USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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+ -137:sc= 0.00629 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 11 THR OG1 : rot 180:sc= 0.00957 USER MOD Single : A 15 SER OG : rot 89:sc= 0.606 USER MOD Single : A 19 MET CE :methyl -138:sc= -0.5 (180deg=-1.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -30:sc= 1.04 USER MOD Single : A 35 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -148:sc= -0.135 (180deg=-1.3) USER MOD Single : A 46 MET CE :methyl -140:sc= -0.292 (180deg=-1.02) USER MOD Single : A 48 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.818 -9.905 -11.285 1.00 0.00 N ATOM 2 CA GLY A 1 28.573 -8.623 -10.646 1.00 0.00 C ATOM 3 C GLY A 1 29.637 -8.326 -9.587 1.00 0.00 C ATOM 4 O GLY A 1 30.826 -8.537 -9.821 1.00 0.00 O ATOM 0 H1 GLY A 1 28.672 -9.815 -12.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.797 -10.204 -11.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.161 -10.615 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.572 -7.833 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.586 -8.626 -10.184 1.00 0.00 H new ATOM 8 N SER A 2 29.172 -7.841 -8.446 1.00 0.00 N ATOM 9 CA SER A 2 30.069 -7.513 -7.351 1.00 0.00 C ATOM 10 C SER A 2 29.269 -6.979 -6.161 1.00 0.00 C ATOM 11 O SER A 2 28.177 -6.439 -6.334 1.00 0.00 O ATOM 12 CB SER A 2 31.119 -6.489 -7.787 1.00 0.00 C ATOM 13 OG SER A 2 32.446 -6.956 -7.562 1.00 0.00 O ATOM 0 H SER A 2 28.185 -7.667 -8.256 1.00 0.00 H new ATOM 0 HA SER A 2 30.590 -8.422 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.988 -6.264 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.965 -5.558 -7.242 1.00 0.00 H new ATOM 0 HG SER A 2 33.087 -6.275 -7.855 1.00 0.00 H new ATOM 19 N SER A 3 29.843 -7.148 -4.979 1.00 0.00 N ATOM 20 CA SER A 3 29.197 -6.690 -3.761 1.00 0.00 C ATOM 21 C SER A 3 28.693 -5.257 -3.943 1.00 0.00 C ATOM 22 O SER A 3 29.486 -4.318 -4.001 1.00 0.00 O ATOM 23 CB SER A 3 30.152 -6.769 -2.568 1.00 0.00 C ATOM 24 OG SER A 3 30.421 -8.116 -2.188 1.00 0.00 O ATOM 0 H SER A 3 30.749 -7.596 -4.839 1.00 0.00 H new ATOM 0 HA SER A 3 28.349 -7.344 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.088 -6.269 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.721 -6.233 -1.722 1.00 0.00 H new ATOM 0 HG SER A 3 31.035 -8.124 -1.425 1.00 0.00 H new ATOM 30 N GLY A 4 27.376 -5.133 -4.028 1.00 0.00 N ATOM 31 CA GLY A 4 26.757 -3.830 -4.202 1.00 0.00 C ATOM 32 C GLY A 4 26.191 -3.677 -5.615 1.00 0.00 C ATOM 33 O GLY A 4 26.660 -2.844 -6.389 1.00 0.00 O ATOM 0 H GLY A 4 26.721 -5.913 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.959 -3.702 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.491 -3.047 -4.013 1.00 0.00 H new ATOM 37 N SER A 5 25.190 -4.494 -5.909 1.00 0.00 N ATOM 38 CA SER A 5 24.554 -4.460 -7.215 1.00 0.00 C ATOM 39 C SER A 5 23.284 -3.609 -7.157 1.00 0.00 C ATOM 40 O SER A 5 22.576 -3.613 -6.151 1.00 0.00 O ATOM 41 CB SER A 5 24.226 -5.872 -7.704 1.00 0.00 C ATOM 42 OG SER A 5 24.766 -6.127 -8.998 1.00 0.00 O ATOM 0 H SER A 5 24.804 -5.184 -5.265 1.00 0.00 H new ATOM 0 HA SER A 5 25.251 -4.012 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.620 -6.602 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.144 -6.005 -7.730 1.00 0.00 H new ATOM 0 HG SER A 5 24.537 -7.039 -9.274 1.00 0.00 H new ATOM 48 N SER A 6 23.034 -2.900 -8.248 1.00 0.00 N ATOM 49 CA SER A 6 21.862 -2.047 -8.334 1.00 0.00 C ATOM 50 C SER A 6 21.773 -1.153 -7.095 1.00 0.00 C ATOM 51 O SER A 6 20.981 -1.415 -6.191 1.00 0.00 O ATOM 52 CB SER A 6 20.585 -2.877 -8.481 1.00 0.00 C ATOM 53 OG SER A 6 20.640 -3.745 -9.610 1.00 0.00 O ATOM 0 H SER A 6 23.624 -2.899 -9.080 1.00 0.00 H new ATOM 0 HA SER A 6 21.960 -1.421 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.430 -3.467 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.728 -2.210 -8.578 1.00 0.00 H new ATOM 0 HG SER A 6 19.808 -4.259 -9.668 1.00 0.00 H new ATOM 59 N GLY A 7 22.598 -0.116 -7.093 1.00 0.00 N ATOM 60 CA GLY A 7 22.622 0.818 -5.980 1.00 0.00 C ATOM 61 C GLY A 7 22.437 0.089 -4.648 1.00 0.00 C ATOM 62 O GLY A 7 21.354 0.116 -4.067 1.00 0.00 O ATOM 0 H GLY A 7 23.254 0.098 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.569 1.358 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.833 1.559 -6.106 1.00 0.00 H new ATOM 66 N ALA A 8 23.512 -0.545 -4.203 1.00 0.00 N ATOM 67 CA ALA A 8 23.482 -1.281 -2.950 1.00 0.00 C ATOM 68 C ALA A 8 22.308 -2.262 -2.968 1.00 0.00 C ATOM 69 O ALA A 8 21.523 -2.279 -3.915 1.00 0.00 O ATOM 70 CB ALA A 8 23.401 -0.296 -1.782 1.00 0.00 C ATOM 0 H ALA A 8 24.409 -0.564 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 8 24.395 -1.862 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 8 23.378 -0.847 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 8 24.272 0.359 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 8 22.495 0.303 -1.873 1.00 0.00 H new ATOM 76 N GLU A 9 22.225 -3.055 -1.910 1.00 0.00 N ATOM 77 CA GLU A 9 21.161 -4.037 -1.792 1.00 0.00 C ATOM 78 C GLU A 9 20.824 -4.280 -0.319 1.00 0.00 C ATOM 79 O GLU A 9 21.478 -5.081 0.347 1.00 0.00 O ATOM 80 CB GLU A 9 21.540 -5.344 -2.491 1.00 0.00 C ATOM 81 CG GLU A 9 20.680 -5.569 -3.736 1.00 0.00 C ATOM 82 CD GLU A 9 21.495 -6.221 -4.855 1.00 0.00 C ATOM 83 OE1 GLU A 9 22.668 -5.818 -5.011 1.00 0.00 O ATOM 84 OE2 GLU A 9 20.927 -7.109 -5.527 1.00 0.00 O ATOM 0 H GLU A 9 22.878 -3.037 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 9 20.274 -3.643 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 9 22.593 -5.318 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 9 21.414 -6.179 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.829 -6.202 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.278 -4.617 -4.082 1.00 0.00 H new ATOM 91 N LEU A 10 19.804 -3.574 0.146 1.00 0.00 N ATOM 92 CA LEU A 10 19.372 -3.703 1.527 1.00 0.00 C ATOM 93 C LEU A 10 18.561 -4.991 1.685 1.00 0.00 C ATOM 94 O LEU A 10 18.978 -5.908 2.392 1.00 0.00 O ATOM 95 CB LEU A 10 18.623 -2.446 1.975 1.00 0.00 C ATOM 96 CG LEU A 10 19.465 -1.175 2.107 1.00 0.00 C ATOM 97 CD1 LEU A 10 19.725 -0.545 0.738 1.00 0.00 C ATOM 98 CD2 LEU A 10 18.817 -0.188 3.080 1.00 0.00 C ATOM 0 H LEU A 10 19.264 -2.910 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 10 20.234 -3.785 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.819 -2.253 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.155 -2.650 2.938 1.00 0.00 H new ATOM 0 HG LEU A 10 20.434 -1.448 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.325 0.356 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.260 -1.254 