USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.227 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 99:sc= 0.743 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.268 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ -108:sc= 0.602 (180deg=-2.66!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -20:sc= 0.949 USER MOD Single : A 51 SER OG : rot 180:sc= -0.309 USER MOD Single : A 56 SER OG : rot -132:sc= 1.07 USER MOD Single : A 57 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.47) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.202 (180deg=-0.746) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 54:sc= 0.0526 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.389 -0.438 -12.726 1.00 0.00 N ATOM 2 CA GLY A 1 23.935 -1.476 -13.582 1.00 0.00 C ATOM 3 C GLY A 1 23.276 -2.827 -13.295 1.00 0.00 C ATOM 4 O GLY A 1 22.164 -3.089 -13.753 1.00 0.00 O ATOM 0 H1 GLY A 1 23.852 0.468 -12.940 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.366 -0.352 -12.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.557 -0.686 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.782 -1.208 -14.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.011 -1.552 -13.426 1.00 0.00 H new ATOM 8 N SER A 2 23.989 -3.649 -12.540 1.00 0.00 N ATOM 9 CA SER A 2 23.487 -4.966 -12.186 1.00 0.00 C ATOM 10 C SER A 2 22.308 -4.835 -11.221 1.00 0.00 C ATOM 11 O SER A 2 22.492 -4.846 -10.005 1.00 0.00 O ATOM 12 CB SER A 2 24.588 -5.827 -11.565 1.00 0.00 C ATOM 13 OG SER A 2 24.884 -6.972 -12.360 1.00 0.00 O ATOM 0 H SER A 2 24.911 -3.429 -12.163 1.00 0.00 H new ATOM 0 HA SER A 2 23.149 -5.459 -13.098 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.490 -5.228 -11.442 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.280 -6.147 -10.570 1.00 0.00 H new ATOM 0 HG SER A 2 25.593 -7.494 -11.930 1.00 0.00 H new ATOM 19 N SER A 3 21.121 -4.713 -11.799 1.00 0.00 N ATOM 20 CA SER A 3 19.912 -4.580 -11.005 1.00 0.00 C ATOM 21 C SER A 3 18.713 -5.126 -11.782 1.00 0.00 C ATOM 22 O SER A 3 18.385 -4.626 -12.857 1.00 0.00 O ATOM 23 CB SER A 3 19.670 -3.121 -10.611 1.00 0.00 C ATOM 24 OG SER A 3 19.654 -2.258 -11.745 1.00 0.00 O ATOM 0 H SER A 3 20.972 -4.704 -12.808 1.00 0.00 H new ATOM 0 HA SER A 3 20.038 -5.159 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.721 -3.041 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.449 -2.798 -9.920 1.00 0.00 H new ATOM 0 HG SER A 3 19.225 -2.715 -12.498 1.00 0.00 H new ATOM 30 N GLY A 4 18.090 -6.145 -11.207 1.00 0.00 N ATOM 31 CA GLY A 4 16.934 -6.765 -11.833 1.00 0.00 C ATOM 32 C GLY A 4 15.820 -5.742 -12.060 1.00 0.00 C ATOM 33 O GLY A 4 15.873 -4.961 -13.009 1.00 0.00 O ATOM 0 H GLY A 4 18.364 -6.556 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.225 -7.208 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.566 -7.575 -11.204 1.00 0.00 H new ATOM 37 N SER A 5 14.837 -5.778 -11.172 1.00 0.00 N ATOM 38 CA SER A 5 13.711 -4.864 -11.264 1.00 0.00 C ATOM 39 C SER A 5 13.402 -4.274 -9.887 1.00 0.00 C ATOM 40 O SER A 5 12.852 -4.957 -9.024 1.00 0.00 O ATOM 41 CB SER A 5 12.475 -5.567 -11.830 1.00 0.00 C ATOM 42 OG SER A 5 11.429 -4.647 -12.131 1.00 0.00 O ATOM 0 H SER A 5 14.797 -6.426 -10.385 1.00 0.00 H new ATOM 0 HA SER A 5 13.981 -4.057 -11.946 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.750 -6.112 -12.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.115 -6.303 -11.111 1.00 0.00 H new ATOM 0 HG SER A 5 10.659 -5.134 -12.491 1.00 0.00 H new ATOM 48 N SER A 6 13.769 -3.012 -9.723 1.00 0.00 N ATOM 49 CA SER A 6 13.538 -2.322 -8.465 1.00 0.00 C ATOM 50 C SER A 6 12.744 -1.038 -8.710 1.00 0.00 C ATOM 51 O SER A 6 13.302 -0.033 -9.148 1.00 0.00 O ATOM 52 CB SER A 6 14.858 -2.004 -7.761 1.00 0.00 C ATOM 53 OG SER A 6 14.698 -1.893 -6.349 1.00 0.00 O ATOM 0 H SER A 6 14.225 -2.449 -10.441 1.00 0.00 H new ATOM 0 HA SER A 6 12.960 -2.980 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.585 -2.786 -7.983 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.263 -1.072 -8.154 1.00 0.00 H new ATOM 0 HG SER A 6 15.564 -1.691 -5.937 1.00 0.00 H new ATOM 59 N GLY A 7 11.454 -1.112 -8.417 1.00 0.00 N ATOM 60 CA GLY A 7 10.578 0.032 -8.601 1.00 0.00 C ATOM 61 C GLY A 7 9.632 0.195 -7.409 1.00 0.00 C ATOM 62 O GLY A 7 10.079 0.350 -6.273 1.00 0.00 O ATOM 0 H GLY A 7 10.994 -1.947 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.175 0.936 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.998 -0.093 -9.516 1.00 0.00 H new ATOM 66 N GLY A 8 8.342 0.155 -7.708 1.00 0.00 N ATOM 67 CA GLY A 8 7.330 0.296 -6.676 1.00 0.00 C ATOM 68 C GLY A 8 7.634 -0.611 -5.482 1.00 0.00 C ATOM 69 O GLY A 8 8.296 -1.636 -5.630 1.00 0.00 O ATOM 0 H GLY A 8 7.975 0.027 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.284 1.334 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.351 0.048 -7.086 1.00 0.00 H new ATOM 73 N GLU A 9 7.135 -0.200 -4.325 1.00 0.00 N ATOM 74 CA GLU A 9 7.345 -0.962 -3.106 1.00 0.00 C ATOM 75 C GLU A 9 6.037 -1.617 -2.658 1.00 0.00 C ATOM 76 O GLU A 9 5.047 -0.930 -2.413 1.00 0.00 O ATOM 77 CB GLU A 9 7.923 -0.079 -1.999 1.00 0.00 C ATOM 78 CG GLU A 9 9.408 0.201 -2.241 1.00 0.00 C ATOM 79 CD GLU A 9 9.632 1.657 -2.653 1.00 0.00 C ATOM 80 OE1 GLU A 9 8.974 2.078 -3.629 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.456 2.317 -1.983 1.00 0.00 O ATOM 0 H GLU A 9 6.586 0.651 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 9 8.071 -1.748 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.374 0.862 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.794 -0.568 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.975 -0.016 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.785 -0.463 -3.019 1.00 0.00 H new ATOM 88 N GLU A 10 6.075 -2.938 -2.565 1.00 0.00 N ATOM 89 CA GLU A 10 4.905 -3.694 -2.150 1.00 0.00 C ATOM 90 C GLU A 10 4.693 -3.558 -0.641 1.00 0.00 C ATOM 91 O GLU A 10 5.635 -3.705 0.137 1.00 0.00 O ATOM 92 CB GLU A 10 5.029 -5.163 -2.557 1.00 0.00 C ATOM 93 CG GLU A 10 4.961 -5.319 -4.077 1.00 0.00 C ATOM 94 CD GLU A 10 6.350 -5.187 -4.705 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.802 -4.030 -4.845 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.928 -6.247 -5.031 1.00 0.00 O ATOM 0 H GLU A 10 6.898 -3.505 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 10 4.032 -3.284 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.971 -5.568 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.230 -5.741 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.536 -6.291 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.296 -4.563 -4.494 1.00 0.00 H new ATOM 103 N TYR A 11 3.451 -3.280 -0.273 1.00 0.00 N ATOM 104 CA TYR A 11 3.104 -3.123 1.129 1.00 0.00 C ATOM 105 C TYR A 11 1.766 -3.796 1.441 1.00 0.00 C ATOM 106 O TYR A 11 0.872 -3.830 0.596 1.00 0.00 O ATOM 107 CB TYR A 11 2.971 -1.617 1.365 1.00 0.00 C ATOM 108 CG TYR A 11 4.263 -0.944 1.833 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.549 -0.863 3.181 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.142 -0.418 0.908 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.765 -0.230 3.622 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.357 0.215 1.349 1.00 0.00 C ATOM 113 CZ TYR A 11 6.609 0.278 2.684 1.00 0.00 C ATOM 114 OH TYR A 11 7.757 0.877 3.101 1.00 0.00 O ATOM 0 H TYR A 11 2.673 -3.159 -0.921 1.00 0.00 H new ATOM 0 