USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -118:sc= 1.3 (180deg=-0.234) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 160:sc= 1.33 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 20:sc= 0.233 USER MOD Single : A 20 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.35) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.103) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0286 (180deg=-0.248) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 0.854 (180deg=0.776) USER MOD Single : A 39 ASN : amide:sc= 0.182 K(o=0.18,f=-12!) USER MOD Single : A 45 TYR OH : rot -73:sc= 1.18 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.289 18.399 -11.267 1.00 0.00 N ATOM 2 CA GLY A 1 4.103 17.450 -12.349 1.00 0.00 C ATOM 3 C GLY A 1 3.882 16.036 -11.849 1.00 0.00 C ATOM 4 O GLY A 1 2.744 15.582 -11.732 1.00 0.00 O ATOM 0 H1 GLY A 1 4.436 19.350 -11.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.445 18.403 -10.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.119 18.125 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.249 17.756 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.977 17.469 -12.999 1.00 0.00 H new ATOM 8 N SER A 2 4.973 15.337 -11.555 1.00 0.00 N ATOM 9 CA SER A 2 4.895 13.965 -11.069 1.00 0.00 C ATOM 10 C SER A 2 4.070 13.888 -9.788 1.00 0.00 C ATOM 11 O SER A 2 3.056 13.190 -9.731 1.00 0.00 O ATOM 12 CB SER A 2 6.298 13.408 -10.819 1.00 0.00 C ATOM 13 OG SER A 2 7.052 13.369 -12.019 1.00 0.00 O ATOM 0 H SER A 2 5.922 15.699 -11.645 1.00 0.00 H new ATOM 0 HA SER A 2 4.404 13.363 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.812 14.026 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.225 12.405 -10.399 1.00 0.00 H new ATOM 0 HG SER A 2 7.945 13.011 -11.833 1.00 0.00 H new ATOM 19 N SER A 3 4.511 14.609 -8.763 1.00 0.00 N ATOM 20 CA SER A 3 3.816 14.621 -7.481 1.00 0.00 C ATOM 21 C SER A 3 2.671 15.629 -7.493 1.00 0.00 C ATOM 22 O SER A 3 2.544 16.430 -8.417 1.00 0.00 O ATOM 23 CB SER A 3 4.793 14.955 -6.352 1.00 0.00 C ATOM 24 OG SER A 3 5.429 13.786 -5.866 1.00 0.00 O ATOM 0 H SER A 3 5.347 15.193 -8.795 1.00 0.00 H new ATOM 0 HA SER A 3 3.400 13.628 -7.311 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.544 15.658 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.260 15.447 -5.539 1.00 0.00 H new ATOM 0 HG SER A 3 6.050 14.026 -5.147 1.00 0.00 H new ATOM 30 N GLY A 4 1.838 15.580 -6.458 1.00 0.00 N ATOM 31 CA GLY A 4 0.712 16.491 -6.367 1.00 0.00 C ATOM 32 C GLY A 4 0.071 16.487 -4.994 1.00 0.00 C ATOM 33 O GLY A 4 -0.223 17.544 -4.435 1.00 0.00 O ATOM 0 H GLY A 4 1.923 14.925 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.046 17.501 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.034 16.217 -7.113 1.00 0.00 H new ATOM 37 N SER A 5 -0.149 15.295 -4.450 1.00 0.00 N ATOM 38 CA SER A 5 -0.765 15.156 -3.135 1.00 0.00 C ATOM 39 C SER A 5 0.274 14.771 -2.086 1.00 0.00 C ATOM 40 O SER A 5 0.851 13.686 -2.138 1.00 0.00 O ATOM 41 CB SER A 5 -1.877 14.106 -3.178 1.00 0.00 C ATOM 42 OG SER A 5 -2.868 14.373 -2.200 1.00 0.00 O ATOM 0 H SER A 5 0.090 14.411 -4.899 1.00 0.00 H new ATOM 0 HA SER A 5 -1.195 16.119 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.332 14.094 -4.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.453 13.116 -3.010 1.00 0.00 H new ATOM 0 HG SER A 5 -3.568 13.689 -2.249 1.00 0.00 H new ATOM 48 N SER A 6 0.504 15.669 -1.134 1.00 0.00 N ATOM 49 CA SER A 6 1.475 15.426 -0.073 1.00 0.00 C ATOM 50 C SER A 6 1.312 14.022 0.503 1.00 0.00 C ATOM 51 O SER A 6 0.384 13.758 1.268 1.00 0.00 O ATOM 52 CB SER A 6 1.321 16.467 1.038 1.00 0.00 C ATOM 53 OG SER A 6 1.530 17.777 0.540 1.00 0.00 O ATOM 0 H SER A 6 0.032 16.571 -1.075 1.00 0.00 H new ATOM 0 HA SER A 6 2.473 15.509 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.324 