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.775 -0.287 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.435 0.707 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 10 17.827 0.085 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.727 -0.651 4.062 1.00 0.00 H new ATOM 110 N THR A 11 17.418 -5.019 1.016 1.00 0.00 N ATOM 111 CA THR A 11 16.545 -6.179 1.074 1.00 0.00 C ATOM 112 C THR A 11 15.679 -6.258 -0.185 1.00 0.00 C ATOM 113 O THR A 11 15.806 -5.427 -1.083 1.00 0.00 O ATOM 114 CB THR A 11 15.732 -6.095 2.366 1.00 0.00 C ATOM 115 OG1 THR A 11 15.132 -4.804 2.316 1.00 0.00 O ATOM 116 CG2 THR A 11 16.617 -6.046 3.613 1.00 0.00 C ATOM 0 H THR A 11 17.076 -4.257 0.431 1.00 0.00 H new ATOM 0 HA THR A 11 17.119 -7.105 1.094 1.00 0.00 H new ATOM 0 HB THR A 11 15.063 -6.953 2.429 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.584 -4.667 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.990 -5.987 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.229 -6.946 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.263 -5.170 3.566 1.00 0.00 H new ATOM 124 N ALA A 12 14.818 -7.264 -0.210 1.00 0.00 N ATOM 125 CA ALA A 12 13.931 -7.462 -1.344 1.00 0.00 C ATOM 126 C ALA A 12 12.901 -6.332 -1.383 1.00 0.00 C ATOM 127 O ALA A 12 12.442 -5.942 -2.456 1.00 0.00 O ATOM 128 CB ALA A 12 13.280 -8.843 -1.248 1.00 0.00 C ATOM 0 H ALA A 12 14.715 -7.951 0.537 1.00 0.00 H new ATOM 0 HA ALA A 12 14.490 -7.430 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.615 -8.992 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.053 -9.611 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.707 -8.912 -0.323 1.00 0.00 H new ATOM 134 N LEU A 13 12.566 -5.838 -0.200 1.00 0.00 N ATOM 135 CA LEU A 13 11.598 -4.761 -0.086 1.00 0.00 C ATOM 136 C LEU A 13 12.253 -3.445 -0.511 1.00 0.00 C ATOM 137 O LEU A 13 11.854 -2.842 -1.506 1.00 0.00 O ATOM 138 CB LEU A 13 11.001 -4.724 1.323 1.00 0.00 C ATOM 139 CG LEU A 13 9.479 -4.597 1.403 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.967 -3.523 0.440 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.802 -5.948 1.166 1.00 0.00 C ATOM 0 H LEU A 13 12.948 -6.164 0.688 1.00 0.00 H new ATOM 0 HA LEU A 13 10.758 -4.931 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.298 -5.633 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.444 -3.887 1.862 1.00 0.00 H new ATOM 0 HG LEU A 13 9.216 -4.278 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.882 -3.453 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.412 -2.562 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.242 -3.788 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.720 -5.829 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.070 -6.321 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.133 -6.659 1.923 1.00 0.00 H new ATOM 153 N GLU A 14 13.248 -3.039 0.264 1.00 0.00 N ATOM 154 CA GLU A 14 13.962 -1.806 -0.020 1.00 0.00 C ATOM 155 C GLU A 14 14.325 -1.732 -1.504 1.00 0.00 C ATOM 156 O GLU A 14 14.049 -0.732 -2.165 1.00 0.00 O ATOM 157 CB GLU A 14 15.210 -1.681 0.856 1.00 0.00 C ATOM 158 CG GLU A 14 14.836 -1.309 2.293 1.00 0.00 C ATOM 159 CD GLU A 14 14.586 0.194 2.423 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.576 0.915 2.674 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.410 0.589 2.268 1.00 0.00 O ATOM 0 H GLU A 14 13.576 -3.542 1.088 1.00 0.00 H new ATOM 0 HA GLU A 14 13.307 -0.968 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.758 -2.623 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 14 15.875 -0.923 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.943 -1.857 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.636 -1.608 2.970 1.00 0.00 H new ATOM 168 N SER A 15 14.937 -2.804 -1.985 1.00 0.00 N ATOM 169 CA SER A 15 15.341 -2.873 -3.379 1.00 0.00 C ATOM 170 C SER A 15 14.220 -2.343 -4.275 1.00 0.00 C ATOM 171 O SER A 15 14.417 -1.385 -5.021 1.00 0.00 O ATOM 172 CB SER A 15 15.705 -4.305 -3.777 1.00 0.00 C ATOM 173 OG SER A 15 17.049 -4.629 -3.433 1.00 0.00 O ATOM 0 H SER A 15 15.163 -3.632 -1.434 1.00 0.00 H new ATOM 0 HA SER A 15 16.227 -2.252 -3.509 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.027 -5.002 -3.285 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.565 -4.429 -4.851 1.00 0.00 H new ATOM 0 HG SER A 15 17.076 -4.988 -2.522 1.00 0.00 H new ATOM 179 N LEU A 16 13.067 -2.989 -4.172 1.00 0.00 N ATOM 180 CA LEU A 16 11.915 -2.594 -4.964 1.00 0.00 C ATOM 181 C LEU A 16 11.702 -1.085 -4.830 1.00 0.00 C ATOM 182 O LEU A 16 11.647 -0.371 -5.830 1.00 0.00 O ATOM 183 CB LEU A 16 10.689 -3.424 -4.577 1.00 0.00 C ATOM 184 CG LEU A 16 10.717 -4.896 -4.996 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.319 -5.513 -4.920 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.341 -5.060 -6.383 1.00 0.00 C ATOM 0 H LEU A 16 12.907 -3.783 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 16 12.091 -2.799 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.570 -3.377 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.806 -2.958 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 16 11.348 -5.440 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.366 -6.559 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.947 -5.447 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.646 -4.973 -5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.348 -6.115 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.757 -4.500 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.363 -4.682 -6.369 1.00 0.00 H new ATOM 198 N ILE A 17 11.590 -0.643 -3.586 1.00 0.00 N ATOM 199 CA ILE A 17 11.384 0.768 -3.308 1.00 0.00 C ATOM 200 C ILE A 17 12.419 1.591 -4.079 1.00 0.00 C ATOM 201 O ILE A 17 12.097 2.644 -4.626 1.00 0.00 O ATOM 202 CB ILE A 17 11.395 1.025 -1.800 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.281 0.240 -1.103 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.316 2.522 -1.498 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.536 0.147 0.403 1.00 0.00 C ATOM 0 H ILE A 17 11.638 -1.238 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 17 10.400 1.085 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 17 12.343 0.666 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.322 0.725 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.217 -0.762 -1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.325 2.677 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.171 3.029 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.395 2.929 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.730 -0.415 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.485 -0.360 