HA TYR A 11 3.862 -3.580 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.640 -1.143 0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.193 -1.443 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.861 -1.274 3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.918 -0.481 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.001 -0.160 4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.053 0.631 0.636 1.00 0.00 H new ATOM 0 HH TYR A 11 8.263 1.192 2.323 1.00 0.00 H new ATOM 124 N ILE A 12 1.670 -4.315 2.657 1.00 0.00 N ATOM 125 CA ILE A 12 0.456 -4.985 3.090 1.00 0.00 C ATOM 126 C ILE A 12 -0.344 -4.047 3.996 1.00 0.00 C ATOM 127 O ILE A 12 0.232 -3.222 4.705 1.00 0.00 O ATOM 128 CB ILE A 12 0.789 -6.330 3.739 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.651 -7.188 2.811 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.484 -7.059 4.176 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.785 -8.128 1.971 1.00 0.00 C ATOM 0 H ILE A 12 2.413 -4.285 3.355 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.177 -5.218 2.233 1.00 0.00 H new ATOM 0 HB ILE A 12 1.375 -6.139 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.237 -6.544 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.359 -7.770 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.219 -8.012 4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.024 -6.447 4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.117 -7.238 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.423 -8.726 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.219 -8.787 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.095 -7.542 1.364 1.00 0.00 H new ATOM 143 N ALA A 13 -1.658 -4.204 3.944 1.00 0.00 N ATOM 144 CA ALA A 13 -2.543 -3.381 4.751 1.00 0.00 C ATOM 145 C ALA A 13 -2.737 -4.038 6.119 1.00 0.00 C ATOM 146 O ALA A 13 -3.366 -5.090 6.222 1.00 0.00 O ATOM 147 CB ALA A 13 -3.865 -3.174 4.010 1.00 0.00 C ATOM 0 H ALA A 13 -2.132 -4.889 3.355 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.106 -2.397 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.529 -2.557 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.675 -2.677 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.335 -4.140 3.827 1.00 0.00 H new ATOM 153 N LEU A 14 -2.185 -3.390 7.135 1.00 0.00 N ATOM 154 CA LEU A 14 -2.290 -3.899 8.492 1.00 0.00 C ATOM 155 C LEU A 14 -3.744 -3.802 8.958 1.00 0.00 C ATOM 156 O LEU A 14 -4.271 -4.736 9.560 1.00 0.00 O ATOM 157 CB LEU A 14 -1.301 -3.180 9.411 1.00 0.00 C ATOM 158 CG LEU A 14 0.179 -3.332 9.054 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.014 -2.221 9.693 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.694 -4.723 9.427 1.00 0.00 C ATOM 0 H LEU A 14 -1.664 -2.518 7.045 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.014 -4.953 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.546 -2.118 9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.448 -3.545 10.427 1.00 0.00 H new ATOM 0 HG LEU A 14 0.281 -3.231 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.062 -2.353 9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.666 -1.252 9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.910 -2.265 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.748 -4.804 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.576 -4.879 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.125 -5.479 8.885 1.00 0.00 H new ATOM 172 N TYR A 15 -4.352 -2.662 8.661 1.00 0.00 N ATOM 173 CA TYR A 15 -5.735 -2.431 9.042 1.00 0.00 C ATOM 174 C TYR A 15 -6.551 -1.913 7.855 1.00 0.00 C ATOM 175 O TYR A 15 -6.006 -1.285 6.949 1.00 0.00 O ATOM 176 CB TYR A 15 -5.699 -1.355 10.129 1.00 0.00 C ATOM 177 CG TYR A 15 -4.629 -1.586 11.198 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.897 -2.403 12.277 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.396 -0.978 11.082 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.890 -2.621 13.283 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.389 -1.195 12.088 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.685 -2.006 13.139 1.00 0.00 C ATOM 183 OH TYR A 15 -1.734 -2.211 14.089 1.00 0.00 O ATOM 0 H TYR A 15 -3.912 -1.889 8.161 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.198 -3.356 9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.527 -0.386 9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.675 -1.307 10.611 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.862 -2.879 12.367 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.186 -0.339 10.237 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.087 -3.258 14.132 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.420 -0.724 12.010 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.925 -1.710 13.855 1.00 0.00 H new ATOM 193 N PRO A 16 -7.879 -2.204 7.900 1.00 0.00 N ATOM 194 CA PRO A 16 -8.776 -1.775 6.840 1.00 0.00 C ATOM 195 C PRO A 16 -9.065 -0.276 6.941 1.00 0.00 C ATOM 196 O PRO A 16 -9.714 0.172 7.885 1.00 0.00 O ATOM 197 CB PRO A 16 -10.019 -2.633 7.006 1.00 0.00 C ATOM 198 CG PRO A 16 -9.963 -3.179 8.423 1.00 0.00 C ATOM 199 CD PRO A 16 -8.559 -2.947 8.957 1.00 0.00 C ATOM 0 HA PRO A 16 -8.348 -1.907 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.923 -2.045 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.035 -3.442 6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.699 -2.680 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.204 -4.242 8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.578 -2.382 9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.054 -3.890 9.166 1.00 0.00 H new ATOM 207 N TYR A 17 -8.570 0.457 5.955 1.00 0.00 N ATOM 208 CA TYR A 17 -8.768 1.896 5.920 1.00 0.00 C ATOM 209 C TYR A 17 -9.788 2.284 4.847 1.00 0.00 C ATOM 210 O TYR A 17 -9.553 2.076 3.658 1.00 0.00 O ATOM 211 CB TYR A 17 -7.410 2.500 5.557 1.00 0.00 C ATOM 212 CG TYR A 17 -7.399 4.029 5.519 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.271 4.748 6.690 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.516 4.690 4.313 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.261 6.188 6.654 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.506 6.129 4.277 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.379 6.807 5.449 1.00 0.00 C ATOM 218 OH TYR A 17 -7.369 8.167 5.415 1.00 0.00 O ATOM 0 H TYR A 17 -8.032 0.081 5.174 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.143 2.255 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.668 2.159 6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.104 2.120 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.178 4.231 7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.615 4.128 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.162 6.763 7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.597 6.658 3.340 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.472 8.482 5.175 1.00 0.00 H new ATOM 228 N SER A 18 -10.899 2.841 5.306 1.00 0.00 N ATOM 229 CA SER A 18 -11.955 3.260 4.401 1.00 0.00 C ATOM 230 C SER A 18 -12.099 4.783 4.433 1.00 0.00 C ATOM 231 O SER A 18 -11.848 5.412 5.460 1.00 0.00 O ATOM 232 CB SER A 18 -13.285 2.594 4.761 1.00 0.00 C ATOM 233 OG SER A 18 -13.738 2.972 6.058 1.00 0.00 O ATOM 0 H SER A 18 -11.091 3.012 6.293 1.00 0.00 H new ATOM 0 HA SER A 18 -11.684 2.948 3.392 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.038 2.865 