USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.0697 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 15:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0468 USER MOD Single : A 10 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0987 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0176 (180deg=-0.199) USER MOD Single : A 16 TYR OH : rot -176:sc= -0.02 USER MOD Single : A 17 ASN : amide:sc= -0.739 K(o=-0.74,f=-6.6!) USER MOD Single : A 24 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.78 K(o=-1.8,f=-5.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc=-0.00422 (180deg=-0.126) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0.0134 (180deg=0.0134) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -49:sc= -0.372 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= -0.743 (180deg=-2.3!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 67 THR OG1 : rot -64:sc= 0.519 USER MOD Single : A 69 THR OG1 : rot -44:sc= 0.642 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.436 4.163 12.790 1.00 0.00 N ATOM 2 CA GLY A 1 -11.972 3.792 11.466 1.00 0.00 C ATOM 3 C GLY A 1 -13.011 4.055 10.394 1.00 0.00 C ATOM 4 O GLY A 1 -13.930 3.260 10.202 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.691 3.964 13.487 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.664 5.178 12.806 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.287 3.613 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.065 4.349 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.707 2.735 11.460 1.00 0.00 H new ATOM 8 N SER A 2 -12.865 5.176 9.693 1.00 0.00 N ATOM 9 CA SER A 2 -13.801 5.544 8.638 1.00 0.00 C ATOM 10 C SER A 2 -13.464 4.823 7.336 1.00 0.00 C ATOM 11 O SER A 2 -12.463 4.112 7.249 1.00 0.00 O ATOM 12 CB SER A 2 -13.782 7.058 8.415 1.00 0.00 C ATOM 13 OG SER A 2 -12.639 7.450 7.674 1.00 0.00 O ATOM 0 H SER A 2 -12.108 5.844 9.837 1.00 0.00 H new ATOM 0 HA SER A 2 -14.800 5.242 8.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.685 7.362 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.789 7.571 9.377 1.00 0.00 H new ATOM 0 HG SER A 2 -12.651 8.421 7.543 1.00 0.00 H new ATOM 19 N SER A 3 -14.307 5.013 6.326 1.00 0.00 N ATOM 20 CA SER A 3 -14.102 4.378 5.030 1.00 0.00 C ATOM 21 C SER A 3 -14.756 5.192 3.917 1.00 0.00 C ATOM 22 O SER A 3 -15.922 5.572 4.013 1.00 0.00 O ATOM 23 CB SER A 3 -14.669 2.957 5.038 1.00 0.00 C ATOM 24 OG SER A 3 -16.054 2.963 5.338 1.00 0.00 O ATOM 0 H SER A 3 -15.138 5.602 6.381 1.00 0.00 H new ATOM 0 HA SER A 3 -13.029 4.332 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.506 2.491 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.137 2.354 5.774 1.00 0.00 H new ATOM 0 HG SER A 3 -16.446 3.816 5.057 1.00 0.00 H new ATOM 30 N GLY A 4 -13.994 5.456 2.860 1.00 0.00 N ATOM 31 CA GLY A 4 -14.515 6.223 1.743 1.00 0.00 C ATOM 32 C GLY A 4 -13.470 6.471 0.673 1.00 0.00 C ATOM 33 O GLY A 4 -12.830 5.537 0.192 1.00 0.00 O ATOM 0 H GLY A 4 -13.026 5.153 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.361 5.693 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.892 7.179 2.107 1.00 0.00 H new ATOM 37 N SER A 5 -13.299 7.735 0.298 1.00 0.00 N ATOM 38 CA SER A 5 -12.328 8.103 -0.727 1.00 0.00 C ATOM 39 C SER A 5 -10.904 7.986 -0.193 1.00 0.00 C ATOM 40 O SER A 5 -10.680 7.994 1.018 1.00 0.00 O ATOM 41 CB SER A 5 -12.587 9.530 -1.215 1.00 0.00 C ATOM 42 OG SER A 5 -13.884 9.651 -1.771 1.00 0.00 O ATOM 0 H SER A 5 -13.819 8.521 0.688 1.00 0.00 H new ATOM 0 HA SER A 5 -12.441 7.414 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.478 10.227 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.841 9.804 -1.961 1.00 0.00 H new ATOM 0 HG SER A 5 -14.026 10.572 -2.074 1.00 0.00 H new ATOM 48 N SER A 6 -9.944 7.878 -1.105 1.00 0.00 N ATOM 49 CA SER A 6 -8.541 7.756 -0.728 1.00 0.00 C ATOM 50 C SER A 6 -7.684 8.766 -1.485 1.00 0.00 C ATOM 51 O SER A 6 -8.037 9.198 -2.581 1.00 0.00 O ATOM 52 CB SER A 6 -8.038 6.337 -1.003 1.00 0.00 C ATOM 53 OG SER A 6 -6.782 6.113 -0.387 1.00 0.00 O ATOM 0 H SER A 6 -10.112 7.872 -2.111 1.00 0.00 H new ATOM 0 HA SER A 6 -8.459 7.963 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.763 5.613 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.952 6.180 -2.078 1.00 0.00 H new ATOM 0 HG SER A 6 -6.483 5.199 -0.576 1.00 0.00 H new ATOM 59 N GLY A 7 -6.555 9.139 -0.890 1.00 0.00 N ATOM 60 CA GLY A 7 -5.665 10.096 -1.521 1.00 0.00 C ATOM 61 C GLY A 7 -4.284 9.524 -1.774 1.00 0.00 C ATOM 62 O GLY A 7 -3.901 9.292 -2.921 1.00 0.00 O ATOM 0 H GLY A 7 -6.241 8.796 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.099 10.422 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.579 10.979 -0.888 1.00 0.00 H new ATOM 66 N SER A 8 -3.533 9.296 -0.701 1.00 0.00 N ATOM 67 CA SER A 8 -2.185 8.753 -0.812 1.00 0.00 C ATOM 68 C SER A 8 -1.636 8.376 0.561 1.00 0.00 C ATOM 69 O SER A 8 -1.276 9.242 1.359 1.00 0.00 O ATOM 70 CB SER A 8 -1.257 9.768 -1.484 1.00 0.00 C ATOM 71 OG SER A 8 -1.437 9.771 -2.889 1.00 0.00 O ATOM 0 H SER A 8 -3.836 9.479 0.256 1.00 0.00 H new ATOM 0 HA SER A 8 -2.232 7.853 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.454 10.764 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.220 9.530 -1.248 1.00 0.00 H new ATOM 0 HG SER A 8 -2.270 9.307 -3.113 1.00 0.00 H new ATOM 77 N THR A 9 -1.575 7.075 0.830 1.00 0.00 N ATOM 78 CA THR A 9 -1.071 6.582 2.105 1.00 0.00 C ATOM 79 C THR A 9 0.056 5.576 1.900 1.00 0.00 C ATOM 80 O THR A 9 0.494 5.344 0.773 1.00 0.00 O ATOM 81 CB THR A 9 -2.190 5.920 2.932 1.00 0.00 C ATOM 82 OG1 THR A 9 -1.902 6.041 4.330 1.00 0.00 O ATOM 83 CG2 THR A 9 -2.339 4.452 2.564 1.00 0.00 C ATOM 0 H THR A 9 -1.869 6.344 0.181 1.00 0.00 H new ATOM 0 HA THR A 9 -0.688 7.446 2.649 1.00 0.00 H new ATOM 0 HB THR A 9 -3.127 6.430 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.618 5.620 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.135 4.006 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.587 4.365 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.402 3.931 2.761 1.00 0.00 H new ATOM 91 N GLN A 10 0.519 4.981 2.994 1.00 0.00 N ATOM 92 CA GLN A 10 1.595 4.000 2.933 1.00 0.00 C ATOM 93 C GLN A 10 1.333 2.972 1.837 1.00 0.00 C ATOM 94 O GLN A 10 0.360 2.219 1.896 1.00 0.00 O ATOM 95 CB GLN A 10 1.750 3.296 4.282 1.00 0.00 C ATOM 96 CG GLN A 10 2.559 4.092 5.294 1.00 0.00 C ATOM 97 CD GLN A 10 3.882 4.574 4.734 1.00 0.00 C ATOM 98 OE1 GLN A 10 4.385 4.037 3.746 1.00 0.00 O ATOM 99 NE2 GLN A 10 4.455 5.594 5.363 1.00 0.00 N ATOM 0 H GLN A 10 0.166 5.161 3.934 1.00 0.00 H new ATOM 0 HA GLN A 10 2.520 4.527 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.761 3.098 4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.229 2.330 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.975 4.950 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.744 3.474 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.004 6.009 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.346 5.962 5.031 1.00 0.00 H new ATOM 108 N THR A 11 2.206 2.946 0.835 1.00 0.00 N ATOM 109 CA THR A 11 2.068 2.012 -0.276 1.00 0.00 C ATOM 110 C THR A 11 2.581 0.628 0.104 1.00 0.00 C ATOM 111 O THR A 11 1.797 -0.288 0.352 1.00 0.00 O ATOM 112 CB THR A 11 2.828 2.505 -1.522 1.00 0.00 C ATOM 113 OG1 THR A 11 3.959 3.290 -1.128 1.00 0.00 O ATOM 114 CG2 THR A 11 1.918 3.332 -2.418 1.00 0.00 C ATOM 0 H THR A 11 3.017 3.561 0.770 1.00 0.00 H new ATOM 0 HA THR A 11 1.005 1.952 -0.509 1.00 0.00 H new ATOM 0 HB THR A 11 3.169 1.634 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.437 3.598 -1.926 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.476 3.669 -3.291 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.073 2.723 -2.740 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.552 4.197 -1.865 1.00 0.00 H new ATOM 122 N ASP A 12 3.901 0.482 0.147 1.00 0.00 N ATOM 123 CA ASP A 12 4.518 -0.791 0.498 1.00 0.00 C ATOM 124 C ASP A 12 3.830 -1.414 1.709 1.00 0.00 C ATOM 125 O ASP A 12 3.394 -2.565 1.665 1.00 0.00 O ATOM 126 CB ASP A 12 6.008 -0.598 0.787 1.00 0.00 C ATOM 127 CG ASP A 12 6.310 0.764 1.380 1.00 0.00 C ATOM 128 OD1 ASP A 12 5.742 1.087 2.444 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.115 1.508 0.780 1.00 0.00 O ATOM 0 H ASP A 12 4.564 1.230 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 12 4.404 -1.467 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.345 -1.374 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.574 -0.723 -0.136 1.00 0.00 H new ATOM 