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.575 1.150 0.828 1.00 0.00 H new ATOM 217 N GLU A 18 13.641 1.078 -4.098 1.00 0.00 N ATOM 218 CA GLU A 18 14.724 1.752 -4.792 1.00 0.00 C ATOM 219 C GLU A 18 14.286 2.146 -6.204 1.00 0.00 C ATOM 220 O GLU A 18 14.548 3.262 -6.651 1.00 0.00 O ATOM 221 CB GLU A 18 15.979 0.877 -4.831 1.00 0.00 C ATOM 222 CG GLU A 18 17.220 1.679 -4.434 1.00 0.00 C ATOM 223 CD GLU A 18 18.196 1.796 -5.606 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.334 0.788 -6.332 1.00 0.00 O ATOM 225 OE2 GLU A 18 18.781 2.891 -5.750 1.00 0.00 O ATOM 0 H GLU A 18 13.904 0.204 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 18 14.971 2.660 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.857 0.030 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.111 0.469 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.923 2.674 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.715 1.197 -3.591 1.00 0.00 H new ATOM 232 N MET A 19 13.627 1.208 -6.868 1.00 0.00 N ATOM 233 CA MET A 19 13.150 1.443 -8.220 1.00 0.00 C ATOM 234 C MET A 19 12.187 2.631 -8.263 1.00 0.00 C ATOM 235 O MET A 19 12.016 3.258 -9.307 1.00 0.00 O ATOM 236 CB MET A 19 12.438 0.190 -8.735 1.00 0.00 C ATOM 237 CG MET A 19 13.433 -0.949 -8.970 1.00 0.00 C ATOM 238 SD MET A 19 12.648 -2.520 -8.652 1.00 0.00 S ATOM 239 CE MET A 19 14.071 -3.486 -8.174 1.00 0.00 C ATOM 0 H MET A 19 13.412 0.283 -6.495 1.00 0.00 H new ATOM 0 HA MET A 19 14.007 1.671 -8.853 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.683 -0.125 -8.015 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.917 0.420 -9.664 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.799 -0.917 -9.996 1.00 0.00 H new ATOM 0 HG3 MET A 19 14.299 -0.827 -8.319 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.010 -4.474 -8.631 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.980 -2.986 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.093 -3.588 -7.089 1.00 0.00 H new ATOM 249 N GLY A 20 11.584 2.905 -7.116 1.00 0.00 N ATOM 250 CA GLY A 20 10.643 4.007 -7.010 1.00 0.00 C ATOM 251 C GLY A 20 9.231 3.496 -6.719 1.00 0.00 C ATOM 252 O GLY A 20 8.247 4.150 -7.063 1.00 0.00 O ATOM 0 H GLY A 20 11.729 2.383 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.959 4.685 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.642 4.580 -7.937 1.00 0.00 H new ATOM 256 N PHE A 21 9.175 2.332 -6.088 1.00 0.00 N ATOM 257 CA PHE A 21 7.899 1.726 -5.747 1.00 0.00 C ATOM 258 C PHE A 21 7.505 2.053 -4.306 1.00 0.00 C ATOM 259 O PHE A 21 8.367 2.266 -3.455 1.00 0.00 O ATOM 260 CB PHE A 21 8.072 0.212 -5.885 1.00 0.00 C ATOM 261 CG PHE A 21 7.972 -0.297 -7.325 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.841 -0.078 -8.047 1.00 0.00 C ATOM 263 CD2 PHE A 21 9.016 -0.968 -7.883 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.748 -0.550 -9.383 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.923 -1.440 -9.219 1.00 0.00 C ATOM 266 CZ PHE A 21 7.792 -1.221 -9.940 1.00 0.00 C ATOM 0 H PHE A 21 9.993 1.793 -5.804 1.00 0.00 H new ATOM 0 HA PHE A 21 7.118 2.108 -6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.042 -0.071 -5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.314 -0.287 -5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.013 0.455 -7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.915 -1.141 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.849 -0.376 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.751 -1.973 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.722 -1.580 -10.956 1.00 0.00 H new ATOM 276 N PRO A 22 6.166 2.083 -4.069 1.00 0.00 N ATOM 277 CA PRO A 22 5.646 2.380 -2.745 1.00 0.00 C ATOM 278 C PRO A 22 5.820 1.184 -1.806 1.00 0.00 C ATOM 279 O PRO A 22 5.572 0.044 -2.195 1.00 0.00 O ATOM 280 CB PRO A 22 4.190 2.753 -2.968 1.00 0.00 C ATOM 281 CG PRO A 22 3.824 2.204 -4.338 1.00 0.00 C ATOM 282 CD PRO A 22 5.115 1.836 -5.052 1.00 0.00 C ATOM 0 HA PRO A 22 6.181 3.194 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.554 2.325 -2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.054 3.834 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.180 1.330 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.269 2.947 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.108 0.794 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.259 2.442 -5.947 1.00 0.00 H new ATOM 290 N ARG A 23 6.246 1.486 -0.588 1.00 0.00 N ATOM 291 CA ARG A 23 6.456 0.450 0.409 1.00 0.00 C ATOM 292 C ARG A 23 5.239 -0.474 0.479 1.00 0.00 C ATOM 293 O ARG A 23 5.347 -1.671 0.218 1.00 0.00 O ATOM 294 CB ARG A 23 6.707 1.058 1.790 1.00 0.00 C ATOM 295 CG ARG A 23 7.460 0.078 2.692 1.00 0.00 C ATOM 296 CD ARG A 23 8.482 0.810 3.564 1.00 0.00 C ATOM 297 NE ARG A 23 9.769 0.078 3.558 1.00 0.00 N ATOM 298 CZ ARG A 23 10.013 -1.019 4.288 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.060 -1.518 5.086 1.00 0.00 N ATOM 300 NH2 ARG A 23 11.210 -1.616 4.219 1.00 0.00 N ATOM 0 H ARG A 23 6.451 2.433 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 23 7.334 -0.123 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.282 1.978 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.757 1.326 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.752 -0.456 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.967 -0.669 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.629 1.824 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.107 0.895 4.584 1.00 0.00 H new ATOM 0 HE ARG A 23 10.517 0.431 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.149 -1.063 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.246 -2.353 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 23 11.935 -1.236 3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.396 -2.451 4.774 1.00 0.00 H new ATOM 314 N GLY A 24 4.107 0.117 0.834 1.00 0.00 N ATOM 315 CA GLY A 24 2.870 -0.638 0.942 1.00 0.00 C ATOM 316 C GLY A 24 2.774 -1.693 -0.162 1.00 0.00 C ATOM 317 O GLY A 24 2.617 -2.880 0.122 1.00 0.00 O ATOM 0 H GLY A 24 4.021 1.110 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.819 -1.122 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.019 0.040 0.877 1.00 0.00 H new ATOM 321 N ARG A 25 2.872 -1.223 -1.396 1.00 0.00 N ATOM 322 CA ARG A 25 2.797 -2.111 -2.544 1.00 0.00 C ATOM 323 C ARG A 25 3.846 -3.219 -2.426 1.00 0.00 C ATOM 324 O ARG A 25 3.503 -4.386 -2.243 1.00 0.00 O ATOM 325 CB ARG A 25 3.020 -1.345 -3.849 1.00 0.00 C ATOM 326 CG ARG A 25 1.696 -0.823 -4.411 1.00 0.00 C ATOM 327 CD ARG A 25 1.789 -0.611 -5.924 1.00 0.00 C ATOM 328 NE ARG A 25 1.443 -1.863 -6.633 1.00 0.00 N ATOM 329 CZ ARG A 25 1.172 -1.935 -7.943 