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.171 1.511 4.718 1.00 0.00 H new ATOM 0 HG SER A 18 -14.590 2.527 6.249 1.00 0.00 H new ATOM 239 N SER A 19 -12.501 5.331 3.296 1.00 0.00 N ATOM 240 CA SER A 19 -12.681 6.768 3.181 1.00 0.00 C ATOM 241 C SER A 19 -13.275 7.114 1.814 1.00 0.00 C ATOM 242 O SER A 19 -12.630 6.917 0.785 1.00 0.00 O ATOM 243 CB SER A 19 -11.357 7.507 3.386 1.00 0.00 C ATOM 244 OG SER A 19 -11.524 8.700 4.148 1.00 0.00 O ATOM 0 H SER A 19 -12.707 4.806 2.446 1.00 0.00 H new ATOM 0 HA SER A 19 -13.371 7.089 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.650 6.850 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.926 7.754 2.416 1.00 0.00 H new ATOM 0 HG SER A 19 -10.656 9.142 4.258 1.00 0.00 H new ATOM 250 N VAL A 20 -14.498 7.623 1.847 1.00 0.00 N ATOM 251 CA VAL A 20 -15.186 7.997 0.623 1.00 0.00 C ATOM 252 C VAL A 20 -14.628 9.329 0.117 1.00 0.00 C ATOM 253 O VAL A 20 -15.371 10.296 -0.045 1.00 0.00 O ATOM 254 CB VAL A 20 -16.697 8.034 0.863 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.236 6.638 1.177 1.00 0.00 C ATOM 256 CG2 VAL A 20 -17.051 9.023 1.976 1.00 0.00 C ATOM 0 H VAL A 20 -15.030 7.785 2.702 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.012 7.255 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.174 8.378 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.312 6.692 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.032 5.972 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.749 6.253 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.131 9.030 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.558 8.722 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.717 10.022 1.695 1.00 0.00 H new ATOM 266 N GLU A 21 -13.324 9.336 -0.119 1.00 0.00 N ATOM 267 CA GLU A 21 -12.658 10.533 -0.604 1.00 0.00 C ATOM 268 C GLU A 21 -12.119 10.305 -2.018 1.00 0.00 C ATOM 269 O GLU A 21 -11.469 9.295 -2.283 1.00 0.00 O ATOM 270 CB GLU A 21 -11.539 10.961 0.347 1.00 0.00 C ATOM 271 CG GLU A 21 -12.095 11.779 1.515 1.00 0.00 C ATOM 272 CD GLU A 21 -11.779 13.266 1.343 1.00 0.00 C ATOM 273 OE1 GLU A 21 -12.300 13.848 0.367 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.023 13.787 2.191 1.00 0.00 O ATOM 0 H GLU A 21 -12.711 8.532 0.017 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.388 11.342 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.024 10.079 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.801 11.551 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.174 11.638 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.669 11.419 2.451 1.00 0.00 H new ATOM 281 N PRO A 22 -12.417 11.286 -2.912 1.00 0.00 N ATOM 282 CA PRO A 22 -11.970 11.202 -4.292 1.00 0.00 C ATOM 283 C PRO A 22 -10.475 11.507 -4.403 1.00 0.00 C ATOM 284 O PRO A 22 -10.066 12.339 -5.211 1.00 0.00 O ATOM 285 CB PRO A 22 -12.837 12.196 -5.048 1.00 0.00 C ATOM 286 CG PRO A 22 -13.413 13.130 -3.996 1.00 0.00 C ATOM 287 CD PRO A 22 -13.185 12.496 -2.634 1.00 0.00 C ATOM 0 HA PRO A 22 -12.079 10.201 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.249 12.748 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.630 11.686 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.931 14.106 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.477 13.290 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.640 13.168 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.130 12.261 -2.143 1.00 0.00 H new ATOM 295 N GLY A 23 -9.700 10.817 -3.579 1.00 0.00 N ATOM 296 CA GLY A 23 -8.259 11.004 -3.575 1.00 0.00 C ATOM 297 C GLY A 23 -7.573 9.956 -2.696 1.00 0.00 C ATOM 298 O GLY A 23 -6.502 9.458 -3.039 1.00 0.00 O ATOM 0 H GLY A 23 -10.043 10.128 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.877 10.936 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.019 12.003 -3.211 1.00 0.00 H new ATOM 302 N ASP A 24 -8.218 9.653 -1.579 1.00 0.00 N ATOM 303 CA ASP A 24 -7.684 8.673 -0.649 1.00 0.00 C ATOM 304 C ASP A 24 -7.967 7.266 -1.178 1.00 0.00 C ATOM 305 O ASP A 24 -9.098 6.953 -1.545 1.00 0.00 O ATOM 306 CB ASP A 24 -8.343 8.803 0.726 1.00 0.00 C ATOM 307 CG ASP A 24 -8.164 10.163 1.404 1.00 0.00 C ATOM 308 OD1 ASP A 24 -8.469 11.174 0.735 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.726 10.160 2.574 1.00 0.00 O ATOM 0 H ASP A 24 -9.106 10.069 -1.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.612 8.848 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.410 8.604 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.938 8.032 1.381 1.00 0.00 H new ATOM 314 N LEU A 25 -6.919 6.455 -1.200 1.00 0.00 N ATOM 315 CA LEU A 25 -7.041 5.088 -1.678 1.00 0.00 C ATOM 316 C LEU A 25 -7.737 4.240 -0.612 1.00 0.00 C ATOM 317 O LEU A 25 -7.265 4.149 0.520 1.00 0.00 O ATOM 318 CB LEU A 25 -5.674 4.545 -2.100 1.00 0.00 C ATOM 319 CG LEU A 25 -5.686 3.215 -2.857 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.143 3.411 -4.303 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.322 2.525 -2.774 1.00 0.00 C ATOM 0 H LEU A 25 -5.982 6.718 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.664 5.051 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.186 5.292 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.060 4.427 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.410 2.556 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.142 2.450 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.150 3.827 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.463 4.095 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.357 1.582 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.561 3.170 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.075 2.331 -1.730 1.00 0.00 H new ATOM 333 N THR A 26 -8.849 3.640 -1.012 1.00 0.00 N ATOM 334 CA THR A 26 -9.615 2.802 -0.105 1.00 0.00 C ATOM 335 C THR A 26 -9.175 1.342 -0.228 1.00 0.00 C ATOM 336 O THR A 26 -9.176 0.780 -1.322 1.00 0.00 O ATOM 337 CB THR A 26 -11.100 3.016 -0.404 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.206 2.802 -1.809 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.531 4.472 -0.216 1.00 0.00 C ATOM 0 H THR A 26 -9.238 3.718 -1.952 1.00 0.00 H new ATOM 0 HA THR A 26 -9.435 3.077 0.934 1.00 0.00 H new ATOM 0 HB THR A 26 -11.697 2.374 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.502 2.186 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.593 4.569 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.349 4.775 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.958 5.111 -0.888 1.00 0.00 H new ATOM 347 N PHE A 27 -8.810 0.769 0.909 1.00 0.00 N ATOM 348 CA PHE A 27 -8.369 -0.615 0.943 1.00 0.00 C ATOM 349 C PHE A 27 -8.692 -1.261 2.292 1.00 0.00 C ATOM 350 O PHE A 27 -9.003 -0.566 3.258 1.00 0.00 O ATOM 351 CB PHE A 27 -6.851 -0.605 0.746 1.00 0.00 C ATOM 352 CG PHE A 27 -6.104 0.317 1.712 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.675 -0.158 2.911 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.870 1.613 1.371 1.00 0.00 C ATOM 355 CE1 PHE A 27 -4.981 0.697 3.808 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.177 2.469 2.267 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.747 1.993 3.466 1.00 0.00 C ATOM 0 H PHE A 27 -8.811 1.238 1.815 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.877 -1.187 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.473 -1.621 0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.630 -0.299 -0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.862 -1.187 3.182 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.211 1.991 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.639 0.319 4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.991 3.498 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.219 2.644 4.147 1.00 0.00 H new ATOM 367 N THR A 28 -8.607 -2.583 2.314 1.00 0.00 N ATOM 368 CA THR A 28 -8.887 -3.331 3.528 1.00 0.00 C ATOM 369 C THR A 28 -7.614 -4.002 4.046 1.00 0.00 C ATOM 370 O THR A 28 -6.572 -3.952 3.394 1.00 0.00 O ATOM 371 CB THR A 28 -10.016 -4.318 3.225 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.684 -4.841 1.941 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.361 -3.623 3.008 1.00 0.00 C ATOM 0 H THR A 28 -8.348 -3.155 1.510 1.00 0.00 H new ATOM 0 HA THR A 28 -9.219 -2.673 4.331 1.00 0.00 H new ATOM 0 HB THR A 28 -10.105 -5.030 4.