USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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+ -124:sc= 0.114 (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 7:sc= 0.2! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 48:sc= 0.0681 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.12) USER MOD Single : A 19 MET CE :methyl -114:sc= -1.65 (180deg=-5.56!) USER MOD Single : A 22 ASN : amide:sc= 0.278 K(o=0.28,f=-5.2!) USER MOD Single : A 23 MET CE :methyl -174:sc= -1.69 (180deg=-1.72) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.37! C(o=-4.4!,f=-9!) USER MOD Single : A 38 ASN : amide:sc=-0.00914 K(o=-0.0091,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.087) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.365 -4.292 2.965 1.00 0.00 N ATOM 2 CA GLY A 1 -20.186 -4.941 4.253 1.00 0.00 C ATOM 3 C GLY A 1 -18.756 -5.461 4.412 1.00 0.00 C ATOM 4 O GLY A 1 -17.892 -5.172 3.585 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.709 -3.321 3.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.456 -4.266 2.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.058 -4.824 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.411 -4.236 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.890 -5.768 4.348 1.00 0.00 H new ATOM 8 N SER A 2 -18.550 -6.218 5.479 1.00 0.00 N ATOM 9 CA SER A 2 -17.240 -6.780 5.757 1.00 0.00 C ATOM 10 C SER A 2 -16.181 -5.676 5.734 1.00 0.00 C ATOM 11 O SER A 2 -15.630 -5.361 4.680 1.00 0.00 O ATOM 12 CB SER A 2 -16.886 -7.876 4.749 1.00 0.00 C ATOM 13 OG SER A 2 -17.902 -8.871 4.663 1.00 0.00 O ATOM 0 H SER A 2 -19.269 -6.455 6.162 1.00 0.00 H new ATOM 0 HA SER A 2 -17.265 -7.230 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.732 -7.429 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.944 -8.343 5.037 1.00 0.00 H new ATOM 0 HG SER A 2 -17.639 -9.551 4.008 1.00 0.00 H new ATOM 19 N SER A 3 -15.929 -5.118 6.909 1.00 0.00 N ATOM 20 CA SER A 3 -14.946 -4.055 7.037 1.00 0.00 C ATOM 21 C SER A 3 -14.507 -3.922 8.497 1.00 0.00 C ATOM 22 O SER A 3 -15.321 -4.059 9.408 1.00 0.00 O ATOM 23 CB SER A 3 -15.503 -2.725 6.526 1.00 0.00 C ATOM 24 OG SER A 3 -16.799 -2.452 7.052 1.00 0.00 O ATOM 0 H SER A 3 -16.388 -5.382 7.781 1.00 0.00 H new ATOM 0 HA SER A 3 -14.081 -4.313 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.823 -1.918 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.551 -2.746 5.437 1.00 0.00 H new ATOM 0 HG SER A 3 -17.119 -1.594 6.704 1.00 0.00 H new ATOM 30 N GLY A 4 -13.221 -3.655 8.673 1.00 0.00 N ATOM 31 CA GLY A 4 -12.665 -3.501 10.006 1.00 0.00 C ATOM 32 C GLY A 4 -11.317 -2.778 9.958 1.00 0.00 C ATOM 33 O GLY A 4 -10.305 -3.367 9.582 1.00 0.00 O ATOM 0 H GLY A 4 -12.549 -3.541 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.360 -2.941 10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.540 -4.481 10.467 1.00 0.00 H new ATOM 37 N SER A 5 -11.348 -1.510 10.344 1.00 0.00 N ATOM 38 CA SER A 5 -10.142 -0.700 10.349 1.00 0.00 C ATOM 39 C SER A 5 -9.679 -0.461 11.788 1.00 0.00 C ATOM 40 O SER A 5 -10.446 0.022 12.618 1.00 0.00 O ATOM 41 CB SER A 5 -10.371 0.634 9.636 1.00 0.00 C ATOM 42 OG SER A 5 -11.057 1.570 10.464 1.00 0.00 O ATOM 0 H SER A 5 -12.189 -1.024 10.655 1.00 0.00 H new ATOM 0 HA SER A 5 -9.365 -1.240 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.411 1.053 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.946 0.465 8.726 1.00 0.00 H new ATOM 0 HG SER A 5 -11.143 1.204 11.369 1.00 0.00 H new ATOM 48 N SER A 6 -8.425 -0.810 12.038 1.00 0.00 N ATOM 49 CA SER A 6 -7.851 -0.640 13.361 1.00 0.00 C ATOM 50 C SER A 6 -6.381 -1.064 13.352 1.00 0.00 C ATOM 51 O SER A 6 -6.075 -2.255 13.313 1.00 0.00 O ATOM 52 CB SER A 6 -8.628 -1.441 14.407 1.00 0.00 C ATOM 53 OG SER A 6 -8.785 -0.718 15.625 1.00 0.00 O ATOM 0 H SER A 6 -7.791 -1.210 11.346 1.00 0.00 H new ATOM 0 HA SER A 6 -7.917 0.415 13.629 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.610 -1.700 14.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.108 -2.378 14.606 1.00 0.00 H new ATOM 0 HG SER A 6 -9.288 -1.263 16.266 1.00 0.00 H new ATOM 59 N GLY A 7 -5.509 -0.067 13.389 1.00 0.00 N ATOM 60 CA GLY A 7 -4.079 -0.323 13.386 1.00 0.00 C ATOM 61 C GLY A 7 -3.673 -1.152 12.166 1.00 0.00 C ATOM 62 O GLY A 7 -4.526 -1.575 11.387 1.00 0.00 O ATOM 0 H GLY A 7 -5.766 0.920 13.421 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.537 0.623 13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.798 -0.850 14.298 1.00 0.00 H new ATOM 66 N CYS A 8 -2.370 -1.359 12.038 1.00 0.00 N ATOM 67 CA CYS A 8 -1.841 -2.129 10.926 1.00 0.00 C ATOM 68 C CYS A 8 -2.621 -3.442 10.837 1.00 0.00 C ATOM 69 O CYS A 8 -3.478 -3.718 11.675 1.00 0.00 O ATOM 70 CB CYS A 8 -0.336 -2.368 11.068 1.00 0.00 C ATOM 71 SG CYS A 8 -0.010 -3.472 12.491 1.00 0.00 S ATOM 0 H CYS A 8 -1.666 -1.007 12.686 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.967 -1.568 10.000 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.058 -2.813 10.154 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.180 -1.418 11.208 1.00 0.00 H new ATOM 0 HG CYS A 8 1.270 -3.671 12.602 1.00 0.00 H new ATOM 77 N SER A 9 -2.296 -4.218 9.813 1.00 0.00 N ATOM 78 CA SER A 9 -2.956 -5.496 9.604 1.00 0.00 C ATOM 79 C SER A 9 -2.152 -6.344 8.617 1.00 0.00 C ATOM 80 O SER A 9 -1.384 -5.812 7.817 1.00 0.00 O ATOM 81 CB SER A 9 -4.386 -5.301 9.094 1.00 0.00 C ATOM 82 OG SER A 9 -5.354 -5.567 10.106 1.00 0.00 O ATOM 0 H SER A 9 -1.585 -3.987 9.119 1.00 0.00 H new ATOM 0 HA SER A 9 -3.008 -6.015 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.507 -4.279 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.561 -5.959 8.243 1.00 0.00 H new ATOM 0 HG SER A 9 -5.098 -5.106 10.932 1.00 0.00 H new ATOM 88 N GLU A 10 -2.357 -7.651 8.704 1.00 0.00 N ATOM 89 CA GLU A 10 -1.661 -8.578 7.829 1.00 0.00 C ATOM 90 C GLU A 10 -2.486 -8.838 6.567 1.00 0.00 C ATOM 91 O GLU A 10 -1.934 -9.146 5.512 1.00 0.00 O ATOM 92 CB GLU A 10 -1.344 -9.886 8.556 1.00 0.00 C ATOM 93 CG GLU A 10 0.110 -9.910 9.032 1.00 0.00 C ATOM 94 CD GLU A 10 0.214 -9.485 10.498 1.00 0.00 C ATOM 95 OE1 GLU A 10 -0.310 -8.394 10.811 