1.00 0.00 C ATOM 330 NH1 ARG A 25 1.206 -0.826 -8.695 1.00 0.00 N ATOM 331 NH2 ARG A 25 0.868 -3.114 -8.501 1.00 0.00 N ATOM 0 H ARG A 25 3.003 -0.238 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 25 1.799 -2.549 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.699 -0.511 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.498 -1.997 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.898 -1.531 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.435 0.116 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.114 0.188 -6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.797 -0.297 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 25 1.409 -2.726 -6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.438 0.072 -8.270 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.000 -0.880 -9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.843 -3.958 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.662 -3.168 -9.498 1.00 0.00 H new ATOM 345 N ALA A 26 5.103 -2.815 -2.534 1.00 0.00 N ATOM 346 CA ALA A 26 6.203 -3.759 -2.442 1.00 0.00 C ATOM 347 C ALA A 26 5.903 -4.780 -1.343 1.00 0.00 C ATOM 348 O ALA A 26 5.799 -5.975 -1.612 1.00 0.00 O ATOM 349 CB ALA A 26 7.508 -3.000 -2.192 1.00 0.00 C ATOM 0 H ALA A 26 5.384 -1.846 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 26 6.318 -4.306 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.333 -3.708 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.691 -2.309 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.431 -2.441 -1.260 1.00 0.00 H new ATOM 355 N GLU A 27 5.772 -4.271 -0.126 1.00 0.00 N ATOM 356 CA GLU A 27 5.486 -5.123 1.015 1.00 0.00 C ATOM 357 C GLU A 27 4.325 -6.067 0.695 1.00 0.00 C ATOM 358 O GLU A 27 4.435 -7.278 0.881 1.00 0.00 O ATOM 359 CB GLU A 27 5.186 -4.288 2.261 1.00 0.00 C ATOM 360 CG GLU A 27 6.461 -3.645 2.811 1.00 0.00 C ATOM 361 CD GLU A 27 6.802 -4.201 4.195 1.00 0.00 C ATOM 362 OE1 GLU A 27 6.299 -3.618 5.180 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.558 -5.195 4.237 1.00 0.00 O ATOM 0 H GLU A 27 5.859 -3.279 0.094 1.00 0.00 H new ATOM 0 HA GLU A 27 6.370 -5.725 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.460 -3.513 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.734 -4.919 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.290 -3.829 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.331 -2.564 2.871 1.00 0.00 H new ATOM 370 N LYS A 28 3.239 -5.477 0.217 1.00 0.00 N ATOM 371 CA LYS A 28 2.059 -6.250 -0.131 1.00 0.00 C ATOM 372 C LYS A 28 2.441 -7.324 -1.151 1.00 0.00 C ATOM 373 O LYS A 28 2.221 -8.512 -0.918 1.00 0.00 O ATOM 374 CB LYS A 28 0.933 -5.327 -0.602 1.00 0.00 C ATOM 375 CG LYS A 28 -0.171 -6.122 -1.301 1.00 0.00 C ATOM 376 CD LYS A 28 -1.329 -5.209 -1.710 1.00 0.00 C ATOM 377 CE LYS A 28 -2.669 -5.937 -1.595 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.792 -4.982 -1.728 1.00 0.00 N ATOM 0 H LYS A 28 3.152 -4.473 0.063 1.00 0.00 H new ATOM 0 HA LYS A 28 1.670 -6.767 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.516 -4.791 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.334 -4.577 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.235 -6.617 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.537 -6.904 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.338 -4.322 -1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.183 -4.868 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.741 -6.702 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.730 -6.448 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.694 -5.493 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.731 -4.267 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.741 -4.513 -2.655 1.00 0.00 H new ATOM 392 N ALA A 29 3.005 -6.868 -2.259 1.00 0.00 N ATOM 393 CA ALA A 29 3.420 -7.775 -3.316 1.00 0.00 C ATOM 394 C ALA A 29 4.349 -8.841 -2.731 1.00 0.00 C ATOM 395 O ALA A 29 4.034 -10.030 -2.765 1.00 0.00 O ATOM 396 CB ALA A 29 4.082 -6.979 -4.442 1.00 0.00 C ATOM 0 H ALA A 29 3.185 -5.882 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 29 2.558 -8.287 -3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.393 -7.660 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.372 -6.256 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.954 -6.453 -4.052 1.00 0.00 H new ATOM 402 N LEU A 30 5.475 -8.378 -2.210 1.00 0.00 N ATOM 403 CA LEU A 30 6.452 -9.276 -1.619 1.00 0.00 C ATOM 404 C LEU A 30 5.724 -10.373 -0.838 1.00 0.00 C ATOM 405 O LEU A 30 5.939 -11.559 -1.080 1.00 0.00 O ATOM 406 CB LEU A 30 7.463 -8.492 -0.780 1.00 0.00 C ATOM 407 CG LEU A 30 8.800 -8.184 -1.456 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.363 -9.427 -2.150 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.669 -7.001 -2.418 1.00 0.00 C ATOM 0 H LEU A 30 5.733 -7.391 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 30 7.034 -9.770 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.004 -7.550 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.661 -9.054 0.133 1.00 0.00 H new ATOM 0 HG LEU A 30 9.514 -7.894 -0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.314 -9.181 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.517 -10.216 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.659 -9.771 -2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.634 -6.803 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.935 -7.238 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.345 -6.118 -1.867 1.00 0.00 H new ATOM 421 N ALA A 31 4.877 -9.936 0.082 1.00 0.00 N ATOM 422 CA ALA A 31 4.115 -10.865 0.899 1.00 0.00 C ATOM 423 C ALA A 31 3.298 -11.785 -0.009 1.00 0.00 C ATOM 424 O ALA A 31 3.399 -13.007 0.086 1.00 0.00 O ATOM 425 CB ALA A 31 3.237 -10.083 1.879 1.00 0.00 C ATOM 0 H ALA A 31 4.702 -8.951 0.280 1.00 0.00 H new ATOM 0 HA ALA A 31 4.783 -11.493 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.666 -10.780 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.867 -9.468 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.552 -9.443 1.323 1.00 0.00 H new ATOM 431 N LEU A 32 2.506 -11.163 -0.870 1.00 0.00 N ATOM 432 CA LEU A 32 1.671 -11.911 -1.795 1.00 0.00 C ATOM 433 C LEU A 32 2.506 -13.011 -2.453 1.00 0.00 C ATOM 434 O LEU A 32 2.041 -14.138 -2.611 1.00 0.00 O ATOM 435 CB LEU A 32 1.000 -10.967 -2.794 1.00 0.00 C ATOM 436 CG LEU A 32 -0.288 -10.291 -2.318 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.368 -8.849 -2.822 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.517 -11.108 -2.719 1.00 0.00 C ATOM 0 H LEU A 32 2.425 -10.149 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 32 0.858 -12.403 