134 N LYS A 13 3.735 -0.646 2.789 1.00 0.00 N ATOM 135 CA LYS A 13 3.099 -1.121 4.012 1.00 0.00 C ATOM 136 C LYS A 13 1.687 -1.623 3.732 1.00 0.00 C ATOM 137 O LYS A 13 1.403 -2.813 3.869 1.00 0.00 O ATOM 138 CB LYS A 13 3.056 -0.002 5.056 1.00 0.00 C ATOM 139 CG LYS A 13 3.146 -0.502 6.487 1.00 0.00 C ATOM 140 CD LYS A 13 1.794 -0.966 7.002 1.00 0.00 C ATOM 141 CE LYS A 13 0.887 0.212 7.324 1.00 0.00 C ATOM 142 NZ LYS A 13 1.356 0.962 8.522 1.00 0.00 N ATOM 0 H LYS A 13 4.091 0.309 2.842 1.00 0.00 H new ATOM 0 HA LYS A 13 3.690 -1.951 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.878 0.690 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.131 0.562 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.859 -1.325 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.527 0.293 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.317 -1.601 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.933 -1.575 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.847 0.885 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.128 -0.147 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.590 1.574 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.629 0.290 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.177 1.547 8.266 1.00 0.00 H new ATOM 156 N ALA A 14 0.806 -0.710 3.338 1.00 0.00 N ATOM 157 CA ALA A 14 -0.576 -1.061 3.035 1.00 0.00 C ATOM 158 C ALA A 14 -0.645 -2.127 1.946 1.00 0.00 C ATOM 159 O ALA A 14 -1.659 -2.810 1.795 1.00 0.00 O ATOM 160 CB ALA A 14 -1.356 0.176 2.614 1.00 0.00 C ATOM 0 H ALA A 14 1.025 0.279 3.221 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.027 -1.471 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.386 -0.102 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.344 0.906 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.897 0.611 1.726 1.00 0.00 H new ATOM 166 N LEU A 15 0.438 -2.265 1.190 1.00 0.00 N ATOM 167 CA LEU A 15 0.501 -3.248 0.114 1.00 0.00 C ATOM 168 C LEU A 15 0.782 -4.642 0.666 1.00 0.00 C ATOM 169 O LEU A 15 0.257 -5.637 0.164 1.00 0.00 O ATOM 170 CB LEU A 15 1.581 -2.860 -0.896 1.00 0.00 C ATOM 171 CG LEU A 15 1.115 -2.027 -2.091 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.379 -2.900 -3.095 1.00 0.00 C ATOM 173 CD2 LEU A 15 0.229 -0.880 -1.628 1.00 0.00 C ATOM 0 H LEU A 15 1.285 -1.708 1.302 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.467 -3.264 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.358 -2.303 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.042 -3.773 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 15 1.993 -1.606 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.055 -2.290 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.045 -3.686 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.491 -3.350 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.093 -0.298 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.645 -1.280 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.789 -0.239 -0.947 1.00 0.00 H new ATOM 185 N TYR A 16 1.610 -4.706 1.702 1.00 0.00 N ATOM 186 CA TYR A 16 1.961 -5.978 2.323 1.00 0.00 C ATOM 187 C TYR A 16 0.784 -6.542 3.112 1.00 0.00 C ATOM 188 O TYR A 16 0.417 -7.706 2.955 1.00 0.00 O ATOM 189 CB TYR A 16 3.171 -5.804 3.243 1.00 0.00 C ATOM 190 CG TYR A 16 3.770 -7.112 3.708 1.00 0.00 C ATOM 191 CD1 TYR A 16 3.991 -8.154 2.815 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.115 -7.306 5.040 1.00 0.00 C ATOM 193 CE1 TYR A 16 4.539 -9.351 3.236 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.664 -8.499 5.469 1.00 0.00 C ATOM 195 CZ TYR A 16 4.874 -9.518 4.563 1.00 0.00 C ATOM 196 OH TYR A 16 5.419 -10.709 4.987 1.00 0.00 O ATOM 0 H TYR A 16 2.051 -3.892 2.130 1.00 0.00 H new ATOM 0 HA TYR A 16 2.214 -6.682 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.935 -5.230 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.874 -5.220 4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.730 -8.026 1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.951 -6.511 5.752 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.704 -10.151 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.927 -8.633 6.508 1.00 0.00 H new ATOM 0 HH TYR A 16 5.539 -10.686 5.959 1.00 0.00 H new ATOM 206 N ASN A 17 0.196 -5.707 3.963 1.00 0.00 N ATOM 207 CA ASN A 17 -0.941 -6.121 4.778 1.00 0.00 C ATOM 208 C ASN A 17 -1.896 -6.997 3.974 1.00 0.00 C ATOM 209 O ASN A 17 -2.358 -8.033 4.454 1.00 0.00 O ATOM 210 CB ASN A 17 -1.683 -4.895 5.314 1.00 0.00 C ATOM 211 CG ASN A 17 -0.809 -4.033 6.203 1.00 0.00 C ATOM 212 OD1 ASN A 17 -0.610 -2.848 5.936 1.00 0.00 O ATOM 213 ND2 ASN A 17 -0.280 -4.625 7.268 1.00 0.00 N ATOM 0 H ASN A 17 0.488 -4.740 4.106 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.562 -6.704 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.045 -4.298 4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.559 -5.221 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.317 -4.095 7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.471 -5.610 7.452 1.00 0.00 H new ATOM 220 N ARG A 18 -2.189 -6.575 2.748 1.00 0.00 N ATOM 221 CA ARG A 18 -3.090 -7.320 1.878 1.00 0.00 C ATOM 222 C ARG A 18 -2.400 -8.559 1.313 1.00 0.00 C ATOM 223 O ARG A 18 -2.917 -9.672 1.416 1.00 0.00 O ATOM 224 CB ARG A 18 -3.581 -6.431 0.734 1.00 0.00 C ATOM 225 CG ARG A 18 -4.652 -5.437 1.152 1.00 0.00 C ATOM 226 CD ARG A 18 -5.283 -4.758 -0.053 1.00 0.00 C ATOM 227 NE ARG A 18 -6.280 -5.606 -0.700 1.00 0.00 N ATOM 228 CZ ARG A 18 -7.454 -5.905 -0.156 1.00 0.00 C ATOM 229 NH1 ARG A 18 -7.777 -5.427 1.037 1.00 0.00 N ATOM 230 NH2 ARG A 18 -8.309 -6.684 -0.807 1.00 0.00 N ATOM 0 H ARG A 18 -1.815 -5.721 2.335 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.945 -7.640 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.733 -5.886 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.974 -7.063 -0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.423 -5.951 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.215 -4.684 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.750 -3.824 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.505 -4.500 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.063 -5.990 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.123 -4.827 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.680 -5.659 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.065 -7.053 -1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.211 -6.913 -0.388 1.00 0.00 H new ATOM 244 N LEU A 19 -1.230 -8.357 0.717 1.00 0.00 N ATOM 245 CA LEU A 19 -0.468 -9.457 0.136 1.00 0.00 C ATOM 246 C LEU A 19 -0.522 -10.690 1.032 1.00 0.00 C ATOM 247 O LEU A 19 -0.705 -11.810 0.554 1.00 0.00 O ATOM 248 CB LEU A 19 0.986 -9.036 -0.085 1.00 0.00 C ATOM 249 CG LEU A 19 1.285 -8.320 -1.403 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.634 -7.622 -1.337 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.247 -9.303 -2.564 1.00 0.00 C ATOM 0 H LEU A 19 -0.788 -7.442 0.623 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.917 -9.709 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.283 -8.383 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.614 -9.925 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 19 0.516 -7.565 -1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.830 -7.118 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.625 -6.889 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.416 -8.358 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.462 -8.776 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.994 -10.081 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.258 -9.757 -2.624 1.00 0.00 H new ATOM 263 N VAL A 20 -0.363 -10.477 2.334 1.00 0.00 N ATOM 264 CA VAL A 20 -0.396 -11.570 3.298 1.00 0.00 C ATOM 265 C VAL A 20 -1.657 -11.511 4.153 1.00 0.00 C ATOM 266 O VAL A 20 -1.648 -11.019 5.282 1.00 0.00 O ATOM 267 CB VAL A 20 0.838 -11.545 4.219 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.774 -12.680 5.229 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.116 -11.622 3.398 1.00 0.00 C ATOM 0 H VAL A 20 -0.210 -9.556 2.