USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot -150:sc= -0.562 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 1:sc= 0.317 USER MOD Single : A 20 THR OG1 : rot -6:sc= 1.08 USER MOD Single : A 22 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-17!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 107:sc= 0.771 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.187 (180deg=-1.58!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.00833 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.315 7.366 0.396 1.00 0.00 N ATOM 14 CA ILE A 2 -6.932 7.451 0.943 1.00 0.00 C ATOM 15 C ILE A 2 -5.924 7.379 -0.206 1.00 0.00 C ATOM 16 O ILE A 2 -5.946 6.467 -1.008 1.00 0.00 O ATOM 17 CB ILE A 2 -6.691 6.289 1.906 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.696 6.365 3.057 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.270 6.372 2.465 1.00 0.00 C ATOM 20 CD1 ILE A 2 -7.766 5.011 3.766 1.00 0.00 C ATOM 0 HA ILE A 2 -6.810 8.394 1.475 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.816 5.346 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.399 7.141 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.680 6.639 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.100 5.543 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.553 6.318 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.143 7.315 2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.482 5.066 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.083 4.245 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.782 4.755 4.160 1.00 0.00 H new ATOM 32 N ASP A 3 -5.039 8.335 -0.293 1.00 0.00 N ATOM 33 CA ASP A 3 -4.030 8.319 -1.390 1.00 0.00 C ATOM 34 C ASP A 3 -3.172 7.058 -1.276 1.00 0.00 C ATOM 35 O ASP A 3 -3.018 6.495 -0.210 1.00 0.00 O ATOM 36 CB ASP A 3 -3.137 9.556 -1.279 1.00 0.00 C ATOM 37 CG ASP A 3 -2.185 9.607 -2.474 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.627 9.309 -3.572 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.029 9.943 -2.273 1.00 0.00 O ATOM 0 H ASP A 3 -4.971 9.126 0.348 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.540 8.325 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.749 10.458 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.569 9.525 -0.349 1.00 0.00 H new ATOM 44 N ILE A 4 -2.612 6.610 -2.366 1.00 0.00 N ATOM 45 CA ILE A 4 -1.763 5.385 -2.319 1.00 0.00 C ATOM 46 C ILE A 4 -0.373 5.708 -2.869 1.00 0.00 C ATOM 47 O ILE A 4 -0.158 5.732 -4.064 1.00 0.00 O ATOM 48 CB ILE A 4 -2.407 4.287 -3.168 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.819 4.005 -2.651 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.567 3.012 -3.074 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.706 3.550 -3.811 1.00 0.00 C ATOM 0 H ILE A 4 -2.705 7.039 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.674 5.042 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.458 4.614 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.788 3.236 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.235 4.901 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.025 2.229 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.560 3.212 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.516 2.685 -2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.712 3.349 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.746 4.334 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.293 2.642 -4.251 1.00 0.00 H new ATOM 63 N LYS A 5 0.574 5.955 -2.006 1.00 0.00 N ATOM 64 CA LYS A 5 1.950 6.275 -2.480 1.00 0.00 C ATOM 65 C LYS A 5 2.941 5.273 -1.883 1.00 0.00 C ATOM 66 O LYS A 5 2.702 4.694 -0.842 1.00 0.00 O ATOM 67 CB LYS A 5 2.327 7.690 -2.037 1.00 0.00 C ATOM 68 CG LYS A 5 1.219 8.665 -2.444 1.00 0.00 C ATOM 69 CD LYS A 5 1.805 9.757 -3.341 1.00 0.00 C ATOM 70 CE LYS A 5 2.582 10.758 -2.484 1.00 0.00 C ATOM 71 NZ LYS A 5 2.397 12.131 -3.033 1.00 0.00 N ATOM 0 H LYS A 5 0.454 5.949 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 5 1.982 6.215 -3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.472 7.718 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.272 7.986 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.427 8.133 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.768 9.111 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.463 9.314 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.007 10.267 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.233 10.717 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.641 10.499 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.925 12.812 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.750 12.164 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.386 12.376 -3.021 1.00 0.00 H new ATOM 85 N ALA A 6 4.052 5.063 -2.535 1.00 0.00 N ATOM 86 CA ALA A 6 5.057 4.100 -2.004 1.00 0.00 C ATOM 87 C ALA A 6 5.860 4.765 -0.882 1.00 0.00 C ATOM 88 O ALA A 6 5.865 5.974 -0.759 1.00 0.00 O ATOM 89 CB ALA A 6 6.004 3.678 -3.129 1.00 0.00 C ATOM 0 H ALA A 6 4.307 5.517 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 6 4.545 3.221 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.739 2.973 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.433 3.203 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.516 4.556 -3.523 1.00 0.00 H new ATOM 95 N PRO A 7 6.516 3.949 -0.097 1.00 0.00 N ATOM 96 CA PRO A 7 7.339 4.423 1.030 1.00 0.00 C ATOM 97 C PRO A 7 8.683 4.957 0.525 1.00 0.00 C ATOM 98 O PRO A 7 9.118 4.637 -0.564 1.00 0.00 O ATOM 99 CB PRO A 7 7.535 3.165 1.882 1.00 0.00 C ATOM 100 CG PRO A 7 7.315 1.960 0.938 1.00 0.00 C ATOM 101 CD PRO A 7 6.500 2.481 -0.260 1.00 0.00 C ATOM 0 HA PRO A 7 6.879 5.241 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.535 3.141 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.828 3.143 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.268 1.548 0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.782 1.159 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.948 2.180 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.483 2.090 -0.250 1.00 0.00 H new ATOM 109 N THR A 8 9.341 5.766 1.307 1.00 0.00 N ATOM 110 CA THR A 8 10.655 6.319 0.872 1.00 0.00 C ATOM 111 C THR A 8 11.720 5.223 0.951 1.00 0.00 C ATOM 112 O THR A 8 11.720 4.408 1.851 1.00 0.00 O ATOM 113 CB THR A 8 11.048 7.481 1.786 1.00 0.00 C ATOM 114 OG1 THR A 8 9.947 8.368 1.922 1.00 0.00 O ATOM 115 CG2 THR A 8 12.238 8.229 1.182 1.00 0.00 C ATOM 0 H THR A 8 9.026 6.069 2.229 1.00 0.00 H new ATOM 0 HA THR A 8 10.577 6.676 -0.155 1.00 0.00 H new ATOM 0 HB THR A 8 11.326 7.094 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.197 9.112 2.509 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.517 9.057 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.082 7.547 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.964 8.617 0.201 1.00 0.00 H new ATOM 123 N PHE A 9 12.629 5.198 0.014 1.00 0.00 N ATOM 124 CA PHE A 9 13.692 4.155 0.037 1.00 0.00 C ATOM 125 C PHE A 9 14.894 4.667 0.837 1.00 0.00 C ATOM 126 O PHE A 9 15.078 5.859 0.980 1.00 0.00 O ATOM 127 CB PHE A 9 14.130 3.841 -1.395 1.00 0.00 C ATOM 128 CG PHE A 9 12.969 3.249 -2.158 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.190 2.239 -1.577 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.667 3.712 -3.446 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.113 1.689 -2.284 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.589 3.162 -4.153 1.00 0.00 C ATOM 133 CZ PHE A 9 10.812 2.152 -3.572 1.00 0.00 C ATOM 0 H PHE A 9 12.681 5.854 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 9 13.303 3.251 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.478 4.749 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.967 3.143 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.420 1.884 -0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.265 4.492 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.515 0.909 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.357 3.517 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.981 1.730 -4.117 1.00 0.00 H new ATOM 143 N PRO A 10 15.677 3.744 1.336 1.00 0.00 N ATOM 144 CA PRO A 10 16.876 4.063 2.130 1.00 0.00 C ATOM 145 C PRO A 10 18.026 4.491 1.215 1.00 0.00 C ATOM 146 O PRO A 10 17.836 4.759 0.045 1.00 0.00 O ATOM 147 CB PRO A 10 17.199 2.744 2.835 1.00 0.00 C ATOM 148 CG PRO A 10 16.542 1.626 1.992 1.00 0.00 C ATOM 149 CD PRO A 10 15.439 2.298 1.152 1.00 0.00 C ATOM 0 HA PRO A 10 16.723 4.887 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.276 2.595 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.810 2.742 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.278 1.142 1.349 