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.715 -10.191 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.778 -11.529 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.271 -10.251 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.292 -8.391 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.484 -8.284 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.352 -8.843 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.418 -10.605 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.553 -11.202 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.457 -12.100 -2.270 1.00 0.00 H new ATOM 450 N THR A 33 3.726 -12.644 -2.819 1.00 0.00 N ATOM 451 CA THR A 33 4.630 -13.586 -3.457 1.00 0.00 C ATOM 452 C THR A 33 5.473 -14.312 -2.406 1.00 0.00 C ATOM 453 O THR A 33 6.628 -14.652 -2.658 1.00 0.00 O ATOM 454 CB THR A 33 5.467 -12.818 -4.482 1.00 0.00 C ATOM 455 OG1 THR A 33 6.456 -12.157 -3.697 1.00 0.00 O ATOM 456 CG2 THR A 33 4.687 -11.676 -5.137 1.00 0.00 C ATOM 0 H THR A 33 4.109 -11.708 -2.686 1.00 0.00 H new ATOM 0 HA THR A 33 4.081 -14.366 -3.983 1.00 0.00 H new ATOM 0 HB THR A 33 5.819 -13.505 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.091 -11.960 -2.809 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.327 -11.164 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.814 -12.079 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.364 -10.970 -4.372 1.00 0.00 H new ATOM 464 N GLY A 34 4.862 -14.527 -1.250 1.00 0.00 N ATOM 465 CA GLY A 34 5.541 -15.207 -0.160 1.00 0.00 C ATOM 466 C GLY A 34 7.018 -14.812 -0.104 1.00 0.00 C ATOM 467 O GLY A 34 7.885 -15.664 0.084 1.00 0.00 O ATOM 0 H GLY A 34 3.904 -14.242 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.058 -14.959 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.454 -16.286 -0.289 1.00 0.00 H new ATOM 471 N ASN A 35 7.259 -13.520 -0.270 1.00 0.00 N ATOM 472 CA ASN A 35 8.616 -13.002 -0.241 1.00 0.00 C ATOM 473 C ASN A 35 9.542 -13.966 -0.985 1.00 0.00 C ATOM 474 O ASN A 35 10.440 -14.556 -0.387 1.00 0.00 O ATOM 475 CB ASN A 35 9.125 -12.872 1.196 1.00 0.00 C ATOM 476 CG ASN A 35 8.104 -12.149 2.076 1.00 0.00 C ATOM 477 OD1 ASN A 35 7.291 -12.755 2.755 1.00 0.00 O ATOM 478 ND2 ASN A 35 8.191 -10.823 2.028 1.00 0.00 N ATOM 0 H ASN A 35 6.537 -12.816 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 35 8.612 -12.019 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.327 -13.862 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.068 -12.326 1.203 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.554 -10.250 2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.895 -10.379 1.438 1.00 0.00 H new ATOM 485 N GLN A 36 9.291 -14.097 -2.280 1.00 0.00 N ATOM 486 CA GLN A 36 10.090 -14.980 -3.112 1.00 0.00 C ATOM 487 C GLN A 36 11.350 -14.258 -3.594 1.00 0.00 C ATOM 488 O GLN A 36 12.437 -14.834 -3.600 1.00 0.00 O ATOM 489 CB GLN A 36 9.274 -15.507 -4.294 1.00 0.00 C ATOM 490 CG GLN A 36 8.482 -16.755 -3.900 1.00 0.00 C ATOM 491 CD GLN A 36 8.761 -17.909 -4.866 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.554 -18.797 -4.600 1.00 0.00 O ATOM 493 NE2 GLN A 36 8.067 -17.845 -5.998 1.00 0.00 N ATOM 0 H GLN A 36 8.545 -13.606 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 36 10.393 -15.838 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.590 -14.733 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.940 -15.742 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.747 -17.053 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.416 -16.528 -3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.419 -17.073 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.182 -18.568 -6.708 1.00 0.00 H new ATOM 502 N GLY A 37 11.163 -13.006 -3.986 1.00 0.00 N ATOM 503 CA GLY A 37 12.271 -12.199 -4.469 1.00 0.00 C ATOM 504 C GLY A 37 11.767 -10.915 -5.130 1.00 0.00 C ATOM 505 O GLY A 37 10.588 -10.580 -5.024 1.00 0.00 O ATOM 0 H GLY A 37 10.261 -12.531 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.933 -11.950 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.859 -12.774 -5.184 1.00 0.00 H new ATOM 509 N ILE A 38 12.685 -10.231 -5.797 1.00 0.00 N ATOM 510 CA ILE A 38 12.348 -8.990 -6.475 1.00 0.00 C ATOM 511 C ILE A 38 11.382 -9.288 -7.623 1.00 0.00 C ATOM 512 O ILE A 38 10.240 -8.829 -7.614 1.00 0.00 O ATOM 513 CB ILE A 38 13.617 -8.258 -6.913 1.00 0.00 C ATOM 514 CG1 ILE A 38 14.424 -7.785 -5.702 1.00 0.00 C ATOM 515 CG2 ILE A 38 13.285 -7.107 -7.865 1.00 0.00 C ATOM 516 CD1 ILE A 38 13.761 -6.576 -5.040 1.00 0.00 C ATOM 0 H ILE A 38 13.662 -10.512 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 38 11.835 -8.310 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 38 14.243 -8.961 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 38 14.512 -8.597 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 38 15.435 -7.524 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.205 -6.603 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.785 -7.500 -8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.628 -6.397 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.355 -6.260 -4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.696 -5.758 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.759 -6.847 -4.708 1.00 0.00 H new ATOM 528 N GLU A 39 11.875 -10.054 -8.585 1.00 0.00 N ATOM 529 CA GLU A 39 11.069 -10.418 -9.738 1.00 0.00 C ATOM 530 C GLU A 39 9.717 -10.973 -9.288 1.00 0.00 C ATOM 531 O GLU A 39 8.670 -10.466 -9.688 1.00 0.00 O ATOM 532 CB GLU A 39 11.806 -11.424 -10.626 1.00 0.00 C ATOM 533 CG GLU A 39 12.960 -10.753 -11.373 1.00 0.00 C ATOM 534 CD GLU A 39 13.476 -11.647 -12.503 1.00 0.00 C ATOM 535 OE1 GLU A 39 12.627 -12.326 -13.121 1.00 0.00 O ATOM 536 OE2 GLU A 39 14.706 -11.632 -12.722 1.00 0.00 O ATOM 0 H GLU A 39 12.822 -10.433 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 39 10.892 -9.520 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.190 -12.241 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.110 -11.861 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.627 -9.799 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.771 -10.536 -10.677 1.00 0.00 H new ATOM 543 N ALA A 40 9.782 -12.006 -8.460 1.00 0.00 N ATOM 544 CA ALA A 40 8.576 -12.634 -7.951 1.00 0.00 C ATOM 545 C ALA A 40 7.547 -11.554 -7.612 1.00 0.00 C ATOM 546 O ALA A 40 6.411 -11.605 -8.081 1.00 0.00 O ATOM 547 CB ALA A 40 8.925 -13.505 -6.742 1.00 0.00 C ATOM 0 H ALA A 40 10.652 -12.423 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 40 8.135 -13.285 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.020 -13.977 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.636 -14.275 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.368 -12.885 -5.963 1.00 0.00 H new ATOM 553 N ALA A 41 7.982 -10.600 -6.802 1.00 0.00 N ATOM 554 CA ALA A 41 7.113 -9.509 -6.396 1.00 0.00 C ATOM 555 C ALA A 41 6.698 -8.706 -7.630 1.00 0.00 C ATOM 556 O ALA A 41 5.513 -8.619 -7.949 1.00 0.00 O ATOM 557 CB ALA A 41 7.828 -8.647 -5.353 1.00 0.00 C ATOM 0 H ALA A 41 8.925 -10.560 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 41 6.205 -9.895 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.176 -7.828 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.075 -9.257 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.744 -8.241 -5.783 1.00 0.00 H new ATOM 563 N MET A 42 7.697 -8.140 -8.291 1.00 0.00 N ATOM 564 CA MET A 42 7.451 -7.347 -9.484 1.00 0.00 C ATOM 565 C MET A 42 6.373 -7.992 -10.358 1.00 0.00 C ATOM 566 O MET A 42 5.392 -7.345 -10.719 1.00 0.00 O ATOM 567 CB MET A 42 8.747 -7.215 -10.286 1.00 0.00 C ATOM 568 CG MET A 42 9.472 -5.912 -9.944 1.00 0.00 C ATOM 569 SD MET A 42 9.887 -5.033 -11.441 1.00 0.00 S ATOM 570 CE MET A 42 11.657 -4.913 -11.250 1.00 0.00 C ATOM 0 H MET A 42 8.678 -8.215 -8.023 1.00 0.00 H new ATOM 0 HA MET A 42 7.102 -6.361 -9.177 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.398 -8.064 -10.075 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.523 -7.242 -11.352 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.840 -5.290 -9.311 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.377 -6.128 -9.377 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.011 -3.989 -11.708 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.909 -4.912 -10.190 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.134 -5.764 -11.735 1.00 0.00 H new ATOM 580 N ASP A 43 6.593 -9.260 -10.673 1.00 0.00 N ATOM 581 CA ASP A 43 5.653 -10.000 -11.498 1.00 0.00 C ATOM 582 C ASP A 43 4.225 -9.646 -11.079 1.00 0.00 C ATOM 583 O ASP A 43 3.361 -9.427 -11.927 1.00 0.00 O ATOM 584 CB ASP A 43 5.836 -11.509 -11.325 1.00 0.00 C ATOM 585 CG ASP A 43 6.357 -12.244 -12.562 1.00 0.00 C ATOM 586 OD1 ASP A 43 7.395 -11.794 -13.094 1.00 0.00 O ATOM 587 OD2 ASP A 43 5.706 -13.238 -12.947 1.00 0.00 O ATOM 0 H ASP A 43 7.408 -9.794 -10.372 1.00 0.00 H new ATOM 0 HA ASP A 43 5.835 -9.732 -12.539 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.526 -11.684 -10.500 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.879 -11.945 -11.038 1.00 0.00 H new ATOM 592 N TRP A 44 4.020 -9.601 -9.771 1.00 0.00 N ATOM 593 CA TRP A 44 2.711 -9.278 -9.229 1.00 0.00 C ATOM 594 C TRP A 44 2.391 -7.828 -9.600 1.00 0.00 C ATOM 595 O TRP A 44 1.413 -7.563 -10.296 1.00 0.00 O ATOM 596 CB TRP A 44 2.663 -9.534 -7.721 1.00 0.00 C ATOM 597 CG TRP A 44 1.275 -9.359 -7.104 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.340 -10.296 -6.897 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.698 -8.128 -6.619 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.793 -9.761 -6.316 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.567 -8.401 -6.142 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.229 -6.826 -6.584 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.408 -7.424 -5.595 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.376 -5.861 -6.035 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.900 -6.120 -5.550 1.00 0.00 C ATOM 0 H TRP A 44 4.739 -9.783 -9.070 1.00 0.00 H new ATOM 0 HA TRP A 44 1.945 -9.925 -9.658 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.012 -10.548 -7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.358 -8.856 -7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.458 -11.339 -7.152 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.639 -10.270 -6.062 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.217 -6.589 -6.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.395 -7.663 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.735 -4.844 -5.985 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.497 -5.319 -5.140 1.00 0.00 H new ATOM 616 N LEU A 45 3.235 -6.927 -9.117 1.00 0.00 N ATOM 617 CA LEU A 45 3.054 -5.511 -9.389 1.00 0.00 C ATOM 618 C LEU A 45 2.739 -5.318 -10.874 1.00 0.00 C ATOM 619 O LEU A 45 1.747 -4.679 -11.223 1.00 0.00 O ATOM 620 CB LEU A 45 4.269 -4.714 -8.910 1.00 0.00 C ATOM 621 CG LEU A 45 4.588 -4.812 -7.416 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.073 -4.553 -7.155 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.692 -3.878 -6.602 1.00 0.00 C ATOM 0 H LEU A 45 4.045 -7.150 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 45 2.204 -5.121 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.142 -5.048 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.112 -3.665 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 45 4.376 -5.829 -7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.273 -4.629 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.671 -5.292 -7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.335 -3.554 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.939 -3.967 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.849 -2.849 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.648 -4.151 -6.755 1.00 0.00 H new ATOM 635 N MET A 46 3.601 -5.881 -11.708 1.00 0.00 N ATOM 636 CA MET A 46 3.427 -5.778 -13.146 1.00 0.00 C ATOM 637 C MET A 46 2.011 -6.187 -13.558 1.00 0.00 C ATOM 638 O MET A 46 1.444 -5.621 -14.491 1.00 0.00 O ATOM 639 CB MET A 46 4.443 -6.680 -13.849 1.00 0.00 C ATOM 640 CG MET A 46 5.844 -6.067 -13.802 1.00 0.00 C ATOM 641 SD MET A 46 5.930 -4.654 -14.889 1.00 0.00 S ATOM 642 CE MET A 46 5.919 -3.336 -13.686 1.00 0.00 C ATOM 0 H MET A 46 4.422 -6.410 -11.415 1.00 0.00 H new ATOM 0 HA MET A 46 3.585 -4.740 -13.439 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.455 -7.661 -13.373 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.143 -6.833 -14.886 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.084 -5.767 -12.782 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.585 -6.810 -14.098 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.296 -2.518 -14.048 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.518 -3.707 -12.743 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.936 -2.977 -13.531 1.00 0.00 H new ATOM 652 N GLU A 47 1.480 -7.167 -12.841 1.00 0.00 N ATOM 653 CA GLU A 47 0.142 -7.658 -13.120 1.00 0.00 C ATOM 654 C GLU A 47 -0.905 -6.674 -12.594 1.00 0.00 C ATOM 655 O GLU A 47 -2.023 -6.619 -13.104 1.00 0.00 O ATOM 656 CB GLU A 47 -0.067 -9.051 -12.523 1.00 0.00 C ATOM 657 CG GLU A 47 -0.704 -9.996 -13.544 1.00 0.00 C ATOM 658 CD GLU A 47 -2.216 -10.092 -13.334 1.00 0.00 C ATOM 