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.364 -5.492 1.667 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.126 -4.370 2.797 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.633 -3.069 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.283 -2.935 2.166 1.00 0.00 H new ATOM 381 N GLU A 29 -7.740 -4.616 5.213 1.00 0.00 N ATOM 382 CA GLU A 29 -6.612 -5.297 5.826 1.00 0.00 C ATOM 383 C GLU A 29 -6.271 -6.567 5.045 1.00 0.00 C ATOM 384 O GLU A 29 -7.150 -7.378 4.757 1.00 0.00 O ATOM 385 CB GLU A 29 -6.897 -5.617 7.295 1.00 0.00 C ATOM 386 CG GLU A 29 -5.979 -6.731 7.802 1.00 0.00 C ATOM 387 CD GLU A 29 -6.731 -8.060 7.895 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.753 -8.085 8.614 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.266 -9.022 7.246 1.00 0.00 O ATOM 0 H GLU A 29 -8.606 -4.656 5.751 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.750 -4.631 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.756 -4.721 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.938 -5.918 7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.126 -6.838 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.583 -6.464 8.782 1.00 0.00 H new ATOM 396 N GLY A 30 -4.992 -6.701 4.724 1.00 0.00 N ATOM 397 CA GLY A 30 -4.524 -7.859 3.982 1.00 0.00 C ATOM 398 C GLY A 30 -4.257 -7.501 2.518 1.00 0.00 C ATOM 399 O GLY A 30 -3.417 -8.119 1.867 1.00 0.00 O ATOM 0 H GLY A 30 -4.266 -6.026 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.612 -8.243 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.267 -8.655 4.036 1.00 0.00 H new ATOM 403 N GLU A 31 -4.988 -6.503 2.044 1.00 0.00 N ATOM 404 CA GLU A 31 -4.841 -6.055 0.669 1.00 0.00 C ATOM 405 C GLU A 31 -3.377 -5.720 0.374 1.00 0.00 C ATOM 406 O GLU A 31 -2.590 -5.497 1.293 1.00 0.00 O ATOM 407 CB GLU A 31 -5.746 -4.855 0.384 1.00 0.00 C ATOM 408 CG GLU A 31 -7.083 -5.306 -0.209 1.00 0.00 C ATOM 409 CD GLU A 31 -7.047 -5.263 -1.738 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.664 -6.298 -2.326 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.403 -4.197 -2.284 1.00 0.00 O ATOM 0 H GLU A 31 -5.684 -5.992 2.587 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.149 -6.865 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.921 -4.300 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.248 -4.175 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.310 -6.319 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.883 -4.663 0.158 1.00 0.00 H new ATOM 418 N GLU A 32 -3.056 -5.695 -0.911 1.00 0.00 N ATOM 419 CA GLU A 32 -1.702 -5.391 -1.339 1.00 0.00 C ATOM 420 C GLU A 32 -1.658 -4.030 -2.037 1.00 0.00 C ATOM 421 O GLU A 32 -2.061 -3.909 -3.193 1.00 0.00 O ATOM 422 CB GLU A 32 -1.154 -6.492 -2.248 1.00 0.00 C ATOM 423 CG GLU A 32 -0.045 -7.281 -1.548 1.00 0.00 C ATOM 424 CD GLU A 32 0.484 -8.399 -2.448 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.097 -8.054 -3.482 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.265 -9.574 -2.082 1.00 0.00 O ATOM 0 H GLU A 32 -3.711 -5.881 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.065 -5.344 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.961 -7.167 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.767 -6.051 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.770 -6.609 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.427 -7.706 -0.620 1.00 0.00 H new ATOM 433 N ILE A 33 -1.165 -3.041 -1.306 1.00 0.00 N ATOM 434 CA ILE A 33 -1.064 -1.694 -1.841 1.00 0.00 C ATOM 435 C ILE A 33 0.337 -1.483 -2.418 1.00 0.00 C ATOM 436 O ILE A 33 1.333 -1.647 -1.715 1.00 0.00 O ATOM 437 CB ILE A 33 -1.453 -0.665 -0.778 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.916 -0.831 -0.364 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.150 0.757 -1.255 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.099 -0.550 1.129 1.00 0.00 C ATOM 0 H ILE A 33 -0.831 -3.146 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.770 -1.555 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.845 -0.844 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.541 -0.153 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.249 -1.844 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.436 1.469 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.084 0.853 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.714 0.964 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.148 -0.675 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.491 -1.246 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.788 0.472 1.348 1.00 0.00 H new ATOM 452 N LEU A 34 0.370 -1.122 -3.693 1.00 0.00 N ATOM 453 CA LEU A 34 1.633 -0.887 -4.372 1.00 0.00 C ATOM 454 C LEU A 34 1.976 0.602 -4.299 1.00 0.00 C ATOM 455 O LEU A 34 1.412 1.410 -5.036 1.00 0.00 O ATOM 456 CB LEU A 34 1.585 -1.438 -5.798 1.00 0.00 C ATOM 457 CG LEU A 34 2.852 -1.246 -6.634 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.061 -1.887 -5.952 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.653 -1.769 -8.058 1.00 0.00 C ATOM 0 H LEU A 34 -0.458 -0.987 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 34 2.440 -1.425 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.365 -2.504 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.753 -0.966 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 34 3.054 -0.177 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.948 -1.736 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.214 -1.427 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.884 -2.955 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.568 -1.621 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.414 -2.832 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.835 -1.228 -8.534 1.00 0.00 H new ATOM 471 N VAL A 35 2.900 0.921 -3.404 1.00 0.00 N ATOM 472 CA VAL A 35 3.326 2.298 -3.226 1.00 0.00 C ATOM 473 C VAL A 35 4.352 2.654 -4.304 1.00 0.00 C ATOM 474 O VAL A 35 5.217 1.845 -4.633 1.00 0.00 O ATOM 475 CB VAL A 35 3.856 2.503 -1.805 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.147 3.980 -1.536 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.881 1.938 -0.770 1.00 0.00 C ATOM 0 H VAL A 35 3.365 0.249 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 35 2.481 2.977 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 35 4.794 1.956 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.522 4.098 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.896 4.338 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.231 