USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 468 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 2 SER OG : rot 180:sc=-0.00697 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 9:sc= 0.498 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.94! C(o=-3.9!,f=-12!) USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -0.0235 (180deg=-0.324) USER MOD Single : A 19 LYS NZ :NH3+ -104:sc= 0.516 (180deg=-0.486) USER MOD Single : A 20 ASN : amide:sc= -0.174 K(o=-0.17,f=-1.5!) USER MOD Single : A 22 MET CE :methyl -148:sc= -0.655 (180deg=-1) USER MOD Single : A 24 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.5) USER MOD Single : A 31 GLN : amide:sc=-0.000668 X(o=-0.00067,f=-0.031) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -141:sc= -0.201 (180deg=-1.22) USER MOD Single : A 39 SER OG : rot -35:sc= 0.613 USER MOD Single : A 40 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.46) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.010 29.863 4.777 1.00 0.00 N ATOM 2 CA GLY A 1 14.333 30.459 4.801 1.00 0.00 C ATOM 3 C GLY A 1 14.323 31.869 5.358 1.00 0.00 C ATOM 4 O GLY A 1 15.074 32.184 6.282 1.00 0.00 O ATOM 0 H1 GLY A 1 13.070 28.900 4.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.630 29.823 5.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.381 30.438 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.997 29.838 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.740 30.474 3.790 1.00 0.00 H new ATOM 8 N SER A 2 13.471 32.720 4.795 1.00 0.00 N ATOM 9 CA SER A 2 13.371 34.106 5.238 1.00 0.00 C ATOM 10 C SER A 2 12.735 34.190 6.622 1.00 0.00 C ATOM 11 O SER A 2 13.212 34.916 7.494 1.00 0.00 O ATOM 12 CB SER A 2 12.553 34.925 4.237 1.00 0.00 C ATOM 13 OG SER A 2 11.254 34.382 4.075 1.00 0.00 O ATOM 0 H SER A 2 12.840 32.474 4.032 1.00 0.00 H new ATOM 0 HA SER A 2 14.379 34.517 5.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.479 35.957 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.065 34.945 3.275 1.00 0.00 H new ATOM 0 HG SER A 2 10.751 34.924 3.432 1.00 0.00 H new ATOM 19 N SER A 3 11.654 33.441 6.815 1.00 0.00 N ATOM 20 CA SER A 3 10.948 33.432 8.091 1.00 0.00 C ATOM 21 C SER A 3 10.153 32.141 8.264 1.00 0.00 C ATOM 22 O SER A 3 9.838 31.458 7.291 1.00 0.00 O ATOM 23 CB SER A 3 10.011 34.638 8.189 1.00 0.00 C ATOM 24 OG SER A 3 9.065 34.635 7.134 1.00 0.00 O ATOM 0 H SER A 3 11.248 32.833 6.104 1.00 0.00 H new ATOM 0 HA SER A 3 11.689 33.491 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.492 34.622 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.593 35.559 8.157 1.00 0.00 H new ATOM 0 HG SER A 3 8.477 35.414 7.220 1.00 0.00 H new ATOM 30 N GLY A 4 9.833 31.813 9.512 1.00 0.00 N ATOM 31 CA GLY A 4 9.078 30.606 9.791 1.00 0.00 C ATOM 32 C GLY A 4 7.582 30.849 9.812 1.00 0.00 C ATOM 33 O GLY A 4 7.059 31.468 10.738 1.00 0.00 O ATOM 0 H GLY A 4 10.083 32.362 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.310 29.854 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.390 30.200 10.753 1.00 0.00 H new ATOM 37 N SER A 5 6.891 30.362 8.786 1.00 0.00 N ATOM 38 CA SER A 5 5.446 30.535 8.687 1.00 0.00 C ATOM 39 C SER A 5 4.824 29.431 7.837 1.00 0.00 C ATOM 40 O SER A 5 5.530 28.664 7.182 1.00 0.00 O ATOM 41 CB SER A 5 5.115 31.903 8.088 1.00 0.00 C ATOM 42 OG SER A 5 5.373 32.942 9.017 1.00 0.00 O ATOM 0 H SER A 5 7.308 29.845 8.012 1.00 0.00 H new ATOM 0 HA SER A 5 5.028 30.475 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.707 32.062 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.067 31.929 7.790 1.00 0.00 H new ATOM 0 HG SER A 5 5.844 32.576 9.795 1.00 0.00 H new ATOM 48 N SER A 6 3.497 29.358 7.852 1.00 0.00 N ATOM 49 CA SER A 6 2.779 28.346 7.086 1.00 0.00 C ATOM 50 C SER A 6 2.136 28.959 5.845 1.00 0.00 C ATOM 51 O SER A 6 1.739 30.123 5.848 1.00 0.00 O ATOM 52 CB SER A 6 1.707 27.684 7.955 1.00 0.00 C ATOM 53 OG SER A 6 0.857 28.653 8.542 1.00 0.00 O ATOM 0 H SER A 6 2.897 29.987 8.386 1.00 0.00 H new ATOM 0 HA SER A 6 3.496 27.590 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.116 26.997 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.183 27.092 8.737 1.00 0.00 H new ATOM 0 HG SER A 6 0.180 28.205 9.091 1.00 0.00 H new ATOM 59 N GLY A 7 2.038 28.164 4.784 1.00 0.00 N ATOM 60 CA GLY A 7 1.444 28.644 3.550 1.00 0.00 C ATOM 61 C GLY A 7 1.467 27.600 2.451 1.00 0.00 C ATOM 62 O GLY A 7 2.462 27.457 1.740 1.00 0.00 O ATOM 0 H GLY A 7 2.359 27.196 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.414 28.945 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.979 29.532 3.214 1.00 0.00 H new ATOM 66 N PHE A 8 0.367 26.867 2.310 1.00 0.00 N ATOM 67 CA PHE A 8 0.266 25.829 1.291 1.00 0.00 C ATOM 68 C PHE A 8 -1.031 25.970 0.499 1.00 0.00 C ATOM 69 O PHE A 8 -2.018 25.289 0.775 1.00 0.00 O ATOM 70 CB PHE A 8 0.334 24.443 1.936 1.00 0.00 C ATOM 71 CG PHE A 8 1.583 24.217 2.740 1.00 0.00 C ATOM 72 CD1 PHE A 8 1.763 24.851 3.958 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.577 23.371 2.276 1.00 0.00 C ATOM 74 CE1 PHE A 8 2.911 24.645 4.700 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.727 23.160 3.013 1.00 0.00 C ATOM 76 CZ PHE A 8 3.894 23.799 4.227 1.00 0.00 C ATOM 0 H PHE A 8 -0.466 26.973 2.888 1.00 0.00 H new ATOM 0 HA PHE A 8 1.105 25.945 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.534 24.309 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.271 23.684 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.997 25.514 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.452 22.870 1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.039 25.145 5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.494 22.497 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.792 23.637 4.805 1.00 0.00 H new ATOM 86 N LYS A 9 -1.020 26.860 -0.488 1.00 0.00 N ATOM 87 CA LYS A 9 -2.193 27.091 -1.323 1.00 0.00 C ATOM 88 C LYS A 9 -2.250 26.089 -2.471 1.00 0.00 C ATOM 89 O LYS A 9 -2.562 26.449 -3.606 1.00 0.00 O ATOM 90 CB LYS A 9 -2.176 28.518 -1.877 1.00 0.00 C ATOM 91 CG LYS A 9 -2.692 29.557 -0.897 1.00 0.00 C ATOM 92 CD LYS A 9 -1.607 29.999 0.070 1.00 0.00 C ATOM 93 CE LYS A 9 -2.199 30.575 1.348 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.487 32.030 1.219 1.00 0.00 N ATOM 0 H LYS A 9 -0.211 27.433 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.081 26.958 -0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.156 28.776 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.780 28.554 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.066 30.422 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.533 29.146 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.968 29.150 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.975 30.747 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.118 30.043 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.506 30.414 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.889 32.385 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.606 32.541 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.168 32.182 0.447 