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.122 0.852 2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.508 2.013 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.445 2.011 1.496 1.00 0.00 H new ATOM 157 N GLU A 11 19.220 4.557 1.738 1.00 0.00 N ATOM 158 CA GLU A 11 20.381 4.968 0.898 1.00 0.00 C ATOM 159 C GLU A 11 20.779 3.812 -0.022 1.00 0.00 C ATOM 160 O GLU A 11 20.825 3.954 -1.228 1.00 0.00 O ATOM 161 CB GLU A 11 21.562 5.329 1.802 1.00 0.00 C ATOM 162 CG GLU A 11 22.733 5.811 0.944 1.00 0.00 C ATOM 163 CD GLU A 11 23.919 6.159 1.846 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.969 7.283 2.318 1.00 0.00 O ATOM 165 OE2 GLU A 11 24.755 5.295 2.052 1.00 0.00 O ATOM 0 H GLU A 11 19.442 4.344 2.711 1.00 0.00 H new ATOM 0 HA GLU A 11 20.106 5.834 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.269 6.107 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.861 4.462 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.019 5.036 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.436 6.684 0.363 1.00 0.00 H new ATOM 172 N SER A 12 21.070 2.669 0.538 1.00 0.00 N ATOM 173 CA SER A 12 21.468 1.504 -0.300 1.00 0.00 C ATOM 174 C SER A 12 20.560 1.421 -1.529 1.00 0.00 C ATOM 175 O SER A 12 21.022 1.359 -2.651 1.00 0.00 O ATOM 176 CB SER A 12 21.334 0.220 0.519 1.00 0.00 C ATOM 177 OG SER A 12 22.123 -0.801 -0.079 1.00 0.00 O ATOM 0 H SER A 12 21.049 2.492 1.542 1.00 0.00 H new ATOM 0 HA SER A 12 22.502 1.626 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.659 0.393 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.290 -0.090 0.563 1.00 0.00 H new ATOM 0 HG SER A 12 22.042 -1.626 0.444 1.00 0.00 H new ATOM 183 N ILE A 13 19.271 1.419 -1.327 1.00 0.00 N ATOM 184 CA ILE A 13 18.335 1.340 -2.485 1.00 0.00 C ATOM 185 C ILE A 13 17.919 2.751 -2.902 1.00 0.00 C ATOM 186 O ILE A 13 17.814 3.646 -2.086 1.00 0.00 O ATOM 187 CB ILE A 13 17.094 0.541 -2.082 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.519 -0.847 -1.596 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.167 0.394 -3.290 1.00 0.00 C ATOM 190 CD1 ILE A 13 16.465 -1.394 -0.631 1.00 0.00 C ATOM 0 H ILE A 13 18.825 1.469 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 13 18.831 0.846 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 13 16.569 1.064 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.636 -1.521 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 13 18.487 -0.789 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.283 -0.175 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.865 1.381 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.692 -0.129 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.767 -2.382 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.371 -0.723 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.506 -1.467 -1.143 1.00 0.00 H new ATOM 202 N ALA A 14 17.683 2.960 -4.168 1.00 0.00 N ATOM 203 CA ALA A 14 17.274 4.315 -4.636 1.00 0.00 C ATOM 204 C ALA A 14 15.949 4.218 -5.395 1.00 0.00 C ATOM 205 O ALA A 14 15.481 5.181 -5.971 1.00 0.00 O ATOM 206 CB ALA A 14 18.353 4.880 -5.563 1.00 0.00 C ATOM 0 H ALA A 14 17.756 2.252 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 14 17.150 4.973 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.055 5.871 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.297 4.952 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.476 4.220 -6.422 1.00 0.00 H new ATOM 212 N ASP A 15 15.340 3.063 -5.402 1.00 0.00 N ATOM 213 CA ASP A 15 14.046 2.910 -6.126 1.00 0.00 C ATOM 214 C ASP A 15 13.560 1.464 -6.003 1.00 0.00 C ATOM 215 O ASP A 15 14.124 0.669 -5.279 1.00 0.00 O ATOM 216 CB ASP A 15 14.242 3.257 -7.603 1.00 0.00 C ATOM 217 CG ASP A 15 15.643 2.833 -8.046 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.029 1.718 -7.736 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.306 3.630 -8.689 1.00 0.00 O ATOM 0 H ASP A 15 15.682 2.221 -4.939 1.00 0.00 H new ATOM 0 HA ASP A 15 13.306 3.581 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.489 2.752 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.109 4.328 -7.756 1.00 0.00 H new ATOM 224 N GLY A 16 12.515 1.119 -6.705 1.00 0.00 N ATOM 225 CA GLY A 16 11.993 -0.274 -6.629 1.00 0.00 C ATOM 226 C GLY A 16 11.238 -0.609 -7.917 1.00 0.00 C ATOM 227 O GLY A 16 11.454 -0.004 -8.949 1.00 0.00 O ATOM 0 H GLY A 16 12.001 1.742 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.816 -0.974 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.331 -0.379 -5.769 1.00 0.00 H new ATOM 231 N THR A 17 10.354 -1.567 -7.866 1.00 0.00 N ATOM 232 CA THR A 17 9.586 -1.938 -9.088 1.00 0.00 C ATOM 233 C THR A 17 8.207 -2.466 -8.685 1.00 0.00 C ATOM 234 O THR A 17 8.077 -3.254 -7.769 1.00 0.00 O ATOM 235 CB THR A 17 10.343 -3.024 -9.856 1.00 0.00 C ATOM 236 OG1 THR A 17 11.550 -2.482 -10.374 1.00 0.00 O ATOM 237 CG2 THR A 17 9.475 -3.537 -11.007 1.00 0.00 C ATOM 0 H THR A 17 10.130 -2.109 -7.031 1.00 0.00 H new ATOM 0 HA THR A 17 9.467 -1.059 -9.722 1.00 0.00 H new ATOM 0 HB THR A 17 10.575 -3.850 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.629 -1.543 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.015 -4.310 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.550 -3.953 -10.608 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.241 -2.713 -11.681 1.00 0.00 H new ATOM 245 N VAL A 18 7.176 -2.037 -9.360 1.00 0.00 N ATOM 246 CA VAL A 18 5.809 -2.516 -9.015 1.00 0.00 C ATOM 247 C VAL A 18 5.775 -4.044 -9.072 1.00 0.00 C ATOM 248 O VAL A 18 6.599 -4.670 -9.708 1.00 0.00 O ATOM 249 CB VAL A 18 4.801 -1.946 -10.014 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.380 -2.250 -9.536 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.989 -0.430 -10.118 1.00 0.00 C ATOM 0 H VAL A 18 7.222 -1.376 -10.135 1.00 0.00 H new ATOM 0 HA VAL A 18 5.551 -2.184 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 18 4.961 -2.402 -10.991 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.662 -1.844 -10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.245 -3.329 -9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.220 -1.794 -8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.271 -0.022 -10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.829 0.024 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.001 -0.211 -10.458 1.00 0.00 H new ATOM 261 N ALA A 19 4.828 -4.652 -8.411 1.00 0.00 N ATOM 262 CA ALA A 19 4.745 -6.140 -8.428 1.00 0.00 C ATOM 263 C ALA A 19 3.643 -6.579 -9.396 1.00 0.00 C ATOM 264 O ALA A 19 3.910 -7.017 -10.497 1.00 0.00 O ATOM 265 CB ALA A 19 4.423 -6.650 -7.022 1.00 0.00 C ATOM 0 H ALA A 19 4.109 -4.183 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 19 5.700 -6.553 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.362 -7.738 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.208 -6.338 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.469 -6.237 -6.695 1.00 0.00 H new ATOM 271 N THR A 20 2.406 -6.467 -8.994 1.00 0.00 N ATOM 272 CA THR A 20 1.292 -6.879 -9.893 1.00 0.00 C ATOM 273 C THR A 20 -0.008 -6.216 -9.436 1.00 0.00 C ATOM 274 O THR A 20 -0.310 -6.164 -8.260 1.00 0.00 O ATOM 275 CB THR A 20 1.134 -8.401 -9.841 1.00 0.00 C ATOM 276 OG1 THR A 20 2.242 -9.013 -10.486 1.00 0.00 O ATOM 277 CG2 THR A 20 -0.160 -8.806 -10.550 1.00 0.00 C ATOM 0 H THR A 20 2.120 -6.108 -8.083 1.00 0.00 H new ATOM 0 HA THR A 20 1.516 -6.569 -10.914 1.00 0.00 H new ATOM 0 HB THR A 20 1.093 -8.727 -8.802 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.797 -8.324 -10.906 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.272 -9.890 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.009 -8.336 -10.054 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.122 -8.481 -11.590 1.00 0.00 H new ATOM 285 N TRP A 21 -0.782 -5.710 -10.357 1.00 0.00 N ATOM 286 CA TRP A 21 -2.058 -5.052 -9.984 1.00 0.00 C ATOM 287 C TRP A 21 -3.183 -6.089 -9.973 1.00 0.00 C ATOM 288 O TRP A 21 -3.913 -6.237 -10.934 1.00 0.00 O ATOM 289 CB TRP A 21 -2.367 -3.972 -11.016 1.00 0.00 C ATOM 290 CG TRP A 21 -1.779 -2.672 -10.572 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.584 -2.180 -10.976 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.334 -1.689 -9.651 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.373 -0.959 -10.359 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.420 -0.616 -9.538 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.529 -1.624 -8.909 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.677 0.480 -8.723 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.794 -0.516 -8.084 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.867 0.534 -7.991 1.00 0.00 C ATOM 0 H TRP A 21 -0.581 -5.726 -11.357 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.974 -4.607 -8.993 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.959 -4.255 -11.986 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.445 -3.871 -11.140 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.093 -2.661 -11.666 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.458 -0.384 -10.497 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.246 -2.429 -8.