0.077 1.00 0.00 C ATOM 840 O GLY A 60 -14.530 -9.372 0.434 1.00 0.00 O ATOM 0 H GLY A 60 -13.431 -8.050 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.603 -10.265 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.982 -10.275 -1.379 1.00 0.00 H new ATOM 844 N ASP A 61 -12.878 -10.838 0.862 1.00 0.00 N ATOM 845 CA ASP A 61 -13.327 -11.116 2.221 1.00 0.00 C ATOM 846 C ASP A 61 -12.388 -10.488 3.246 1.00 0.00 C ATOM 847 O ASP A 61 -12.227 -11.002 4.353 1.00 0.00 O ATOM 848 CB ASP A 61 -13.416 -12.627 2.452 1.00 0.00 C ATOM 849 CG ASP A 61 -14.800 -13.175 2.163 1.00 0.00 C ATOM 850 OD1 ASP A 61 -15.741 -12.838 2.913 1.00 0.00 O ATOM 851 OD2 ASP A 61 -14.944 -13.940 1.187 1.00 0.00 O ATOM 0 H ASP A 61 -12.043 -11.351 0.580 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.317 -10.676 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.688 -13.132 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.148 -12.850 3.485 1.00 0.00 H new ATOM 856 N LYS A 62 -11.769 -9.374 2.870 1.00 0.00 N ATOM 857 CA LYS A 62 -10.845 -8.676 3.756 1.00 0.00 C ATOM 858 C LYS A 62 -10.856 -7.176 3.482 1.00 0.00 C ATOM 859 O LYS A 62 -11.203 -6.738 2.385 1.00 0.00 O ATOM 860 CB LYS A 62 -9.428 -9.229 3.590 1.00 0.00 C ATOM 861 CG LYS A 62 -8.698 -9.437 4.908 1.00 0.00 C ATOM 862 CD LYS A 62 -7.261 -8.948 4.834 1.00 0.00 C ATOM 863 CE LYS A 62 -6.718 -8.596 6.211 1.00 0.00 C ATOM 864 NZ LYS A 62 -5.363 -9.167 6.436 1.00 0.00 N ATOM 0 H LYS A 62 -11.891 -8.935 1.957 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.172 -8.841 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.478 -10.179 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.850 -8.545 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.223 -8.907 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.710 -10.495 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.637 -9.719 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.207 -8.073 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.678 -7.512 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.400 -8.967 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.350 -9.684 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.128 -9.818 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.663 -8.398 6.467 1.00 0.00 H new ATOM 878 N ARG A 63 -10.475 -6.392 4.486 1.00 0.00 N ATOM 879 CA ARG A 63 -10.441 -4.941 4.352 1.00 0.00 C ATOM 880 C ARG A 63 -9.004 -4.431 4.322 1.00 0.00 C ATOM 881 O ARG A 63 -8.079 -5.125 4.745 1.00 0.00 O ATOM 882 CB ARG A 63 -11.207 -4.284 5.503 1.00 0.00 C ATOM 883 CG ARG A 63 -12.202 -3.228 5.047 1.00 0.00 C ATOM 884 CD ARG A 63 -13.634 -3.736 5.130 1.00 0.00 C ATOM 885 NE ARG A 63 -14.343 -3.186 6.283 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.725 -1.915 6.381 1.00 0.00 C ATOM 887 NH1 ARG A 63 -14.471 -1.060 5.397 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.365 -1.497 7.465 1.00 0.00 N ATOM 0 H ARG A 63 -10.186 -6.738 5.401 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.920 -4.676 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.738 -5.055 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.494 -3.827 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.095 -2.336 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.978 -2.935 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -14.166 -3.471 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.630 -4.824 5.192 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.558 -3.813 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.981 -1.376 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.766 -0.087 5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.564 -2.150 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.658 -0.523 7.540 1.00 0.00 H new ATOM 902 N TYR A 64 -8.823 -3.214 3.819 1.00 0.00 N ATOM 903 CA TYR A 64 -7.498 -2.611 3.734 1.00 0.00 C ATOM 904 C TYR A 64 -7.515 -1.184 4.273 1.00 0.00 C ATOM 905 O TYR A 64 -6.648 -0.795 5.055 1.00 0.00 O ATOM 906 CB TYR A 64 -7.004 -2.617 2.287 1.00 0.00 C ATOM 907 CG TYR A 64 -6.917 -3.998 1.681 1.00 0.00 C ATOM 908 CD1 TYR A 64 -8.058 -4.659 1.241 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.694 -4.644 1.548 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.983 -5.922 0.687 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.611 -5.907 0.993 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.757 -6.542 