1.00 0.00 H new ATOM 108 N ARG A 10 -1.949 24.831 -2.168 1.00 0.00 N ATOM 109 CA ARG A 10 -1.966 23.777 -3.176 1.00 0.00 C ATOM 110 C ARG A 10 -2.680 22.535 -2.651 1.00 0.00 C ATOM 111 O ARG A 10 -2.345 22.017 -1.585 1.00 0.00 O ATOM 112 CB ARG A 10 -0.539 23.419 -3.595 1.00 0.00 C ATOM 113 CG ARG A 10 0.021 24.323 -4.682 1.00 0.00 C ATOM 114 CD ARG A 10 0.657 25.573 -4.094 1.00 0.00 C ATOM 115 NE ARG A 10 1.920 25.281 -3.423 1.00 0.00 N ATOM 116 CZ ARG A 10 2.688 26.210 -2.865 1.00 0.00 C ATOM 117 NH1 ARG A 10 2.323 27.484 -2.899 1.00 0.00 N ATOM 118 NH2 ARG A 10 3.824 25.866 -2.273 1.00 0.00 N ATOM 0 H ARG A 10 -1.690 24.516 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.510 24.148 -4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.111 23.470 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.520 22.387 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.762 23.776 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.777 24.608 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.828 26.300 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.033 26.031 -3.385 1.00 0.00 H new ATOM 0 HE ARG A 10 2.230 24.310 -3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.451 27.753 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.914 28.196 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.109 24.887 -2.246 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.413 26.581 -1.845 1.00 0.00 H new ATOM 132 N LYS A 11 -3.666 22.062 -3.405 1.00 0.00 N ATOM 133 CA LYS A 11 -4.428 20.881 -3.018 1.00 0.00 C ATOM 134 C LYS A 11 -3.883 19.633 -3.705 1.00 0.00 C ATOM 135 O LYS A 11 -4.645 18.797 -4.191 1.00 0.00 O ATOM 136 CB LYS A 11 -5.906 21.064 -3.369 1.00 0.00 C ATOM 137 CG LYS A 11 -6.167 21.188 -4.860 1.00 0.00 C ATOM 138 CD LYS A 11 -7.526 21.809 -5.139 1.00 0.00 C ATOM 139 CE LYS A 11 -7.628 22.305 -6.573 1.00 0.00 C ATOM 140 NZ LYS A 11 -7.822 21.185 -7.535 1.00 0.00 N ATOM 0 H LYS A 11 -3.957 22.479 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.330 20.754 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.471 20.217 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.282 21.956 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.387 21.797 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.114 20.202 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.309 21.074 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.696 22.639 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.460 23.004 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.723 22.854 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.887 21.564 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.016 20.531 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.699 20.676 -7.303 1.00 0.00 H new ATOM 154 N ALA A 12 -2.560 19.513 -3.740 1.00 0.00 N ATOM 155 CA ALA A 12 -1.913 18.365 -4.364 1.00 0.00 C ATOM 156 C ALA A 12 -2.139 17.097 -3.548 1.00 0.00 C ATOM 157 O ALA A 12 -2.781 17.129 -2.499 1.00 0.00 O ATOM 158 CB ALA A 12 -0.424 18.626 -4.537 1.00 0.00 C ATOM 0 H ALA A 12 -1.915 20.197 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.360 18.218 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.045 17.760 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.279 19.502 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.030 18.803 -3.562 1.00 0.00 H new ATOM 164 N ASN A 13 -1.606 15.981 -4.037 1.00 0.00 N ATOM 165 CA ASN A 13 -1.751 14.702 -3.352 1.00 0.00 C ATOM 166 C ASN A 13 -0.416 14.238 -2.777 1.00 0.00 C ATOM 167 O ASN A 13 0.355 13.548 -3.445 1.00 0.00 O ATOM 168 CB ASN A 13 -2.300 13.645 -4.312 1.00 0.00 C ATOM 169 CG ASN A 13 -2.078 12.233 -3.806 1.00 0.00 C ATOM 170 OD1 ASN A 13 -1.233 11.501 -4.324 1.00 0.00 O ATOM 171 ND2 ASN A 13 -2.838 11.843 -2.789 1.00 0.00 N ATOM 0 H ASN A 13 -1.071 15.937 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.454 14.837 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.367 13.811 -4.460 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.822 13.759 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.734 10.903 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.525 12.483 -2.391 1.00 0.00 H new ATOM 178 N LYS A 14 -0.148 14.623 -1.534 1.00 0.00 N ATOM 179 CA LYS A 14 1.093 14.246 -0.867 1.00 0.00 C ATOM 180 C LYS A 14 0.936 12.916 -0.137 1.00 0.00 C ATOM 181 O LYS A 14 1.813 12.055 -0.203 1.00 0.00 O ATOM 182 CB LYS A 14 1.515 15.335 0.122 1.00 0.00 C ATOM 183 CG LYS A 14 3.011 15.374 0.381 1.00 0.00 C ATOM 184 CD LYS A 14 3.772 15.908 -0.821 1.00 0.00 C ATOM 185 CE LYS A 14 3.772 17.429 -0.851 1.00 0.00 C ATOM 186 NZ LYS A 14 4.592 18.005 0.251 1.00 0.00 N ATOM 0 H LYS A 14 -0.774 15.196 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 14 1.866 14.134 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.195 16.305 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.995 15.177 1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.214 16.001 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.366 14.372 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.799 15.544 -0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.322 15.525 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.159 17.773 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.748 17.794 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.850 18.985 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.043 17.993 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.456 17.439 0.373 1.00 0.00 H new ATOM 200 N GLU A 15 -0.186 12.755 0.557 1.00 0.00 N ATOM 201 CA GLU A 15 -0.457 11.529 1.298 1.00 0.00 C ATOM 202 C GLU A 15 0.053 10.309 0.535 1.00 0.00 C ATOM 203 O GLU A 15 0.678 9.418 1.113 1.00 0.00 O ATOM 204 CB GLU A 15 -1.957 11.387 1.564 1.00 0.00 C ATOM 205 CG GLU A 15 -2.488 12.373 2.591 1.00 0.00 C ATOM 206 CD GLU A 15 -1.636 12.426 3.844 1.00 0.00 C ATOM 207 OE1 GLU A 15 -0.994 11.405 4.168 1.00 0.00 O ATOM 208 OE2 GLU A 15 -1.610 13.488 4.500 1.00 0.00 O ATOM 0 H GLU A 15 -0.922 13.458 0.622 1.00 0.00 H new ATOM 0 HA GLU A 15 0.069 11.587 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.498 11.523 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.163 10.373 1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.534 13.367 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.507 12.097 2.861 1.00 0.00 H new ATOM 215 N LEU A 16 -0.219 10.275 -0.765 1.00 0.00 N ATOM 216 CA LEU A 16 0.211 9.165 -1.608 1.00 0.00 C ATOM 217 C LEU A 16 1.732 9.051 -1.624 1.00 0.00 C ATOM 218 O LEU A 16 2.285 7.972 -1.416 1.00 0.00 O ATOM 219 CB LEU A 16 -0.314 9.348 -3.033 1.00 0.00 C ATOM 220 CG LEU A 16 -0.397 8.082 -3.885 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.544 7.199 -3.419 1.00 0.00 C ATOM 222 CD2 LEU A 16 -0.560 8.439 -5.356 1.00 0.00 C ATOM 0 H LEU A 16 -0.735 11.003 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.199 8.245 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.308 9.791 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.327 10.065 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 16 0.533 7.526 