1.00 0.00 O ATOM 96 OE2 GLU A 10 0.816 -10.260 11.273 1.00 0.00 O ATOM 0 H GLU A 10 -2.996 -8.089 9.368 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.714 -8.126 7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.012 -10.003 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.527 -10.730 7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.520 -10.913 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.710 -9.243 8.413 1.00 0.00 H new ATOM 103 N GLU A 11 -3.796 -8.705 6.718 1.00 0.00 N ATOM 104 CA GLU A 11 -4.703 -8.922 5.604 1.00 0.00 C ATOM 105 C GLU A 11 -4.595 -7.772 4.599 1.00 0.00 C ATOM 106 O GLU A 11 -4.410 -8.002 3.405 1.00 0.00 O ATOM 107 CB GLU A 11 -6.143 -9.088 6.093 1.00 0.00 C ATOM 108 CG GLU A 11 -6.862 -10.192 5.316 1.00 0.00 C ATOM 109 CD GLU A 11 -8.116 -10.659 6.059 1.00 0.00 C ATOM 110 OE1 GLU A 11 -7.950 -11.165 7.190 1.00 0.00 O ATOM 111 OE2 GLU A 11 -9.212 -10.499 5.479 1.00 0.00 O ATOM 0 H GLU A 11 -4.250 -8.450 7.595 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.415 -9.846 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.144 -9.327 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.681 -8.147 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.136 -9.826 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.188 -11.035 5.168 1.00 0.00 H new ATOM 118 N ASP A 12 -4.715 -6.560 5.121 1.00 0.00 N ATOM 119 CA ASP A 12 -4.633 -5.375 4.285 1.00 0.00 C ATOM 120 C ASP A 12 -3.270 -5.338 3.591 1.00 0.00 C ATOM 121 O ASP A 12 -3.190 -5.126 2.382 1.00 0.00 O ATOM 122 CB ASP A 12 -4.772 -4.101 5.121 1.00 0.00 C ATOM 123 CG ASP A 12 -3.459 -3.544 5.675 1.00 0.00 C ATOM 124 OD1 ASP A 12 -2.940 -4.160 6.630 1.00 0.00 O ATOM 125 OD2 ASP A 12 -3.005 -2.515 5.130 1.00 0.00 O ATOM 0 H ASP A 12 -4.868 -6.373 6.112 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.443 -5.420 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.245 -3.333 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.444 -4.303 5.955 1.00 0.00 H new ATOM 130 N LEU A 13 -2.231 -5.548 4.386 1.00 0.00 N ATOM 131 CA LEU A 13 -0.875 -5.542 3.864 1.00 0.00 C ATOM 132 C LEU A 13 -0.827 -6.361 2.572 1.00 0.00 C ATOM 133 O LEU A 13 -0.673 -5.805 1.486 1.00 0.00 O ATOM 134 CB LEU A 13 0.112 -6.018 4.931 1.00 0.00 C ATOM 135 CG LEU A 13 1.286 -5.081 5.225 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.636 -5.091 6.714 1.00 0.00 C ATOM 137 CD2 LEU A 13 2.493 -5.424 4.350 1.00 0.00 C ATOM 0 H LEU A 13 -2.301 -5.723 5.388 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.569 -4.527 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.437 -6.182 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.512 -6.984 4.622 1.00 0.00 H new ATOM 0 HG LEU A 13 0.984 -4.065 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.473 -4.417 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.773 -4.762 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.912 -6.101 7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.313 -4.744 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.806 -6.449 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.221 -5.324 3.299 1.00 0.00 H new ATOM 149 N LYS A 14 -0.962 -7.669 2.733 1.00 0.00 N ATOM 150 CA LYS A 14 -0.936 -8.570 1.594 1.00 0.00 C ATOM 151 C LYS A 14 -1.682 -7.927 0.423 1.00 0.00 C ATOM 152 O LYS A 14 -1.201 -7.945 -0.709 1.00 0.00 O ATOM 153 CB LYS A 14 -1.478 -9.946 1.986 1.00 0.00 C ATOM 154 CG LYS A 14 -0.338 -10.907 2.329 1.00 0.00 C ATOM 155 CD LYS A 14 -0.599 -11.615 3.660 1.00 0.00 C ATOM 156 CE LYS A 14 -0.250 -13.102 3.568 1.00 0.00 C ATOM 157 NZ LYS A 14 -0.062 -13.675 4.920 1.00 0.00 N ATOM 0 H LYS A 14 -1.090 -8.126 3.636 1.00 0.00 H new ATOM 0 HA LYS A 14 0.090 -8.738 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.145 -9.848 2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.069 -10.355 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.229 -11.646 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.602 -10.357 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.008 -11.147 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.647 -11.500 3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.045 -13.637 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.659 -13.233 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.174 -14.685 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.711 -13.176 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.940 -13.568 5.468 1.00 0.00 H new ATOM 171 N ALA A 15 -2.844 -7.373 0.736 1.00 0.00 N ATOM 172 CA ALA A 15 -3.661 -6.725 -0.276 1.00 0.00 C ATOM 173 C ALA A 15 -2.798 -5.742 -1.069 1.00 0.00 C ATOM 174 O ALA A 15 -2.771 -5.786 -2.298 1.00 0.00 O ATOM 175 CB ALA A 15 -4.856 -6.043 0.393 1.00 0.00 C ATOM 0 H ALA A 15 -3.239 -7.359 1.676 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.055 -7.459 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.469 -5.557 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.453 -6.788 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.499 -5.297 1.103 1.00 0.00 H new ATOM 181 N ILE A 16 -2.113 -4.878 -0.334 1.00 0.00 N ATOM 182 CA ILE A 16 -1.251 -3.887 -0.954 1.00 0.00 C ATOM 183 C ILE A 16 -0.045 -4.587 -1.585 1.00 0.00 C ATOM 184 O ILE A 16 0.225 -4.417 -2.773 1.00 0.00 O ATOM 185 CB ILE A 16 -0.872 -2.800 0.054 1.00 0.00 C ATOM 186 CG1 ILE A 16 -2.093 -1.966 0.446 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.269 -1.931 -0.478 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.802 -1.115 1.683 1.00 0.00 C ATOM 0 H ILE A 16 -2.138 -4.844 0.685 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.779 -3.374 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.510 -3.286 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.379 -1.321 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.939 -2.624 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.518 -1.167 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.144 -2.554 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.041 -1.452 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.687 -0.532 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.540 -1.765 