0.565 1.00 0.00 C ATOM 913 OH TYR A 64 -6.678 -7.800 0.013 1.00 0.00 O ATOM 0 H TYR A 64 -9.577 -2.626 3.464 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.816 -3.203 4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.673 -2.006 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.020 -2.149 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.020 -4.177 1.334 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.794 -4.151 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.880 -6.422 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.652 -6.394 0.895 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.027 -7.778 -0.903 1.00 0.00 H new ATOM 923 N PHE A 65 -8.506 -0.408 3.848 1.00 0.00 N ATOM 924 CA PHE A 65 -8.636 0.976 4.287 1.00 0.00 C ATOM 925 C PHE A 65 -10.092 1.428 4.237 1.00 0.00 C ATOM 926 O PHE A 65 -10.955 0.721 3.717 1.00 0.00 O ATOM 927 CB PHE A 65 -7.776 1.891 3.414 1.00 0.00 C ATOM 928 CG PHE A 65 -7.955 1.662 1.942 1.00 0.00 C ATOM 929 CD1 PHE A 65 -8.988 2.275 1.251 1.00 0.00 C ATOM 930 CD2 PHE A 65 -7.091 0.831 1.247 1.00 0.00 C ATOM 931 CE1 PHE A 65 -9.156 2.065 -0.104 1.00 0.00 C ATOM 932 CE2 PHE A 65 -7.253 0.616 -0.109 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.287 1.234 -0.785 1.00 0.00 C ATOM 0 H PHE A 65 -9.231 -0.714 3.200 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.290 1.038 5.319 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.017 2.929 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.727 1.743 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.670 2.925 1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.281 0.345 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.965 2.549 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.572 -0.034 -0.639 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.416 1.068 -1.844 1.00 0.00 H new ATOM 943 N THR A 66 -10.358 2.611 4.782 1.00 0.00 N ATOM 944 CA THR A 66 -11.710 3.159 4.800 1.00 0.00 C ATOM 945 C THR A 66 -11.774 4.476 4.032 1.00 0.00 C ATOM 946 O THR A 66 -11.344 5.516 4.529 1.00 0.00 O ATOM 947 CB THR A 66 -12.176 3.371 6.240 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.088 3.735 7.071 1.00 0.00 O ATOM 949 CG2 THR A 66 -12.827 2.147 6.846 1.00 0.00 C ATOM 0 H THR A 66 -9.655 3.209 5.217 1.00 0.00 H new ATOM 0 HA THR A 66 -12.372 2.444 4.313 1.00 0.00 H new ATOM 0 HB THR A 66 -12.918 4.168 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.407 3.868 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.134 2.367 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.701 1.870 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.116 1.321 6.850 1.00 0.00 H new ATOM 957 N CYS A 67 -12.315 4.422 2.819 1.00 0.00 N ATOM 958 CA CYS A 67 -12.436 5.610 1.983 1.00 0.00 C ATOM 959 C CYS A 67 -13.679 5.531 1.101 1.00 0.00 C ATOM 960 O CYS A 67 -14.482 4.606 1.224 1.00 0.00 O ATOM 961 CB CYS A 67 -11.187 5.777 1.114 1.00 0.00 C ATOM 962 SG CYS A 67 -10.617 7.487 0.963 1.00 0.00 S ATOM 0 H CYS A 67 -12.676 3.568 2.394 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.533 6.476 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.382 5.173 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.395 5.385 0.118 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.031 7.984 -0.165 1.00 0.00 H new ATOM 968 N LYS A 68 -13.831 6.507 0.212 1.00 0.00 N ATOM 969 CA LYS A 68 -14.976 6.549 -0.691 1.00 0.00 C ATOM 970 C LYS A 68 -14.741 5.662 -1.911 1.00 0.00 C ATOM 971 O LYS A 68 -13.616 5.235 -2.171 1.00 0.00 O ATOM 972 CB LYS A 68 -15.249 7.987 -1.135 1.00 0.00 C ATOM 973 CG LYS A 68 -16.083 8.783 -0.145 1.00 0.00 C ATOM 974 CD LYS A 68 -15.213 9.674 0.730 1.00 0.00 C ATOM 975 CE LYS A 68 -15.647 11.129 0.653 1.00 0.00 C ATOM 976 NZ LYS A 68 -14.952 11.859 -0.443 1.00 0.00 N ATOM 0 H LYS A 68 -13.175 7.280 0.097 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.845 6.171 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.298 8.497 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.761 7.970 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.804 9.396 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.653 8.099 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.265 9.332 1.764 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.172 9.587 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.724 11.179 0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.441 