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.587 6.302 -4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.385 6.915 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.483 7.746 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.617 7.526 -5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.474 9.017 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.295 9.031 -5.684 1.00 0.00 H new ATOM 234 N GLU A 17 2.402 10.173 -1.872 1.00 0.00 N ATOM 235 CA GLU A 17 3.859 10.198 -1.914 1.00 0.00 C ATOM 236 C GLU A 17 4.451 9.432 -0.734 1.00 0.00 C ATOM 237 O GLU A 17 5.279 8.539 -0.913 1.00 0.00 O ATOM 238 CB GLU A 17 4.367 11.641 -1.905 1.00 0.00 C ATOM 239 CG GLU A 17 5.876 11.754 -1.772 1.00 0.00 C ATOM 240 CD GLU A 17 6.587 11.695 -3.110 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.996 12.141 -4.116 1.00 0.00 O ATOM 242 OE2 GLU A 17 7.734 11.202 -3.151 1.00 0.00 O ATOM 0 H GLU A 17 1.959 11.075 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 17 4.178 9.713 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.054 12.133 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.897 12.178 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.124 12.692 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.242 10.949 -1.135 1.00 0.00 H new ATOM 249 N GLU A 18 4.020 9.789 0.472 1.00 0.00 N ATOM 250 CA GLU A 18 4.508 9.136 1.681 1.00 0.00 C ATOM 251 C GLU A 18 4.346 7.622 1.585 1.00 0.00 C ATOM 252 O GLU A 18 5.314 6.873 1.715 1.00 0.00 O ATOM 253 CB GLU A 18 3.761 9.663 2.908 1.00 0.00 C ATOM 254 CG GLU A 18 3.419 11.141 2.824 1.00 0.00 C ATOM 255 CD GLU A 18 3.355 11.804 4.187 1.00 0.00 C ATOM 256 OE1 GLU A 18 4.080 11.357 5.099 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.579 12.771 4.339 1.00 0.00 O ATOM 0 H GLU A 18 3.335 10.526 0.638 1.00 0.00 H new ATOM 0 HA GLU A 18 5.569 9.364 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.841 9.093 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.369 9.489 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.165 11.648 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.459 11.260 2.321 1.00 0.00 H new ATOM 264 N LYS A 19 3.114 7.178 1.358 1.00 0.00 N ATOM 265 CA LYS A 19 2.823 5.754 1.244 1.00 0.00 C ATOM 266 C LYS A 19 3.846 5.059 0.352 1.00 0.00 C ATOM 267 O LYS A 19 4.402 4.024 0.719 1.00 0.00 O ATOM 268 CB LYS A 19 1.415 5.544 0.682 1.00 0.00 C ATOM 269 CG LYS A 19 0.319 6.136 1.550 1.00 0.00 C ATOM 270 CD LYS A 19 -1.062 5.791 1.018 1.00 0.00 C ATOM 271 CE LYS A 19 -2.105 6.796 1.481 1.00 0.00 C ATOM 272 NZ LYS A 19 -3.460 6.186 1.578 1.00 0.00 N ATOM 0 H LYS A 19 2.301 7.784 1.249 1.00 0.00 H new ATOM 0 HA LYS A 19 2.879 5.316 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.360 5.988 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.236 4.475 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.420 5.764 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.433 7.219 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.038 5.766 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.343 4.793 1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.817 7.196 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.134 7.635 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.036 6.490 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.375 5.149 1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.916 6.492 2.461 1.00 0.00 H new ATOM 286 N ASN A 20 4.092 5.635 -0.820 1.00 0.00 N ATOM 287 CA ASN A 20 5.050 5.071 -1.763 1.00 0.00 C ATOM 288 C ASN A 20 6.435 4.963 -1.133 1.00 0.00 C ATOM 289 O ASN A 20 7.003 3.874 -1.041 1.00 0.00 O ATOM 290 CB ASN A 20 5.119 5.930 -3.028 1.00 0.00 C ATOM 291 CG ASN A 20 4.122 5.488 -4.082 1.00 0.00 C ATOM 292 OD1 ASN A 20 3.798 4.305 -4.189 1.00 0.00 O ATOM 293 ND2 ASN A 20 3.631 6.440 -4.867 1.00 0.00 N ATOM 0 H ASN A 20 3.641 6.492 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 20 4.712 4.070 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.930 6.971 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.126 5.882 -3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.957 6.203 -5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.928 7.408 -4.742 1.00 0.00 H new ATOM 300 N ARG A 21 6.973 6.098 -0.700 1.00 0.00 N ATOM 301 CA ARG A 21 8.291 6.131 -0.078 1.00 0.00 C ATOM 302 C ARG A 21 8.440 5.006 0.942 1.00 0.00 C ATOM 303 O ARG A 21 9.421 4.263 0.922 1.00 0.00 O ATOM 304 CB ARG A 21 8.525 7.483 0.599 1.00 0.00 C ATOM 305 CG ARG A 21 9.970 7.715 1.011 1.00 0.00 C ATOM 306 CD ARG A 21 10.080 8.804 2.067 1.00 0.00 C ATOM 307 NE ARG A 21 11.395 9.438 2.064 1.00 0.00 N ATOM 308 CZ ARG A 21 11.640 10.625 2.610 1.00 0.00 C ATOM 309 NH1 ARG A 21 10.664 11.302 3.198 1.00 0.00 N ATOM 310 NH2 ARG A 21 12.864 11.136 2.567 1.00 0.00 N ATOM 0 H ARG A 21 6.516 7.007 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 21 9.037 5.990 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.217 8.278 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.889 7.553 1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.393 6.788 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.559 7.993 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.313 9.559 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.886 8.376 3.051 1.00 0.00 H new ATOM 0 HE ARG A 21 12.168 8.943 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.722 10.912 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.855 12.213 3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.617 10.618 2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.051 12.047 2.986 1.00 0.00 H new ATOM 324 N MET A 22 7.460 4.888 1.831 1.00 0.00 N ATOM 325 CA MET A 22 7.482 3.853 2.859 1.00 0.00 C ATOM 326 C MET A 22 7.648 2.471 2.235 1.00 0.00 C ATOM 327 O MET A 22 8.609 1.759 2.526 1.00 0.00 O ATOM 328 CB MET A 22 6.197 3.901 3.688 1.00 0.00 C ATOM 329 CG MET A 22 6.121 5.096 4.624 1.00 0.00 C ATOM 330 SD MET A 22 5.172 4.749 6.117 1.00 0.00 S ATOM 331 CE MET A 22 3.688 4.032 5.416 1.00 0.00 C ATOM 0 H MET A 22 6.641 5.495 1.861 1.00 0.00 H new ATOM 0 HA MET A 22 8.334 4.042 3.512 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.340 3.923 3.014 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.118 2.985 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.130 5.400 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.669 5.937 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.833 4.278 6.046 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.528 4.432 4.415 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.798 2.949 5.360 1.00 0.00 H new ATOM 341 N LEU A 23 6.706 2.098 1.376 1.00 0.00 N ATOM 342 CA LEU A 23 6.747 0.800 0.711 1.00 0.00 C ATOM 343 C LEU A 23 8.152 0.495 0.201 1.00 0.00 C ATOM 344 O LEU A 23 8.682 -0.592 0.427 1.00 0.00 O ATOM 345 CB LEU A 23 5.752 0.768 -0.450 1.00 0.00 C ATOM 346 CG LEU A 23 4.280 0.950 -0.077 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.437 1.168 -1.324 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.775 -0.252 0.708 1.00 0.00 C ATOM 0 H LEU A 23 5.904 2.676 1.123 1.00 