16.394 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.033 16.260 1.836 1.00 0.00 H new ATOM 0 HG SER A 6 1.425 18.424 1.268 1.00 0.00 H new ATOM 59 N GLY A 7 2.220 13.126 0.130 1.00 0.00 N ATOM 60 CA GLY A 7 2.158 11.762 0.619 1.00 0.00 C ATOM 61 C GLY A 7 3.137 11.505 1.747 1.00 0.00 C ATOM 62 O GLY A 7 4.161 12.179 1.854 1.00 0.00 O ATOM 0 H GLY A 7 2.997 13.320 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.146 11.549 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.366 11.075 -0.202 1.00 0.00 H new ATOM 66 N GLU A 8 2.820 10.529 2.593 1.00 0.00 N ATOM 67 CA GLU A 8 3.678 10.189 3.721 1.00 0.00 C ATOM 68 C GLU A 8 4.728 9.159 3.314 1.00 0.00 C ATOM 69 O GLU A 8 5.929 9.418 3.391 1.00 0.00 O ATOM 70 CB GLU A 8 2.841 9.648 4.882 1.00 0.00 C ATOM 71 CG GLU A 8 1.762 10.608 5.353 1.00 0.00 C ATOM 72 CD GLU A 8 2.306 11.702 6.252 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.303 12.347 5.865 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.733 11.914 7.342 1.00 0.00 O ATOM 0 H GLU A 8 1.976 9.961 2.518 1.00 0.00 H new ATOM 0 HA GLU A 8 4.189 11.097 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.374 8.711 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.501 9.418 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.281 11.061 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.994 10.051 5.889 1.00 0.00 H new ATOM 81 N GLU A 9 4.266 7.990 2.883 1.00 0.00 N ATOM 82 CA GLU A 9 5.165 6.920 2.465 1.00 0.00 C ATOM 83 C GLU A 9 4.516 6.052 1.391 1.00 0.00 C ATOM 84 O GLU A 9 3.364 5.639 1.523 1.00 0.00 O ATOM 85 CB GLU A 9 5.559 6.057 3.665 1.00 0.00 C ATOM 86 CG GLU A 9 6.551 6.729 4.599 1.00 0.00 C ATOM 87 CD GLU A 9 7.105 5.780 5.643 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.939 4.923 5.284 1.00 0.00 O ATOM 89 OE2 GLU A 9 6.706 5.895 6.821 1.00 0.00 O ATOM 0 H GLU A 9 3.275 7.759 2.814 1.00 0.00 H new ATOM 0 HA GLU A 9 6.061 7.377 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.661 5.799 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.988 5.122 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.374 7.140 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.064 7.567 5.097 1.00 0.00 H new ATOM 96 N LYS A 10 5.265 5.779 0.328 1.00 0.00 N ATOM 97 CA LYS A 10 4.765 4.959 -0.770 1.00 0.00 C ATOM 98 C LYS A 10 5.585 3.680 -0.911 1.00 0.00 C ATOM 99 O LYS A 10 6.801 3.730 -1.097 1.00 0.00 O ATOM 100 CB LYS A 10 4.801 5.748 -2.080 1.00 0.00 C ATOM 101 CG LYS A 10 3.584 6.632 -2.291 1.00 0.00 C ATOM 102 CD LYS A 10 3.346 6.909 -3.767 1.00 0.00 C ATOM 103 CE LYS A 10 4.075 8.164 -4.222 1.00 0.00 C ATOM 104 NZ LYS A 10 3.392 9.402 -3.756 1.00 0.00 N ATOM 0 H LYS A 10 6.221 6.113 0.203 1.00 0.00 H new ATOM 0 HA LYS A 10 3.734 4.686 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.697 6.368 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.881 5.050 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.705 6.150 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.721 7.574 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.683 6.057 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.277 7.021 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.097 8.148 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.139 8.172 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.082 9.958 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.565 9.146 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.051 9.968 -3.184 1.00 0.00 H new ATOM 118 N TYR A 11 4.912 2.539 -0.823 1.00 0.00 N ATOM 119 CA TYR A 11 5.578 1.248 -0.940 1.00 0.00 C ATOM 120 C TYR A 11 5.285 0.603 -2.292 1.00 0.00 C ATOM 121 O TYR A 11 4.585 1.176 -3.126 1.00 0.00 O ATOM 122 CB TYR A 11 5.134 0.316 0.189 1.00 0.00 C ATOM 123 CG TYR A 11 5.894 0.524 1.480 