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.961 1.286 -8.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.714 -0.473 -7.520 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.073 1.382 -7.355 1.00 0.00 H new ATOM 309 N HIS A 22 -3.324 -6.814 -8.895 1.00 0.00 N ATOM 310 CA HIS A 22 -4.407 -7.850 -8.830 1.00 0.00 C ATOM 311 C HIS A 22 -5.698 -7.273 -9.415 1.00 0.00 C ATOM 312 O HIS A 22 -6.156 -7.688 -10.462 1.00 0.00 O ATOM 313 CB HIS A 22 -4.666 -8.275 -7.376 1.00 0.00 C ATOM 314 CG HIS A 22 -3.395 -8.173 -6.589 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.959 -6.971 -6.062 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.429 -9.095 -6.272 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.778 -7.191 -5.473 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.406 -8.471 -5.566 1.00 0.00 N ATOM 0 H HIS A 22 -2.743 -6.738 -8.060 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.088 -8.721 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.433 -7.640 -6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.043 -9.297 -7.347 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.459 -10.143 -6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.195 -6.426 -4.981 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.556 -8.898 -5.199 1.00 0.00 H new ATOM 326 N LYS A 23 -6.289 -6.320 -8.748 1.00 0.00 N ATOM 327 CA LYS A 23 -7.550 -5.719 -9.265 1.00 0.00 C ATOM 328 C LYS A 23 -7.219 -4.513 -10.146 1.00 0.00 C ATOM 329 O LYS A 23 -6.072 -4.255 -10.457 1.00 0.00 O ATOM 330 CB LYS A 23 -8.419 -5.268 -8.090 1.00 0.00 C ATOM 331 CG LYS A 23 -8.959 -6.495 -7.352 1.00 0.00 C ATOM 332 CD LYS A 23 -10.456 -6.317 -7.092 1.00 0.00 C ATOM 333 CE LYS A 23 -11.237 -7.408 -7.829 1.00 0.00 C ATOM 334 NZ LYS A 23 -12.069 -6.788 -8.897 1.00 0.00 N ATOM 0 H LYS A 23 -5.953 -5.932 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.090 -6.461 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.835 -4.649 -7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.245 -4.654 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.786 -7.394 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.429 -6.628 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.659 -6.370 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.780 -5.332 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.548 -8.132 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.871 -7.952 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.600 -7.529 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.735 -6.113 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.454 -6.288 -9.570 1.00 0.00 H new ATOM 348 N LYS A 24 -8.214 -3.773 -10.551 1.00 0.00 N ATOM 349 CA LYS A 24 -7.959 -2.584 -11.413 1.00 0.00 C ATOM 350 C LYS A 24 -8.890 -1.443 -10.994 1.00 0.00 C ATOM 351 O LYS A 24 -9.818 -1.647 -10.239 1.00 0.00 O ATOM 352 CB LYS A 24 -8.222 -2.948 -12.874 1.00 0.00 C ATOM 353 CG LYS A 24 -6.891 -3.155 -13.598 1.00 0.00 C ATOM 354 CD LYS A 24 -7.148 -3.766 -14.977 1.00 0.00 C ATOM 355 CE LYS A 24 -5.838 -4.310 -15.548 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.649 -5.720 -15.103 1.00 0.00 N ATOM 0 H LYS A 24 -9.194 -3.940 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.922 -2.267 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.823 -3.855 -12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.793 -2.156 -13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.370 -2.203 -13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.245 -3.810 -13.013 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.883 -4.567 -14.900 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.564 -3.014 -15.647 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.855 -4.260 -16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.001 -3.697 -15.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.758 -6.090 -15.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.615 -5.755 -14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.442 -6.301 -15.443 1.00 0.00 H new ATOM 370 N PRO A 25 -8.610 -0.270 -11.505 1.00 0.00 N ATOM 371 CA PRO A 25 -9.406 0.934 -11.210 1.00 0.00 C ATOM 372 C PRO A 25 -10.720 0.913 -11.996 1.00 0.00 C ATOM 373 O PRO A 25 -10.731 0.770 -13.203 1.00 0.00 O ATOM 374 CB PRO A 25 -8.506 2.082 -11.677 1.00 0.00 C ATOM 375 CG PRO A 25 -7.524 1.474 -12.706 1.00 0.00 C ATOM 376 CD PRO A 25 -7.477 -0.039 -12.424 1.00 0.00 C ATOM 0 HA PRO A 25 -9.684 1.018 -10.159 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.096 2.880 -12.128 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.967 2.520 -10.837 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.860 1.669 -13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.534 1.918 -12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.583 -0.619 -13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.530 -0.331 -11.970 1.00 0.00 H new ATOM 384 N GLY A 26 -11.827 1.052 -11.321 1.00 0.00 N ATOM 385 CA GLY A 26 -13.139 1.038 -12.028 1.00 0.00 C ATOM 386 C GLY A 26 -13.966 -0.154 -11.544 1.00 0.00 C ATOM 387 O GLY A 26 -14.986 -0.487 -12.115 1.00 0.00 O ATOM 0 H GLY A 26 -11.880 1.175 -10.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.676 1.968 -11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.983 0.973 -13.105 1.00 0.00 H new ATOM 391 N GLU A 27 -13.536 -0.801 -10.496 1.00 0.00 N ATOM 392 CA GLU A 27 -14.297 -1.972 -9.978 1.00 0.00 C ATOM 393 C GLU A 27 -14.551 -1.793 -8.480 1.00 0.00 C ATOM 394 O GLU A 27 -14.278 -0.752 -7.915 1.00 0.00 O ATOM 395 CB GLU A 27 -13.486 -3.250 -10.208 1.00 0.00 C ATOM 396 CG GLU A 27 -12.944 -3.260 -11.638 1.00 0.00 C ATOM 397 CD GLU A 27 -14.109 -3.359 -12.626 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.187 -3.742 -12.202 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.902 -3.051 -13.788 1.00 0.00 O ATOM 0 H GLU A 27 -12.690 -0.569 -9.976 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.250 -2.047 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.663 -3.304 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.112 -4.126 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.370 -2.353 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.265 -4.102 -11.775 1.00 0.00 H new ATOM 406 N ALA A 28 -15.072 -2.799 -7.832 1.00 0.00 N ATOM 407 CA ALA A 28 -15.344 -2.684 -6.372 1.00 0.00 C ATOM 408 C ALA A 28 -14.235 -3.392 -5.589 1.00 0.00 C ATOM 409 O ALA A 28 -13.318 -3.947 -6.159 1.00 0.00 O ATOM 410 CB ALA A 28 -16.691 -3.337 -6.051 1.00 0.00 C ATOM 0 H ALA A 28 -15.321 -3.695 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.374 -1.632 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.891 -3.253 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.481 -2.834 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.662 -4.389 -6.333 1.00 0.00 H new ATOM 416 N VAL A 29 -14.313 -3.376 -4.287 1.00 0.00 N ATOM 417 CA VAL A 29 -13.263 -4.047 -3.470 1.00 0.00 C ATOM 418 C VAL A 29 -13.893 -4.612 -2.195 1.00 0.00 C ATOM 419 O VAL A 29 -15.007 -4.279 -1.841 1.00 0.00 O ATOM 420 CB VAL A 29 -12.181 -3.033 -3.097 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.220 -3.659 -2.086 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.406 -2.630 -4.353 1.00 0.00 C ATOM 0 H VAL A 29 -15.058 -2.928 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.818 -4.858 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.647 -2.151 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.449 -2.936 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.771 -3.947 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.754 -4.541 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.634 -1.907 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.941 -3.512 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.090 -2.183 -5.075 1.00 0.00 H new ATOM 432 N LYS A 30 -13.191 -5.467 -1.502 1.00 0.00 N ATOM 433 CA LYS A 30 -13.750 -6.052 -0.251 1.00 0.00 C ATOM 434 C LYS A 30 -12.957 -5.541 0.952 1.00 0.00 C ATOM 435 O LYS A 30 -11.742 -5.549 0.955 1.00 0.00 O ATOM 436 CB LYS A 30 -13.654 -7.579 -0.315 1.00 0.00 C ATOM 437 CG LYS A 30 -14.599 -8.106 -1.396 1.00 0.00 C ATOM 438 CD LYS A 30 -13.798 -8.443 -2.655 1.00 0.00 C ATOM 439 CE LYS A 30 -14.454 -9.621 -3.378 1.00 0.00 C ATOM 