0.00 H new ATOM 0 HA LEU A 23 6.471 0.037 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.026 1.549 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.860 -0.185 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 23 4.192 1.833 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.393 1.296 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.783 2.061 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.531 0.304 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.726 -0.104 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.877 -1.152 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.360 -0.362 1.621 1.00 0.00 H new ATOM 360 N GLN A 24 8.749 1.463 -0.488 1.00 0.00 N ATOM 361 CA GLN A 24 10.093 1.297 -1.029 1.00 0.00 C ATOM 362 C GLN A 24 11.045 0.760 0.034 1.00 0.00 C ATOM 363 O GLN A 24 11.682 -0.275 -0.157 1.00 0.00 O ATOM 364 CB GLN A 24 10.614 2.629 -1.572 1.00 0.00 C ATOM 365 CG GLN A 24 10.021 3.011 -2.918 1.00 0.00 C ATOM 366 CD GLN A 24 10.042 1.866 -3.911 1.00 0.00 C ATOM 367 OE1 GLN A 24 11.062 1.198 -4.085 1.00 0.00 O ATOM 368 NE2 GLN A 24 8.913 1.633 -4.570 1.00 0.00 N ATOM 0 H GLN A 24 8.324 2.369 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 24 10.044 0.575 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.395 3.416 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.699 2.575 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.993 3.345 -2.776 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.576 3.854 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.091 2.211 -4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.867 0.876 -5.252 1.00 0.00 H new ATOM 377 N GLU A 25 11.137 1.472 1.153 1.00 0.00 N ATOM 378 CA GLU A 25 12.014 1.066 2.246 1.00 0.00 C ATOM 379 C GLU A 25 11.562 -0.265 2.840 1.00 0.00 C ATOM 380 O GLU A 25 12.380 -1.139 3.128 1.00 0.00 O ATOM 381 CB GLU A 25 12.040 2.140 3.335 1.00 0.00 C ATOM 382 CG GLU A 25 13.082 3.220 3.099 1.00 0.00 C ATOM 383 CD GLU A 25 14.497 2.677 3.109 1.00 0.00 C ATOM 384 OE1 GLU A 25 15.070 2.532 4.209 1.00 0.00 O ATOM 385 OE2 GLU A 25 15.033 2.398 2.016 1.00 0.00 O ATOM 0 H GLU A 25 10.616 2.332 1.327 1.00 0.00 H new ATOM 0 HA GLU A 25 13.020 0.942 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.056 2.604 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.232 1.665 4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.889 3.703 2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.986 3.987 3.868 1.00 0.00 H new ATOM 392 N ASP A 26 10.254 -0.412 3.021 1.00 0.00 N ATOM 393 CA ASP A 26 9.692 -1.636 3.580 1.00 0.00 C ATOM 394 C ASP A 26 8.987 -2.453 2.501 1.00 0.00 C ATOM 395 O ASP A 26 7.776 -2.353 2.304 1.00 0.00 O ATOM 396 CB ASP A 26 8.712 -1.304 4.707 1.00 0.00 C ATOM 397 CG ASP A 26 7.962 -0.011 4.459 1.00 0.00 C ATOM 398 OD1 ASP A 26 7.124 0.021 3.533 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.212 0.970 5.191 1.00 0.00 O ATOM 0 H ASP A 26 9.563 0.301 2.789 1.00 0.00 H new ATOM 0 HA ASP A 26 10.511 -2.231 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.998 -2.120 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.257 -1.230 5.648 1.00 0.00 H new ATOM 404 N PRO A 27 9.763 -3.280 1.784 1.00 0.00 N ATOM 405 CA PRO A 27 9.235 -4.130 0.713 1.00 0.00 C ATOM 406 C PRO A 27 8.357 -5.257 1.246 1.00 0.00 C ATOM 407 O PRO A 27 7.440 -5.718 0.566 1.00 0.00 O ATOM 408 CB PRO A 27 10.495 -4.699 0.057 1.00 0.00 C ATOM 409 CG PRO A 27 11.530 -4.659 1.128 1.00 0.00 C ATOM 410 CD PRO A 27 11.214 -3.450 1.964 1.00 0.00 C ATOM 0 HA PRO A 27 8.596 -3.572 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.332 -5.717 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.795 -4.105 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.504 -5.567 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.531 -4.588 0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.473 -3.607 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.766 -2.573 1.627 1.00 0.00 H new ATOM 418 N VAL A 28 8.642 -5.696 2.468 1.00 0.00 N ATOM 419 CA VAL A 28 7.877 -6.768 3.093 1.00 0.00 C ATOM 420 C VAL A 28 6.430 -6.348 3.323 1.00 0.00 C ATOM 421 O VAL A 28 5.507 -7.147 3.159 1.00 0.00 O ATOM 422 CB VAL A 28 8.498 -7.189 4.438 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.633 -8.237 5.121 1.00 0.00 C ATOM 424 CG2 VAL A 28 9.914 -7.707 4.232 1.00 0.00 C ATOM 0 H VAL A 28 9.397 -5.325 3.045 1.00 0.00 H new ATOM 0 HA VAL A 28 7.902 -7.616 2.408 1.00 0.00 H new ATOM 0 HB VAL A 28 8.546 -6.314 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.088 -8.522 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.640 -7.826 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.550 -9.115 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.338 -8.000 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.893 -8.570 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.528 -6.923 3.789 1.00 0.00 H new ATOM 434 N LEU A 29 6.238 -5.090 3.704 1.00 0.00 N ATOM 435 CA LEU A 29 4.902 -4.563 3.957 1.00 0.00 C ATOM 436 C LEU A 29 4.080 -4.521 2.672 1.00 0.00 C ATOM 437 O LEU A 29 2.861 -4.686 2.697 1.00 0.00 O ATOM 438 CB LEU A 29 4.991 -3.161 4.563 1.00 0.00 C ATOM 439 CG LEU A 29 3.726 -2.308 4.472 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.762 -2.660 5.595 1.00 0.00 C ATOM 441 CD2 LEU A 29 4.076 -0.828 4.512 1.00 0.00 C ATOM 0 H LEU A 29 6.991 -4.416 3.844 1.00 0.00 H new ATOM 0 HA LEU A 29 4.405 -5.228 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.265 -3.258 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.802 -2.625 4.070 1.00 0.00 H new ATOM 0 HG LEU A 29 3.237 -2.520 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.868 -2.042 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.485 -3.712 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.242 -2.479 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.163 -0.236 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.589 -0.601 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.727 -0.585 3.672 1.00 0.00 H new ATOM 453 N PHE A 30 4.758 -4.303 1.550 1.00 0.00 N ATOM 454 CA PHE A 30 4.092 -4.242 0.254 1.00 0.00 C ATOM 455 C PHE A 30 3.273 -5.505 0.003 1.00 0.00 C ATOM 456 O PHE A 30 2.140 -5.438 -0.472 1.00 0.00 O ATOM 457 CB PHE A 30 5.120 -4.056 -0.864 1.00 0.00 C ATOM 458 CG PHE A 30 4.520 -3.580 -2.156 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.642 -2.509 -2.175 1.00 0.00 C ATOM 460 CD2 PHE A 30 4.835 -4.205 -3.353 1.00 0.00 C ATOM 461 CE1 PHE A 30 3.090 -2.068 -3.363 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.286 -3.768 -4.543 1.00 0.00 C ATOM 463 CZ PHE A 30 3.411 -2.699 -4.548 1.00 0.00 C ATOM 0 H PHE A 30 5.768 -4.166 1.512 1.00 0.00 H new ATOM 0 HA PHE A 30 3.416 -3.387 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.875 -3.340 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.632 -5.003 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.386 -2.013 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.517 -5.042 -3.355 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.408 -1.230 