4.559 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.281 2.096 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.920 2.444 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.746 0.870 -0.942 1.00 0.00 H new ATOM 487 N THR A 36 4.221 3.866 -4.823 1.00 0.00 N ATOM 488 CA THR A 36 5.125 4.339 -5.857 1.00 0.00 C ATOM 489 C THR A 36 5.666 5.725 -5.499 1.00 0.00 C ATOM 490 O THR A 36 6.858 5.989 -5.650 1.00 0.00 O ATOM 491 CB THR A 36 4.378 4.305 -7.191 1.00 0.00 C ATOM 492 OG1 THR A 36 3.326 5.251 -7.025 1.00 0.00 O ATOM 493 CG2 THR A 36 3.653 2.978 -7.422 1.00 0.00 C ATOM 0 H THR A 36 3.502 4.535 -4.546 1.00 0.00 H new ATOM 0 HA THR A 36 6.000 3.694 -5.942 1.00 0.00 H new ATOM 0 HB THR A 36 5.081 4.481 -8.005 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.792 5.294 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.139 3.007 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.377 2.163 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.926 2.817 -6.626 1.00 0.00 H new ATOM 501 N GLN A 37 4.763 6.575 -5.031 1.00 0.00 N ATOM 502 CA GLN A 37 5.135 7.927 -4.650 1.00 0.00 C ATOM 503 C GLN A 37 4.969 8.118 -3.141 1.00 0.00 C ATOM 504 O GLN A 37 3.899 7.861 -2.593 1.00 0.00 O ATOM 505 CB GLN A 37 4.315 8.960 -5.427 1.00 0.00 C ATOM 506 CG GLN A 37 5.227 9.978 -6.114 1.00 0.00 C ATOM 507 CD GLN A 37 4.448 11.236 -6.504 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.232 11.294 -6.424 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.214 12.236 -6.930 1.00 0.00 N ATOM 0 H GLN A 37 3.775 6.353 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 37 6.184 8.079 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.700 8.456 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.635 9.475 -4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.047 10.246 -5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.672 9.531 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.227 12.121 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.789 13.119 -7.214 1.00 0.00 H new ATOM 518 N LYS A 38 6.046 8.567 -2.512 1.00 0.00 N ATOM 519 CA LYS A 38 6.033 8.796 -1.078 1.00 0.00 C ATOM 520 C LYS A 38 6.229 10.288 -0.801 1.00 0.00 C ATOM 521 O LYS A 38 7.346 10.797 -0.886 1.00 0.00 O ATOM 522 CB LYS A 38 7.063 7.901 -0.384 1.00 0.00 C ATOM 523 CG LYS A 38 6.911 6.445 -0.827 1.00 0.00 C ATOM 524 CD LYS A 38 7.687 5.506 0.099 1.00 0.00 C ATOM 525 CE LYS A 38 8.074 4.216 -0.627 1.00 0.00 C ATOM 526 NZ LYS A 38 9.240 4.448 -1.509 1.00 0.00 N ATOM 0 H LYS A 38 6.933 8.778 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 38 5.067 8.518 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.069 8.252 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.941 7.971 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.856 6.170 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.271 6.333 -1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.585 6.007 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.080 5.268 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.309 3.439 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.231 3.856 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.932 4.434 -2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.662 5.373 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.946 3.700 -1.355 1.00 0.00 H new ATOM 540 N ASP A 39 5.127 10.946 -0.476 1.00 0.00 N ATOM 541 CA ASP A 39 5.163 12.370 -0.187 1.00 0.00 C ATOM 542 C ASP A 39 4.906 12.589 1.305 1.00 0.00 C ATOM 543 O ASP A 39 3.766 12.507 1.761 1.00 0.00 O ATOM 544 CB ASP A 39 4.082 13.119 -0.969 1.00 0.00 C ATOM 545 CG ASP A 39 4.599 13.987 -2.117 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.971 15.145 -1.830 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.610 13.473 -3.257 1.00 0.00 O ATOM 0 H ASP A 39 4.203 10.520 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 39 6.143 12.748 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.377 12.392 -1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.527 13.752 -0.277 1.00 0.00 H new ATOM 552 N GLY A 40 5.983 12.865 2.025 1.00 0.00 N ATOM 553 CA GLY A 40 5.888 13.097 3.456 1.00 0.00 C ATOM 554 C GLY A 40 5.606 11.794 4.205 1.00 0.00 C ATOM 555 O GLY A 40 6.225 10.768 3.929 1.00 0.00 O ATOM 0 H GLY A 40 6.927 12.933 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.817 13.536 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.095 13.817 3.659 1.00 0.00 H new ATOM 559 N GLU A 41 4.669 11.876 5.139 1.00 0.00 N ATOM 560 CA GLU A 41 4.297 10.716 5.930 1.00 0.00 C ATOM 561 C GLU A 41 3.346 9.817 5.138 1.00 0.00 C ATOM 562 O GLU A 41 3.496 8.596 5.138 1.00 0.00 O ATOM 563 CB GLU A 41 3.672 11.138 7.261 1.00 0.00 C ATOM 564 CG GLU A 41 4.401 10.488 8.440 1.00 0.00 C ATOM 565 CD GLU A 41 3.796 10.935 9.772 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.449 12.132 9.864 1.00 0.00 O ATOM 567 OE2 GLU A 41 3.695 10.070 10.668 1.00 0.00 O ATOM 0 H GLU A 41 4.157 12.728 5.365 1.00 0.00 H new ATOM 0 HA GLU A 41 5.200 10.148 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.712 12.223 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.620 10.855 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.342 9.403 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.458 10.753 8.409 1.00 0.00 H new ATOM 574 N TRP A 42 2.388 10.455 4.482 1.00 0.00 N ATOM 575 CA TRP A 42 1.412 9.728 3.688 1.00 0.00 C ATOM 576 C TRP A 42 1.989 9.544 2.283 1.00 0.00 C ATOM 577 O TRP A 42 2.454 10.502 1.668 1.00 0.00 O ATOM 578 CB TRP A 42 0.060 10.445 3.689 1.00 0.00 C ATOM 579 CG TRP A 42 -0.717 10.304 5.000 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.249 10.405 6.251 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.127 10.031 5.138 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.251 10.218 7.182 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.429 9.983 6.483 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.116 9.831 4.158 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.718 9.737 6.972 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.398 9.586 4.662 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.719 9.535 6.014 1.00 0.00 C ATOM 0 H TRP A 42 2.267 11.468 4.484 1.00 0.00 H new ATOM 0 HA TRP A 42 1.220 8.745 4.118 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.221 11.504 3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.548 10.053 2.874 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.782 10.607 6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.146 10.247 8.196 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.903 9.864 3.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.929 9.705 8.