440 NZ LYS A 30 -14.041 -10.895 -2.727 1.00 0.00 N ATOM 0 H LYS A 30 -12.254 -5.786 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.794 -5.757 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.630 -7.880 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.913 -8.011 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.121 -8.993 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.359 -7.359 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.755 -7.576 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.771 -8.692 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.539 -9.521 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.162 -9.625 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.487 -11.696 -3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.007 -10.991 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.341 -10.889 -1.731 1.00 0.00 H new ATOM 454 N ARG A 31 -13.635 -5.094 1.975 1.00 0.00 N ATOM 455 CA ARG A 31 -12.923 -4.581 3.177 1.00 0.00 C ATOM 456 C ARG A 31 -11.759 -5.513 3.521 1.00 0.00 C ATOM 457 O ARG A 31 -11.945 -6.688 3.771 1.00 0.00 O ATOM 458 CB ARG A 31 -13.894 -4.520 4.358 1.00 0.00 C ATOM 459 CG ARG A 31 -15.143 -3.734 3.953 1.00 0.00 C ATOM 460 CD ARG A 31 -16.392 -4.540 4.314 1.00 0.00 C ATOM 461 NE ARG A 31 -17.293 -4.617 3.130 1.00 0.00 N ATOM 462 CZ ARG A 31 -18.432 -5.250 3.216 1.00 0.00 C ATOM 463 NH1 ARG A 31 -18.639 -6.091 4.192 1.00 0.00 N ATOM 464 NH2 ARG A 31 -19.363 -5.040 2.327 1.00 0.00 N ATOM 0 H ARG A 31 -14.653 -5.063 2.028 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.538 -3.582 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.170 -5.528 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.414 -4.044 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.160 -2.770 4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.126 -3.530 2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.110 -5.543 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.911 -4.071 5.150 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.020 -4.175 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.911 -6.254 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.529 -6.585 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.201 -4.382 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.253 -5.534 2.394 1.00 0.00 H new ATOM 478 N ASP A 32 -10.560 -4.999 3.537 1.00 0.00 N ATOM 479 CA ASP A 32 -9.386 -5.857 3.865 1.00 0.00 C ATOM 480 C ASP A 32 -9.076 -6.773 2.679 1.00 0.00 C ATOM 481 O ASP A 32 -9.018 -7.980 2.812 1.00 0.00 O ATOM 482 CB ASP A 32 -9.704 -6.708 5.096 1.00 0.00 C ATOM 483 CG ASP A 32 -8.412 -7.010 5.857 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.665 -7.860 5.402 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.190 -6.386 6.882 1.00 0.00 O ATOM 0 H ASP A 32 -10.342 -4.023 3.337 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.522 -5.226 4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.405 -6.182 5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.186 -7.638 4.794 1.00 0.00 H new ATOM 490 N GLU A 33 -8.876 -6.209 1.520 1.00 0.00 N ATOM 491 CA GLU A 33 -8.571 -7.047 0.327 1.00 0.00 C ATOM 492 C GLU A 33 -7.358 -6.469 -0.406 1.00 0.00 C ATOM 493 O GLU A 33 -7.326 -5.304 -0.748 1.00 0.00 O ATOM 494 CB GLU A 33 -9.778 -7.057 -0.614 1.00 0.00 C ATOM 495 CG GLU A 33 -9.559 -8.095 -1.717 1.00 0.00 C ATOM 496 CD GLU A 33 -10.312 -9.380 -1.364 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.468 -9.647 -0.184 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.719 -10.075 -2.281 1.00 0.00 O ATOM 0 H GLU A 33 -8.911 -5.204 1.348 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.352 -8.066 0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.685 -7.290 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.918 -6.069 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.910 -7.706 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.495 -8.303 -1.829 1.00 0.00 H new ATOM 505 N LEU A 34 -6.359 -7.274 -0.647 1.00 0.00 N ATOM 506 CA LEU A 34 -5.149 -6.775 -1.354 1.00 0.00 C ATOM 507 C LEU A 34 -5.570 -5.885 -2.526 1.00 0.00 C ATOM 508 O LEU A 34 -6.698 -5.925 -2.974 1.00 0.00 O ATOM 509 CB LEU A 34 -4.342 -7.963 -1.881 1.00 0.00 C ATOM 510 CG LEU A 34 -3.057 -7.457 -2.538 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.238 -6.664 -1.517 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.234 -8.649 -3.033 1.00 0.00 C ATOM 0 H LEU A 34 -6.330 -8.259 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.537 -6.196 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.102 -8.644 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.934 -8.527 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.310 -6.813 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.322 -6.304 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.822 -5.815 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.985 -7.308 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.318 -8.289 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.982 -9.292 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.815 -9.215 -3.761 1.00 0.00 H new ATOM 524 N ILE A 35 -4.672 -5.079 -3.025 1.00 0.00 N ATOM 525 CA ILE A 35 -5.025 -4.188 -4.165 1.00 0.00 C ATOM 526 C ILE A 35 -3.818 -4.041 -5.094 1.00 0.00 C ATOM 527 O ILE A 35 -3.944 -4.080 -6.302 1.00 0.00 O ATOM 528 CB ILE A 35 -5.428 -2.812 -3.633 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.558 -2.972 -2.613 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.908 -1.936 -4.791 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.821 -3.463 -3.324 1.00 0.00 C ATOM 0 H ILE A 35 -3.711 -5.000 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.858 -4.622 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.569 -2.342 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.265 -3.680 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.753 -2.021 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.195 -0.956 -4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.104 -1.822 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.767 -2.405 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.626 -3.577 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.116 -2.738 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.621 -4.424 -3.798 1.00 0.00 H new ATOM 543 N VAL A 36 -2.648 -3.874 -4.541 1.00 0.00 N ATOM 544 CA VAL A 36 -1.437 -3.726 -5.394 1.00 0.00 C ATOM 545 C VAL A 36 -0.209 -4.224 -4.629 1.00 0.00 C ATOM 546 O VAL A 36 -0.042 -3.949 -3.458 1.00 0.00 O ATOM 547 CB VAL A 36 -1.247 -2.252 -5.761 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.875 -1.457 -4.509 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.127 -2.126 -6.796 1.00 0.00 C ATOM 0 H VAL A 36 -2.479 -3.834 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.561 -4.313 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.174 -1.859 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.740 -0.408 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.672 -1.547 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.052 -1.849 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.010 -1.077 -7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.800 -2.519 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.392 -2.692 -7.689 1.00 0.00 H new ATOM 559 N ASP A 37 0.651 -4.956 -5.283 1.00 0.00 N ATOM 560 CA ASP A 37 1.867 -5.473 -4.592 1.00 0.00 C ATOM 561 C ASP A 37 3.070 -4.600 -4.958 1.00 0.00 C ATOM 562 O ASP A 37 3.041 -3.855 -5.917 1.00 0.00 O ATOM 563 CB ASP A 37 2.129 -6.914 -5.032 1.00 0.00 C ATOM 564 CG ASP A 37 1.398 -7.876 -4.093 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.962 -7.430 -3.044 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.286 -9.040 -4.439 1.00 0.00 O ATOM 0 H ASP A 37 0.565 -5.218 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 37 1.713 -5.445 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.788 -7.060 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.199 -7.120 -5.020 1.00 0.00 H new ATOM 571 N ILE A 38 4.130 -4.688 -4.201 1.00 0.00 N ATOM 572 CA ILE A 38 5.334 -3.864 -4.506 1.00 0.00 C ATOM 573 C ILE A 38 6.574 -4.759 -4.526 1.00 0.00 C ATOM 574 O ILE A 38 6.613 -5.796 -3.894 1.00 0.00 O ATOM 575 CB ILE A 38 5.498 -2.787 -3.433 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.310 -1.824 -3.492 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.793 -2.011 -3.683 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.066 -1.229 -2.104 1.00 0.00 C ATOM 0 H ILE A 38 4.214 -5.294 -3.385 1.00 0.00 H new ATOM 0 HA ILE A 38 5.214 -3.391 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 38 5.539 -3.257 