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.971 -0.441 1.474 1.00 0.00 H new ATOM 200 N GLN A 17 0.646 -5.361 -0.761 1.00 0.00 N ATOM 201 CA GLN A 17 1.816 -6.088 -1.223 1.00 0.00 C ATOM 202 C GLN A 17 1.543 -6.720 -2.590 1.00 0.00 C ATOM 203 O GLN A 17 2.305 -6.518 -3.534 1.00 0.00 O ATOM 204 CB GLN A 17 2.241 -7.148 -0.204 1.00 0.00 C ATOM 205 CG GLN A 17 3.668 -6.896 0.286 1.00 0.00 C ATOM 206 CD GLN A 17 4.666 -7.798 -0.443 1.00 0.00 C ATOM 207 OE1 GLN A 17 4.574 -9.015 -0.419 1.00 0.00 O ATOM 208 NE2 GLN A 17 5.621 -7.137 -1.091 1.00 0.00 N ATOM 0 H GLN A 17 0.418 -5.500 0.223 1.00 0.00 H new ATOM 0 HA GLN A 17 2.640 -5.382 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.555 -7.139 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.177 -8.138 -0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.932 -5.851 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.725 -7.078 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.640 -6.117 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.335 -7.650 -1.609 1.00 0.00 H new ATOM 217 N ASP A 18 0.454 -7.472 -2.651 1.00 0.00 N ATOM 218 CA ASP A 18 0.071 -8.134 -3.886 1.00 0.00 C ATOM 219 C ASP A 18 0.025 -7.106 -5.019 1.00 0.00 C ATOM 220 O ASP A 18 0.577 -7.336 -6.093 1.00 0.00 O ATOM 221 CB ASP A 18 -1.317 -8.766 -3.765 1.00 0.00 C ATOM 222 CG ASP A 18 -1.480 -10.111 -4.475 1.00 0.00 C ATOM 223 OD1 ASP A 18 -0.630 -10.400 -5.346 1.00 0.00 O ATOM 224 OD2 ASP A 18 -2.450 -10.821 -4.132 1.00 0.00 O ATOM 0 H ASP A 18 -0.175 -7.637 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 18 0.805 -8.913 -4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.548 -8.900 -2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.053 -8.069 -4.166 1.00 0.00 H new ATOM 229 N MET A 19 -0.639 -5.994 -4.738 1.00 0.00 N ATOM 230 CA MET A 19 -0.764 -4.930 -5.720 1.00 0.00 C ATOM 231 C MET A 19 0.608 -4.361 -6.090 1.00 0.00 C ATOM 232 O MET A 19 0.903 -4.159 -7.267 1.00 0.00 O ATOM 233 CB MET A 19 -1.644 -3.814 -5.154 1.00 0.00 C ATOM 234 CG MET A 19 -3.102 -4.265 -5.048 1.00 0.00 C ATOM 235 SD MET A 19 -3.915 -3.397 -3.717 1.00 0.00 S ATOM 236 CE MET A 19 -3.872 -1.733 -4.360 1.00 0.00 C ATOM 0 H MET A 19 -1.096 -5.807 -3.845 1.00 0.00 H new ATOM 0 HA MET A 19 -1.220 -5.343 -6.620 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.278 -3.521 -4.170 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.578 -2.934 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.620 -4.073 -5.988 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.147 -5.340 -4.873 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.228 -1.117 -3.732 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.481 -1.746 -5.378 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.880 -1.318 -4.364 1.00 0.00 H new ATOM 246 N PHE A 20 1.409 -4.119 -5.063 1.00 0.00 N ATOM 247 CA PHE A 20 2.742 -3.578 -5.266 1.00 0.00 C ATOM 248 C PHE A 20 3.802 -4.475 -4.622 1.00 0.00 C ATOM 249 O PHE A 20 4.339 -4.146 -3.565 1.00 0.00 O ATOM 250 CB PHE A 20 2.774 -2.205 -4.591 1.00 0.00 C ATOM 251 CG PHE A 20 1.649 -1.268 -5.034 1.00 0.00 C ATOM 252 CD1 PHE A 20 1.547 -0.897 -6.339 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.752 -0.804 -4.123 1.00 0.00 C ATOM 254 CE1 PHE A 20 0.503 -0.027 -6.750 1.00 0.00 C ATOM 255 CE2 PHE A 20 -0.292 0.066 -4.534 1.00 0.00 C ATOM 256 CZ PHE A 20 -0.395 0.436 -5.839 1.00 0.00 C ATOM 0 H PHE A 20 1.161 -4.288 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 20 2.959 -3.513 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.716 -2.341 -3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.732 -1.730 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.260 -1.264 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.834 -1.097 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.422 0.267 -7.786 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.004 0.434 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.190 1.097 -6.152 1.00 0.00 H new ATOM 266 N PRO A 21 4.078 -5.618 -5.303 1.00 0.00 N ATOM 267 CA PRO A 21 5.064 -6.565 -4.809 1.00 0.00 C ATOM 268 C PRO A 21 6.485 -6.045 -5.036 1.00 0.00 C ATOM 269 O PRO A 21 7.389 -6.337 -4.255 1.00 0.00 O ATOM 270 CB PRO A 21 4.777 -7.857 -5.556 1.00 0.00 C ATOM 271 CG PRO A 21 3.952 -7.463 -6.770 1.00 0.00 C ATOM 272 CD PRO A 21 3.462 -6.040 -6.558 1.00 0.00 C ATOM 0 HA PRO A 21 4.996 -6.720 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.703 -8.348 -5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.233 -8.560 -4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.552 -7.529 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.109 -8.142 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.759 -5.392 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.374 -6.001 -6.498 1.00 0.00 H new ATOM 280 N ASN A 22 6.638 -5.283 -6.110 1.00 0.00 N ATOM 281 CA ASN A 22 7.933 -4.720 -6.450 1.00 0.00 C ATOM 282 C ASN A 22 8.423 -3.845 -5.294 1.00 0.00 C ATOM 283 O ASN A 22 9.600 -3.878 -4.941 1.00 0.00 O ATOM 284 CB ASN A 22 7.842 -3.845 -7.701 1.00 0.00 C ATOM 285 CG ASN A 22 6.559 -3.012 -7.695 1.00 0.00 C ATOM 286 OD1 ASN A 22 5.453 -3.527 -7.729 1.00 0.00 O ATOM 287 ND2 ASN A 22 6.766 -1.699 -7.651 1.00 0.00 N ATOM 0 H ASN A 22 5.886 -5.043 -6.756 1.00 0.00 H new ATOM 0 HA ASN A 22 8.621 -5.545 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.708 -3.185 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.868 -4.473 -8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.973 -1.058 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.718 -1.333 -7.624 1.00 0.00 H new ATOM 294 N MET A 23 7.493 -3.081 -4.738 1.00 0.00 N ATOM 295 CA MET A 23 7.816 -2.198 -3.630 1.00 0.00 C ATOM 296 C MET A 23 8.354 -2.990 -2.436 1.00 0.00 C ATOM 297 O MET A 23 8.272 -4.217 -2.413 1.00 0.00 O ATOM 298 CB MET A 23 6.562 -1.429 -3.209 1.00 0.00 C ATOM 299 CG MET A 23 6.145 -0.427 -4.288 1.00 0.00 C ATOM 300 SD MET A 23 7.166 1.034 -4.191 1.00 0.00 S ATOM 301 CE MET A 23 6.273 1.955 -2.950 1.00 0.00 C ATOM 0 H MET A 23 6.517 -3.055 -5.034 1.00 0.00 H new ATOM 0 HA MET A 23 8.588 -1.502 -3.958 