11.620 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.178 12.428 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.565 11.175 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.628 12.485 -0.926 1.00 0.00 H new ATOM 990 N PRO A 69 -15.805 5.372 -2.680 1.00 0.00 N ATOM 991 CA PRO A 69 -15.709 4.531 -3.878 1.00 0.00 C ATOM 992 C PRO A 69 -14.712 5.082 -4.893 1.00 0.00 C ATOM 993 O PRO A 69 -14.783 6.249 -5.278 1.00 0.00 O ATOM 994 CB PRO A 69 -17.128 4.561 -4.457 1.00 0.00 C ATOM 995 CG PRO A 69 -18.004 4.930 -3.310 1.00 0.00 C ATOM 996 CD PRO A 69 -17.181 5.838 -2.441 1.00 0.00 C ATOM 0 HA PRO A 69 -15.354 3.528 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.209 5.288 -5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.406 3.592 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.908 5.432 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.321 4.044 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.306 6.884 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.459 5.752 -1.391 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.783 4.233 -5.323 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.772 4.632 -6.294 1.00 0.00 C ATOM 1006 C ASN A 70 -11.901 5.760 -5.746 1.00 0.00 C ATOM 1007 O ASN A 70 -11.850 6.852 -6.313 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.435 5.070 -7.602 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.773 3.897 -8.500 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -14.399 2.929 -8.068 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.358 3.978 -9.760 1.00 0.00 N ATOM 0 H ASN A 70 -13.710 3.264 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.134 3.770 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.345 5.625 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.770 5.751 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.556 3.219 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.842 4.799 -10.075 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.217 5.487 -4.640 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.346 6.476 -4.015 1.00 0.00 C ATOM 1020 C TYR A 71 -8.974 5.880 -3.717 1.00 0.00 C ATOM 1021 O TYR A 71 -7.952 6.387 -4.179 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.978 7.003 -2.726 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.775 8.275 -2.918 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.854 8.317 -3.791 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.446 9.433 -2.224 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.584 9.477 -3.969 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.172 10.597 -2.396 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.239 10.613 -3.269 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.963 11.771 -3.443 1.00 0.00 O ATOM 0 H TYR A 71 -11.249 4.589 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.219 7.304 -4.712 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.630 6.235 -2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.192 7.184 -1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.127 7.428 -4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.610 9.424 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.420 9.493 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.905 11.489 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.591 12.478 -2.876 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.961 4.801 -2.941 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.711 4.153 -2.593 1.00 0.00 C ATOM 1041 C GLY A 72 -7.264 3.154 -3.643 1.00 0.00 C ATOM 1042 O GLY A 72 -8.062 2.711 -4.468 1.00 0.00 O ATOM 0 H GLY A 72 -9.794 4.364 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.937 4.909 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.823 3.644 -1.636 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.983 2.800 -3.612 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.430 1.849 -4.568 1.00 0.00 C ATOM 1048 C VAL A 73 -4.528 0.834 -3.872 1.00 0.00 C ATOM 1049 O VAL A 73 -3.976 1.107 -2.807 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.626 2.562 -5.671 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.561 3.248 -6.655 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.654 3.560 -5.063 1.00 0.00 C ATOM 0 H VAL A 73 -5.309 3.158 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.274 1.331 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.049 1.814 