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.508 -1.029 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.419 -2.349 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.910 -1.243 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.641 -2.695 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.752 -1.541 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.220 -0.543 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.849 -2.030 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.955 -0.689 -1.778 1.00 0.00 H new ATOM 590 N GLU A 39 7.589 -4.366 -5.245 1.00 0.00 N ATOM 591 CA GLU A 39 8.827 -5.195 -5.302 1.00 0.00 C ATOM 592 C GLU A 39 9.994 -4.410 -4.701 1.00 0.00 C ATOM 593 O GLU A 39 10.038 -3.198 -4.766 1.00 0.00 O ATOM 594 CB GLU A 39 9.141 -5.540 -6.760 1.00 0.00 C ATOM 595 CG GLU A 39 10.162 -6.679 -6.807 1.00 0.00 C ATOM 596 CD GLU A 39 10.535 -6.972 -8.261 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.761 -7.642 -8.926 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.586 -6.522 -8.685 1.00 0.00 O ATOM 0 H GLU A 39 7.615 -3.508 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 39 8.677 -6.114 -4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.229 -5.833 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.534 -4.664 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.052 -6.407 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.747 -7.572 -6.340 1.00 0.00 H new ATOM 605 N THR A 40 10.941 -5.092 -4.116 1.00 0.00 N ATOM 606 CA THR A 40 12.104 -4.383 -3.512 1.00 0.00 C ATOM 607 C THR A 40 13.400 -5.085 -3.924 1.00 0.00 C ATOM 608 O THR A 40 13.380 -6.120 -4.559 1.00 0.00 O ATOM 609 CB THR A 40 11.977 -4.402 -1.987 1.00 0.00 C ATOM 610 OG1 THR A 40 10.628 -4.672 -1.629 1.00 0.00 O ATOM 611 CG2 THR A 40 12.396 -3.045 -1.420 1.00 0.00 C ATOM 0 H THR A 40 10.959 -6.108 -4.030 1.00 0.00 H new ATOM 0 HA THR A 40 12.122 -3.351 -3.863 1.00 0.00 H new ATOM 0 HB THR A 40 12.624 -5.178 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.558 -5.586 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.305 -3.061 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.431 -2.840 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.751 -2.266 -1.827 1.00 0.00 H new ATOM 619 N ASP A 41 14.526 -4.528 -3.569 1.00 0.00 N ATOM 620 CA ASP A 41 15.822 -5.158 -3.940 1.00 0.00 C ATOM 621 C ASP A 41 15.741 -6.670 -3.717 1.00 0.00 C ATOM 622 O ASP A 41 15.817 -7.450 -4.646 1.00 0.00 O ATOM 623 CB ASP A 41 16.939 -4.576 -3.072 1.00 0.00 C ATOM 624 CG ASP A 41 18.210 -4.421 -3.911 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.167 -4.760 -5.083 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.203 -3.966 -3.368 1.00 0.00 O ATOM 0 H ASP A 41 14.603 -3.661 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 41 16.033 -4.957 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.636 -3.609 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.130 -5.229 -2.221 1.00 0.00 H new ATOM 631 N LYS A 42 15.584 -7.091 -2.491 1.00 0.00 N ATOM 632 CA LYS A 42 15.497 -8.551 -2.210 1.00 0.00 C ATOM 633 C LYS A 42 14.333 -8.818 -1.254 1.00 0.00 C ATOM 634 O LYS A 42 14.426 -9.634 -0.359 1.00 0.00 O ATOM 635 CB LYS A 42 16.803 -9.025 -1.569 1.00 0.00 C ATOM 636 CG LYS A 42 17.919 -9.018 -2.615 1.00 0.00 C ATOM 637 CD LYS A 42 18.820 -10.237 -2.410 1.00 0.00 C ATOM 638 CE LYS A 42 20.212 -9.944 -2.974 1.00 0.00 C ATOM 639 NZ LYS A 42 21.066 -9.354 -1.905 1.00 0.00 N ATOM 0 H LYS A 42 15.512 -6.486 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 42 15.332 -9.092 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.068 -8.375 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.677 -10.029 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.492 -9.033 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.504 -8.102 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.889 -10.477 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.391 -11.107 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.664 -10.861 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.138 -9.256 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.012 -9.154 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.636 -8.470 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.146 -10.025 -1.115 1.00 0.00 H new ATOM 653 N VAL A 43 13.234 -8.136 -1.437 1.00 0.00 N ATOM 654 CA VAL A 43 12.065 -8.351 -0.540 1.00 0.00 C ATOM 655 C VAL A 43 10.781 -7.956 -1.272 1.00 0.00 C ATOM 656 O VAL A 43 10.757 -7.014 -2.039 1.00 0.00 O ATOM 657 CB VAL A 43 12.221 -7.492 0.716 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.092 -7.811 1.698 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.569 -7.794 1.376 1.00 0.00 C ATOM 0 H VAL A 43 13.097 -7.440 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 43 12.013 -9.402 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 43 12.177 -6.438 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.204 -7.198 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.131 -7.597 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.135 -8.865 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.681 -7.182 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.612 -8.848 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.375 -7.567 0.678 1.00 0.00 H new ATOM 669 N VAL A 44 9.713 -8.671 -1.042 1.00 0.00 N ATOM 670 CA VAL A 44 8.432 -8.335 -1.726 1.00 0.00 C ATOM 671 C VAL A 44 7.395 -7.908 -0.686 1.00 0.00 C ATOM 672 O VAL A 44 7.257 -8.519 0.356 1.00 0.00 O ATOM 673 CB VAL A 44 7.920 -9.564 -2.482 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.543 -9.262 -3.073 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.895 -9.909 -3.610 1.00 0.00 C ATOM 0 H VAL A 44 9.672 -9.472 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 44 8.599 -7.519 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 44 7.843 -10.408 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.178 -10.137 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.849 -9.015 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.619 -8.419 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.532 -10.784 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.971 -9.065 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.877 -10.124 -3.189 1.00 0.00 H new ATOM 685 N MET A 45 6.663 -6.862 -0.959 1.00 0.00 N ATOM 686 CA MET A 45 5.635 -6.397 0.014 1.00 0.00 C ATOM 687 C MET A 45 4.260 -6.405 -0.655 1.00 0.00 C ATOM 688 O MET A 45 4.127 -6.725 -1.819 1.00 0.00 O ATOM 689 CB MET A 45 5.972 -4.977 0.471 1.00 0.00 C ATOM 690 CG MET A 45 7.298 -4.985 1.234 1.00 0.00 C ATOM 691 SD MET A 45 7.808 -3.283 1.578 1.00 0.00 S ATOM 692 CE MET A 45 6.339 -2.791 2.513 1.00 0.00 C ATOM 0 H MET A 45 6.733 -6.310 -1.814 1.00 0.00 H new ATOM 0 HA MET A 45 5.623 -7.063 0.877 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.041 -4.313 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.176 -4.591 1.108 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.190 -5.539 2.167 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.064 -5.494 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.594 -1.973 3.186 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.561 -2.465 1.823 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.976 -3.639 3.094 1.00 0.00 H new ATOM 702 N GLU A 46 3.234 -6.056 0.072 1.00 0.00 N ATOM 703 CA GLU A 46 1.868 -6.045 -0.523 1.00 0.00 C ATOM 704 C GLU A 46 1.125 -4.786 -0.071 1.00 0.00 C ATOM 705 O GLU A 46 1.475 -4.166 0.913 1.00 0.00 O ATOM 706 CB GLU A 46 1.099 -7.284 -0.062 1.00 0.00 C ATOM 707 CG GLU A 46 2.056 -8.474 0.031 1.00 0.00 C ATOM 708 CD GLU A 46 1.290 -9.710 0.505 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.601 -10.304 -0.309 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.406 -10.043 1.673 1.00 0.00 O ATOM 0 H GLU A 46 3.283 -5.778 1.052 1.00 0.00 H new ATOM 0 HA GLU A 46 1.946 -6.051 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.637 -7.098 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.293 -7.506 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.510 -8.666 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.867 -8.248 0.723 1.00 0.00 H new ATOM 717 N VAL A 47 0.100 -4.403 -0.782 1.00 0.00 N ATOM 718 CA VAL A 47 -0.665 -3.186 -0.393 1.00 0.00 C ATOM 719 C VAL A 47 -2.153 -3.528 -0.288 1.00 0.00 C ATOM 720 O VAL A 47 -2.833 -3.687 -1.283 1.00 0.00 O ATOM 721 CB VAL A 47 -0.465 -2.098 -1.449 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.076 -0.786 -0.955 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.032 -1.900 -1.700 1.00 0.00 C ATOM 0 H VAL A 47 -0.241 -4.881 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.307 -2.826 0.572 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.953 -2.399 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.933 -0.011 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.142 -0.926 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.589 -0.484 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.175 -1.125 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.520 -1.600 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.468 -2.834 -2.054 1.00 0.00 H new ATOM 733 N LEU A 48 -2.662 -3.643 0.907 1.00 0.00 N ATOM 734 CA LEU A 48 -4.106 -3.974 1.073 1.00 0.00 C ATOM 735 C LEU A 48 -4.906 -2.685 1.267 1.00 0.00 C ATOM 736 O LEU A 48 -4.373 -1.666 1.660 1.00 0.00 O ATOM 737 CB LEU A 48 -4.284 -4.875 2.297 1.00 0.00 C ATOM 738 CG LEU A 48 -4.806 -6.242 1.854 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.628 -7.145 1.485 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.597 -6.880 2.998 1.00 0.00 C ATOM 0 H LEU A 48 -2.141 -3.522 1.776 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.465 -4.493 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.334 -4.989 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.981 -4.418 3.000 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.454 -6.119 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.001 -8.119 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.063 -6.692 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.979 -7.269 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.970 -7.855 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.948 -7.002 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.438 -6.238 3.262 1.00 0.00 H new ATOM 752 N ALA A 49 -6.183 -2.721 0.996 1.00 0.00 N ATOM 753 CA ALA A 49 -7.014 -1.496 1.166 1.00 0.00 C ATOM 754 C ALA A 49 -7.424 -1.358 2.634 1.00 0.00 C ATOM 755 O ALA A 49 -7.367 -2.302 3.396 1.00 0.00 O ATOM 756 CB ALA A 49 -8.268 -1.606 0.296 1.00 0.00 C ATOM 0 H ALA A 49 -6.685 -3.545 0.665 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.438 -0.621 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.876 -0.710 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.978 -1.706 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.844 -2.481 0.597 1.00 0.00 H new ATOM 762 N GLU A 50 -7.836 -0.187 3.037 1.00 0.00 N ATOM 763 CA GLU A 50 -8.249 0.009 4.456 1.00 0.00 C ATOM 764 C GLU A 50 -9.741 -0.298 4.604 1.00 0.00 C ATOM 765 O GLU A 50 -10.296 -0.212 5.682 1.00 0.00 O ATOM 766 CB GLU A 50 -7.983 1.459 4.866 1.00 0.00 C ATOM 767 CG GLU A 50 -7.176 1.483 6.166 1.00 0.00 C ATOM 768 CD GLU A 50 -8.080 1.909 7.323 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.772 2.903 7.173 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.066 1.235 8.339 1.00 0.00 O ATOM 0 H GLU A 50 -7.904 0.642 2.446 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.677 -0.663 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.437 1.977 4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.926 1.989 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.756 0.497 6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.338 2.174 6.073 1.00 0.00 H new ATOM 777 N ALA A 51 -10.395 -0.654 3.532 1.00 0.00 N ATOM 778 CA ALA A 51 -11.850 -0.965 3.617 1.00 0.00 C ATOM 779 C ALA A 51 -12.455 -0.963 2.212 1.00 0.00 C ATOM 780 O ALA A 51 -11.879 -0.443 1.278 1.00 0.00 O ATOM 781 CB ALA A 51 -12.549 0.092 4.475 1.00 0.00 C ATOM 0 H ALA A 51 -9.985 -0.743 2.602 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.985 -1.947 4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.613 -0.135 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.119 0.091 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.414 1.075 4.023 1.00 0.00 H new ATOM 787 N ASP A 52 -13.615 -1.543 2.055 1.00 0.00 N ATOM 788 CA ASP A 52 -14.255 -1.572 0.709 1.00 0.00 C ATOM 789 C ASP A 52 -14.342 -0.148 0.158 1.00 0.00 C ATOM 790 O ASP A 52 -14.079 0.818 0.848 1.00 0.00 O ATOM 791 CB ASP A 52 -15.655 -2.200 0.831 1.00 0.00 C ATOM 792 CG ASP A 52 -16.614 -1.626 -0.220 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.994 -0.475 -0.080 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.950 -2.347 -1.145 1.00 0.00 O ATOM 0 H ASP A 52 -14.145 -1.997 2.799 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.660 -2.173 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.583 -3.281 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.053 -2.017 1.829 1.00 0.00 H new ATOM 799 N GLY A 53 -14.712 -0.016 -1.083 1.00 0.00 N ATOM 800 CA GLY A 53 -14.822 1.339 -1.694 1.00 0.00 C ATOM 801 C GLY A 53 -14.640 1.233 -3.208 1.00 0.00 C ATOM 802 O GLY A 53 -14.955 0.226 -3.812 1.00 0.00 O ATOM 0 H GLY A 53 -14.944 -0.791 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.794 1.775 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.067 2.002 -1.272 1.00 0.00 H new ATOM 806 N VAL A 54 -14.135 2.264 -3.829 1.00 0.00 N ATOM 807 CA VAL A 54 -13.935 2.220 -5.304 1.00 0.00 C ATOM 808 C VAL A 54 -12.564 2.804 -5.651 1.00 0.00 C ATOM 809 O VAL A 54 -12.253 3.929 -5.313 1.00 0.00 O ATOM 810 CB VAL A 54 -15.028 3.040 -5.994 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.661 3.252 -7.464 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.358 2.288 -5.905 1.00 0.00 C ATOM 0 H VAL A 54 -13.853 3.134 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.987 1.186 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.121 4.008 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.441 3.836 -7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.713 3.786 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.568 2.285 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.138 2.870 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.263 1.320 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.622 2.138 -4.858 1.00 0.00 H new ATOM 822 N ILE A 55 -11.740 2.047 -6.321 1.00 0.00 N ATOM 823 CA ILE A 55 -10.390 2.556 -6.689 1.00 0.00 C ATOM 824 C ILE A 55 -10.535 3.780 -7.596 1.00 0.00 C ATOM 825 O ILE A 55 -11.598 4.058 -8.115 1.00 0.00 O ATOM 826 CB ILE A 55 -9.621 1.461 -7.429 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.597 0.191 -6.573 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.188 1.930 -7.693 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.631 0.379 -5.400 1.00 0.00 C ATOM 0 H ILE A 55 -11.944 1.097 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.848 2.837 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.111 1.250 -8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.598 -0.028 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.288 -0.661 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.641 1.149 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.207 2.834 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.694 2.142 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.616 -0.526 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.629 0.577 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.959 1.220 -4.790 1.00 0.00 H new ATOM 841 N ALA A 56 -9.474 4.514 -7.791 1.00 0.00 N ATOM 842 CA ALA A 56 -9.553 5.720 -8.664 1.00 0.00 C ATOM 843 C ALA A 56 -8.873 5.426 -10.002 1.00 0.00 C ATOM 844 O ALA A 56 -9.512 5.366 -11.035 1.00 0.00 O ATOM 845 CB ALA A 56 -8.846 6.892 -7.980 1.00 0.00 C ATOM 0 H ALA A 56 -8.557 4.331 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.598 5.976 -8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.903 7.774 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.330 7.102 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.801 6.636 -7.808 1.00 0.00 H new ATOM 851 N GLU A 57 -7.582 5.242 -9.996 1.00 0.00 N ATOM 852 CA GLU A 57 -6.863 4.952 -11.269 1.00 0.00 C ATOM 853 C GLU A 57 -5.394 4.647 -10.970 1.00 0.00 C ATOM 854 O GLU A 57 -4.829 5.147 -10.016 1.00 0.00 O ATOM 855 CB GLU A 57 -6.953 6.168 -12.193 1.00 0.00 C ATOM 856 CG GLU A 57 -6.790 5.719 -13.647 1.00 0.00 C ATOM 857 CD GLU A 57 -5.425 6.169 -14.171 1.00 0.00 C ATOM 858 OE1 GLU A 57 -4.987 7.240 -13.784 1.00 0.00 O ATOM 859 OE2 GLU A 57 -4.841 5.434 -14.950 1.00 0.00 O ATOM 0 H GLU A 57 -6.993 5.280 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.320 4.090 -11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.913 6.668 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.179 6.891 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.878 4.635 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.585 6.143 -14.261 1.00 0.00 H new ATOM 866 N ILE A 58 -4.771 3.832 -11.775 1.00 0.00 N ATOM 867 CA ILE A 58 -3.339 3.497 -11.536 1.00 0.00 C ATOM 868 C ILE A 58 -2.450 4.498 -12.275 1.00 0.00 C ATOM 869 O ILE A 58 -2.832 5.051 -13.287 1.00 0.00 O ATOM 870 CB ILE A 58 -3.051 2.085 -12.049 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.133 1.128 -11.543 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.686 1.623 -11.541 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.300 -0.024 -12.536 1.00 0.00 C ATOM 0 H ILE A 58 -5.192 3.383 -12.589 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.130 3.545 -10.467 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.049 2.090 -13.139 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.860 0.740 -10.562 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.077 1.660 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.483 0.617 -11.908 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.914 2.303 -11.