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.541 -4.262 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.979 -2.358 -5.477 1.00 0.00 H new ATOM 473 N GLN A 31 3.857 -6.655 0.325 1.00 0.00 N ATOM 474 CA GLN A 31 3.183 -7.934 0.133 1.00 0.00 C ATOM 475 C GLN A 31 1.757 -7.883 0.672 1.00 0.00 C ATOM 476 O GLN A 31 0.800 -8.168 -0.049 1.00 0.00 O ATOM 477 CB GLN A 31 3.963 -9.054 0.824 1.00 0.00 C ATOM 478 CG GLN A 31 3.361 -10.434 0.612 1.00 0.00 C ATOM 479 CD GLN A 31 3.561 -10.947 -0.800 1.00 0.00 C ATOM 480 OE1 GLN A 31 4.684 -10.998 -1.302 1.00 0.00 O ATOM 481 NE2 GLN A 31 2.468 -11.332 -1.450 1.00 0.00 N ATOM 0 H GLN A 31 4.795 -6.727 0.720 1.00 0.00 H new ATOM 0 HA GLN A 31 3.141 -8.138 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.988 -9.053 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.009 -8.847 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.810 -11.134 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.294 -10.399 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.557 -11.273 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.540 -11.687 -2.404 1.00 0.00 H new ATOM 490 N LEU A 32 1.623 -7.521 1.943 1.00 0.00 N ATOM 491 CA LEU A 32 0.313 -7.433 2.579 1.00 0.00 C ATOM 492 C LEU A 32 -0.649 -6.606 1.733 1.00 0.00 C ATOM 493 O LEU A 32 -1.732 -7.070 1.373 1.00 0.00 O ATOM 494 CB LEU A 32 0.442 -6.818 3.973 1.00 0.00 C ATOM 495 CG LEU A 32 1.128 -7.686 5.029 1.00 0.00 C ATOM 496 CD1 LEU A 32 1.259 -6.928 6.341 1.00 0.00 C ATOM 497 CD2 LEU A 32 0.358 -8.983 5.235 1.00 0.00 C ATOM 0 H LEU A 32 2.405 -7.284 2.553 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.088 -8.442 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.995 -5.882 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.556 -6.566 4.331 1.00 0.00 H new ATOM 0 HG LEU A 32 2.129 -7.933 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.749 -7.562 7.080 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.853 -6.028 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.268 -6.650 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.860 -9.588 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.655 -8.756 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.317 -9.535 4.296 1.00 0.00 H new ATOM 509 N TYR A 33 -0.247 -5.380 1.417 1.00 0.00 N ATOM 510 CA TYR A 33 -1.074 -4.488 0.613 1.00 0.00 C ATOM 511 C TYR A 33 -1.581 -5.196 -0.640 1.00 0.00 C ATOM 512 O TYR A 33 -2.717 -4.990 -1.068 1.00 0.00 O ATOM 513 CB TYR A 33 -0.282 -3.239 0.221 1.00 0.00 C ATOM 514 CG TYR A 33 -0.933 -2.428 -0.876 1.00 0.00 C ATOM 515 CD1 TYR A 33 -0.892 -2.852 -2.198 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.592 -1.238 -0.589 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.485 -2.113 -3.204 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.189 -0.494 -1.588 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.133 -0.935 -2.894 1.00 0.00 C ATOM 520 OH TYR A 33 -2.727 -0.198 -3.892 1.00 0.00 O ATOM 0 H TYR A 33 0.646 -4.981 1.705 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.934 -4.192 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.155 -2.608 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.715 -3.538 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.388 -3.775 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.638 -0.889 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.441 -2.456 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.697 0.428 -1.348 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.141 0.602 -3.506 1.00 0.00 H new ATOM 530 N LYS A 34 -0.730 -6.033 -1.223 1.00 0.00 N ATOM 531 CA LYS A 34 -1.089 -6.775 -2.426 1.00 0.00 C ATOM 532 C LYS A 34 -2.012 -7.943 -2.090 1.00 0.00 C ATOM 533 O LYS A 34 -3.175 -7.963 -2.492 1.00 0.00 O ATOM 534 CB LYS A 34 0.169 -7.291 -3.127 1.00 0.00 C ATOM 535 CG LYS A 34 0.995 -6.196 -3.779 1.00 0.00 C ATOM 536 CD LYS A 34 2.458 -6.590 -3.887 1.00 0.00 C ATOM 537 CE LYS A 34 2.666 -7.684 -4.923 1.00 0.00 C ATOM 538 NZ LYS A 34 2.429 -9.039 -4.353 1.00 0.00 N ATOM 0 H LYS A 34 0.214 -6.215 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.618 -6.097 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.788 -7.818 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.121 -8.017 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.600 -5.984 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.907 -5.278 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.052 -5.716 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.816 -6.934 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.992 -7.521 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.682 -7.627 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.130 -9.705 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.519 -9.001 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.472 -9.359 -4.606 1.00 0.00 H new ATOM 552 N ASP A 35 -1.485 -8.912 -1.349 1.00 0.00 N ATOM 553 CA ASP A 35 -2.263 -10.082 -0.957 1.00 0.00 C ATOM 554 C ASP A 35 -3.641 -9.672 -0.447 1.00 0.00 C ATOM 555 O ASP A 35 -4.574 -10.477 -0.433 1.00 0.00 O ATOM 556 CB ASP A 35 -1.522 -10.875 0.121 1.00 0.00 C ATOM 557 CG ASP A 35 -2.129 -12.244 0.353 1.00 0.00 C ATOM 558 OD1 ASP A 35 -3.314 -12.309 0.742 1.00 0.00 O ATOM 559 OD2 ASP A 35 -1.420 -13.251 0.146 1.00 0.00 O ATOM 0 H ASP A 35 -0.524 -8.911 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.394 -10.713 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.477 -10.988 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.534 -10.312 1.055 1.00 0.00 H new ATOM 564 N LEU A 36 -3.762 -8.418 -0.028 1.00 0.00 N ATOM 565 CA LEU A 36 -5.027 -7.901 0.485 1.00 0.00 C ATOM 566 C LEU A 36 -5.796 -7.164 -0.607 1.00 0.00 C ATOM 567 O LEU A 36 -6.923 -7.530 -0.942 1.00 0.00 O ATOM 568 CB LEU A 36 -4.776 -6.965 1.668 1.00 0.00 C ATOM 569 CG LEU A 36 -4.361 -7.635 2.978 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.620 -6.651 3.870 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.578 -8.198 3.698 1.00 0.00 C ATOM 0 H LEU A 36 -3.000 -7.740 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.628 -8.746 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.999 -6.254 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.684 -6.390 1.849 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.688 -8.460 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.333 -7.146 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.727 -6.296 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.269 -5.805 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.264 -8.671 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.276 -7.390 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.067 -8.936 3.063 1.00 0.00 H new ATOM 583 N VAL A 37 -5.179 -6.126 -1.161 1.00 0.00 N ATOM 584 CA VAL A 37 -5.804 -5.339 -2.218 1.00 0.00 C ATOM 585 C VAL A 37 -5.821 -6.105 -3.536 1.00 0.00 C ATOM 586 O VAL A 37 -6.874 -6.287 -4.147 1.00 0.00 O ATOM 587 CB VAL A 37 -5.075 -3.998 -2.425 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.693 -3.228 -3.583 1.00 0.00 C ATOM 589 CG2 VAL