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.975 3.746 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.212 2.505 -7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.167 3.985 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.095 4.054 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.208 4.305 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.962 3.038 -4.403 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.382 -0.337 -4.483 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.547 -1.393 -3.922 1.00 0.00 C ATOM 1064 C LEU A 74 -2.338 -1.660 -4.812 1.00 0.00 C ATOM 1065 O LEU A 74 -2.480 -2.083 -5.959 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.361 -2.677 -3.748 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.131 -2.781 -2.429 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.513 -3.371 -2.660 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.354 -3.617 -1.423 1.00 0.00 C ATOM 0 H LEU A 74 -4.831 -0.579 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.191 -1.062 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.070 -2.754 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.687 -3.530 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.252 -1.777 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.044 -3.437 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.071 -2.733 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.416 -4.368 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.916 -3.680 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.201 -4.619 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.387 -3.151 -1.232 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.147 -1.411 -4.275 1.00 0.00 N ATOM 1082 CA VAL A 75 0.087 -1.624 -5.020 1.00 0.00 C ATOM 1083 C VAL A 75 1.115 -2.372 -4.177 1.00 0.00 C ATOM 1084 O VAL A 75 0.888 -2.642 -2.998 1.00 0.00 O ATOM 1085 CB VAL A 75 0.698 -0.290 -5.489 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.091 0.277 -6.658 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.756 0.705 -4.341 1.00 0.00 C ATOM 0 H VAL A 75 -1.012 -1.061 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.170 -2.224 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 75 1.717 -0.478 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.356 1.219 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.073 -0.431 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.123 0.450 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.191 1.641 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.252 0.890 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.371 0.298 -3.538 1.00 0.00 H new ATOM 1097 N ARG A 76 2.247 -2.703 -4.791 1.00 0.00 N ATOM 1098 CA ARG A 76 3.311 -3.420 -4.098 1.00 0.00 C ATOM 1099 C ARG A 76 4.515 -2.512 -3.857 1.00 0.00 C ATOM 1100 O ARG A 76 4.753 -1.573 -4.613 1.00 0.00 O ATOM 1101 CB ARG A 76 3.738 -4.647 -4.906 1.00 0.00 C ATOM 1102 CG ARG A 76 2.592 -5.596 -5.220 1.00 0.00 C ATOM 1103 CD ARG A 76 3.021 -7.050 -5.096 1.00 0.00 C ATOM 1104 NE ARG A 76 2.495 -7.871 -6.184 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.592 -9.198 -6.225 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.193 -9.857 -5.243 1.00 0.00 N ATOM 1107 NH2 ARG A 76 2.087 -9.868 -7.252 1.00 0.00 N ATOM 0 H ARG A 76 2.451 -2.486 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 76 2.925 -3.745 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.192 -4.317 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.506 -5.188 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.761 -5.402 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.229 -5.408 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.109 -7.108 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.677 -7.449 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 76 2.026 -7.400 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.584 -9.347 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.264 -10.874 -5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.624 -9.367 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.161 -10.885 -7.284 1.00 0.00 H new ATOM 1121 N PRO A 77 5.290 -2.784 -2.790 1.00 0.00 N ATOM 1122 CA PRO A 77 6.473 -1.989 -2.454 1.00 0.00 C ATOM 1123 C PRO A 77 7.323 -1.717 -3.684 1.00 0.00 C ATOM 1124 O PRO A 77 7.662 -0.573 -3.981 1.00 0.00 O ATOM 1125 CB PRO A 77 7.220 -2.881 -1.464 1.00 0.00 C