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.747 -2.129 -3.023 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.751 -0.903 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.239 -0.882 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.097 -0.157 -4.160 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.716 2.945 -2.843 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.230 2.054 -3.251 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.327 1.429 -1.997 1.00 0.00 H new ATOM 311 N ASP A 24 8.892 -2.255 -1.474 1.00 0.00 N ATOM 312 CA ASP A 24 9.444 -2.873 -0.280 1.00 0.00 C ATOM 313 C ASP A 24 8.343 -3.008 0.774 1.00 0.00 C ATOM 314 O ASP A 24 7.546 -2.091 0.965 1.00 0.00 O ATOM 315 CB ASP A 24 10.565 -2.018 0.314 1.00 0.00 C ATOM 316 CG ASP A 24 11.956 -2.285 -0.264 1.00 0.00 C ATOM 317 OD1 ASP A 24 12.253 -3.475 -0.504 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.692 -1.292 -0.453 1.00 0.00 O ATOM 0 H ASP A 24 8.958 -1.237 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 24 9.843 -3.848 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.320 -0.967 0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.597 -2.185 1.391 1.00 0.00 H new ATOM 323 N GLN A 25 8.335 -4.159 1.430 1.00 0.00 N ATOM 324 CA GLN A 25 7.345 -4.426 2.460 1.00 0.00 C ATOM 325 C GLN A 25 7.470 -3.406 3.594 1.00 0.00 C ATOM 326 O GLN A 25 6.528 -2.666 3.874 1.00 0.00 O ATOM 327 CB GLN A 25 7.478 -5.855 2.991 1.00 0.00 C ATOM 328 CG GLN A 25 6.889 -6.864 2.003 1.00 0.00 C ATOM 329 CD GLN A 25 7.799 -8.085 1.858 1.00 0.00 C ATOM 330 OE1 GLN A 25 7.965 -8.879 2.769 1.00 0.00 O ATOM 331 NE2 GLN A 25 8.379 -8.189 0.665 1.00 0.00 N ATOM 0 H GLN A 25 8.998 -4.917 1.269 1.00 0.00 H new ATOM 0 HA GLN A 25 6.354 -4.328 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.529 -6.085 3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.967 -5.939 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.903 -7.179 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.753 -6.390 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.196 -7.489 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.006 -8.969 0.469 1.00 0.00 H new ATOM 340 N GLU A 26 8.640 -3.400 4.214 1.00 0.00 N ATOM 341 CA GLU A 26 8.901 -2.483 5.311 1.00 0.00 C ATOM 342 C GLU A 26 8.364 -1.089 4.977 1.00 0.00 C ATOM 343 O GLU A 26 7.951 -0.349 5.868 1.00 0.00 O ATOM 344 CB GLU A 26 10.394 -2.431 5.640 1.00 0.00 C ATOM 345 CG GLU A 26 11.209 -1.995 4.420 1.00 0.00 C ATOM 346 CD GLU A 26 12.052 -0.759 4.738 1.00 0.00 C ATOM 347 OE1 GLU A 26 12.746 -0.796 5.777 1.00 0.00 O ATOM 348 OE2 GLU A 26 11.983 0.196 3.934 1.00 0.00 O ATOM 0 H GLU A 26 9.418 -4.015 3.978 1.00 0.00 H new ATOM 0 HA GLU A 26 8.381 -2.849 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.565 -1.737 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.731 -3.412 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.858 -2.810 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.538 -1.778 3.589 1.00 0.00 H new ATOM 355 N VAL A 27 8.388 -0.774 3.690 1.00 0.00 N ATOM 356 CA VAL A 27 7.909 0.517 3.227 1.00 0.00 C ATOM 357 C VAL A 27 6.380 0.538 3.279 1.00 0.00 C ATOM 358 O VAL A 27 5.790 1.389 3.943 1.00 0.00 O ATOM 359 CB VAL A 27 8.464 0.812 1.832 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.931 2.143 1.300 1.00 0.00 C ATOM 361 CG2 VAL A 27 9.994 0.795 1.835 1.00 0.00 C ATOM 0 H VAL A 27 8.732 -1.391 2.954 1.00 0.00 H new ATOM 0 HA VAL A 27 8.267 1.313 3.880 1.00 0.00 H new ATOM 0 HB VAL A 27 8.122 0.023 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.341 2.328 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.843 2.102 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.228 2.948 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.362 1.008 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.365 1.552 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.346 -0.187 2.150 1.00 0.00 H new ATOM 371 N ILE A 28 5.783 -0.408 2.570 1.00 0.00 N ATOM 372 CA ILE A 28 4.334 -0.509 2.527 1.00 0.00 C ATOM 373 C ILE A 28 3.770 -0.288 3.931 1.00 0.00 C ATOM 374 O ILE A 28 2.862 0.521 4.119 1.00 0.00 O ATOM 375 CB ILE A 28 3.908 -1.836 1.895 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.043 -1.786 0.371 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.494 -2.222 2.333 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.284 -3.183 -0.204 1.00 0.00 C ATOM 0 H ILE A 28 6.276 -1.112 2.020 1.00 0.00 H new ATOM 0 HA ILE A 28 3.917 0.270 1.889 1.00 0.00 H new ATOM 0 HB ILE A 28 4.580 -2.616 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.139 -1.361 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.868 -1.129 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.215 -3.169 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.465 -2.326 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.793 -1.447 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.376 -3.119 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.202 -3.595 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.446 -3.831 0.051 1.00 0.00 H new ATOM 390 N ARG A 29 4.331 -1.021 4.882 1.00 0.00 N ATOM 391 CA ARG A 29 3.895 -0.915 6.264 1.00 0.00 C ATOM 392 C ARG A 29 4.057 0.523 6.763 1.00 0.00 C ATOM 393 O ARG A 29 3.146 1.078 7.375 1.00 0.00 O ATOM 394 CB ARG A 29 4.696 -1.854 7.168 1.00 0.00 C ATOM 395 CG ARG A 29 4.831 -3.241 6.534 1.00 0.00 C ATOM 396 CD ARG A 29 5.065 -4.311 7.602 1.00 0.00 C ATOM 397 NE ARG A 29 6.180 -5.195 7.197 1.00 0.00 N ATOM 398 CZ ARG A 29 6.052 -6.227 6.351 1.00 0.00 C ATOM 399 NH1 ARG A 29 4.857 -6.510 5.816 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.120 -6.975 6.041 1.00 0.00 N ATOM 0 H ARG A 29 5.084 -1.691 4.722 1.00 0.00 H new ATOM 0 HA ARG A 29 2.844 -1.201 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.686 -1.435 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.204 -1.939 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.929 -3.476 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.659 -3.242 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.293 -3.839 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.158 -4.898 7.745 1.00 