A 37 -5.105 -3.173 -1.148 1.00 0.00 C ATOM 0 H VAL A 37 -4.246 -5.810 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.829 -5.142 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.034 -4.204 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.165 -2.283 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.614 -3.818 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.743 -3.030 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.585 -2.229 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.139 -2.974 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.612 -3.724 -0.347 1.00 0.00 H new ATOM 599 N VAL A 38 -4.647 -6.554 -3.969 1.00 0.00 N ATOM 600 CA VAL A 38 -4.527 -7.302 -5.214 1.00 0.00 C ATOM 601 C VAL A 38 -5.420 -8.538 -5.201 1.00 0.00 C ATOM 602 O VAL A 38 -5.877 -8.998 -6.248 1.00 0.00 O ATOM 603 CB VAL A 38 -3.071 -7.737 -5.470 1.00 0.00 C ATOM 604 CG1 VAL A 38 -2.981 -8.590 -6.726 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.164 -6.521 -5.575 1.00 0.00 C ATOM 0 H VAL A 38 -3.766 -6.412 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.845 -6.635 -6.015 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.736 -8.340 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.945 -8.888 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.600 -9.480 -6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.334 -8.015 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.139 -6.846 -5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.495 -5.890 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.206 -5.954 -4.645 1.00 0.00 H new ATOM 615 N SER A 39 -5.665 -9.072 -4.009 1.00 0.00 N ATOM 616 CA SER A 39 -6.501 -10.257 -3.859 1.00 0.00 C ATOM 617 C SER A 39 -7.980 -9.892 -3.935 1.00 0.00 C ATOM 618 O SER A 39 -8.850 -10.748 -3.780 1.00 0.00 O ATOM 619 CB SER A 39 -6.204 -10.952 -2.528 1.00 0.00 C ATOM 620 OG SER A 39 -6.894 -12.186 -2.432 1.00 0.00 O ATOM 0 H SER A 39 -5.296 -8.703 -3.133 1.00 0.00 H new ATOM 0 HA SER A 39 -6.270 -10.939 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.132 -11.123 -2.435 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.496 -10.303 -1.702 1.00 0.00 H new ATOM 0 HG SER A 39 -7.769 -12.106 -2.867 1.00 0.00 H new ATOM 626 N GLN A 40 -8.256 -8.614 -4.176 1.00 0.00 N ATOM 627 CA GLN A 40 -9.629 -8.135 -4.273 1.00 0.00 C ATOM 628 C GLN A 40 -10.378 -8.360 -2.963 1.00 0.00 C ATOM 629 O GLN A 40 -11.575 -8.645 -2.961 1.00 0.00 O ATOM 630 CB GLN A 40 -10.358 -8.840 -5.418 1.00 0.00 C ATOM 631 CG GLN A 40 -9.627 -8.755 -6.748 1.00 0.00 C ATOM 632 CD GLN A 40 -10.010 -7.526 -7.548 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.191 -7.205 -7.687 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.012 -6.829 -8.079 1.00 0.00 N ATOM 0 H GLN A 40 -7.547 -7.893 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.600 -7.064 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.499 -9.889 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.350 -8.403 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.552 -8.745 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.844 -9.648 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.048 -7.131 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.210 -5.992 -8.627 1.00 0.00 H new ATOM 643 N VAL A 41 -9.664 -8.229 -1.849 1.00 0.00 N ATOM 644 CA VAL A 41 -10.261 -8.417 -0.532 1.00 0.00 C ATOM 645 C VAL A 41 -10.678 -7.084 0.077 1.00 0.00 C ATOM 646 O VAL A 41 -11.760 -6.965 0.654 1.00 0.00 O ATOM 647 CB VAL A 41 -9.288 -9.127 0.428 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.877 -9.197 1.829 1.00 0.00 C ATOM 649 CG2 VAL A 41 -8.950 -10.517 -0.087 1.00 0.00 C ATOM 0 H VAL A 41 -8.672 -7.993 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.144 -9.041 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.365 -8.549 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.176 -9.702 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.063 -8.188 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.815 -9.752 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.262 -11.004 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.863 -11.108 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.483 -10.438 -1.069 1.00 0.00 H new ATOM 659 N ILE A 42 -9.815 -6.083 -0.054 1.00 0.00 N ATOM 660 CA ILE A 42 -10.095 -4.757 0.482 1.00 0.00 C ATOM 661 C ILE A 42 -9.647 -3.667 -0.485 1.00 0.00 C ATOM 662 O ILE A 42 -9.068 -3.952 -1.533 1.00 0.00 O ATOM 663 CB ILE A 42 -9.400 -4.541 1.840 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.891 -4.757 1.705 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.983 -5.477 2.888 1.00 0.00 C ATOM 666 CD1 ILE A 42 -7.102 -4.266 2.898 1.00 0.00 C ATOM 0 H ILE A 42 -8.915 -6.165 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.174 -4.694 0.621 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.574 -3.514 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.695 -5.820 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.537 -4.245 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.482 -5.313 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.049 -5.280 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.836 -6.511 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.041 -4.451 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.268 -3.197 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.428 -4.796 3.793 1.00 0.00 H new ATOM 678 N SER A 43 -9.917 -2.416 -0.124 1.00 0.00 N ATOM 679 CA SER A 43 -9.544 -1.282 -0.961 1.00 0.00 C ATOM 680 C SER A 43 -8.308 -0.581 -0.406 1.00 0.00 C ATOM 681 O SER A 43 -8.115 -0.506 0.807 1.00 0.00 O ATOM 682 CB SER A 43 -10.705 -0.290 -1.061 1.00 0.00 C ATOM 683 OG SER A 43 -11.839 -0.893 -1.659 1.00 0.00 O ATOM 0 H SER A 43 -10.392 -2.163 0.742 1.00 0.00 H new ATOM 0 HA SER A 43 -9.311 -1.659 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.964 0.073 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.398 0.576 -1.647 1.00 0.00 H new ATOM 0 HG SER A 43 -12.568 -0.240 -1.710 1.00 0.00 H new ATOM 689 N ALA A 44 -7.472 -0.068 -1.304 1.00 0.00 N ATOM 690 CA ALA A 44 -6.256 0.629 -0.905 1.00 0.00 C ATOM 691 C ALA A 44 -6.473 1.419 0.381 1.00 0.00 C ATOM 692 O ALA A 44 -5.750 1.238 1.361 1.00 0.00 O ATOM 693 CB ALA A 44 -5.786 1.550 -2.020 1.00 0.00 C ATOM 0 H ALA A 44 -7.615 -0.122 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.484 -0.117 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.877 2.064 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.582 0.963 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.562 2.284 -2.237 1.00 0.00 H new ATOM 699 N GLU A 45 -7.471 2.297 0.370 1.00 0.00 N ATOM 700 CA GLU A 45 -7.781 3.116 1.536 1.00 0.00 C ATOM 701 C GLU A 45 -7.874 2.258 2.794 1.00 0.00 C ATOM 702 O GLU A 45 -7.315 2.603 3.835 1.00 0.00 O ATOM 703 CB GLU A 45 -9.094 3.871 1.322 1.00 0.00 C ATOM 704 CG GLU A 45 -9.154 5.205 2.047 1.00 0.00 C ATOM 705 CD GLU A 45 -10.571 5.614 2.400 1.00 0.00 C ATOM 706 OE1 GLU A 45 -11.303 6.063 1.494 1.00 0.00 O ATOM 707 OE2 GLU A 45 -10.947 5.484 3.584 