659 OE1 GLU A 47 -2.632 -10.014 -12.157 1.00 0.00 O ATOM 660 OE2 GLU A 47 -2.923 -10.241 -14.354 1.00 0.00 O ATOM 0 H GLU A 47 1.953 -7.634 -12.067 1.00 0.00 H new ATOM 0 HA GLU A 47 0.025 -7.740 -14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.890 -9.457 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.703 -8.981 -11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.495 -9.641 -14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.258 -10.986 -13.456 1.00 0.00 H new ATOM 667 N HIS A 48 -0.506 -5.920 -11.579 1.00 0.00 N ATOM 668 CA HIS A 48 -1.395 -4.941 -10.979 1.00 0.00 C ATOM 669 C HIS A 48 -0.982 -3.535 -11.417 1.00 0.00 C ATOM 670 O HIS A 48 -1.431 -2.544 -10.843 1.00 0.00 O ATOM 671 CB HIS A 48 -1.431 -5.101 -9.457 1.00 0.00 C ATOM 672 CG HIS A 48 -2.056 -6.394 -8.990 1.00 0.00 C ATOM 673 ND1 HIS A 48 -3.159 -6.435 -8.156 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.721 -7.690 -9.250 1.00 0.00 C ATOM 675 CE1 HIS A 48 -3.465 -7.704 -7.930 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.573 -8.481 -8.608 1.00 0.00 N ATOM 0 H HIS A 48 0.422 -5.968 -11.158 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.414 -5.108 -11.329 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.413 -5.041 -9.072 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.984 -4.266 -9.027 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -3.653 -5.626 -7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.902 -8.018 -9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.279 -8.061 -7.316 1.00 0.00 H new ATOM 684 N GLU A 49 -0.131 -3.493 -12.432 1.00 0.00 N ATOM 685 CA GLU A 49 0.348 -2.224 -12.955 1.00 0.00 C ATOM 686 C GLU A 49 -0.831 -1.308 -13.287 1.00 0.00 C ATOM 687 O GLU A 49 -0.670 -0.092 -13.378 1.00 0.00 O ATOM 688 CB GLU A 49 1.240 -2.437 -14.180 1.00 0.00 C ATOM 689 CG GLU A 49 0.399 -2.675 -15.435 1.00 0.00 C ATOM 690 CD GLU A 49 0.505 -1.492 -16.399 1.00 0.00 C ATOM 691 OE1 GLU A 49 -0.007 -0.412 -16.030 1.00 0.00 O ATOM 692 OE2 GLU A 49 1.095 -1.693 -17.482 1.00 0.00 O ATOM 0 H GLU A 49 0.239 -4.317 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 49 0.952 -1.741 -12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.878 -1.566 -14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.898 -3.290 -14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.732 -3.585 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.643 -2.828 -15.155 1.00 0.00 H new ATOM 699 N ASP A 50 -1.990 -1.927 -13.460 1.00 0.00 N ATOM 700 CA ASP A 50 -3.195 -1.182 -13.781 1.00 0.00 C ATOM 701 C ASP A 50 -4.218 -1.369 -12.659 1.00 0.00 C ATOM 702 O ASP A 50 -5.421 -1.243 -12.884 1.00 0.00 O ATOM 703 CB ASP A 50 -3.824 -1.685 -15.082 1.00 0.00 C ATOM 704 CG ASP A 50 -4.487 -0.606 -15.939 1.00 0.00 C ATOM 705 OD1 ASP A 50 -5.694 -0.367 -15.718 1.00 0.00 O ATOM 706 OD2 ASP A 50 -3.772 -0.043 -16.797 1.00 0.00 O ATOM 0 H ASP A 50 -2.120 -2.936 -13.384 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.923 -0.133 -13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.052 -2.175 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.569 -2.443 -14.839 1.00 0.00 H new ATOM 711 N ASP A 51 -3.703 -1.665 -11.475 1.00 0.00 N ATOM 712 CA ASP A 51 -4.557 -1.870 -10.317 1.00 0.00 C ATOM 713 C ASP A 51 -5.671 -0.821 -10.318 1.00 0.00 C ATOM 714 O ASP A 51 -5.464 0.308 -10.761 1.00 0.00 O ATOM 715 CB ASP A 51 -3.767 -1.720 -9.016 1.00 0.00 C ATOM 716 CG ASP A 51 -3.932 -2.872 -8.022 1.00 0.00 C ATOM 717 OD1 ASP A 51 -4.386 -3.947 -8.470 1.00 0.00 O ATOM 718 OD2 ASP A 51 -3.600 -2.651 -6.838 1.00 0.00 O ATOM 0 H ASP A 51 -2.705 -1.768 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.967 -2.878 -10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.709 -1.620 -9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.071 -0.793 -8.529 1.00 0.00 H new ATOM 723 N PRO A 52 -6.857 -1.242 -9.803 1.00 0.00 N ATOM 724 CA PRO A 52 -8.003 -0.351 -9.740 1.00 0.00 C ATOM 725 C PRO A 52 -7.840 0.674 -8.617 1.00 0.00 C ATOM 726 O PRO A 52 -8.255 1.824 -8.755 1.00 0.00 O ATOM 727 CB PRO A 52 -9.201 -1.265 -9.541 1.00 0.00 C ATOM 728 CG PRO A 52 -8.640 -2.584 -9.036 1.00 0.00 C ATOM 729 CD PRO A 52 -7.138 -2.571 -9.270 1.00 0.00 C ATOM 0 HA PRO A 52 -8.121 0.247 -10.644 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.902 -0.839 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.745 -1.404 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.860 -2.712 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.101 -3.421 -9.561 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.592 -2.750 -8.344 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.840 -3.350 -9.972 1.00 0.00 H new ATOM 737 N ASP A 53 -7.235 0.221 -7.529 1.00 0.00 N ATOM 738 CA ASP A 53 -7.012 1.085 -6.381 1.00 0.00 C ATOM 739 C ASP A 53 -6.055 0.394 -5.408 1.00 0.00 C ATOM 740 O ASP A 53 -6.475 -0.089 -4.357 1.00 0.00 O ATOM 741 CB ASP A 53 -8.321 1.365 -5.640 1.00 0.00 C ATOM 742 CG ASP A 53 -9.013 2.674 -6.022 1.00 0.00 C ATOM 743 OD1 ASP A 53 -8.621 3.712 -5.447 1.00 0.00 O ATOM 744 OD2 ASP A 53 -9.919 2.608 -6.881 1.00 0.00 O ATOM 0 H ASP A 53 -6.892 -0.733 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.594 2.025 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.009 0.540 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.119 1.377 -4.569 1.00 0.00 H new ATOM 749 N VAL A 54 -4.787 0.371 -5.791 1.00 0.00 N ATOM 750 CA VAL A 54 -3.767 -0.252 -4.964 1.00 0.00 C ATOM 751 C VAL A 54 -3.677 0.488 -3.628 1.00 0.00 C ATOM 752 O VAL A 54 -3.204 -0.067 -2.638 1.00 0.00 O ATOM 753 CB VAL A 54 -2.435 -0.291 -5.717 1.00 0.00 C ATOM 754 CG1 VAL A 54 -1.841 1.113 -5.853 1.00 0.00 C ATOM 755 CG2 VAL A 54 -1.448 -1.240 -5.036 1.00 0.00 C ATOM 0 H VAL A 54 -4.443 0.774 -6.663 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.032 -1.286 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.628 -0.672 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.895 1.057 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.534 1.750 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.670 1.533 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.510 -1.249 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.263 -0.902 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.867 -2.246 -5.014 1.00 0.00 H new ATOM 765 N ASP A 55 -4.140 1.729 -3.643 1.00 0.00 N ATOM 766 CA ASP A 55 -4.118 2.551 -2.445 1.00 0.00 C ATOM 767 C ASP A 55 -5.295 3.527 -2.479 1.00 0.00 C ATOM 768 O ASP A 55 -5.107 4.727 -2.672 1.00 0.00 O ATOM 769 CB ASP A 55 -2.828 3.370 -2.362 1.00 0.00 C ATOM 770 CG ASP A 55 -2.628 4.130 -1.050 1.00 0.00 C ATOM 771 OD1 