0.00 H new ATOM 0 HE ARG A 29 7.104 -5.007 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.045 -5.940 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.759 -7.295 5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.030 -6.759 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.023 -7.760 5.397 1.00 0.00 H new ATOM 414 N SER A 30 5.224 1.084 6.483 1.00 0.00 N ATOM 415 CA SER A 30 5.518 2.446 6.895 1.00 0.00 C ATOM 416 C SER A 30 4.463 3.402 6.335 1.00 0.00 C ATOM 417 O SER A 30 4.255 4.488 6.872 1.00 0.00 O ATOM 418 CB SER A 30 6.915 2.871 6.439 1.00 0.00 C ATOM 419 OG SER A 30 7.584 3.651 7.426 1.00 0.00 O ATOM 0 H SER A 30 5.977 0.620 5.976 1.00 0.00 H new ATOM 0 HA SER A 30 5.494 2.486 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.508 1.985 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.836 3.445 5.516 1.00 0.00 H new ATOM 0 HG SER A 30 8.473 3.901 7.098 1.00 0.00 H new ATOM 425 N VAL A 31 3.823 2.962 5.260 1.00 0.00 N ATOM 426 CA VAL A 31 2.795 3.765 4.621 1.00 0.00 C ATOM 427 C VAL A 31 1.458 3.531 5.328 1.00 0.00 C ATOM 428 O VAL A 31 0.799 4.481 5.746 1.00 0.00 O ATOM 429 CB VAL A 31 2.742 3.452 3.124 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.618 4.233 2.440 1.00 0.00 C ATOM 431 CG2 VAL A 31 4.090 3.733 2.457 1.00 0.00 C ATOM 0 H VAL A 31 3.997 2.060 4.816 1.00 0.00 H new ATOM 0 HA VAL A 31 3.029 4.826 4.710 1.00 0.00 H new ATOM 0 HB VAL A 31 2.528 2.389 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.602 3.992 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.662 3.962 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.788 5.302 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.025 3.502 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.347 4.784 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.860 3.113 2.916 1.00 0.00 H new ATOM 441 N LEU A 32 1.098 2.261 5.439 1.00 0.00 N ATOM 442 CA LEU A 32 -0.148 1.890 6.089 1.00 0.00 C ATOM 443 C LEU A 32 -0.141 2.407 7.528 1.00 0.00 C ATOM 444 O LEU A 32 -1.169 2.853 8.036 1.00 0.00 O ATOM 445 CB LEU A 32 -0.382 0.382 5.978 1.00 0.00 C ATOM 446 CG LEU A 32 -1.472 -0.195 6.882 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.860 0.257 6.425 1.00 0.00 C ATOM 448 CD2 LEU A 32 -1.365 -1.719 6.966 1.00 0.00 C ATOM 0 H LEU A 32 1.647 1.476 5.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.994 2.358 5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.634 0.149 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.555 -0.128 6.201 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.322 0.195 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.617 -0.168 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.918 1.345 6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.036 -0.084 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.152 -2.104 7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.475 -2.147 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.392 -1.994 7.373 1.00 0.00 H new ATOM 460 N GLU A 33 1.029 2.331 8.145 1.00 0.00 N ATOM 461 CA GLU A 33 1.183 2.786 9.517 1.00 0.00 C ATOM 462 C GLU A 33 1.141 4.315 9.577 1.00 0.00 C ATOM 463 O GLU A 33 0.513 4.887 10.466 1.00 0.00 O ATOM 464 CB GLU A 33 2.477 2.249 10.131 1.00 0.00 C ATOM 465 CG GLU A 33 2.216 0.971 10.929 1.00 0.00 C ATOM 466 CD GLU A 33 2.002 1.284 12.411 1.00 0.00 C ATOM 467 OE1 GLU A 33 1.051 2.042 12.700 1.00 0.00 O ATOM 468 OE2 GLU A 33 2.794 0.758 13.223 1.00 0.00 O ATOM 0 H GLU A 33 1.879 1.961 7.720 1.00 0.00 H new ATOM 0 HA GLU A 33 0.352 2.395 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.202 2.048 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.916 3.005 10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.338 0.462 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.059 0.289 10.816 1.00 0.00 H new ATOM 475 N ALA A 34 1.817 4.932 8.619 1.00 0.00 N ATOM 476 CA ALA A 34 1.864 6.382 8.552 1.00 0.00 C ATOM 477 C ALA A 34 0.511 6.911 8.070 1.00 0.00 C ATOM 478 O ALA A 34 0.234 8.104 8.176 1.00 0.00 O ATOM 479 CB ALA A 34 3.016 6.814 7.642 1.00 0.00 C ATOM 0 H ALA A 34 2.337 4.454 7.883 1.00 0.00 H new ATOM 0 HA ALA A 34 2.051 6.805 9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.051 7.902 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.957 6.439 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.861 6.409 6.642 1.00 0.00 H new ATOM 485 N GLN A 35 -0.294 5.996 7.551 1.00 0.00 N ATOM 486 CA GLN A 35 -1.611 6.355 7.052 1.00 0.00 C ATOM 487 C GLN A 35 -2.692 5.906 8.037 1.00 0.00 C ATOM 488 O GLN A 35 -3.758 5.449 7.629 1.00 0.00 O ATOM 489 CB GLN A 35 -1.853 5.760 5.664 1.00 0.00 C ATOM 490 CG GLN A 35 -0.960 6.430 4.617 1.00 0.00 C ATOM 491 CD GLN A 35 -1.383 7.882 4.384 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.551 8.198 4.228 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.371 8.744 4.368 1.00 0.00 N ATOM 0 H GLN A 35 -0.060 5.007 7.465 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.659 7.440 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.655 4.688 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.900 5.885 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.079 6.398 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.015 5.877 3.679 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.584 8.412 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.549 9.737 4.218 1.00 0.00 H new ATOM 502 N ARG A 36 -2.379 6.051 9.317 1.00 0.00 N ATOM 503 CA ARG A 36 -3.311 5.666 10.363 1.00 0.00 C ATOM 504 C ARG A 36 -4.014 4.358 9.993 1.00 0.00 C ATOM 505 O ARG A 36 -5.208 4.200 10.241 1.00 0.00 O ATOM 506 CB ARG A 36 -4.361 6.754 10.594 1.00 0.00 C ATOM 507 CG ARG A 36 -3.740 7.982 11.264 1.00 0.00 C ATOM 508 CD ARG A 36 -4.325 9.274 10.689 1.00 0.00 C ATOM 509 NE ARG A 36 -4.604 10.233 11.782 1.00 0.00 N ATOM 510 CZ ARG A 36 -5.600 10.092 12.668 1.00 0.00 C ATOM 511 NH1 ARG A 36 -6.416 9.033 12.596 1.00 0.00 N ATOM 512 NH2 ARG A 36 -5.778 11.012 13.626 1.00 0.00 N ATOM 0 H ARG A 36 -1.493 6.430 9.653 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.740 5.528 11.281 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.808 7.041 