1.00 0.00 O ATOM 0 H GLU A 45 -8.078 2.459 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.974 3.836 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.236 4.040 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.922 3.246 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.559 5.146 2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.703 5.975 1.421 1.00 0.00 H new ATOM 714 N GLU A 46 -8.584 1.139 2.690 1.00 0.00 N ATOM 715 CA GLU A 46 -8.751 0.233 3.820 1.00 0.00 C ATOM 716 C GLU A 46 -7.398 -0.192 4.381 1.00 0.00 C ATOM 717 O GLU A 46 -7.155 -0.098 5.585 1.00 0.00 O ATOM 718 CB GLU A 46 -9.551 -1.002 3.398 1.00 0.00 C ATOM 719 CG GLU A 46 -10.147 -1.769 4.566 1.00 0.00 C ATOM 720 CD GLU A 46 -11.436 -1.153 5.073 1.00 0.00 C ATOM 721 OE1 GLU A 46 -11.384 -0.031 5.619 1.00 0.00 O ATOM 722 OE2 GLU A 46 -12.498 -1.793 4.923 1.00 0.00 O ATOM 0 H GLU A 46 -9.052 0.838 1.835 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.298 0.763 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.354 -0.693 2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.902 -1.668 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.336 -2.798 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.422 -1.806 5.379 1.00 0.00 H new ATOM 729 N PHE A 47 -6.519 -0.661 3.501 1.00 0.00 N ATOM 730 CA PHE A 47 -5.190 -1.102 3.908 1.00 0.00 C ATOM 731 C PHE A 47 -4.466 -0.005 4.683 1.00 0.00 C ATOM 732 O PHE A 47 -4.057 -0.206 5.826 1.00 0.00 O ATOM 733 CB PHE A 47 -4.366 -1.505 2.683 1.00 0.00 C ATOM 734 CG PHE A 47 -2.983 -1.983 3.021 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.754 -3.310 3.346 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.912 -1.104 3.015 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.482 -3.752 3.658 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.638 -1.540 3.326 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.423 -2.866 3.649 1.00 0.00 C ATOM 0 H PHE A 47 -6.703 -0.745 2.501 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.306 -1.967 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.892 -2.293 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.292 -0.652 2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.579 -4.007 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.075 -0.066 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.317 -4.789 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.189 -0.845 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.571 -3.209 3.894 1.00 0.00 H new ATOM 749 N TRP A 48 -4.313 1.153 4.052 1.00 0.00 N ATOM 750 CA TRP A 48 -3.638 2.282 4.682 1.00 0.00 C ATOM 751 C TRP A 48 -4.445 2.809 5.864 1.00 0.00 C ATOM 752 O TRP A 48 -3.958 3.626 6.644 1.00 0.00 O ATOM 753 CB TRP A 48 -3.413 3.401 3.664 1.00 0.00 C ATOM 754 CG TRP A 48 -2.410 3.050 2.607 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.653 2.862 1.276 1.00 0.00 C ATOM 756 CD2 TRP A 48 -1.006 2.843 2.794 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.484 2.550 0.625 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.459 2.533 1.533 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.156 2.891 3.902 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.897 2.272 1.353 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.189 2.632 3.723 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.705 2.326 2.456 1.00 0.00 C ATOM 0 H TRP A 48 -4.647 1.335 3.106 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.672 1.936 5.051 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.362 3.645 3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.080 4.297 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.621 2.946 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.394 2.361 -0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.544 3.127 4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.297 2.035 0.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.854 2.666 4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.761 2.129 2.348 1.00 0.00 H new ATOM 773 N ALA A 49 -5.680 2.334 5.990 1.00 0.00 N ATOM 774 CA ALA A 49 -6.553 2.755 7.079 1.00 0.00 C ATOM 775 C ALA A 49 -6.017 2.283 8.426 1.00 0.00 C ATOM 776 O ALA A 49 -5.912 3.064 9.371 1.00 0.00 O ATOM 777 CB ALA A 49 -7.964 2.232 6.857 1.00 0.00 C ATOM 0 H ALA A 49 -6.098 1.658 5.351 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.579 3.845 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.605 2.554 7.678 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.354 2.624 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.946 1.143 6.816 1.00 0.00 H new ATOM 783 N ASN A 50 -5.681 1.000 8.507 1.00 0.00 N ATOM 784 CA ASN A 50 -5.157 0.424 9.740 1.00 0.00 C ATOM 785 C ASN A 50 -3.657 0.672 9.863 1.00 0.00 C ATOM 786 O ASN A 50 -2.966 0.000 10.628 1.00 0.00 O ATOM 787 CB ASN A 50 -5.442 -1.079 9.787 1.00 0.00 C ATOM 788 CG ASN A 50 -6.926 -1.385 9.833 1.00 0.00 C ATOM 789 OD1 ASN A 50 -7.760 -0.501 9.634 1.00 0.00 O ATOM 790 ND2 ASN A 50 -7.263 -2.641 10.097 1.00 0.00 N ATOM 0 H ASN A 50 -5.762 0.340 7.734 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.657 0.909 10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.002 -1.557 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.958 -1.511 10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.247 -2.906 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.538 -3.341 10.255 1.00 0.00 H new ATOM 797 N ARG A 51 -3.159 1.643 9.103 1.00 0.00 N ATOM 798 CA ARG A 51 -1.741 1.981 9.126 1.00 0.00 C ATOM 799 C ARG A 51 -1.519 3.356 9.749 1.00 0.00 C ATOM 800 O ARG A 51 -0.966 3.471 10.844 1.00 0.00 O ATOM 801 CB ARG A 51 -1.166 1.952 7.709 1.00 0.00 C ATOM 802 CG ARG A 51 -0.983 0.549 7.154 1.00 0.00 C ATOM 803 CD ARG A 51 0.387 -0.013 7.501 1.00 0.00 C ATOM 804 NE ARG A 51 0.440 -0.518 8.870 1.00 0.00 N ATOM 805 CZ ARG A 51 1.550 -0.970 9.444 1.00 0.00 C ATOM 806 NH1 ARG A 51 2.692 -0.979 8.770 1.00 0.00 N ATOM 807 NH2 ARG A 51 1.519 -1.412 10.695 1.00 0.00 N ATOM 0 H ARG A 51 -3.717 2.209 8.464 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.226 1.239 9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.826 2.512 7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.203 2.463 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.758 -0.105 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.107 0.566 6.071 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.635 -0.817 6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.141 0.764 7.372 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.422 -0.524 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.720 -0.638 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.543 -1.326 9.213 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.643 -1.405 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.372 -1.759 11.135 1.00 0.00 H new ATOM 821 N LEU A 52 -1.953 4.395 9.045 1.00 0.00 N ATOM 822 CA LEU A 52 -1.802 5.763 9.528 1.00 0.00 C ATOM 823 C LEU A 52 -2.896 6.110 10.533 1.00 0.00 C ATOM 824 O LEU A 52 -4.009 6.474 10.152 1.00 0.00 O ATOM 825 CB LEU A 52 -1.839 