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.392 -12.497 2.725 1.00 0.00 H new ATOM 0 HB VAL A 20 0.842 -10.603 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.654 -12.646 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.124 -12.575 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.745 -13.634 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.978 -11.603 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.123 -12.547 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.164 -10.771 2.719 1.00 0.00 H new ATOM 279 N PRO A 21 -2.768 -12.023 3.605 1.00 0.00 N ATOM 280 CA PRO A 21 -4.059 -12.041 4.301 1.00 0.00 C ATOM 281 C PRO A 21 -4.071 -13.014 5.475 1.00 0.00 C ATOM 282 O PRO A 21 -3.057 -13.641 5.785 1.00 0.00 O ATOM 283 CB PRO A 21 -5.040 -12.497 3.218 1.00 0.00 C ATOM 284 CG PRO A 21 -4.208 -13.274 2.257 1.00 0.00 C ATOM 285 CD PRO A 21 -2.852 -12.625 2.264 1.00 0.00 C ATOM 0 HA PRO A 21 -4.302 -11.071 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.837 -13.111 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.516 -11.646 2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.141 -14.320 2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.645 -13.255 1.258 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.057 -13.353 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.762 -11.873 1.480 1.00 0.00 H new ATOM 293 N LEU A 22 -5.223 -13.137 6.124 1.00 0.00 N ATOM 294 CA LEU A 22 -5.367 -14.035 7.264 1.00 0.00 C ATOM 295 C LEU A 22 -6.684 -14.802 7.190 1.00 0.00 C ATOM 296 O LEU A 22 -7.762 -14.210 7.227 1.00 0.00 O ATOM 297 CB LEU A 22 -5.297 -13.246 8.572 1.00 0.00 C ATOM 298 CG LEU A 22 -4.958 -14.053 9.826 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.661 -14.824 9.630 1.00 0.00 C ATOM 300 CD2 LEU A 22 -4.858 -13.139 11.038 1.00 0.00 C ATOM 0 H LEU A 22 -6.071 -12.626 5.880 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.547 -14.753 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.552 -12.459 8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.258 -12.755 8.729 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.761 -14.769 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.436 -15.392 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.768 -15.508 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.849 -14.125 9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.616 -13.731 11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.075 -12.399 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.811 -12.632 11.191 1.00 0.00 H new ATOM 312 N VAL A 23 -6.587 -16.124 7.086 1.00 0.00 N ATOM 313 CA VAL A 23 -7.770 -16.973 7.010 1.00 0.00 C ATOM 314 C VAL A 23 -7.750 -18.042 8.097 1.00 0.00 C ATOM 315 O VAL A 23 -8.752 -18.275 8.772 1.00 0.00 O ATOM 316 CB VAL A 23 -7.883 -17.657 5.635 1.00 0.00 C ATOM 317 CG1 VAL A 23 -7.998 -16.618 4.530 1.00 0.00 C ATOM 318 CG2 VAL A 23 -6.692 -18.572 5.396 1.00 0.00 C ATOM 0 H VAL A 23 -5.702 -16.630 7.052 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.634 -16.325 7.157 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.787 -18.266 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.077 -17.120 3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.886 -16.008 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.114 -15.981 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.788 -19.047 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.772 -17.988 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.660 -19.338 6.171 1.00 0.00 H new ATOM 328 N ASN A 24 -6.601 -18.691 8.260 1.00 0.00 N ATOM 329 CA ASN A 24 -6.450 -19.736 9.265 1.00 0.00 C ATOM 330 C ASN A 24 -5.860 -19.171 10.554 1.00 0.00 C ATOM 331 O ASN A 24 -4.995 -19.787 11.175 1.00 0.00 O ATOM 332 CB ASN A 24 -5.557 -20.859 8.732 1.00 0.00 C ATOM 333 CG ASN A 24 -5.653 -22.120 9.570 1.00 0.00 C ATOM 334 OD1 ASN A 24 -5.821 -22.058 10.788 1.00 0.00 O ATOM 335 ND2 ASN A 24 -5.545 -23.272 8.919 1.00 0.00 N ATOM 0 H ASN A 24 -5.762 -18.511 7.709 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.438 -20.139 9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.839 -21.087 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.522 -20.518 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.601 -24.153 9.429 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.406 -23.276 7.908 1.00 0.00 H new ATOM 342 N GLY A 25 -6.335 -17.994 10.949 1.00 0.00 N ATOM 343 CA GLY A 25 -5.844 -17.365 12.162 1.00 0.00 C ATOM 344 C GLY A 25 -4.331 -17.375 12.248 1.00 0.00 C ATOM 345 O GLY A 25 -3.763 -17.328 13.339 1.00 0.00 O ATOM 0 H GLY A 25 -7.051 -17.465 10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.200 -16.336 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.258 -17.881 13.028 1.00 0.00 H new ATOM 349 N VAL A 26 -3.674 -17.437 11.093 1.00 0.00 N ATOM 350 CA VAL A 26 -2.217 -17.453 11.043 1.00 0.00 C ATOM 351 C VAL A 26 -1.710 -17.013 9.674 1.00 0.00 C ATOM 352 O VAL A 26 -2.065 -17.599 8.651 1.00 0.00 O ATOM 353 CB VAL A 26 -1.660 -18.854 11.359 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.115 -19.858 10.311 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.142 -18.815 11.448 1.00 0.00 C ATOM 0 H VAL A 26 -4.128 -17.477 10.180 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.866 -16.752 11.800 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.050 -19.172 12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.712 -20.842 10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.204 -19.905 10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.756 -19.548 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.235 -19.813 11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.270 -18.476 10.497 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.159 -18.128 12.239 1.00 0.00 H new ATOM 365 N ARG A 27 -0.877 -15.978 9.662 1.00 0.00 N ATOM 366 CA ARG A 27 -0.321 -15.458 8.418 1.00 0.00 C ATOM 367 C ARG A 27 0.761 -16.388 7.877 1.00 0.00 C ATOM 368 O ARG A 27 1.669 -16.788 8.604 1.00 0.00 O ATOM 369 CB ARG A 27 0.257 -14.059 8.638 1.00 0.00 C ATOM 370 CG ARG A 27 -0.739 -13.074 9.229 1.00 0.00 C ATOM 371 CD ARG A 27 -0.038 -11.969 10.003 1.00 0.00 C ATOM 372 NE ARG A 27 -0.955 -11.251 10.883 1.00 0.00 N ATOM 373 CZ ARG A 27 -0.592 -10.223 11.643 1.00 0.00 C ATOM 374 NH1 ARG A 27 0.663 -9.796 11.629 1.00 0.00 N ATOM 375 NH2 ARG A 27 -1.485 -9.621 12.417 1.00 0.00 N ATOM 0 H ARG A 27 -0.572 -15.483 10.500 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.126 -15.399 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.120 -14.132 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.618 -13.670 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.337 -12.637 8.430 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.427 -13.602 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.771 -12.398 10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.416 -11.268 9.303 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.928 -11.555 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.352 -10.257 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.940 -9.007 12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.451 -9.947 12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.205 -8.832 13.000 1.00 0.00 H new ATOM 389 N GLU A 28 0.655 -16.727 6.596 1.00 0.00 N ATOM 390 CA GLU A 28 1.624 -17.611 5.958 1.00 0.00 C ATOM 391 C GLU A 28 1.683 -17.359 4.454 1.00 0.00 C ATOM 392 O GLU A 28 0.783 -16.745 3.880 1.00 0.00 O ATOM 393 CB GLU A 28 1.268 -19.074 6.228 1.00 0.00 C ATOM 394 CG GLU A 28 0.086 -19.573 5.414 1.00 0.00 C ATOM 395 CD GLU A 28 -1.174 -18.767 5.661 1.00 0.00 C ATOM 396 OE1 GLU A 28 -1.387 -17.764 4.948 1.00 0.00 O ATOM 397 OE2 GLU A 28 -1.948 -19.140 6.567 1.00 0.00 O ATOM 0 H GLU A 28 -0.091 -16.403 5.980 1.00 0.00 H new ATOM 0 HA GLU A 28 2.605 -17.399 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.136 -19.696 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.045 -19.195 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.337 -19.533 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.102 -20.619 5.657 1.00 0.00 H new ATOM 404 N PHE A 29 2.748 -17.838 3.821 1.00 0.00 N ATOM 405 CA PHE A 29 2.926 -17.664 2.384 1.00 0.00 C ATOM 406 C PHE A 29 2.456 -18.901 1.624 1.00 0.00 C ATOM 407 O PHE A 29 2.298 -19.975 2.203 1.00 0.00 O ATOM 408 CB PHE A 29 4.395 -17.381 2.061 1.00 0.00 C ATOM 409 CG PHE A 29 4.876 -16.053 2.572 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.204 -14.886 2.248 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.001 -15.972 3.377 1.00 0.00 C ATOM 412 CE1 PHE A 29 4.643 -13.662 2.718 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.445 -14.752 3.850 1.00 0.00 C ATOM 414 CZ PHE A 29 5.766 -13.596 3.519 1.00 0.00 C ATOM 0 H PHE A 29 3.501 -18.350 4.280 1.00 0.00 H new ATOM 0 HA PHE A 29 2.321 -16.814 