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.165 6.362 11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.919 7.944 12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.660 7.972 11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.627 9.714 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.242 9.056 10.142 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.001 11.051 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.280 8.333 11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.174 8.926 13.270 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.156 11.819 13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.536 10.906 14.301 1.00 0.00 H new ATOM 526 N GLY A 37 -3.243 3.455 9.405 1.00 0.00 N ATOM 527 CA GLY A 37 -3.778 2.166 8.998 1.00 0.00 C ATOM 528 C GLY A 37 -4.872 2.335 7.942 1.00 0.00 C ATOM 529 O GLY A 37 -5.962 1.782 8.079 1.00 0.00 O ATOM 0 H GLY A 37 -2.253 3.590 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.976 1.545 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.183 1.646 9.866 1.00 0.00 H new ATOM 533 N ASN A 38 -4.543 3.102 6.913 1.00 0.00 N ATOM 534 CA ASN A 38 -5.484 3.351 5.834 1.00 0.00 C ATOM 535 C ASN A 38 -4.918 2.788 4.529 1.00 0.00 C ATOM 536 O ASN A 38 -4.096 3.431 3.877 1.00 0.00 O ATOM 537 CB ASN A 38 -5.717 4.851 5.641 1.00 0.00 C ATOM 538 CG ASN A 38 -7.052 5.113 4.941 1.00 0.00 C ATOM 539 OD1 ASN A 38 -7.598 4.266 4.253 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.544 6.330 5.154 1.00 0.00 N ATOM 0 H ASN A 38 -3.638 3.559 6.804 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.428 2.870 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.705 5.352 6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.904 5.276 5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.431 6.603 4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.035 6.990 5.741 1.00 0.00 H new ATOM 547 N LYS A 39 -5.379 1.594 4.187 1.00 0.00 N ATOM 548 CA LYS A 39 -4.929 0.938 2.972 1.00 0.00 C ATOM 549 C LYS A 39 -5.056 1.908 1.796 1.00 0.00 C ATOM 550 O LYS A 39 -4.068 2.216 1.131 1.00 0.00 O ATOM 551 CB LYS A 39 -5.679 -0.380 2.765 1.00 0.00 C ATOM 552 CG LYS A 39 -5.095 -1.164 1.588 1.00 0.00 C ATOM 553 CD LYS A 39 -6.052 -2.269 1.137 1.00 0.00 C ATOM 554 CE LYS A 39 -6.930 -1.794 -0.023 1.00 0.00 C ATOM 555 NZ LYS A 39 -8.313 -2.299 0.133 1.00 0.00 N ATOM 0 H LYS A 39 -6.060 1.064 4.731 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.876 0.670 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.621 -0.982 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.735 -0.177 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.898 -0.487 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.139 -1.601 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.482 -3.146 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.681 -2.574 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.936 -0.705 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.514 -2.142 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.895 -1.968 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.304 -3.339 0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.713 -1.946 1.026 1.00 0.00 H new ATOM 569 N ASP A 40 -6.280 2.364 1.576 1.00 0.00 N ATOM 570 CA ASP A 40 -6.549 3.294 0.492 1.00 0.00 C ATOM 571 C ASP A 40 -5.509 4.416 0.519 1.00 0.00 C ATOM 572 O ASP A 40 -4.722 4.561 -0.416 1.00 0.00 O ATOM 573 CB ASP A 40 -7.933 3.928 0.640 1.00 0.00 C ATOM 574 CG ASP A 40 -8.259 5.016 -0.385 1.00 0.00 C ATOM 575 OD1 ASP A 40 -8.707 4.640 -1.489 1.00 0.00 O ATOM 576 OD2 ASP A 40 -8.054 6.200 -0.040 1.00 0.00 O ATOM 0 H ASP A 40 -7.097 2.107 2.130 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.505 2.740 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.685 3.143 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.015 4.355 1.639 1.00 0.00 H new ATOM 581 N ALA A 41 -5.539 5.181 1.600 1.00 0.00 N ATOM 582 CA ALA A 41 -4.609 6.286 1.761 1.00 0.00 C ATOM 583 C ALA A 41 -3.188 5.798 1.471 1.00 0.00 C ATOM 584 O ALA A 41 -2.390 6.518 0.874 1.00 0.00 O ATOM 585 CB ALA A 41 -4.749 6.871 3.168 1.00 0.00 C ATOM 0 H ALA A 41 -6.193 5.058 2.373 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.835 7.083 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.051 7.700 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.768 7.230 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.528 6.100 3.906 1.00 0.00 H new ATOM 591 N ALA A 42 -2.916 4.577 1.907 1.00 0.00 N ATOM 592 CA ALA A 42 -1.606 3.983 1.702 1.00 0.00 C ATOM 593 C ALA A 42 -1.372 3.780 0.204 1.00 0.00 C ATOM 594 O ALA A 42 -0.348 4.202 -0.331 1.00 0.00 O ATOM 595 CB ALA A 42 -1.508 2.675 2.490 1.00 0.00 C ATOM 0 H ALA A 42 -3.581 3.982 2.402 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.823 4.645 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.525 2.230 2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.652 2.878 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.277 1.984 2.145 1.00 0.00 H new ATOM 601 N ILE A 43 -2.338 3.133 -0.431 1.00 0.00 N ATOM 602 CA ILE A 43 -2.251 2.869 -1.857 1.00 0.00 C ATOM 603 C ILE A 43 -1.951 4.175 -2.596 1.00 0.00 C ATOM 604 O ILE A 43 -0.995 4.251 -3.367 1.00 0.00 O ATOM 605 CB ILE A 43 -3.514 2.160 -2.350 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.662 0.786 -1.693 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.532 2.070 -3.877 1.00 0.00 C ATOM 608 CD1 ILE A 43 -5.065 0.218 -1.921 1.00 0.00 C ATOM 0 H ILE A 43 -3.186 2.784 0.016 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.428 2.186 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.378 2.754 -2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.918 0.102 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.468 0.867 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.440 1.562 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.507 3.074 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.661 1.510 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.144 -0.759 -1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.805 0.893 