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.686 1.619 -10.451 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.070 -0.706 -12.176 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.592 0.373 -13.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.356 -0.561 -12.632 1.00 0.00 H new ATOM 885 N VAL A 59 -1.268 4.738 -11.777 1.00 0.00 N ATOM 886 CA VAL A 59 -0.356 5.704 -12.453 1.00 0.00 C ATOM 887 C VAL A 59 0.627 4.940 -13.342 1.00 0.00 C ATOM 888 O VAL A 59 0.593 5.041 -14.552 1.00 0.00 O ATOM 889 CB VAL A 59 0.418 6.496 -11.398 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.534 7.294 -12.077 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.534 7.459 -10.685 1.00 0.00 C ATOM 0 H VAL A 59 -0.894 4.307 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.941 6.390 -13.066 1.00 0.00 H new ATOM 0 HB VAL A 59 0.852 5.808 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.086 7.859 -11.326 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.212 6.610 -12.587 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.100 7.982 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.016 8.024 -9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.967 8.147 -11.411 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.331 6.893 -10.203 1.00 0.00 H new ATOM 901 N LYS A 60 1.505 4.176 -12.751 1.00 0.00 N ATOM 902 CA LYS A 60 2.488 3.407 -13.561 1.00 0.00 C ATOM 903 C LYS A 60 1.931 2.012 -13.848 1.00 0.00 C ATOM 904 O LYS A 60 0.780 1.726 -13.583 1.00 0.00 O ATOM 905 CB LYS A 60 3.798 3.284 -12.781 1.00 0.00 C ATOM 906 CG LYS A 60 4.879 4.133 -13.452 1.00 0.00 C ATOM 907 CD LYS A 60 4.978 3.764 -14.934 1.00 0.00 C ATOM 908 CE LYS A 60 4.848 5.028 -15.785 1.00 0.00 C ATOM 909 NZ LYS A 60 6.131 5.276 -16.504 1.00 0.00 N ATOM 0 H LYS A 60 1.583 4.052 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 60 2.671 3.924 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.652 3.611 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.113 2.241 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.642 5.192 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.839 3.971 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.931 3.274 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.193 3.054 -15.196 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.033 4.916 -16.500 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.602 5.881 -15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.044 6.135 -17.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.898 5.401 -15.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.347 4.465 -17.118 1.00 0.00 H new ATOM 923 N ASN A 61 2.737 1.140 -14.388 1.00 0.00 N ATOM 924 CA ASN A 61 2.254 -0.236 -14.691 1.00 0.00 C ATOM 925 C ASN A 61 3.174 -1.259 -14.023 1.00 0.00 C ATOM 926 O ASN A 61 4.238 -0.929 -13.540 1.00 0.00 O ATOM 927 CB ASN A 61 2.259 -0.456 -16.205 1.00 0.00 C ATOM 928 CG ASN A 61 1.074 0.281 -16.833 1.00 0.00 C ATOM 929 OD1 ASN A 61 0.061 -0.320 -17.136 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.158 1.566 -17.043 1.00 0.00 N ATOM 0 H ASN A 61 3.710 1.321 -14.633 1.00 0.00 H new ATOM 0 HA ASN A 61 1.240 -0.357 -14.310 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.194 -0.094 -16.633 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.198 -1.521 -16.428 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.374 2.067 -17.461 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.008 2.070 -16.789 1.00 0.00 H new ATOM 937 N GLU A 62 2.773 -2.501 -13.991 1.00 0.00 N ATOM 938 CA GLU A 62 3.627 -3.543 -13.355 1.00 0.00 C ATOM 939 C GLU A 62 4.913 -3.714 -14.164 1.00 0.00 C ATOM 940 O GLU A 62 4.934 -3.522 -15.364 1.00 0.00 O ATOM 941 CB GLU A 62 2.868 -4.872 -13.316 1.00 0.00 C ATOM 942 CG GLU A 62 1.376 -4.605 -13.113 1.00 0.00 C ATOM 943 CD GLU A 62 0.621 -4.914 -14.408 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.030 -5.828 -15.105 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.353 -4.231 -14.681 1.00 0.00 O ATOM 0 H GLU A 62 1.891 -2.838 -14.378 1.00 0.00 H new ATOM 0 HA GLU A 62 3.876 -3.237 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.027 -5.420 -14.245 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.249 -5.497 -12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.993 -5.222 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.217 -3.565 -12.826 1.00 0.00 H new ATOM 952 N GLY A 63 5.988 -4.075 -13.518 1.00 0.00 N ATOM 953 CA GLY A 63 7.272 -4.260 -14.251 1.00 0.00 C ATOM 954 C GLY A 63 7.951 -2.903 -14.450 1.00 0.00 C ATOM 955 O GLY A 63 8.971 -2.799 -15.103 1.00 0.00 O ATOM 0 H GLY A 63 6.032 -4.250 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.928 -4.928 -13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.086 -4.730 -15.217 1.00 0.00 H new ATOM 959 N ASP A 64 7.396 -1.861 -13.894 1.00 0.00 N ATOM 960 CA ASP A 64 8.014 -0.515 -14.054 1.00 0.00 C ATOM 961 C ASP A 64 8.815 -0.173 -12.796 1.00 0.00 C ATOM 962 O ASP A 64 8.753 -0.862 -11.797 1.00 0.00 O ATOM 963 CB ASP A 64 6.904 0.526 -14.296 1.00 0.00 C ATOM 964 CG ASP A 64 7.304 1.900 -13.746 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.020 2.158 -12.589 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.887 2.669 -14.494 1.00 0.00 O ATOM 0 H ASP A 64 6.542 -1.884 -13.336 1.00 0.00 H new ATOM 0 HA ASP A 64 8.691 -0.510 -14.909 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.701 0.604 -15.364 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.981 0.195 -13.820 1.00 0.00 H new ATOM 971 N THR A 65 9.567 0.889 -12.845 1.00 0.00 N ATOM 972 CA THR A 65 10.378 1.288 -11.661 1.00 0.00 C ATOM 973 C THR A 65 9.611 2.329 -10.844 1.00 0.00 C ATOM 974 O THR A 65 9.185 3.344 -11.358 1.00 0.00 O ATOM 975 CB THR A 65 11.706 1.886 -12.130 1.00 0.00 C ATOM 976 OG1 THR A 65 12.498 0.867 -12.726 1.00 0.00 O ATOM 977 CG2 THR A 65 12.452 2.480 -10.936 1.00 0.00 C ATOM 0 H THR A 65 9.656 1.501 -13.656 1.00 0.00 H new ATOM 0 HA THR A 65 10.572 0.412 -11.042 1.00 0.00 H new ATOM 0 HB THR A 65 11.512 2.671 -12.861 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.348 1.249 -13.029 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.397 2.905 -11.273 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.845 3.262 -10.480 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.647 1.697 -10.203 1.00 0.00 H new ATOM 985 N VAL A 66 9.433 2.085 -9.574 1.00 0.00 N ATOM 986 CA VAL A 66 8.694 3.062 -8.725 1.00 0.00 C ATOM 987 C VAL A 66 9.680 4.069 -8.133 1.00 0.00 C ATOM 988 O VAL A 66 10.876 3.966 -8.320 1.00 0.00 O ATOM 989 CB VAL A 66 7.983 2.317 -7.593 1.00 0.00 C ATOM 990 CG1 VAL A 66 7.075 1.237 -8.183 1.00 0.00 C ATOM 991 CG2 VAL A 66 9.024 1.665 -6.681 1.00 0.00 C ATOM 0 H VAL A 66 9.767 1.252 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 66 7.958 3.589 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 66 7.382 3.020 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.569 0.707 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.334 1.701 -8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.675 0.533 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.519 1.134 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.624 0.962 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.671 2.434 -6.260 1.00 0.00 H new ATOM 1001 N LEU A 67 9.190 5.045 -7.417 1.00 0.00 N ATOM 1002 CA LEU A 67 10.102 6.057 -6.815 1.00 0.00 C ATOM 1003 C LEU A 67 9.585 6.448 -5.429 1.00 0.00 C ATOM 1004 O LEU A 67 8.449 6.188 -5.083 1.00 0.00 O ATOM 1005 CB LEU A 67 10.149 7.298 -7.709 1.00 0.00 C ATOM 1006 CG LEU A 67 11.445 8.069 -7.445 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.198 8.269 -8.760 1.00 0.00 C ATOM 1008 CD2 LEU A 67 11.109 9.433 -6.837 1.00 0.00 C ATOM 0 H LEU A 67 8.198 5.184 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 67 11.103 5.636 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.094 7.006 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.287 