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.012 -18.171 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.535 -17.418 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.326 -14.933 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.537 -16.873 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.109 -12.760 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.322 -14.703 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.113 -12.641 3.886 1.00 0.00 H new ATOM 424 N SER A 30 2.234 -18.740 0.323 1.00 0.00 N ATOM 425 CA SER A 30 1.777 -19.842 -0.516 1.00 0.00 C ATOM 426 C SER A 30 2.882 -20.295 -1.466 1.00 0.00 C ATOM 427 O SER A 30 3.881 -19.601 -1.648 1.00 0.00 O ATOM 428 CB SER A 30 0.542 -19.424 -1.315 1.00 0.00 C ATOM 429 OG SER A 30 0.851 -18.382 -2.224 1.00 0.00 O ATOM 0 H SER A 30 2.363 -17.858 -0.172 1.00 0.00 H new ATOM 0 HA SER A 30 1.515 -20.677 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.150 -20.282 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.242 -19.095 -0.633 1.00 0.00 H new ATOM 0 HG SER A 30 0.045 -18.134 -2.724 1.00 0.00 H new ATOM 435 N GLU A 31 2.693 -21.465 -2.068 1.00 0.00 N ATOM 436 CA GLU A 31 3.674 -22.012 -2.998 1.00 0.00 C ATOM 437 C GLU A 31 4.069 -20.973 -4.044 1.00 0.00 C ATOM 438 O GLU A 31 5.198 -20.972 -4.537 1.00 0.00 O ATOM 439 CB GLU A 31 3.116 -23.259 -3.687 1.00 0.00 C ATOM 440 CG GLU A 31 1.853 -22.997 -4.489 1.00 0.00 C ATOM 441 CD GLU A 31 1.245 -24.268 -5.052 1.00 0.00 C ATOM 442 OE1 GLU A 31 2.011 -25.124 -5.543 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.005 -24.406 -5.002 1.00 0.00 O ATOM 0 H GLU A 31 1.870 -22.052 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 31 4.563 -22.287 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.878 -23.670 -4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.907 -24.018 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.121 -22.499 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.082 -22.315 -5.308 1.00 0.00 H new ATOM 450 N ILE A 32 3.133 -20.092 -4.378 1.00 0.00 N ATOM 451 CA ILE A 32 3.383 -19.049 -5.364 1.00 0.00 C ATOM 452 C ILE A 32 4.319 -17.981 -4.809 1.00 0.00 C ATOM 453 O ILE A 32 5.392 -17.736 -5.360 1.00 0.00 O ATOM 454 CB ILE A 32 2.073 -18.380 -5.821 1.00 0.00 C ATOM 455 CG1 ILE A 32 1.140 -19.414 -6.453 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.367 -17.254 -6.802 1.00 0.00 C ATOM 457 CD1 ILE A 32 0.213 -20.079 -5.460 1.00 0.00 C ATOM 0 H ILE A 32 2.194 -20.080 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 32 3.853 -19.531 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 32 1.576 -17.955 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.544 -18.929 -7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.740 -20.179 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.431 -16.791 -7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.998 -16.507 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.883 -17.656 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.419 -20.800 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.802 -20.593 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.413 -19.324 -4.984 1.00 0.00 H new ATOM 469 N GLN A 33 3.906 -17.350 -3.715 1.00 0.00 N ATOM 470 CA GLN A 33 4.709 -16.309 -3.084 1.00 0.00 C ATOM 471 C GLN A 33 6.147 -16.775 -2.887 1.00 0.00 C ATOM 472 O GLN A 33 7.093 -16.080 -3.261 1.00 0.00 O ATOM 473 CB GLN A 33 4.100 -15.911 -1.739 1.00 0.00 C ATOM 474 CG GLN A 33 2.734 -15.254 -1.859 1.00 0.00 C ATOM 475 CD GLN A 33 2.180 -14.810 -0.519 1.00 0.00 C ATOM 476 OE1 GLN A 33 1.728 -15.630 0.281 1.00 0.00 O ATOM 477 NE2 GLN A 33 2.213 -13.507 -0.268 1.00 0.00 N ATOM 0 H GLN A 33 3.020 -17.541 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 33 4.715 -15.441 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.013 -16.799 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.779 -15.227 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.807 -14.392 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.038 -15.954 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.597 -12.864 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.855 -13.149 0.617 1.00 0.00 H new ATOM 486 N LEU A 34 6.306 -17.955 -2.298 1.00 0.00 N ATOM 487 CA LEU A 34 7.630 -18.515 -2.051 1.00 0.00 C ATOM 488 C LEU A 34 8.428 -18.620 -3.346 1.00 0.00 C ATOM 489 O LEU A 34 9.437 -17.936 -3.522 1.00 0.00 O ATOM 490 CB LEU A 34 7.509 -19.895 -1.401 1.00 0.00 C ATOM 491 CG LEU A 34 6.591 -19.983 -0.181 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.980 -21.372 -0.072 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.356 -19.634 1.088 1.00 0.00 C ATOM 0 H LEU A 34 5.534 -18.543 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 34 8.159 -17.845 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.150 -20.598 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.505 -20.224 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 34 5.783 -19.262 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.330 -21.416 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.398 -21.585 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.774 -22.112 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.687 -19.702 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.184 -20.331 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.745 -18.619 1.011 1.00 0.00 H new ATOM 505 N SER A 35 7.968 -19.478 -4.251 1.00 0.00 N ATOM 506 CA SER A 35 8.639 -19.672 -5.531 1.00 0.00 C ATOM 507 C SER A 35 9.149 -18.345 -6.085 1.00 0.00 C ATOM 508 O SER A 35 10.111 -18.309 -6.852 1.00 0.00 O ATOM 509 CB SER A 35 7.689 -20.326 -6.536 1.00 0.00 C ATOM 510 OG SER A 35 8.407 -21.039 -7.528 1.00 0.00 O ATOM 0 H SER A 35 7.133 -20.050 -4.121 1.00 0.00 H new ATOM 0 HA SER A 35 9.493 -20.330 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.013 -21.004 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.072 -19.562 -7.008 1.00 0.00 H new ATOM 0 HG SER A 35 7.777 -21.449 -8.157 1.00 0.00 H new ATOM 516 N ARG A 36 8.497 -17.257 -5.689 1.00 0.00 N ATOM 517 CA ARG A 36 8.882 -15.927 -6.146 1.00 0.00 C ATOM 518 C ARG A 36 9.954 -15.330 -5.239 1.00 0.00 C ATOM 519 O ARG A 36 10.890 -14.682 -5.709 1.00 0.00 O ATOM 520 CB ARG A 36 7.662 -15.005 -6.187 1.00 0.00 C ATOM 521 CG ARG A 36 6.628 -15.411 -7.225 1.00 0.00 C ATOM 522 CD ARG A 36 5.721 -14.246 -7.592 1.00 0.00 C ATOM 523 NE ARG A 36 4.576 -14.675 -8.391 1.00 0.00 N ATOM 524 CZ ARG A 36 3.590 -13.863 -8.756 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.610 -12.587 -8.398 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.582 -14.327 -9.483 1.00 0.00 N ATOM 0 H ARG A 36 7.700 -17.270 -5.053 1.00 0.00 H new ATOM 0 HA ARG A 36 9.292 -16.020 -7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.192 -14.993 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.993 -13.987 -6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.133 -15.777 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.027 -16.234 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.367 -13.761 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.293 -13.502 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 36 4.531 -15.651 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.384 -12.226 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.851 -11.966 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.564 -15.308 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.825 -13.703 -9.763 1.00 0.00 H new ATOM 540 N LEU A 37 9.810 -15.551 -3.937 1.00 0.00 N ATOM 541 CA LEU A 37 10.765 -15.034 -2.963 1.00 0.00 C ATOM 542 C LEU A 37 12.150 -15.630 -3.189 1.00 0.00 C ATOM 543 O LEU A 37 13.166 -14.979 -2.945 1.00 0.00 O ATOM 544 CB LEU A 37 10.291 -15.343 -1.541 1.00 0.00 C ATOM 545 CG LEU A 37 9.049 -14.587 -1.069 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.516 -15.189 0.222 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.363 -13.110 -0.880 1.00 0.00 C ATOM 0 H LEU A 37 9.041 -16.085 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 37 10.829 -13.954 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.090 -16.412 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.107 -15.126 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 37 8.279 -14.679 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.632 -14.638 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.252 -16.233 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.282 -15.128 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.467 -12.588 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.150 -12.998 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.697 -12.685 -1.827 1.00 0.00 H new ATOM 559 N LYS A 38 12.185 -16.872 -3.661 1.00 0.00 N ATOM 560 CA LYS A 38 13.445 -17.556 -3.925 1.00 0.00 C ATOM 561 C LYS A 38 14.212 -16.867 -5.049 1.00 0.00 C ATOM 562 O LYS A 38 15.430 -16.704 -4.975 1.00 0.00 O ATOM 563 CB LYS A 38 13.188 -19.019 -4.290 1.00 0.00 C ATOM 564 CG LYS A 38 13.082 -19.938 -3.085 1.00 0.00 C ATOM 565 CD LYS A 38 13.519 -21.353 -3.423 1.00 0.00 C ATOM 566 CE LYS A 38 12.982 -22.358 -2.415 1.00 0.00 C ATOM 567 NZ LYS A 38 13.671 -22.246 -1.099 1.00 0.00 N ATOM 0 H LYS A 38 11.354 -17.426 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 38 14.049 -17.515 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.266 -19.084 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.994 -19.371 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.699 -19.550 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.053 -19.950 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.168 -21.615 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.608 -21.403 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.912 -22.200 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.108 -23.368 -2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.277 -22.947 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.688 -22.422 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.529 -21.291 -0.713 1.00 0.00 H new ATOM 581 N LYS A 39 13.492 -16.464 -6.090 1.00 0.00 N ATOM 582 CA LYS A 39 14.104 -15.790 -7.230 1.00 0.00 C ATOM 583 C LYS A 39 14.917 -14.583 -6.775 1.00 0.00 C ATOM 584 O LYS A 39 16.079 -14.426 -7.153 1.00 0.00 O ATOM 585 CB LYS A 39 13.028 -15.349 -8.225 1.00 0.00 C ATOM 586 CG LYS A 39 12.563 -16.459 -9.151 1.00 0.00 C ATOM 587 CD LYS A 39 11.115 -16.268 -9.567 1.00 0.00 C ATOM 588 CE LYS A 39 10.981 -15.204 -10.646 1.00 0.00 C ATOM 589 NZ LYS A 39 11.491 -15.680 -11.961 1.00 0.00 N ATOM 0 H LYS A 39 12.483 -16.592 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 39 14.776 -16.494 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.170 -14.965 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.416 -14.526 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.197 -16.484 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.675 -17.421 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.713 -17.212 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.520 -15.984 -8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.934 -14.917 -10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.529 -14.311 -10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.173 -15.034 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.531 -15.704 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.126 -16.636 -12.150 1.00 0.00 H new ATOM 603 N LEU A 40 14.301 -13.733 -5.961 1.00 0.00 N ATOM 604 CA LEU A 40 14.969 -12.539 -5.454 1.00 0.00 C ATOM 605 C LEU A 40 16.183 -12.913 -4.609 1.00 0.00 C ATOM 606 O LEU A 40 17.176 -12.187 -4.575 1.00 0.00 O ATOM 607 CB LEU A 40 13.996 -11.699 -4.625 1.00 0.00 C ATOM 608 CG LEU A 40 12.756 -11.189 -5.360 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.639 -10.882 -4.374 1.00 0.00 C ATOM 610 CD2 LEU A 40 13.095 -9.956 -6.185 1.00 0.00 C ATOM 0 H LEU A 40 13.340 -13.848 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 40 15.309 -11.952 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.669 -12.294 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.537 -10.840 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 40 12.411 -11.971 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.765 -10.520 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.378 -11.788 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.973 -10.118 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.201 -9.607 -6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.465 -9.169 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.862 -10.208 -6.918 1.00 0.00 H new ATOM 622 N GLY A 41 16.097 -14.052 -3.929 1.00 0.00 N ATOM 623 CA GLY A 41 17.195 -14.503 -3.095 1.00 0.00 C ATOM 624 C GLY A 41 16.952 -14.239 -1.622 1.00 0.00 C ATOM 625 O GLY A 41 17.897 -14.109 -0.843 1.00 0.00 O ATOM 0 H GLY A 41 15.286 -14.671 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.349 -15.571 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.112 -14.001 -3.404 1.00 0.00 H new ATOM 629 N ILE A 42 15.682 -14.159 -1.239 1.00 0.00 N ATOM 630 CA ILE A 42 15.318 -13.908 0.150 1.00 0.00 C ATOM 631 C ILE A 42 15.457 -15.172 0.991 1.00 0.00 C ATOM 632 O ILE A 42 16.023 -15.144 2.084 1.00 0.00 O ATOM 633 CB ILE A 42 13.875 -13.382 0.267 1.00 0.00 C ATOM 634 CG1 ILE A 42 13.705 -12.105 -0.559 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.521 -13.128 1.725 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.332 -11.482 -0.433 1.00 0.00 C ATOM 0 H ILE A 42 14.888 -14.264 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 42 16.004 -13.148 0.525 1.00 0.00 H new ATOM 0 HB ILE A 42 13.195 -14.138 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.455 -11.378 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 42 13.897 -12.332 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.498 -12.757 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.607 -14.058 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.204 -12.387 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 42 12.284 -10.581 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.578 -12.192 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.144 -11.223 0.609 1.00 0.00 H new ATOM 648 N HIS A 43 14.938 -16.281 0.473 1.00 0.00 N ATOM 649 CA HIS A 43 15.006 -17.557 1.176 1.00 0.00 C ATOM 650 C HIS A 43 14.248 -17.490 2.499 1.00 0.00 C ATOM 651 O HIS A 43 14.683 -18.051 3.505 1.00 0.00 O ATOM 652 CB HIS A 43 16.462 -17.947 1.429 1.00 0.00 C ATOM 653 CG HIS A 43 17.216 -18.290 0.181 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.770 -19.219 -0.735 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.391 -17.822 -0.301 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.639 -19.308 -1.726 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.632 -18.470 -1.487 1.00 0.00 N ATOM 0 H HIS A 43 14.466 -16.322 -0.430 1.00 0.00 H new ATOM 0 HA HIS A 43 14.538 -18.315 0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 43 16.967 -17.124 1.934 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.488 -18.801 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.022 -17.077 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.552 -19.956 -2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.445 -18.328 -2.086 1.00 0.00 H new ATOM 666 N LYS A 44 13.112 -16.801 2.490 1.00 0.00 N ATOM 667 CA LYS A 44 12.292 -16.660 3.687 1.00 0.00 C ATOM 668 C LYS A 44 10.917 -17.289 3.482 1.00 0.00 C ATOM 669 O LYS A 44 10.252 -17.038 2.476 1.00 0.00 O ATOM 670 CB LYS A 44 12.140 -15.183 4.056 1.00 0.00 C ATOM 671 CG LYS A 44 13.354 -14.603 4.759 1.00 0.00 C ATOM 672 CD LYS A 44 13.249 -13.094 4.901 1.00 0.00 C ATOM 673 CE LYS A 44 14.608 -12.463 5.165 1.00 0.00 C ATOM 674 NZ LYS A 44 15.057 -12.679 6.568 1.00 0.00 N ATOM 0 H LYS A 44 12.738 -16.331 1.666 1.00 0.00 H new ATOM 0 HA LYS A 44 12.792 -17.181 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.947 -14.609 3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.268 -15.066 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.455 -15.056 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.255 -14.855 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.821 -12.671 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.569 -12.851 5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.343 -12.884 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.558 -11.394 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.987 -12.234 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.369 -12.255 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.130 -13.699 6.756 1.00 0.00 H new ATOM 688 N THR A 45 10.495 -18.105 4.443 1.00 0.00 N ATOM 689 CA THR A 45 9.200 -18.768 4.368 1.00 0.00 C ATOM 690 C THR A 45 8.313 -18.379 5.545 1.00 0.00 C ATOM 691 O THR A 45 7.551 -19.198 6.058 1.00 0.00 O ATOM 692 CB THR A 45 9.354 -20.301 4.341 1.00 0.00 C ATOM 693 OG1 THR A 45 10.019 -20.747 5.528 1.00 0.00 O ATOM 694 CG2 THR A 45 10.140 -20.744 3.116 1.00 0.00 C ATOM 0 H THR A 45 11.032 -18.322 5.283 1.00 0.00 H new