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.246 0.115 -2.991 1.00 0.00 H new ATOM 620 N ASN A 44 -2.786 5.170 -2.336 1.00 0.00 N ATOM 621 CA ASN A 44 -2.622 6.469 -2.966 1.00 0.00 C ATOM 622 C ASN A 44 -1.180 6.943 -2.781 1.00 0.00 C ATOM 623 O ASN A 44 -0.559 7.436 -3.721 1.00 0.00 O ATOM 624 CB ASN A 44 -3.547 7.509 -2.332 1.00 0.00 C ATOM 625 CG ASN A 44 -3.396 8.868 -3.019 1.00 0.00 C ATOM 626 OD1 ASN A 44 -2.843 8.989 -4.100 1.00 0.00 O ATOM 627 ND2 ASN A 44 -3.917 9.882 -2.333 1.00 0.00 N ATOM 0 H ASN A 44 -3.578 5.103 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.868 6.364 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.582 7.173 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.318 7.606 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.867 10.830 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.366 9.712 -1.433 1.00 0.00 H new ATOM 634 N SER A 45 -0.688 6.777 -1.562 1.00 0.00 N ATOM 635 CA SER A 45 0.670 7.182 -1.240 1.00 0.00 C ATOM 636 C SER A 45 1.666 6.402 -2.101 1.00 0.00 C ATOM 637 O SER A 45 2.484 6.996 -2.802 1.00 0.00 O ATOM 638 CB SER A 45 0.972 6.969 0.244 1.00 0.00 C ATOM 639 OG SER A 45 1.390 8.173 0.882 1.00 0.00 O ATOM 0 H SER A 45 -1.206 6.367 -0.785 1.00 0.00 H new ATOM 0 HA SER A 45 0.769 8.246 -1.454 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.083 6.584 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.750 6.213 0.351 1.00 0.00 H new ATOM 0 HG SER A 45 1.572 7.996 1.829 1.00 0.00 H new ATOM 645 N LEU A 46 1.564 5.084 -2.021 1.00 0.00 N ATOM 646 CA LEU A 46 2.445 4.217 -2.784 1.00 0.00 C ATOM 647 C LEU A 46 2.322 4.553 -4.272 1.00 0.00 C ATOM 648 O LEU A 46 3.322 4.819 -4.936 1.00 0.00 O ATOM 649 CB LEU A 46 2.164 2.748 -2.461 1.00 0.00 C ATOM 650 CG LEU A 46 2.424 2.318 -1.015 1.00 0.00 C ATOM 651 CD1 LEU A 46 1.282 1.446 -0.489 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.781 1.624 -0.885 1.00 0.00 C ATOM 0 H LEU A 46 0.884 4.595 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 46 3.484 4.388 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.122 2.537 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.774 2.129 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 46 2.459 3.213 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.491 1.154 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.349 2.008 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.191 0.553 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.941 1.329 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.800 0.739 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.571 2.309 -1.193 1.00 0.00 H new ATOM 664 N LEU A 47 1.087 4.531 -4.750 1.00 0.00 N ATOM 665 CA LEU A 47 0.820 4.830 -6.147 1.00 0.00 C ATOM 666 C LEU A 47 1.699 6.001 -6.590 1.00 0.00 C ATOM 667 O LEU A 47 2.524 5.856 -7.491 1.00 0.00 O ATOM 668 CB LEU A 47 -0.676 5.066 -6.368 1.00 0.00 C ATOM 669 CG LEU A 47 -1.399 4.026 -7.226 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.846 4.446 -7.492 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.633 3.757 -8.523 1.00 0.00 C ATOM 0 H LEU A 47 0.260 4.311 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 47 1.081 3.979 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.165 5.108 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.805 6.044 -6.832 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.432 3.088 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.338 3.690 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.376 4.547 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.857 5.401 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.168 3.014 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.547 4.682 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.363 3.383 -8.286 1.00 0.00 H new ATOM 683 N GLN A 48 1.493 7.135 -5.936 1.00 0.00 N ATOM 684 CA GLN A 48 2.257 8.330 -6.252 1.00 0.00 C ATOM 685 C GLN A 48 3.755 8.059 -6.095 1.00 0.00 C ATOM 686 O GLN A 48 4.525 8.247 -7.035 1.00 0.00 O ATOM 687 CB GLN A 48 1.818 9.507 -5.379 1.00 0.00 C ATOM 688 CG GLN A 48 1.610 10.767 -6.222 1.00 0.00 C ATOM 689 CD GLN A 48 2.554 11.886 -5.778 1.00 0.00 C ATOM 690 OE1 GLN A 48 3.749 11.699 -5.619 1.00 0.00 O ATOM 691 NE2 GLN A 48 1.953 13.057 -5.588 1.00 0.00 N ATOM 0 H GLN A 48 0.808 7.251 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 48 2.063 8.598 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.893 9.255 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.570 9.697 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.782 10.538 -7.274 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.576 11.102 -6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.948 13.145 -5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.497 13.867 -5.291 1.00 0.00 H new ATOM 700 N MET A 49 4.123 7.623 -4.899 1.00 0.00 N ATOM 701 CA MET A 49 5.514 7.324 -4.607 1.00 0.00 C ATOM 702 C MET A 49 6.144 6.493 -5.726 1.00 0.00 C ATOM 703 O MET A 49 5.551 5.521 -6.191 1.00 0.00 O ATOM 704 CB MET A 49 5.606 6.556 -3.287 1.00 0.00 C ATOM 705 CG MET A 49 5.437 7.497 -2.092 1.00 0.00 C ATOM 706 SD MET A 49 6.967 7.604 -1.179 1.00 0.00 S ATOM 707 CE MET A 49 6.840 6.126 -0.186 1.00 0.00 C ATOM 0 H MET A 49 3.481 7.470 -4.121 1.00 0.00 H new ATOM 0 HA MET A 49 6.058 8.265 -4.529 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.838 5.783 -3.257 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.569 6.050 -3.223 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.140 8.487 -2.437 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.641 7.134 -1.442 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.721 6.038 0.449 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.948 6.182 0.437 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.773 5.255 -0.837 1.00 0.00 H new ATOM 717 N GLY A 50 7.337 6.906 -6.127 1.00 0.00 N ATOM 718 CA GLY A 50 8.054 6.212 -7.184 1.00 0.00 C ATOM 719 C GLY A 50 7.847 6.904 -8.533 1.00 0.00 C ATOM 720 O GLY A 50 7.143 7.909 -8.618 1.00 0.00 O ATOM 0 H GLY A 50 7.826 7.713 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.117 6.180 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.710 