6.746 8.357 1.00 0.00 C ATOM 826 CG LEU A 52 -0.770 6.549 7.282 1.00 0.00 C ATOM 827 CD1 LEU A 52 -1.179 5.446 6.318 1.00 0.00 C ATOM 828 CD2 LEU A 52 -0.520 7.850 6.532 1.00 0.00 C ATOM 0 H LEU A 52 -2.412 4.317 8.138 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.837 5.840 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.819 6.679 7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.745 7.757 8.754 1.00 0.00 H new ATOM 0 HG LEU A 52 0.158 6.251 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.406 5.320 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.305 4.512 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.119 5.714 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.244 7.690 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.444 8.179 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.181 8.614 7.232 1.00 0.00 H new ATOM 840 N ASN A 53 -2.572 5.998 11.816 1.00 0.00 N ATOM 841 CA ASN A 53 -3.527 6.301 12.876 1.00 0.00 C ATOM 842 C ASN A 53 -3.079 7.518 13.680 1.00 0.00 C ATOM 843 O ASN A 53 -3.168 7.531 14.908 1.00 0.00 O ATOM 844 CB ASN A 53 -3.692 5.095 13.803 1.00 0.00 C ATOM 845 CG ASN A 53 -4.328 3.910 13.102 1.00 0.00 C ATOM 846 OD1 ASN A 53 -5.203 4.073 12.252 1.00 0.00 O ATOM 847 ND2 ASN A 53 -3.889 2.708 13.457 1.00 0.00 N ATOM 0 H ASN A 53 -1.655 5.699 12.148 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.487 6.528 12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.717 4.803 14.192 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.304 5.379 14.659 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.279 1.873 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.162 2.620 14.167 1.00 0.00 H new ATOM 854 N VAL A 54 -2.598 8.540 12.979 1.00 0.00 N ATOM 855 CA VAL A 54 -2.138 9.762 13.627 1.00 0.00 C ATOM 856 C VAL A 54 -3.304 10.538 14.228 1.00 0.00 C ATOM 857 O VAL A 54 -3.144 11.250 15.219 1.00 0.00 O ATOM 858 CB VAL A 54 -1.386 10.672 12.638 1.00 0.00 C ATOM 859 CG1 VAL A 54 -2.262 10.998 11.439 1.00 0.00 C ATOM 860 CG2 VAL A 54 -0.923 11.944 13.332 1.00 0.00 C ATOM 0 H VAL A 54 -2.517 8.546 11.962 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.457 9.461 14.423 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.505 10.139 12.279 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.713 11.642 10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.539 10.075 10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.163 11.511 11.775 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.393 12.576 12.619 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.788 12.482 13.721 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.256 11.687 14.155 1.00 0.00 H new ATOM 870 N ASN A 55 -4.478 10.395 13.622 1.00 0.00 N ATOM 871 CA ASN A 55 -5.673 11.083 14.098 1.00 0.00 C ATOM 872 C ASN A 55 -6.933 10.310 13.719 1.00 0.00 C ATOM 873 O ASN A 55 -7.026 9.752 12.626 1.00 0.00 O ATOM 874 CB ASN A 55 -5.736 12.498 13.520 1.00 0.00 C ATOM 875 CG ASN A 55 -7.087 13.152 13.738 1.00 0.00 C ATOM 876 OD1 ASN A 55 -7.800 13.461 12.783 1.00 0.00 O ATOM 877 ND2 ASN A 55 -7.445 13.365 14.998 1.00 0.00 N ATOM 0 H ASN A 55 -4.628 9.809 12.801 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.619 11.144 15.185 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.960 13.110 13.980 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.521 12.461 12.452 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.343 13.801 15.206 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.822 13.092 15.758 1.00 0.00 H new ATOM 884 N SER A 56 -7.900 10.283 14.630 1.00 0.00 N ATOM 885 CA SER A 56 -9.154 9.577 14.393 1.00 0.00 C ATOM 886 C SER A 56 -10.348 10.496 14.629 1.00 0.00 C ATOM 887 O SER A 56 -11.323 10.112 15.274 1.00 0.00 O ATOM 888 CB SER A 56 -9.252 8.350 15.303 1.00 0.00 C ATOM 889 OG SER A 56 -8.695 7.207 14.679 1.00 0.00 O ATOM 0 H SER A 56 -7.839 10.742 15.539 1.00 0.00 H new ATOM 0 HA SER A 56 -9.169 9.252 13.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.732 8.546 16.241 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.296 8.160 15.551 1.00 0.00 H new ATOM 0 HG SER A 56 -8.768 6.437 15.281 1.00 0.00 H new ATOM 895 N GLY A 57 -10.264 11.713 14.101 1.00 0.00 N ATOM 896 CA GLY A 57 -11.344 12.669 14.264 1.00 0.00 C ATOM 897 C GLY A 57 -11.752 13.312 12.954 1.00 0.00 C ATOM 898 O GLY A 57 -12.558 12.770 12.197 1.00 0.00 O ATOM 0 H GLY A 57 -9.467 12.054 13.563 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.206 12.167 14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.036 13.444 14.965 1.00 0.00 H new ATOM 902 N PRO A 58 -11.190 14.496 12.671 1.00 0.00 N ATOM 903 CA PRO A 58 -11.486 15.240 11.443 1.00 0.00 C ATOM 904 C PRO A 58 -10.915 14.561 10.202 1.00 0.00 C ATOM 905 O PRO A 58 -9.713 14.313 10.117 1.00 0.00 O ATOM 906 CB PRO A 58 -10.807 16.592 11.674 1.00 0.00 C ATOM 907 CG PRO A 58 -9.712 16.304 12.642 1.00 0.00 C ATOM 908 CD PRO A 58 -10.221 15.200 13.527 1.00 0.00 C ATOM 0 HA PRO A 58 -12.558 15.313 11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.415 17.003 10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.508 17.324 12.075 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.803 16.000 12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.465 17.190 13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.416 14.540 13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.692 15.592 14.428 1.00 0.00 H new ATOM 916 N SER A 59 -11.786 14.265 9.242 1.00 0.00 N ATOM 917 CA SER A 59 -11.368 13.612 8.007 1.00 0.00 C ATOM 918 C SER A 59 -10.647 14.595 7.090 1.00 0.00 C ATOM 919 O SER A 59 -10.831 15.808 7.193 1.00 0.00 O ATOM 920 CB SER A 59 -12.579 13.018 7.284 1.00 0.00 C ATOM 921 OG SER A 59 -12.190 11.968 6.416 1.00 0.00 O ATOM 0 H SER A 59 -12.784 14.467 9.296 1.00 0.00 H new ATOM 0 HA SER A 59 -10.678 12.809 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.295 12.643 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.084 13.797 6.714 1.00 0.00 H new ATOM 0 HG SER A 59 -12.982 11.604 5.967 1.00 0.00 H new ATOM 927 N SER A 60 -9.823 14.063 6.192 1.00 0.00 N ATOM 928 CA SER A 60 -9.070 14.892 5.259 1.00 0.00 C ATOM 929 C SER A 60 -9.613 14.743 3.840 1.00 0.00 C ATOM 930 O SER A 60 -10.460 13.892 3.574 1.00 0.00 O ATOM 931 CB SER A 60 -7.588 14.516 5.292 1.00 0.00 C ATOM 932 OG SER A 60 -6.945 15.078 6.423 1.00 0.00 O ATOM 0 H SER A 60 -9.660 13.061 6.091 1.00 0.00 H new ATOM 0 HA SER A 60 -9.180 15.932 5.565 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.485 13.431 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.101 14.865 4.382 1.00 0.00 H new ATOM 0 HG SER A 60 -5.999 14.822 6.422 1.00 0.00 H new ATOM 938 N GLY A 61 -9.116 15.578 2.933 1.00 0.00 N ATOM 939 CA GLY A 61 -9.562 15.525 1.553 1.00 0.00 C ATOM 940 C GLY A 61 -10.340 16.760 1.146 1.00 0.00 C ATOM 941 O GLY A 61 -9.753 17.776 0.772 1.00 0.00 O ATOM 0 H GLY A 61 -8.413 16.290 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.697 15.413 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.186 14.643 1.410 1.00 0.00 H new TER 945 GLY A 61