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.195 9.425 3.951 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.735 9.341 6.324 1.00 0.00 H new ATOM 598 N TRP A 43 1.941 8.305 1.816 1.00 0.00 N ATOM 599 CA TRP A 43 2.453 7.982 0.495 1.00 0.00 C ATOM 600 C TRP A 43 1.265 7.620 -0.398 1.00 0.00 C ATOM 601 O TRP A 43 0.168 7.363 0.097 1.00 0.00 O ATOM 602 CB TRP A 43 3.504 6.873 0.570 1.00 0.00 C ATOM 603 CG TRP A 43 4.529 7.062 1.690 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.970 8.211 2.220 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.228 6.018 2.402 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.898 7.985 3.217 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.059 6.610 3.330 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.159 4.621 2.265 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.885 5.880 4.194 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.990 3.906 3.135 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.833 4.486 4.076 1.00 0.00 C ATOM 0 H TRP A 43 1.555 7.512 2.329 1.00 0.00 H new ATOM 0 HA TRP A 43 2.966 8.840 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.999 5.917 0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.029 6.819 -0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.641 9.191 1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.377 8.697 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.515 4.137 1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.528 6.366 4.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.975 2.828 3.071 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.445 3.864 4.713 1.00 0.00 H new ATOM 622 N THR A 44 1.523 7.610 -1.697 1.00 0.00 N ATOM 623 CA THR A 44 0.488 7.284 -2.663 1.00 0.00 C ATOM 624 C THR A 44 0.572 5.807 -3.056 1.00 0.00 C ATOM 625 O THR A 44 1.559 5.374 -3.648 1.00 0.00 O ATOM 626 CB THR A 44 0.631 8.238 -3.851 1.00 0.00 C ATOM 627 OG1 THR A 44 0.080 9.464 -3.379 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.270 7.851 -5.025 1.00 0.00 C ATOM 0 H THR A 44 2.434 7.822 -2.103 1.00 0.00 H new ATOM 0 HA THR A 44 -0.506 7.419 -2.238 1.00 0.00 H new ATOM 0 HB THR A 44 1.670 8.253 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.133 10.140 -4.086 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.129 8.560 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.012 6.849 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.312 7.868 -4.705 1.00 0.00 H new ATOM 636 N GLY A 45 -0.477 5.075 -2.711 1.00 0.00 N ATOM 637 CA GLY A 45 -0.535 3.657 -3.020 1.00 0.00 C ATOM 638 C GLY A 45 -1.309 3.409 -4.316 1.00 0.00 C ATOM 639 O GLY A 45 -1.905 4.330 -4.873 1.00 0.00 O ATOM 0 H GLY A 45 -1.294 5.438 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.476 3.260 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.012 3.122 -2.199 1.00 0.00 H new ATOM 643 N SER A 46 -1.276 2.160 -4.758 1.00 0.00 N ATOM 644 CA SER A 46 -1.968 1.780 -5.978 1.00 0.00 C ATOM 645 C SER A 46 -2.471 0.339 -5.866 1.00 0.00 C ATOM 646 O SER A 46 -1.819 -0.504 -5.252 1.00 0.00 O ATOM 647 CB SER A 46 -1.057 1.931 -7.197 1.00 0.00 C ATOM 648 OG SER A 46 -1.786 2.301 -8.365 1.00 0.00 O ATOM 0 H SER A 46 -0.781 1.399 -4.293 1.00 0.00 H new ATOM 0 HA SER A 46 -2.820 2.447 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.297 2.684 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.535 0.992 -7.378 1.00 0.00 H new ATOM 0 HG SER A 46 -2.734 2.085 -8.241 1.00 0.00 H new ATOM 654 N ILE A 47 -3.626 0.101 -6.470 1.00 0.00 N ATOM 655 CA ILE A 47 -4.224 -1.223 -6.446 1.00 0.00 C ATOM 656 C ILE A 47 -4.794 -1.545 -7.829 1.00 0.00 C ATOM 657 O ILE A 47 -5.782 -0.946 -8.252 1.00 0.00 O ATOM 658 CB ILE A 47 -5.252 -1.327 -5.318 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.599 -1.078 -3.956 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.985 -2.669 -5.365 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.655 -0.945 -2.857 1.00 0.00 C ATOM 0 H ILE A 47 -4.164 0.803 -6.979 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.469 -1.978 -6.228 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.999 -0.547 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.923 -1.899 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.997 -0.171 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.710 -2.716 -4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.503 -2.768 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.265 -3.481 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.164 -0.769 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.315 -0.108 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.240 -1.863 -2.801 1.00 0.00 H new ATOM 673 N GLY A 48 -4.148 -2.491 -8.495 1.00 0.00 N ATOM 674 CA GLY A 48 -4.578 -2.900 -9.821 1.00 0.00 C ATOM 675 C GLY A 48 -4.418 -1.757 -10.826 1.00 0.00 C ATOM 676 O GLY A 48 -3.544 -1.804 -11.690 1.00 0.00 O ATOM 0 H GLY A 48 -3.330 -2.986 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.994 -3.760 -10.147 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.620 -3.217 -9.788 1.00 0.00 H new ATOM 680 N ASP A 49 -5.276 -0.758 -10.679 1.00 0.00 N ATOM 681 CA ASP A 49 -5.240 0.394 -11.563 1.00 0.00 C ATOM 682 C ASP A 49 -5.828 1.607 -10.838 1.00 0.00 C ATOM 683 O ASP A 49 -6.311 2.541 -11.475 1.00 0.00 O ATOM 684 CB ASP A 49 -6.073 0.148 -12.823 1.00 0.00 C ATOM 685 CG ASP A 49 -5.308 -0.474 -13.993 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.653 0.304 -14.720 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.395 -1.713 -14.133 1.00 0.00 O ATOM 0 H ASP A 49 -6.000 -0.723 -9.961 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.202 0.570 -11.845 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.908 -0.504 -12.567 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.498 1.097 -13.150 1.00 0.00 H new ATOM 692 N ARG A 50 -5.767 1.552 -9.516 1.00 0.00 N ATOM 693 CA ARG A 50 -6.287 2.633 -8.697 1.00 0.00 C ATOM 694 C ARG A 50 -5.139 3.392 -8.028 1.00 0.00 C ATOM 695 O ARG A 50 -4.058 2.839 -7.828 1.00 0.00 O ATOM 696 CB ARG A 50 -7.234 2.102 -7.619 1.00 0.00 C ATOM 697 CG ARG A 50 -8.355 1.265 -8.239 1.00 0.00 C ATOM 698 CD ARG A 50 -9.344 0.795 -7.170 1.00 0.00 C ATOM 699 NE ARG A 50 -9.397 -0.683 -7.145 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.206 -1.393 -6.345 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.033 -0.763 -5.500 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.187 -2.732 -6.391 1.00 0.00 N ATOM 0 H ARG A 50 -5.365 0.775 -8.991 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.841 3.307 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.675 1.497 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.663 2.936 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.880 1.854 -8.991 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.929 0.402 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.043 1.173 -6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.335 1.199 -7.377 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.780 -1.194 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.047 0.256 -5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.648 -1.303 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.557 -3.211 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.802 -3.272 -5.783 1.00 0.00 H new ATOM 716 N SER A 51 -5.412 4.646 -7.700 1.00 0.00 N ATOM 717 CA SER A 51 -4.415 5.486 -7.057 1.00 0.00 C ATOM 718 C SER A 51 -5.074 6.346 -5.977 1.00 0.00 C ATOM 719 O SER A 51 -6.295 6.486 -5.949 1.00 0.00 O ATOM 720 CB SER A 51 -3.700 6.372 -8.079 1.00 0.00 C ATOM 721 OG SER A 51 -3.303 7.620 -7.518 1.00 0.00 O ATOM 0 H SER A 51 -6.309 5.101 -7.867 1.00 0.00 H new ATOM 0 HA SER A 51 -3.670 4.840 -6.593 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.822 5.850 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.359 6.550 -8.929 1.00 0.00 H new ATOM 0 HG SER A 51 -2.849 8.156 -8.201 1.00 0.00 H new ATOM 727 N GLY A 52 -4.235 6.901 -5.115 1.00 0.00 N ATOM 728 CA GLY A 52 -4.720 7.744 -4.036 1.00 0.00 C ATOM 729 C GLY A 52 -3.681 7.858 -2.919 1.00 0.00 C ATOM 730 O GLY A 52 -2.551 7.393 -3.067 1.00 0.00 O ATOM 0 H GLY A 52 -3.222 6.783 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.954 8.736 -4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.646 7.331 -3.635 1.00 0.00 H new ATOM 734 N ILE A 53 -4.099 8.478 -1.825 1.00 0.00 N ATOM 735 CA ILE A 53 -3.219 8.659 -0.684 1.00 0.00 C ATOM 736 C ILE A 53 -3.677 7.748 0.457 1.00 0.00 C ATOM 737 O ILE A 53 -4.834 7.333 0.499 1.00 0.00 O ATOM 738 CB ILE A 53 -3.139 10.137 -0.296 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.510 10.666 0.129 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.529 10.968 -1.427 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.372 11.744 1.206 1.00 0.00 C ATOM 0 H ILE A 53 -5.037 8.861 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.201 8.365 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.477 10.230 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.030 11.076 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.119 9.845 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.483 12.015 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.523 10.608 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.146 10.874 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.361 12.103 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.874 11.324 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.783 12.574 0.816 1.00 0.00 H new ATOM 753 N PHE A 54 -2.745 7.464 1.355 1.00 0.00 N ATOM 754 CA PHE A 54 -3.038 6.610 2.494 1.00 0.00 C ATOM 755 C PHE A 54 -1.999 6.796 3.601 1.00 0.00 C ATOM 756 O PHE A 54 -0.913 7.319 3.357 1.00 0.00 O ATOM 757 CB PHE A 54 -2.981 5.164 1.995 1.00 0.00 C ATOM 758 CG PHE A 54 -1.566 4.666 1.694 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.760 4.252 2.709 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.114 4.637 0.412 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.553 3.789 2.429 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.199 4.174 0.132 1.00 0.00 C ATOM 763 CZ PHE A 54 1.005 3.760 1.147 1.00 0.00 C ATOM 0 H PHE A 54 -1.786 7.810 1.317 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.016 6.861 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.433 4.514 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.585 5.078 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.119 4.275 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.754 4.966 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.193 3.460 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.558 4.151 -0.886 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.004 3.408 0.934 1.00 0.00 H new ATOM 773 N PRO A 55 -2.379 6.347 4.827 1.00 0.00 N ATOM 774 CA PRO A 55 -1.493 6.459 5.973 1.00 0.00 C ATOM 775 C PRO A 55 -0.371 5.421 5.902 1.00 0.00 C ATOM 776 O PRO A 55 -0.629 4.219 5.933 1.00 0.00 O ATOM 777 CB PRO A 55 -2.392 6.279 7.185 1.00 0.00 C ATOM 778 CG PRO A 55 -3.658 5.613 6.670 1.00 0.00 C ATOM 779 CD PRO A 55 -3.658 5.722 5.154 1.00 0.00 C ATOM 0 HA PRO A 55 -0.979 7.419 6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.907 5.663 7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.617 7.239 7.650 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.692 4.568 6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.541 6.097 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.751 4.742 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.495 6.324 4.800 1.00 0.00 H new ATOM 787 N SER A 56 0.851 5.924 5.808 1.00 0.00 N ATOM 788 CA SER A 56 2.014 5.056 5.732 1.00 0.00 C ATOM 789 C SER A 56 2.151 4.251 7.026 1.00 0.00 C ATOM 790 O SER A 56 2.929 3.300 7.091 1.00 0.00 O ATOM 791 CB SER A 56 3.288 5.862 5.471 1.00 0.00 C ATOM 792 OG SER A 56 3.646 6.671 6.588 1.00 0.00 O ATOM 0 H SER A 56 1.061 6.922 5.783 1.00 0.00 H new ATOM 0 HA SER A 56 1.874 4.370 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.107 5.181 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.143 6.496 4.596 1.00 0.00 H new ATOM 0 HG SER A 56 3.851 7.579 6.282 1.00 0.00 H new ATOM 798 N ASN A 57 1.384 4.662 8.025 1.00 0.00 N ATOM 799 CA ASN A 57 1.411 3.991 9.314 1.00 0.00 C ATOM 800 C ASN A 57 0.394 2.848 9.310 1.00 0.00 C ATOM 801 O ASN A 57 0.221 2.163 10.317 1.00 0.00 O ATOM 802 CB ASN A 57 1.037 4.953 10.443 1.00 0.00 C ATOM 803 CG ASN A 57 1.481 4.404 11.801 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.587 4.637 12.262 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.561 3.665 12.413 1.00 0.00 N ATOM 0 H ASN A 57 0.740 5.451 7.968 1.00 0.00 H new ATOM 0 HA ASN A 57 2.421 3.617 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.503 5.923 10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.041 5.114 10.447 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.761 3.254 13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.345 3.509 11.971 1.00 0.00 H new ATOM 812 N TYR A 58 -0.253 2.678 8.166 1.00 0.00 N ATOM 813 CA TYR A 58 -1.248 1.630 8.018 1.00 0.00 C ATOM 814 C TYR A 58 -0.863 0.662 6.897 1.00 0.00 C ATOM 815 O TYR A 58 -1.730 0.060 6.266 1.00 0.00 O ATOM 816 CB TYR A 58 -2.551 2.336 7.640 1.00 0.00 C ATOM 817 CG TYR A 58 -3.255 3.016 8.816 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.588 3.967 9.562 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.555 2.678 9.131 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.250 4.607 10.669 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.217 3.318 10.239 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.532 4.251 10.953 1.00 0.00 C ATOM 823 OH TYR A 58 -5.157 4.856 11.998 1.00 0.00 O ATOM 0 H TYR A 58 -0.107 3.249 7.333 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.337 1.053 8.938 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.339 3.084 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.230 1.609 7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.570 4.231 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.076 1.934 8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.740 5.353 11.261 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.234 3.063 10.497 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.068 4.504 12.083 1.00 0.00 H new ATOM 833 N VAL A 59 0.440 0.542 6.684 1.00 0.00 N ATOM 834 CA VAL A 59 0.950 -0.342 5.651 1.00 0.00 C ATOM 835 C VAL A 59 2.282 -0.939 6.109 1.00 0.00 C ATOM 836 O VAL A 59 3.096 -0.252 6.724 1.00 0.00 O ATOM 837 CB VAL A 59 1.059 0.411 4.324 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.295 0.993 3.912 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.125 1.506 4.400 1.00 0.00 C ATOM 0 H VAL A 59 1.157 1.042 7.210 1.00 0.00 H new ATOM 0 HA VAL A 59 0.262 -1.170 5.484 1.00 0.00 H new ATOM 0 HB VAL A 59 1.365 -0.302 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.190 1.523 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.018 0.186 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.642 1.685 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.182 2.026 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.862 2.216 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.092 1.057 4.627 1.00 0.00 H new ATOM 849 N LYS A 60 2.464 -2.213 5.793 1.00 0.00 N ATOM 850 CA LYS A 60 3.683 -2.911 6.164 1.00 0.00 C ATOM 851 C LYS A 60 4.409 -3.370 4.898 1.00 0.00 C ATOM 852 O LYS A 60 3.782 -3.580 3.861 1.00 0.00 O ATOM 853 CB LYS A 60 