5.179 -7.244 1.00 0.00 H new ATOM 724 N GLU A 51 8.474 6.338 -9.554 1.00 0.00 N ATOM 725 CA GLU A 51 8.368 6.888 -10.894 1.00 0.00 C ATOM 726 C GLU A 51 7.260 6.176 -11.674 1.00 0.00 C ATOM 727 O GLU A 51 7.536 5.310 -12.501 1.00 0.00 O ATOM 728 CB GLU A 51 9.705 6.794 -11.633 1.00 0.00 C ATOM 729 CG GLU A 51 10.591 8.000 -11.318 1.00 0.00 C ATOM 730 CD GLU A 51 11.479 8.355 -12.512 1.00 0.00 C ATOM 731 OE1 GLU A 51 10.921 8.891 -13.494 1.00 0.00 O ATOM 732 OE2 GLU A 51 12.695 8.082 -12.417 1.00 0.00 O ATOM 0 H GLU A 51 9.057 5.504 -9.480 1.00 0.00 H new ATOM 0 HA GLU A 51 8.108 7.943 -10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.219 5.876 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.528 6.739 -12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.968 8.855 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.213 7.782 -10.450 1.00 0.00 H new ATOM 739 N GLU A 52 6.029 6.570 -11.381 1.00 0.00 N ATOM 740 CA GLU A 52 4.878 5.981 -12.044 1.00 0.00 C ATOM 741 C GLU A 52 5.110 5.917 -13.555 1.00 0.00 C ATOM 742 O GLU A 52 5.852 6.728 -14.107 1.00 0.00 O ATOM 743 CB GLU A 52 3.601 6.757 -11.718 1.00 0.00 C ATOM 744 CG GLU A 52 3.625 8.147 -12.358 1.00 0.00 C ATOM 745 CD GLU A 52 2.702 9.111 -11.611 1.00 0.00 C ATOM 746 OE1 GLU A 52 1.497 9.114 -11.941 1.00 0.00 O ATOM 747 OE2 GLU A 52 3.223 9.824 -10.726 1.00 0.00 O ATOM 0 H GLU A 52 5.804 7.289 -10.694 1.00 0.00 H new ATOM 0 HA GLU A 52 4.751 4.964 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.733 6.203 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.495 6.852 -10.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.643 8.536 -12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.316 8.076 -13.401 1.00 0.00 H new ATOM 754 N PRO A 53 4.446 4.920 -14.198 1.00 0.00 N ATOM 755 CA PRO A 53 4.573 4.740 -15.634 1.00 0.00 C ATOM 756 C PRO A 53 3.778 5.805 -16.392 1.00 0.00 C ATOM 757 O PRO A 53 2.894 5.479 -17.184 1.00 0.00 O ATOM 758 CB PRO A 53 4.076 3.328 -15.899 1.00 0.00 C ATOM 759 CG PRO A 53 3.259 2.937 -14.678 1.00 0.00 C ATOM 760 CD PRO A 53 3.559 3.941 -13.576 1.00 0.00 C ATOM 0 HA PRO A 53 5.598 4.859 -15.984 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.469 3.291 -16.803 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.910 2.642 -16.047 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.195 2.936 -14.915 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.514 1.928 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.646 4.410 -13.209 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.036 3.461 -12.722 1.00 0.00 H new ATOM 768 N SER A 54 4.121 7.056 -16.124 1.00 0.00 N ATOM 769 CA SER A 54 3.451 8.171 -16.771 1.00 0.00 C ATOM 770 C SER A 54 1.937 8.051 -16.586 1.00 0.00 C ATOM 771 O SER A 54 1.263 7.387 -17.372 1.00 0.00 O ATOM 772 CB SER A 54 3.800 8.235 -18.259 1.00 0.00 C ATOM 773 OG SER A 54 3.828 9.575 -18.744 1.00 0.00 O ATOM 0 H SER A 54 4.855 7.322 -15.467 1.00 0.00 H new ATOM 0 HA SER A 54 3.796 9.094 -16.304 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.772 7.770 -18.424 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.070 7.659 -18.828 1.00 0.00 H new ATOM 0 HG SER A 54 4.056 9.573 -19.697 1.00 0.00 H new ATOM 779 N GLY A 55 1.447 8.703 -15.542 1.00 0.00 N ATOM 780 CA GLY A 55 0.025 8.678 -15.244 1.00 0.00 C ATOM 781 C GLY A 55 -0.328 7.478 -14.362 1.00 0.00 C ATOM 782 O GLY A 55 0.470 7.063 -13.523 1.00 0.00 O ATOM 0 H GLY A 55 2.009 9.252 -14.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.261 9.601 -14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.544 8.632 -16.172 1.00 0.00 H new ATOM 786 N PRO A 56 -1.557 6.941 -14.589 1.00 0.00 N ATOM 787 CA PRO A 56 -2.026 5.797 -13.825 1.00 0.00 C ATOM 788 C PRO A 56 -1.340 4.510 -14.288 1.00 0.00 C ATOM 789 O PRO A 56 -0.535 4.531 -15.218 1.00 0.00 O ATOM 790 CB PRO A 56 -3.532 5.776 -14.033 1.00 0.00 C ATOM 791 CG PRO A 56 -3.794 6.620 -15.270 1.00 0.00 C ATOM 792 CD PRO A 56 -2.529 7.406 -15.574 1.00 0.00 C ATOM 0 HA PRO A 56 -1.785 5.871 -12.765 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.893 4.757 -14.172 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.052 6.183 -13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.062 5.986 -16.115 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.632 7.296 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.182 7.220 -16.591 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.699 8.479 -15.486 1.00 0.00 H new ATOM 800 N SER A 57 -1.684 3.420 -13.618 1.00 0.00 N ATOM 801 CA SER A 57 -1.112 2.126 -13.948 1.00 0.00 C ATOM 802 C SER A 57 -2.181 1.038 -13.839 1.00 0.00 C ATOM 803 O SER A 57 -2.439 0.317 -14.801 1.00 0.00 O ATOM 804 CB SER A 57 0.074 1.800 -13.038 1.00 0.00 C ATOM 805 OG SER A 57 0.649 0.533 -13.345 1.00 0.00 O ATOM 0 H SER A 57 -2.352 3.407 -12.848 1.00 0.00 H new ATOM 0 HA SER A 57 -0.747 2.165 -14.974 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.832 2.576 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.254 1.807 -11.998 1.00 0.00 H new ATOM 0 HG SER A 57 1.404 0.362 -12.744 1.00 0.00 H new ATOM 811 N SER A 58 -2.775 0.952 -12.657 1.00 0.00 N ATOM 812 CA SER A 58 -3.810 -0.036 -12.409 1.00 0.00 C ATOM 813 C SER A 58 -4.766 -0.102 -13.602 1.00 0.00 C ATOM 814 O SER A 58 -5.585 0.795 -13.796 1.00 0.00 O ATOM 815 CB SER A 58 -4.581 0.283 -11.127 1.00 0.00 C ATOM 816 OG SER A 58 -3.774 0.122 -9.964 1.00 0.00 O ATOM 0 H SER A 58 -2.558 1.551 -11.861 1.00 0.00 H new ATOM 0 HA SER A 58 -3.332 -1.007 -12.280 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.951 1.307 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.452 -0.368 -11.057 1.00 0.00 H new ATOM 0 HG SER A 58 -4.302 0.337 -9.167 1.00 0.00 H new ATOM 822 N GLY A 59 -4.631 -1.174 -14.369 1.00 0.00 N ATOM 823 CA GLY A 59 -5.473 -1.369 -15.537 1.00 0.00 C ATOM 824 C GLY A 59 -6.854 -1.892 -15.136 1.00 0.00 C ATOM 825 O GLY A 59 -7.052 -2.328 -14.003 1.00 0.00 O ATOM 0 H GLY A 59 -3.951 -1.916 -14.204 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.579 -0.427 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.997 -2.074 -16.219 1.00 0.00 H new TER 829 GLY A 59