7.935 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 67 12.070 7.504 -6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.121 8.818 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.436 7.298 -9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.575 8.834 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.030 9.984 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.485 9.997 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.572 9.291 -5.899 1.00 0.00 H new ATOM 1020 N SER A 68 10.409 7.071 -4.632 1.00 0.00 N ATOM 1021 CA SER A 68 9.964 7.477 -3.269 1.00 0.00 C ATOM 1022 C SER A 68 8.743 8.391 -3.383 1.00 0.00 C ATOM 1023 O SER A 68 8.719 9.316 -4.170 1.00 0.00 O ATOM 1024 CB SER A 68 11.097 8.226 -2.565 1.00 0.00 C ATOM 1025 OG SER A 68 10.547 9.086 -1.575 1.00 0.00 O ATOM 0 H SER A 68 11.371 7.316 -4.866 1.00 0.00 H new ATOM 0 HA SER A 68 9.702 6.590 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.786 7.518 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.670 8.805 -3.289 1.00 0.00 H new ATOM 0 HG SER A 68 11.127 9.868 -1.463 1.00 0.00 H new ATOM 1031 N GLY A 69 7.727 8.138 -2.603 1.00 0.00 N ATOM 1032 CA GLY A 69 6.508 8.993 -2.668 1.00 0.00 C ATOM 1033 C GLY A 69 5.877 8.879 -4.057 1.00 0.00 C ATOM 1034 O GLY A 69 5.174 9.763 -4.504 1.00 0.00 O ATOM 0 H GLY A 69 7.689 7.377 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.793 8.683 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.767 10.031 -2.459 1.00 0.00 H new ATOM 1038 N GLU A 70 6.120 7.796 -4.742 1.00 0.00 N ATOM 1039 CA GLU A 70 5.534 7.626 -6.101 1.00 0.00 C ATOM 1040 C GLU A 70 4.038 7.333 -5.977 1.00 0.00 C ATOM 1041 O GLU A 70 3.633 6.354 -5.382 1.00 0.00 O ATOM 1042 CB GLU A 70 6.225 6.461 -6.813 1.00 0.00 C ATOM 1043 CG GLU A 70 5.534 6.198 -8.153 1.00 0.00 C ATOM 1044 CD GLU A 70 5.477 7.496 -8.961 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.382 8.302 -8.816 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.529 7.664 -9.710 1.00 0.00 O ATOM 0 H GLU A 70 6.699 7.021 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 70 5.679 8.540 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.278 6.693 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.187 5.567 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.076 5.434 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.527 5.816 -7.986 1.00 0.00 H new ATOM 1053 N LEU A 71 3.211 8.175 -6.536 1.00 0.00 N ATOM 1054 CA LEU A 71 1.741 7.944 -6.449 1.00 0.00 C ATOM 1055 C LEU A 71 1.342 6.831 -7.420 1.00 0.00 C ATOM 1056 O LEU A 71 1.353 7.008 -8.622 1.00 0.00 O ATOM 1057 CB LEU A 71 1.001 9.231 -6.817 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.461 9.122 -6.379 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.979 10.505 -5.978 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.301 8.582 -7.539 1.00 0.00 C ATOM 0 H LEU A 71 3.490 9.012 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 71 1.478 7.651 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.474 10.086 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.058 9.401 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.535 8.445 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.020 10.427 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.381 10.892 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.905 11.182 -6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.343 8.504 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.226 9.260 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.933 7.597 -7.827 1.00 0.00 H new ATOM 1072 N LEU A 72 0.987 5.683 -6.909 1.00 0.00 N ATOM 1073 CA LEU A 72 0.587 4.561 -7.803 1.00 0.00 C ATOM 1074 C LEU A 72 -0.915 4.641 -8.081 1.00 0.00 C ATOM 1075 O LEU A 72 -1.436 3.948 -8.932 1.00 0.00 O ATOM 1076 CB LEU A 72 0.909 3.228 -7.124 1.00 0.00 C ATOM 1077 CG LEU A 72 2.384 3.203 -6.720 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.501 2.874 -5.231 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.116 2.134 -7.536 1.00 0.00 C ATOM 0 H LEU A 72 0.957 5.475 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 72 1.135 4.632 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.278 3.094 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.693 2.402 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 72 2.830 4.179 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.552 2.856 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.978 3.633 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.056 1.898 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.168 2.114 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.669 1.159 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.033 2.367 -8.598 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.615 5.483 -7.371 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.083 5.607 -7.595 1.00 0.00 C ATOM 1093 C GLY A 73 -3.744 6.187 -6.344 1.00 0.00 C ATOM 1094 O GLY A 73 -3.081 6.551 -5.392 1.00 0.00 O ATOM 0 H GLY A 73 -1.234 6.090 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.277 6.250 -8.453 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.510 4.631 -7.825 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.046 6.277 -6.335 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.746 6.834 -5.144 1.00 0.00 C ATOM 1100 C LYS A 74 -7.000 6.006 -4.855 1.00 0.00 C ATOM 1101 O LYS A 74 -7.615 5.461 -5.749 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.147 8.285 -5.420 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.971 9.027 -6.057 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.477 10.304 -6.731 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.793 10.017 -8.200 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.847 10.774 -9.068 1.00 0.00 N ATOM 0 H LYS A 74 -5.655 5.989 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.080 6.798 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.012 8.315 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.440 8.775 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.229 9.274 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.478 8.388 -6.789 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.369 10.668 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.725 11.089 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.710 8.948 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.820 10.305 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.061 10.580 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.947 11.793 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.872 10.479 -8.859 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.383 5.907 -3.611 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.595 5.113 -3.267 1.00 0.00 C ATOM 1122 C LEU A 75 -9.780 6.058 -3.055 1.00 0.00 C ATOM 1123 O LEU A 75 -9.624 7.170 -2.589 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.340 4.321 -1.983 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.425 3.257 -1.813 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -8.824 1.871 -2.053 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.990 3.328 -0.394 1.00 0.00 C ATOM 0 H LEU A 75 -6.909 6.342 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.820 4.423 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.358 3.850 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.337 4.992 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.224 3.436 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.598 1.113 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.421 1.819 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.025 1.692 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.764 2.570 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.191 3.150 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.419 4.315 -0.222 1.00 0.00 H new ATOM 1139 N THR A 76 -10.964 5.626 -3.394 1.00 0.00 N ATOM 1140 CA THR A 76 -12.156 6.501 -3.212 1.00 0.00 C ATOM 1141 C THR A 76 -13.083 5.888 -2.162 1.00 0.00 C ATOM 1142 O THR A 76 -12.883 4.776 -1.716 1.00 0.00 O ATOM 1143 CB THR A 76 -12.902 6.625 -4.543 1.00 0.00 C ATOM 1144 OG1 THR A 76 -11.977 6.930 -5.576 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.947 7.737 -4.444 1.00 0.00 C ATOM 0 H THR A 76 -11.157 4.706 -3.789 1.00 0.00 H new ATOM 0 HA THR A 76 -11.836 7.489 -2.880 1.00 0.00 H new ATOM 0 HB THR A 76 -13.401 5.682 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.637 6.098 -5.967 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.477 7.824 -5.393 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.657 7.499 -3.652 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.453 8.682 -4.217 1.00 0.00 H new