3.374 -4.046 7.142 1.00 0.00 C ATOM 854 CG LYS A 60 2.654 -5.197 6.436 1.00 0.00 C ATOM 855 CD LYS A 60 2.745 -6.486 7.255 1.00 0.00 C ATOM 856 CE LYS A 60 3.463 -7.585 6.470 1.00 0.00 C ATOM 857 NZ LYS A 60 4.152 -8.515 7.392 1.00 0.00 N ATOM 0 H LYS A 60 1.787 -2.780 5.284 1.00 0.00 H new ATOM 0 HA LYS A 60 4.360 -2.240 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.300 -4.410 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.755 -3.670 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.608 -4.935 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.093 -5.356 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.277 -6.292 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.743 -6.822 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.745 -8.133 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.186 -7.139 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.634 -9.255 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.851 -7.991 7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.455 -8.954 8.027 1.00 0.00 H new ATOM 871 N PRO A 61 5.755 -3.515 5.028 1.00 0.00 N ATOM 872 CA PRO A 61 6.573 -3.945 3.907 1.00 0.00 C ATOM 873 C PRO A 61 6.402 -5.443 3.646 1.00 0.00 C ATOM 874 O PRO A 61 6.714 -6.266 4.505 1.00 0.00 O ATOM 875 CB PRO A 61 7.995 -3.568 4.290 1.00 0.00 C ATOM 876 CG PRO A 61 7.981 -3.366 5.796 1.00 0.00 C ATOM 877 CD PRO A 61 6.531 -3.274 6.241 1.00 0.00 C ATOM 0 HA PRO A 61 6.287 -3.467 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.697 -4.353 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.310 -2.659 3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.482 -4.194 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.521 -2.458 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.305 -4.013 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.308 -2.295 6.666 1.00 0.00 H new ATOM 885 N LYS A 62 5.905 -5.751 2.457 1.00 0.00 N ATOM 886 CA LYS A 62 5.689 -7.135 2.072 1.00 0.00 C ATOM 887 C LYS A 62 6.986 -7.923 2.267 1.00 0.00 C ATOM 888 O LYS A 62 7.866 -7.900 1.408 1.00 0.00 O ATOM 889 CB LYS A 62 5.129 -7.215 0.651 1.00 0.00 C ATOM 890 CG LYS A 62 4.134 -8.370 0.517 1.00 0.00 C ATOM 891 CD LYS A 62 3.228 -8.176 -0.701 1.00 0.00 C ATOM 892 CE LYS A 62 3.594 -9.155 -1.818 1.00 0.00 C ATOM 893 NZ LYS A 62 4.488 -8.507 -2.803 1.00 0.00 N ATOM 0 H LYS A 62 5.646 -5.066 1.748 1.00 0.00 H new ATOM 0 HA LYS A 62 4.937 -7.595 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.638 -6.276 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.946 -7.350 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.675 -9.312 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.526 -8.438 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.187 -8.322 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.317 -7.153 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.084 -10.032 -1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.689 -9.504 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.125 -9.219 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.918 -8.074 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.051 -7.772 -2.330 1.00 0.00 H new ATOM 907 N ASP A 63 7.063 -8.603 3.402 1.00 0.00 N ATOM 908 CA ASP A 63 8.237 -9.397 3.721 1.00 0.00 C ATOM 909 C ASP A 63 8.237 -10.666 2.867 1.00 0.00 C ATOM 910 O ASP A 63 7.471 -11.594 3.128 1.00 0.00 O ATOM 911 CB ASP A 63 8.236 -9.816 5.192 1.00 0.00 C ATOM 912 CG ASP A 63 8.778 -8.766 6.164 1.00 0.00 C ATOM 913 OD1 ASP A 63 8.110 -7.717 6.297 1.00 0.00 O ATOM 914 OD2 ASP A 63 9.847 -9.035 6.753 1.00 0.00 O ATOM 0 H ASP A 63 6.331 -8.620 4.112 1.00 0.00 H new ATOM 0 HA ASP A 63 9.119 -8.789 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.215 -10.066 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.828 -10.725 5.296 1.00 0.00 H new ATOM 919 N SER A 64 9.103 -10.668 1.865 1.00 0.00 N ATOM 920 CA SER A 64 9.211 -11.809 0.971 1.00 0.00 C ATOM 921 C SER A 64 10.653 -11.953 0.479 1.00 0.00 C ATOM 922 O SER A 64 11.196 -11.037 -0.137 1.00 0.00 O ATOM 923 CB SER A 64 8.256 -11.671 -0.216 1.00 0.00 C ATOM 924 OG SER A 64 8.186 -12.869 -0.986 1.00 0.00 O ATOM 0 H SER A 64 9.737 -9.898 1.652 1.00 0.00 H new ATOM 0 HA SER A 64 8.931 -12.705 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.261 -11.414 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.585 -10.849 -0.852 1.00 0.00 H new ATOM 0 HG SER A 64 7.565 -12.742 -1.733 1.00 0.00 H new ATOM 930 N GLY A 65 11.231 -13.109 0.770 1.00 0.00 N ATOM 931 CA GLY A 65 12.599 -13.384 0.365 1.00 0.00 C ATOM 932 C GLY A 65 13.066 -14.741 0.897 1.00 0.00 C ATOM 933 O GLY A 65 13.625 -14.824 1.989 1.00 0.00 O ATOM 0 H GLY A 65 10.777 -13.866 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.669 -13.372 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 13.257 -12.598 0.736 1.00 0.00 H new ATOM 937 N PRO A 66 12.812 -15.797 0.079 1.00 0.00 N ATOM 938 CA PRO A 66 13.200 -17.146 0.455 1.00 0.00 C ATOM 939 C PRO A 66 14.709 -17.345 0.302 1.00 0.00 C ATOM 940 O PRO A 66 15.163 -17.959 -0.662 1.00 0.00 O ATOM 941 CB PRO A 66 12.386 -18.057 -0.449 1.00 0.00 C ATOM 942 CG PRO A 66 11.923 -17.188 -1.608 1.00 0.00 C ATOM 943 CD PRO A 66 12.151 -15.736 -1.222 1.00 0.00 C ATOM 0 HA PRO A 66 12.998 -17.365 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.988 -18.894 -0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.536 -18.480 0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.477 -17.434 -2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.869 -17.365 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.771 -15.224 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.210 -15.190 -1.163 1.00 0.00 H new ATOM 951 N SER A 67 15.445 -16.815 1.268 1.00 0.00 N ATOM 952 CA SER A 67 16.893 -16.927 1.252 1.00 0.00 C ATOM 953 C SER A 67 17.462 -16.192 0.037 1.00 0.00 C ATOM 954 O SER A 67 17.093 -16.485 -1.099 1.00 0.00 O ATOM 955 CB SER A 67 17.333 -18.392 1.240 1.00 0.00 C ATOM 956 OG SER A 67 17.609 -18.878 2.551 1.00 0.00 O ATOM 0 H SER A 67 15.065 -16.307 2.067 1.00 0.00 H new ATOM 0 HA SER A 67 17.281 -16.467 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.552 -19.001 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.223 -18.498 0.619 1.00 0.00 H new ATOM 0 HG SER A 67 17.885 -19.817 2.500 1.00 0.00 H new ATOM 962 N SER A 68 18.352 -15.251 0.317 1.00 0.00 N ATOM 963 CA SER A 68 18.975 -14.471 -0.739 1.00 0.00 C ATOM 964 C SER A 68 20.119 -13.633 -0.165 1.00 0.00 C ATOM 965 O SER A 68 19.935 -12.914 0.816 1.00 0.00 O ATOM 966 CB SER A 68 17.953 -13.570 -1.435 1.00 0.00 C ATOM 967 OG SER A 68 17.674 -14.006 -2.763 1.00 0.00 O ATOM 0 H SER A 68 18.657 -15.011 1.260 1.00 0.00 H new ATOM 0 HA SER A 68 19.376 -15.160 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.029 -13.555 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.329 -12.547 -1.461 1.00 0.00 H new ATOM 0 HG SER A 68 17.405 -14.948 -2.748 1.00 0.00 H new ATOM 973 N GLY A 69 21.275 -13.752 -0.802 1.00 0.00 N ATOM 974 CA GLY A 69 22.448 -13.013 -0.367 1.00 0.00 C ATOM 975 C GLY A 69 23.176 -12.389 -1.559 1.00 0.00 C ATOM 976 O GLY A 69 23.636 -13.100 -2.451 1.00 0.00 O ATOM 0 H GLY A 69 21.424 -14.349 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 69 22.151 -12.231 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 23.124 -13.679 0.168 1.00 0.00 H new TER 980 GLY A 69