ASP A 55 -3.462 5.021 -0.778 1.00 0.00 O ATOM 772 OD2 ASP A 55 -1.646 3.805 -0.349 1.00 0.00 O ATOM 0 H ASP A 55 -4.533 2.186 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.181 1.889 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.980 2.701 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.816 4.085 -3.184 1.00 0.00 H new ATOM 777 N GLU A 56 -6.485 2.975 -2.289 1.00 0.00 N ATOM 778 CA GLU A 56 -7.694 3.782 -2.296 1.00 0.00 C ATOM 779 C GLU A 56 -7.530 4.990 -1.371 1.00 0.00 C ATOM 780 O GLU A 56 -6.784 4.934 -0.395 1.00 0.00 O ATOM 781 CB GLU A 56 -8.912 2.947 -1.896 1.00 0.00 C ATOM 782 CG GLU A 56 -8.651 2.181 -0.598 1.00 0.00 C ATOM 783 CD GLU A 56 -9.964 1.748 0.057 1.00 0.00 C ATOM 784 OE1 GLU A 56 -10.487 2.547 0.862 1.00 0.00 O ATOM 785 OE2 GLU A 56 -10.414 0.626 -0.263 1.00 0.00 O ATOM 0 H GLU A 56 -6.638 1.979 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.860 4.145 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.778 3.597 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.154 2.245 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.038 1.304 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.086 2.809 0.091 1.00 0.00 H new ATOM 792 N PRO A 57 -8.259 6.084 -1.721 1.00 0.00 N ATOM 793 CA PRO A 57 -8.203 7.304 -0.934 1.00 0.00 C ATOM 794 C PRO A 57 -8.989 7.153 0.370 1.00 0.00 C ATOM 795 O PRO A 57 -10.102 6.630 0.370 1.00 0.00 O ATOM 796 CB PRO A 57 -8.762 8.385 -1.844 1.00 0.00 C ATOM 797 CG PRO A 57 -9.539 7.657 -2.928 1.00 0.00 C ATOM 798 CD PRO A 57 -9.154 6.187 -2.870 1.00 0.00 C ATOM 0 HA PRO A 57 -7.191 7.554 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.409 9.066 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.961 8.986 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.612 7.777 -2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.308 8.074 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.032 5.552 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.658 5.871 -3.788 1.00 0.00 H new ATOM 806 N LEU A 58 -8.380 7.621 1.449 1.00 0.00 N ATOM 807 CA LEU A 58 -9.009 7.544 2.756 1.00 0.00 C ATOM 808 C LEU A 58 -9.509 8.933 3.159 1.00 0.00 C ATOM 809 O LEU A 58 -8.972 9.547 4.079 1.00 0.00 O ATOM 810 CB LEU A 58 -8.055 6.915 3.774 1.00 0.00 C ATOM 811 CG LEU A 58 -7.655 5.462 3.510 1.00 0.00 C ATOM 812 CD1 LEU A 58 -6.448 5.063 4.360 1.00 0.00 C ATOM 813 CD2 LEU A 58 -8.842 4.520 3.721 1.00 0.00 C ATOM 0 H LEU A 58 -7.457 8.055 1.445 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.879 6.888 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.149 7.519 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.519 6.970 4.759 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.356 5.374 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.184 4.026 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.603 5.708 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.695 5.171 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.531 3.494 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.195 4.604 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -9.647 4.790 3.038 1.00 0.00 H new ATOM 825 N SER A 59 -10.532 9.387 2.450 1.00 0.00 N ATOM 826 CA SER A 59 -11.111 10.692 2.721 1.00 0.00 C ATOM 827 C SER A 59 -10.030 11.771 2.637 1.00 0.00 C ATOM 828 O SER A 59 -9.314 12.016 3.607 1.00 0.00 O ATOM 829 CB SER A 59 -11.783 10.721 4.095 1.00 0.00 C ATOM 830 OG SER A 59 -13.192 10.913 3.996 1.00 0.00 O ATOM 0 H SER A 59 -10.975 8.874 1.688 1.00 0.00 H new ATOM 0 HA SER A 59 -11.874 10.891 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.580 9.786 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.349 11.522 4.694 1.00 0.00 H new ATOM 0 HG SER A 59 -13.585 10.924 4.894 1.00 0.00 H new ATOM 836 N GLY A 60 -9.946 12.389 1.467 1.00 0.00 N ATOM 837 CA GLY A 60 -8.965 13.437 1.243 1.00 0.00 C ATOM 838 C GLY A 60 -8.822 13.744 -0.249 1.00 0.00 C ATOM 839 O GLY A 60 -8.637 12.836 -1.058 1.00 0.00 O ATOM 0 H GLY A 60 -10.541 12.184 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.263 14.339 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.001 13.131 1.649 1.00 0.00 H new ATOM 843 N PRO A 61 -8.915 15.061 -0.576 1.00 0.00 N ATOM 844 CA PRO A 61 -8.797 15.499 -1.956 1.00 0.00 C ATOM 845 C PRO A 61 -7.342 15.449 -2.425 1.00 0.00 C ATOM 846 O PRO A 61 -7.058 14.995 -3.533 1.00 0.00 O ATOM 847 CB PRO A 61 -9.380 16.903 -1.974 1.00 0.00 C ATOM 848 CG PRO A 61 -9.374 17.375 -0.530 1.00 0.00 C ATOM 849 CD PRO A 61 -9.133 16.163 0.356 1.00 0.00 C ATOM 0 HA PRO A 61 -9.332 14.851 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.785 17.565 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.392 16.901 -2.380 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.595 18.122 -0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.323 17.848 -0.279 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.269 16.311 1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.988 15.970 1.005 1.00 0.00 H new ATOM 857 N SER A 62 -6.458 15.923 -1.559 1.00 0.00 N ATOM 858 CA SER A 62 -5.039 15.939 -1.871 1.00 0.00 C ATOM 859 C SER A 62 -4.784 16.801 -3.109 1.00 0.00 C ATOM 860 O SER A 62 -5.656 16.935 -3.967 1.00 0.00 O ATOM 861 CB SER A 62 -4.508 14.521 -2.093 1.00 0.00 C ATOM 862 OG SER A 62 -4.684 13.699 -0.943 1.00 0.00 O ATOM 0 H SER A 62 -6.697 16.299 -0.641 1.00 0.00 H new ATOM 0 HA SER A 62 -4.507 16.369 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.021 14.071 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.449 14.566 -2.348 1.00 0.00 H new ATOM 0 HG SER A 62 -4.334 12.802 -1.125 1.00 0.00 H new ATOM 868 N SER A 63 -3.586 17.364 -3.163 1.00 0.00 N ATOM 869 CA SER A 63 -3.206 18.209 -4.282 1.00 0.00 C ATOM 870 C SER A 63 -3.260 17.409 -5.585 1.00 0.00 C ATOM 871 O SER A 63 -2.376 16.599 -5.856 1.00 0.00 O ATOM 872 CB SER A 63 -1.809 18.798 -4.078 1.00 0.00 C ATOM 873 OG SER A 63 -1.768 19.712 -2.985 1.00 0.00 O ATOM 0 H SER A 63 -2.866 17.251 -2.450 1.00 0.00 H new ATOM 0 HA SER A 63 -3.914 19.036 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.098 17.991 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.494 19.308 -4.989 1.00 0.00 H new ATOM 0 HG SER A 63 -0.859 20.064 -2.887 1.00 0.00 H new ATOM 879 N GLY A 64 -4.307 17.664 -6.356 1.00 0.00 N ATOM 880 CA GLY A 64 -4.488 16.978 -7.623 1.00 0.00 C ATOM 881 C GLY A 64 -5.872 17.262 -8.208 1.00 0.00 C ATOM 882 O GLY A 64 -6.450 18.319 -7.960 1.00 0.00 O ATOM 0 H GLY A 64 -5.039 18.337 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.719 17.298 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.363 15.905 -7.480 1.00 0.00 H new TER 886 GLY A 64