ATOM 0 HA THR A 45 8.731 -18.440 3.440 1.00 0.00 H new ATOM 0 HB THR A 45 8.359 -20.744 4.294 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.112 -21.722 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.236 -21.830 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.616 -20.428 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.132 -20.292 3.137 1.00 0.00 H new ATOM 702 N ASP A 46 8.418 -17.124 5.969 1.00 0.00 N ATOM 703 CA ASP A 46 7.624 -16.626 7.086 1.00 0.00 C ATOM 704 C ASP A 46 7.314 -15.142 6.913 1.00 0.00 C ATOM 705 O ASP A 46 8.155 -14.353 6.480 1.00 0.00 O ATOM 706 CB ASP A 46 8.362 -16.854 8.406 1.00 0.00 C ATOM 707 CG ASP A 46 8.035 -18.198 9.027 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.685 -19.198 8.655 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.130 -18.250 9.885 1.00 0.00 O ATOM 0 H ASP A 46 9.045 -16.433 5.556 1.00 0.00 H new ATOM 0 HA ASP A 46 6.683 -17.176 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.436 -16.788 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.102 -16.060 9.106 1.00 0.00 H new ATOM 714 N PRO A 47 6.078 -14.751 7.256 1.00 0.00 N ATOM 715 CA PRO A 47 5.628 -13.361 7.147 1.00 0.00 C ATOM 716 C PRO A 47 6.305 -12.450 8.166 1.00 0.00 C ATOM 717 O PRO A 47 6.104 -11.236 8.158 1.00 0.00 O ATOM 718 CB PRO A 47 4.126 -13.451 7.425 1.00 0.00 C ATOM 719 CG PRO A 47 3.967 -14.679 8.252 1.00 0.00 C ATOM 720 CD PRO A 47 5.024 -15.637 7.779 1.00 0.00 C ATOM 0 HA PRO A 47 5.870 -12.930 6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.768 -12.568 7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.555 -13.521 6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.090 -14.454 9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.971 -15.105 8.130 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.392 -16.263 8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.643 -16.307 7.008 1.00 0.00 H new ATOM 728 N SER A 48 7.108 -13.045 9.042 1.00 0.00 N ATOM 729 CA SER A 48 7.812 -12.288 10.071 1.00 0.00 C ATOM 730 C SER A 48 9.259 -12.031 9.661 1.00 0.00 C ATOM 731 O SER A 48 9.787 -10.935 9.853 1.00 0.00 O ATOM 732 CB SER A 48 7.773 -13.038 11.403 1.00 0.00 C ATOM 733 OG SER A 48 8.396 -12.287 12.430 1.00 0.00 O ATOM 0 H SER A 48 7.287 -14.049 9.060 1.00 0.00 H new ATOM 0 HA SER A 48 7.309 -11.328 10.189 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.739 -13.246 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.274 -14.000 11.297 1.00 0.00 H new ATOM 0 HG SER A 48 8.356 -12.788 13.271 1.00 0.00 H new ATOM 739 N THR A 49 9.897 -13.052 9.096 1.00 0.00 N ATOM 740 CA THR A 49 11.284 -12.939 8.660 1.00 0.00 C ATOM 741 C THR A 49 11.453 -11.808 7.652 1.00 0.00 C ATOM 742 O THR A 49 12.424 -11.053 7.707 1.00 0.00 O ATOM 743 CB THR A 49 11.783 -14.253 8.029 1.00 0.00 C ATOM 744 OG1 THR A 49 10.991 -14.576 6.880 1.00 0.00 O ATOM 745 CG2 THR A 49 11.718 -15.394 9.033 1.00 0.00 C ATOM 0 H THR A 49 9.476 -13.966 8.930 1.00 0.00 H new ATOM 0 HA THR A 49 11.878 -12.722 9.548 1.00 0.00 H new ATOM 0 HB THR A 49 12.821 -14.114 7.727 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.040 -14.507 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.075 -16.311 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.344 -15.158 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.688 -15.532 9.361 1.00 0.00 H new ATOM 753 N LEU A 50 10.502 -11.696 6.731 1.00 0.00 N ATOM 754 CA LEU A 50 10.545 -10.655 5.709 1.00 0.00 C ATOM 755 C LEU A 50 10.523 -9.268 6.343 1.00 0.00 C ATOM 756 O LEU A 50 9.564 -8.899 7.022 1.00 0.00 O ATOM 757 CB LEU A 50 9.366 -10.808 4.747 1.00 0.00 C ATOM 758 CG LEU A 50 9.609 -11.688 3.521 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.368 -13.152 3.858 1.00 0.00 C ATOM 760 CD2 LEU A 50 8.719 -11.252 2.366 1.00 0.00 C ATOM 0 H LEU A 50 9.692 -12.313 6.671 1.00 0.00 H new ATOM 0 HA LEU A 50 11.476 -10.765 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.522 -11.217 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.072 -9.816 4.405 1.00 0.00 H new ATOM 0 HG LEU A 50 10.649 -11.573 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.546 -13.763 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.047 -13.459 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.338 -13.284 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.906 -11.890 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.673 -11.337 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.940 -10.216 2.107 1.00 0.00 H new ATOM 772 N THR A 51 11.585 -8.502 6.116 1.00 0.00 N ATOM 773 CA THR A 51 11.688 -7.155 6.664 1.00 0.00 C ATOM 774 C THR A 51 11.259 -6.111 5.639 1.00 0.00 C ATOM 775 O THR A 51 11.194 -6.392 4.443 1.00 0.00 O ATOM 776 CB THR A 51 13.124 -6.845 7.127 1.00 0.00 C ATOM 777 OG1 THR A 51 14.000 -6.781 5.996 1.00 0.00 O ATOM 778 CG2 THR A 51 13.619 -7.903 8.100 1.00 0.00 C ATOM 0 H THR A 51 12.387 -8.792 5.556 1.00 0.00 H new ATOM 0 HA THR A 51 11.020 -7.111 7.524 1.00 0.00 H new ATOM 0 HB THR A 51 13.118 -5.881 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 51 14.911 -6.582 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.635 -7.663 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.967 -7.928 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 51 13.611 -8.878 7.613 1.00 0.00 H new ATOM 786 N GLU A 52 10.968 -4.905 6.117 1.00 0.00 N ATOM 787 CA GLU A 52 10.545 -3.819 5.241 1.00 0.00 C ATOM 788 C GLU A 52 11.248 -3.905 3.889 1.00 0.00 C ATOM 789 O GLU A 52 10.619 -3.765 2.841 1.00 0.00 O ATOM 790 CB GLU A 52 10.834 -2.465 5.893 1.00 0.00 C ATOM 791 CG GLU A 52 9.852 -2.098 6.993 1.00 0.00 C ATOM 792 CD GLU A 52 10.032 -0.675 7.485 1.00 0.00 C ATOM 793 OE1 GLU A 52 11.145 -0.342 7.943 1.00 0.00 O ATOM 794 OE2 GLU A 52 9.060 0.105 7.412 1.00 0.00 O ATOM 0 H GLU A 52 11.017 -4.656 7.105 1.00 0.00 H new ATOM 0 HA GLU A 52 9.471 -3.914 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.842 -2.478 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.814 -1.690 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.834 -2.225 6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.975 -2.786 7.829 1.00 0.00 H new ATOM 801 N GLU A 53 12.557 -4.135 3.924 1.00 0.00 N ATOM 802 CA GLU A 53 13.347 -4.238 2.702 1.00 0.00 C ATOM 803 C GLU A 53 12.852 -5.388 1.830 1.00 0.00 C ATOM 804 O GLU A 53 12.558 -5.203 0.650 1.00 0.00 O ATOM 805 CB GLU A 53 14.825 -4.438 3.039 1.00 0.00 C ATOM 806 CG GLU A 53 15.707 -4.636 1.817 1.00 0.00 C ATOM 807 CD GLU A 53 16.216 -3.326 1.247 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.062 -2.682 1.902 1.00 0.00 O ATOM 809 OE2 GLU A 53 15.768 -2.946 0.145 1.00 0.00 O ATOM 0 H GLU A 53 13.092 -4.253 4.784 1.00 0.00 H new ATOM 0 HA GLU A 53 13.232 -3.308 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.182 -3.573 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.926 -5.304 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.556 -5.266 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.144 -5.168 1.050 1.00 0.00 H new ATOM 816 N GLU A 54 12.764 -6.576 2.421 1.00 0.00 N ATOM 817 CA GLU A 54 12.307 -7.756 1.698 1.00 0.00 C ATOM 818 C GLU A 54 10.884 -7.562 1.183 1.00 0.00 C ATOM 819 O GLU A 54 10.543 -8.003 0.085 1.00 0.00 O ATOM 820 CB GLU A 54 12.370 -8.991 2.601 1.00 0.00 C ATOM 821 CG GLU A 54 13.775 -9.336 3.062 1.00 0.00 C ATOM 822 CD GLU A 54 14.790 -9.276 1.937 1.00 0.00 C ATOM 823 OE1 GLU A 54 15.097 -8.158 1.473 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.278 -10.348 1.521 1.00 0.00 O ATOM 0 H GLU A 54 13.003 -6.746 3.398 1.00 0.00 H new ATOM 0 HA GLU A 54 12.967 -7.905 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.741 -8.824 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.953 -9.844 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.073 -8.647 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.776 -10.337 3.494 1.00 0.00 H new ATOM 831 N VAL A 55 10.056 -6.897 1.984 1.00 0.00 N ATOM 832 CA VAL A 55 8.670 -6.643 1.610 1.00 0.00 C ATOM 833 C VAL A 55 8.589 -5.724 0.396 1.00 0.00 C ATOM 834 O VAL A 55 8.065 -6.106 -0.651 1.00 0.00 O ATOM 835 CB VAL A 55 7.882 -6.011 2.772 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.448 -5.725 2.352 1.00 0.00 C ATOM 837 CG2 VAL A 55 7.918 -6.917 3.994 1.00 0.00 C ATOM 0 H VAL A 55 10.322 -6.525 2.896 1.00 0.00 H new ATOM 0 HA VAL A 55 8.226 -7.608 1.363 1.00 0.00 H new ATOM 0 HB VAL A 55 8.353 -5.064 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.907 -5.279 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.447 -5.035 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.962 -6.656 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.356 -6.455 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.472 -7.880 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.952 -7.066 4.306 1.00 0.00 H new ATOM 847 N ARG A 56 9.110 -4.510 0.544 1.00 0.00 N ATOM 848 CA ARG A 56 9.095 -3.535 -0.540 1.00 0.00 C ATOM 849 C ARG A 56 9.531 -4.177 -1.854 1.00 0.00 C ATOM 850 O ARG A 56 9.005 -3.855 -2.920 1.00 0.00 O ATOM 851 CB ARG A 56 10.012 -2.357 -0.208 1.00 0.00 C ATOM 852 CG ARG A 56 11.474 -2.746 -0.059 1.00 0.00 C ATOM 853 CD ARG A 56 12.384 -1.529 -0.132 1.00 0.00 C ATOM 854 NE ARG A 56 12.582 -0.915 1.178 1.00 0.00 N ATOM 855 CZ ARG A 56 13.483 0.031 1.417 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.265 0.469 0.440 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.603 0.542 2.636 1.00 0.00 N ATOM 0 H ARG A 56 9.548 -4.178 1.404 1.00 0.00 H new ATOM 0 HA ARG A 56 8.074 -3.171 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.923 -1.606 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.672 -1.893 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.621 -3.255 0.893 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.746 -3.452 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.349 -1.822 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.955 -0.796 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 56 11.996 -1.230 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.176 0.079 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.956 1.196 0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.003 0.208 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.295 1.268 2.819 1.00 0.00 H new ATOM 871 N LYS A 57 10.496 -5.087 -1.771 1.00 0.00 N ATOM 872 CA LYS A 57 11.002 -5.775 -2.953 1.00 0.00 C ATOM 873 C LYS A 57 9.993 -6.800 -3.460 1.00 0.00 C ATOM 874 O LYS A 57 9.842 -6.993 -4.666 1.00 0.00 O ATOM 875 CB LYS A 57 12.331 -6.465 -2.635 1.00 0.00 C ATOM 876 CG LYS A 57 13.542 -5.567 -2.818 1.00 0.00 C ATOM 877 CD LYS A 57 14.784 -6.370 -3.168 1.00 0.00 C ATOM 878 CE LYS A 57 15.296 -7.154 -1.969 1.00 0.00 C ATOM 879 NZ LYS A 57 14.483 -8.377 -1.718 1.00 0.00 N ATOM 0 H LYS A 57 10.943 -5.365 -0.897 1.00 0.00 H new ATOM 0 HA LYS A 57 11.162 -5.033 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.307 -6.824 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.438 -7.341 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.342 -4.842 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.719 -5.002 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.557 -7.057 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.564 -5.698 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.335 -7.437 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 57 15.278 -6.518 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.105 -9.148 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.776 -8.179 -0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.000 -8.659 -2.595 1.00 0.00 H new ATOM 893 N PHE A 58 9.304 -7.455 -2.531 1.00 0.00 N ATOM 894 CA PHE A 58 8.308 -8.460 -2.885 1.00 0.00 C ATOM 895 C PHE A 58 7.136 -7.826 -3.629 1.00 0.00 C ATOM 896 O PHE A 58 6.750 -8.283 -4.704 1.00 0.00 O ATOM 897 CB PHE A 58 7.804 -9.173 -1.628 1.00 0.00 C ATOM 898 CG PHE A 58 6.629 -10.073 -1.881 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.748 -11.172 -2.717 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.405 -9.822 -1.283 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.669 -12.003 -2.952 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.322 -10.649 -1.513 1.00 0.00 C ATOM 903 CZ PHE A 58 4.454 -11.741 -2.349 1.00 0.00 C ATOM 0 H PHE A 58 9.417 -7.308 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 58 8.781 -9.189 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.617 -9.761 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.527 -8.427 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.696 -11.382 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.296 -8.970 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.775 -12.856 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.374 -10.442 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.609 -12.389 -2.531 1.00 0.00 H new ATOM 913 N ALA A 59 6.574 -6.772 -3.047 1.00 0.00 N ATOM 914 CA ALA A 59 5.447 -6.074 -3.655 1.00 0.00 C ATOM 915 C ALA A 59 5.800 -5.573 -5.051 1.00 0.00 C ATOM 916 O ALA A 59 5.024 -5.734 -5.993 1.00 0.00 O ATOM 917 CB ALA A 59 5.005 -4.916 -2.772 1.00 0.00 C ATOM 0 H ALA A 59 6.880 -6.382 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 59 4.622 -6.780 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.163 -4.404 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.703 -5.297 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.832 -4.217 -2.648 1.00 0.00 H new ATOM 923 N ARG A 60 6.975 -4.965 -5.177 1.00 0.00 N ATOM 924 CA ARG A 60 7.430 -4.439 -6.458 1.00 0.00 C ATOM 925 C ARG A 60 6.993 -5.346 -7.604 1.00 0.00 C ATOM 926 O ARG A 60 6.449 -4.880 -8.607 1.00 0.00 O ATOM 927 CB ARG A 60 8.953 -4.292 -6.462 1.00 0.00 C ATOM 928 CG ARG A 60 9.448 -3.066 -5.712 1.00 0.00 C ATOM 929 CD ARG A 60 9.487 -1.841 -6.611 1.00 0.00 C ATOM 930 NE ARG A 60 10.614 -1.880 -7.540 1.00 0.00 N ATOM 931 CZ ARG A 60 10.926 -0.881 -8.358 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.201 0.229 -8.362 1.00 0.00 N ATOM 933 NH2 ARG A 60 11.967 -0.991 -9.175 1.00 0.00 N ATOM 0 H ARG A 60 7.629 -4.825 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 60 6.977 -3.458 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.397 -5.183 -6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.302 -4.242 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.797 -2.872 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.445 -3.259 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.556 -1.774 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.554 -0.943 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 60 11.193 -2.720 -7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.401 0.318 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.443 0.994 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.528 -1.843 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.206 -0.223 -9.803 1.00 0.00 H new ATOM 947 N LEU A 61 7.234 -6.643 -7.450 1.00 0.00 N ATOM 948 CA LEU A 61 6.866 -7.617 -8.473 1.00 0.00 C ATOM 949 C LEU A 61 5.527 -7.258 -9.109 1.00 0.00 C ATOM 950 O LEU A 61 5.406 -7.198 -10.331 1.00 0.00 O ATOM 951 CB LEU A 61 6.797 -9.020 -7.867 1.00 0.00 C ATOM 952 CG LEU A 61 8.123 -9.775 -7.769 1.00 0.00 C ATOM 953 CD1 LEU A 61 8.818 -9.464 -6.453 1.00 0.00 C ATOM 954 CD2 LEU A 61 7.896 -11.272 -7.914 1.00 0.00 C ATOM 0 H LEU A 61 7.683 -7.045 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 61 7.631 -7.601 -9.249 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.372 -8.941 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.105 -9.617 -8.461 1.00 0.00 H new ATOM 0 HG LEU A 61 8.768 -9.445 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.760 -10.010 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.015 -8.394 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.178 -9.765 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.850 -11.793 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.233 -11.618 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.442 -11.479 -8.883 1.00 0.00 H new ATOM 966 N ASN A 62 4.524 -7.020 -8.270 1.00 0.00 N ATOM 967 CA ASN A 62 3.193 -6.665 -8.750 1.00 0.00 C ATOM 968 C ASN A 62 2.804 -5.264 -8.289 1.00 0.00 C ATOM 969 O ASN A 62 2.514 -5.045 -7.113 1.00 0.00 O ATOM 970 CB ASN A 62 2.162 -7.682 -8.255 1.00 0.00 C ATOM 971 CG ASN A 62 0.794 -7.465 -8.872 1.00 0.00 C ATOM 972 OD1 ASN A 62 0.677 -7.168 -10.061 1.00 0.00 O ATOM 973 ND2 ASN A 62 -0.249 -7.611 -8.063 1.00 0.00 N ATOM 0 H ASN A 62 4.607 -7.066 -7.254 1.00 0.00 H new ATOM 0 HA ASN A 62 3.212 -6.677 -9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.508 -8.689 -8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.083 -7.616 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.195 -7.476 -8.421 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.104 -7.858 -7.084 1.00 0.00 H new ATOM 980 N ILE A 63 2.800 -4.320 -9.224 1.00 0.00 N ATOM 981 CA ILE A 63 2.445 -2.940 -8.914 1.00 0.00 C ATOM 982 C ILE A 63 1.015 -2.631 -9.345 1.00 0.00 C ATOM 983 O ILE A 63 0.766 -2.274 -10.497 1.00 0.00 O ATOM 984 CB ILE A 63 3.401 -1.946 -9.598 1.00 0.00 C ATOM 985 CG1 ILE A 63 4.838 -2.179 -9.125 1.00 0.00 C ATOM 986 CG2 ILE A 63 2.970 -0.515 -9.314 1.00 0.00 C ATOM 987 CD1 ILE A 63 5.877 -1.499 -9.990 1.00 0.00 C ATOM 0 H ILE A 63 3.038 -4.485 -10.202 1.00 0.00 H new ATOM 0 HA ILE A 63 2.529 -2.827 -7.833 1.00 0.00 H new ATOM 0 HB ILE A 63 3.362 -2.110 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.938 -1.819 -8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.037 -3.251 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.656 0.176 -9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.961 -0.356 -9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.984 -0.338 -8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.872 -1.707 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.805 -1.876 -11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.704 -0.423 -9.988 1.00 0.00 H new ATOM 999 N ASP A 64 0.079 -2.768 -8.412 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.326 -2.501 -8.694 1.00 0.00 C ATOM 1001 C ASP A 64 -1.510 -1.092 -9.250 1.00 0.00 C ATOM 1002 O ASP A 64 -0.808 -0.153 -8.874 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.165 -2.676 -7.426 1.00 0.00 C ATOM 1004 CG ASP A 64 -2.603 -4.112 -7.216 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -3.198 -4.692 -8.148 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -2.352 -4.654 -6.120 1.00 0.00 O ATOM 0 H ASP A 64 0.268 -3.062 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.663 -3.216 -9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.587 -2.345 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.045 -2.036 -7.485 1.00 0.00 H new ATOM 1011 N PRO A 65 -2.477 -0.939 -10.167 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.776 0.351 -10.795 1.00 0.00 C ATOM 1013 C PRO A 65 -3.410 1.338 -9.819 1.00 0.00 C ATOM 1014 O PRO A 65 -3.605 2.508 -10.145 1.00 0.00 O ATOM 1015 CB PRO A 65 -3.765 -0.014 -11.904 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.408 -1.275 -11.438 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.353 -2.014 -10.661 1.00 0.00 C ATOM 0 HA PRO A 65 -1.875 0.847 -11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.502 0.775 -12.052 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.256 -0.158 -12.857 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.276 -1.063 -10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.759 -1.869 -12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.786 -2.588 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.809 -2.718 -11.291 1.00 0.00 H new ATOM 1025 N ALA A 66 -3.728 0.857 -8.622 1.00 0.00 N ATOM 1026 CA ALA A 66 -4.337 1.697 -7.599 1.00 0.00 C ATOM 1027 C ALA A 66 -3.318 2.661 -7.001 1.00 0.00 C ATOM 1028 O ALA A 66 -3.681 3.632 -6.336 1.00 0.00 O ATOM 1029 CB ALA A 66 -4.955 0.836 -6.507 1.00 0.00 C ATOM 0 H ALA A 66 -3.574 -0.110 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.123 2.287 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.406 1.477 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.721 0.193 -6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.182 0.221 -6.047 1.00 0.00 H new ATOM 1035 N THR A 67 -2.039 2.387 -7.242 1.00 0.00 N ATOM 1036 CA THR A 67 -0.967 3.229 -6.726 1.00 0.00 C ATOM 1037 C THR A 67 -0.515 4.244 -7.769 1.00 0.00 C ATOM 1038 O THR A 67 0.495 4.925 -7.589 1.00 0.00 O ATOM 1039 CB THR A 67 0.246 2.387 -6.286 1.00 0.00 C ATOM 1040 OG1 THR A 67 0.559 1.417 -7.291 1.00 0.00 O ATOM 1041 CG2 THR A 67 -0.033 1.686 -4.966 1.00 0.00 C ATOM 0 H THR A 67 -1.721 1.589 -7.791 1.00 0.00 H new ATOM 0 HA THR A 67 -1.368 3.756 -5.860 1.00 0.00 H new ATOM 0 HB THR A 67 1.096 3.056 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.186 0.787 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.837 1.098 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.242 2.429 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.895 1.028 -5.078 1.00 0.00 H new ATOM 1049 N ILE A 68 -1.269 4.341 -8.859 1.00 0.00 N ATOM 1050 CA ILE A 68 -0.946 5.276 -9.930 1.00 0.00 C ATOM 1051 C ILE A 68 -1.831 6.516 -9.864 1.00 0.00 C ATOM 1052 O ILE A 68 -2.909 6.557 -10.458 1.00 0.00 O ATOM 1053 CB ILE A 68 -1.103 4.621 -11.315 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -0.290 3.327 -11.387 1.00 0.00 C ATOM 1055 CG2 ILE A 68 -0.671 5.585 -12.410 1.00 0.00 C ATOM 1056 CD1 ILE A 68 1.146 3.490 -10.941 1.00 0.00 C ATOM 0 H ILE A 68 -2.107 3.784 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 68 0.095 5.568 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.154 4.377 -11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.771 2.570 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.304 2.955 -12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.788 5.107 -13.383 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.289 6.482 -12.370 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.374 5.858 -12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.662 2.533 -11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.643 4.223 -11.576 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.169 3.832 -9.906 1.00 0.00 H new ATOM 1068 N THR A 69 -1.367 7.528 -9.137 1.00 0.00 N ATOM 1069 CA THR A 69 -2.115 8.771 -8.993 1.00 0.00 C ATOM 1070 C THR A 69 -1.266 9.973 -9.388 1.00 0.00 C ATOM 1071 O THR A 69 -1.534 11.099 -8.969 1.00 0.00 O ATOM 1072 CB THR A 69 -2.614 8.961 -7.548 1.00 0.00 C ATOM 1073 OG1 THR A 69 -3.550 10.044 -7.492 1.00 0.00 O ATOM 1074 CG2 THR A 69 -1.452 9.240 -6.606 1.00 0.00 C ATOM 0 H THR A 69 -0.477 7.511 -8.639 1.00 0.00 H new ATOM 0 HA THR A 69 -2.974 8.702 -9.661 1.00 0.00 H new ATOM 0 HB THR A 69 -3.104 8.040 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.214 10.795 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.829 9.371 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.756 8.402 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.938 10.148 -6.922 1.00 0.00 H new ATOM 1082 N TRP A 70 -0.241 9.727 -10.196 1.00 0.00 N ATOM 1083 CA TRP A 70 0.647 10.792 -10.649 1.00 0.00 C ATOM 1084 C TRP A 70 0.375 11.146 -12.106 1.00 0.00 C ATOM 1085 O TRP A 70 1.006 10.605 -13.014 1.00 0.00 O ATOM 1086 CB TRP A 70 2.108 10.371 -10.478 1.00 0.00 C ATOM 1087 CG TRP A 70 2.415 9.032 -11.077 1.00 0.00 C ATOM 1088 CD1 TRP A 70 2.253 7.813 -10.483 1.00 0.00 C ATOM 1089 CD2 TRP A 70 2.938 8.778 -12.385 1.00 0.00 C ATOM 1090 NE1 TRP A 70 2.644 6.816 -11.344 1.00 0.00 N ATOM 1091 CE2 TRP A 70 3.068 7.381 -12.517 1.00 0.00 C ATOM 1092 CE3 TRP A 70 3.309 9.593 -13.457 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 3.553 6.786 -13.679 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 3.790 9.001 -14.609 1.00 0.00 C ATOM 1095 CH2 TRP A 70 3.908 7.609 -14.713 1.00 0.00 C ATOM 0 H TRP A 70 -0.004 8.800 -10.551 1.00 0.00 H new ATOM 0 HA TRP A 70 0.455 11.675 -10.039 1.00 0.00 H new ATOM 0 HB2 TRP A 70 2.751 11.122 -10.937 1.00 0.00 H new ATOM 0 HB3 TRP A 70 2.350 10.350 -9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 70 1.874 7.656 -9.484 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.622 5.816 -11.142 1.00 0.00 H new ATOM 0 HE3 TRP A 70 3.221 10.667 -13.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 3.646 5.713 -13.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 4.080 9.622 -15.444 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.287 7.177 -15.627 1.00 0.00 H new ATOM 1106 N GLN A 71 -0.568 12.057 -12.323 1.00 0.00 N ATOM 1107 CA GLN A 71 -0.923 12.483 -13.672 1.00 0.00 C ATOM 1108 C GLN A 71 0.142 13.409 -14.249 1.00 0.00 C ATOM 1109 O GLN A 71 0.330 13.475 -15.464 1.00 0.00 O ATOM 1110 CB GLN A 71 -2.280 13.188 -13.666 1.00 0.00 C ATOM 1111 CG GLN A 71 -2.244 14.571 -13.035 1.00 0.00 C ATOM 1112 CD GLN A 71 -3.605 15.239 -13.016 1.00 0.00 C ATOM 1113 OE1 GLN A 71 -4.358 15.167 -13.987 1.00 0.00 O ATOM 1114 NE2 GLN A 71 -3.927 15.895 -11.907 1.00 0.00 N ATOM 0 H GLN A 71 -1.100 12.514 -11.582 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.985 11.595 -14.301 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.640 13.275 -14.691 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.999 12.570 -13.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.868 14.491 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.543 15.199 -13.585 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.272 15.929 -11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.830 16.365 -11.836 1.00 0.00 H new TER 1123 GLN A 71