ATOM 1126 CG PRO A 77 6.152 -3.678 -0.800 1.00 0.00 C ATOM 1127 CD PRO A 77 5.076 -3.888 -1.833 1.00 0.00 C ATOM 0 HA PRO A 77 6.224 -1.008 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.937 -3.525 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.781 -2.289 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.542 -4.632 -0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.758 -3.152 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.169 -4.861 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.081 -3.846 -1.389 1.00 0.00 H new ATOM 1135 N SER A 78 7.643 -2.782 -4.411 1.00 0.00 N ATOM 1136 CA SER A 78 8.429 -2.661 -5.628 1.00 0.00 C ATOM 1137 C SER A 78 7.755 -1.683 -6.583 1.00 0.00 C ATOM 1138 O SER A 78 8.404 -1.100 -7.451 1.00 0.00 O ATOM 1139 CB SER A 78 8.590 -4.027 -6.299 1.00 0.00 C ATOM 1140 OG SER A 78 9.277 -4.934 -5.455 1.00 0.00 O ATOM 0 H SER A 78 7.369 -3.736 -4.177 1.00 0.00 H new ATOM 0 HA SER A 78 9.419 -2.284 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.609 -4.430 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.136 -3.913 -7.236 1.00 0.00 H new ATOM 0 HG SER A 78 9.365 -5.799 -5.907 1.00 0.00 H new ATOM 1146 N ARG A 79 6.446 -1.500 -6.405 1.00 0.00 N ATOM 1147 CA ARG A 79 5.688 -0.582 -7.242 1.00 0.00 C ATOM 1148 C ARG A 79 5.563 0.788 -6.576 1.00 0.00 C ATOM 1149 O ARG A 79 5.066 1.735 -7.186 1.00 0.00 O ATOM 1150 CB ARG A 79 4.298 -1.151 -7.534 1.00 0.00 C ATOM 1151 CG ARG A 79 4.279 -2.153 -8.677 1.00 0.00 C ATOM 1152 CD ARG A 79 4.237 -1.458 -10.027 1.00 0.00 C ATOM 1153 NE ARG A 79 4.978 -2.196 -11.047 1.00 0.00 N ATOM 1154 CZ ARG A 79 4.950 -1.899 -12.344 1.00 0.00 C ATOM 1155 NH1 ARG A 79 4.219 -0.882 -12.784 1.00 0.00 N ATOM 1156 NH2 ARG A 79 5.655 -2.621 -13.204 1.00 0.00 N ATOM 0 H ARG A 79 5.894 -1.975 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 79 6.226 -0.460 -8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.915 -1.632 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.621 -0.330 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.164 -2.787 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.412 -2.806 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.200 -1.344 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.653 -0.455 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 79 5.550 -2.985 -10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.675 -0.323 -12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.202 -0.659 -13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.218 -3.404 -12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.634 -2.394 -14.198 1.00 0.00 H new ATOM 1170 N VAL A 80 6.015 0.896 -5.324 1.00 0.00 N ATOM 1171 CA VAL A 80 5.942 2.165 -4.603 1.00 0.00 C ATOM 1172 C VAL A 80 7.257 2.490 -3.901 1.00 0.00 C ATOM 1173 O VAL A 80 7.778 1.686 -3.129 1.00 0.00 O ATOM 1174 CB VAL A 80 4.802 2.166 -3.566 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.448 2.170 -4.259 1.00 0.00 C ATOM 1176 CG2 VAL A 80 4.923 0.973 -2.629 1.00 0.00 C ATOM 0 H VAL A 80 6.430 0.129 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 80 5.741 2.931 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 80 4.884 3.075 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.656 2.171 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.360 3.061 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.356 1.281 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.108 0.994 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.872 0.050 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.876 1.019 -2.103 1.00 0.00 H new ATOM 1186 N THR A 81 7.788 3.677 -4.173 1.00 0.00 N ATOM 1187 CA THR A 81 9.041 4.112 -3.566 1.00 0.00 C ATOM 1188 C THR A 81 8.842 5.398 -2.770 1.00 0.00 C ATOM 1189 O THR A 81 8.260 6.364 -3.266 1.00 0.00 O ATOM 1190 CB THR A 81 10.106 4.326 -4.643 1.00 0.00 C ATOM 1191 OG1 THR A 81 10.262 3.160 -5.432 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.464 4.685 -4.079 1.00 0.00 C ATOM 0 H THR A 81 7.370 4.355 -4.810 1.00 0.00 H new ATOM 0 HA THR A 81 9.376 3.331 -2.883 1.00 0.00 H new ATOM 0 HB THR A 81 9.747 5.163 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.946 3.317 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.172 4.823 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.387 5.609 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.812 3.882 -3.429 1.00 0.00 H new