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.875 1.752 2.129 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.630 -0.507 2.049 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.568 1.947 3.308 1.00 0.00 C ATOM 127 CE2 TYR A 11 7.325 -0.321 3.229 1.00 0.00 C ATOM 128 CZ TYR A 11 7.290 0.908 3.855 1.00 0.00 C ATOM 129 OH TYR A 11 7.982 1.097 5.029 1.00 0.00 O ATOM 0 H TYR A 11 3.905 2.482 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 11 6.652 1.415 -0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.070 0.465 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.259 -0.718 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.309 2.568 1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.660 -1.470 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.544 2.909 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.892 -1.133 3.659 1.00 0.00 H new ATOM 0 HH TYR A 11 8.437 0.265 5.278 1.00 0.00 H new ATOM 139 N VAL A 12 5.825 -0.593 -2.500 1.00 0.00 N ATOM 140 CA VAL A 12 5.621 -1.318 -3.748 1.00 0.00 C ATOM 141 C VAL A 12 5.098 -2.726 -3.487 1.00 0.00 C ATOM 142 O VAL A 12 5.490 -3.377 -2.518 1.00 0.00 O ATOM 143 CB VAL A 12 6.924 -1.409 -4.565 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.665 -2.063 -5.913 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.539 -0.029 -4.741 1.00 0.00 C ATOM 0 H VAL A 12 6.408 -1.081 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 12 4.881 -0.759 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 12 7.633 -2.030 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.597 -2.118 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.273 -3.069 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.939 -1.472 -6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.459 -0.112 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.836 0.618 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.763 0.397 -3.763 1.00 0.00 H new ATOM 155 N THR A 13 4.210 -3.193 -4.360 1.00 0.00 N ATOM 156 CA THR A 13 3.632 -4.524 -4.223 1.00 0.00 C ATOM 157 C THR A 13 4.442 -5.557 -4.997 1.00 0.00 C ATOM 158 O THR A 13 4.788 -5.346 -6.160 1.00 0.00 O ATOM 159 CB THR A 13 2.173 -4.556 -4.719 1.00 0.00 C ATOM 160 OG1 THR A 13 2.136 -4.394 -6.141 1.00 0.00 O ATOM 161 CG2 THR A 13 1.352 -3.461 -4.056 1.00 0.00 C ATOM 0 H THR A 13 3.876 -2.669 -5.169 1.00 0.00 H new ATOM 0 HA THR A 13 3.653 -4.771 -3.161 1.00 0.00 H new ATOM 0 HB THR A 13 1.742 -5.521 -4.453 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.281 -4.727 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.326 -3.503 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.358 -3.605 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.782 -2.488 -4.295 1.00 0.00 H new ATOM 169 N VAL A 14 4.743 -6.676 -4.346 1.00 0.00 N ATOM 170 CA VAL A 14 5.513 -7.743 -4.973 1.00 0.00 C ATOM 171 C VAL A 14 4.627 -8.940 -5.299 1.00 0.00 C ATOM 172 O VAL A 14 5.039 -9.854 -6.013 1.00 0.00 O ATOM 173 CB VAL A 14 6.671 -8.206 -4.071 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.695 -7.094 -3.902 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.143 -8.663 -2.719 1.00 0.00 C ATOM 0 H VAL A 14 4.465 -6.867 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 14 5.924 -7.336 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 14 7.164 -9.052 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.506 -7.440 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.096 -6.817 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.218 -6.226 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.975 -8.987 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.624 -7.837 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.451 -9.493 -2.860 1.00 0.00 H new ATOM 185 N GLN A 15 3.407 -8.929 -4.769 1.00 0.00 N ATOM 186 CA GLN A 15 2.463 -10.015 -5.004 1.00 0.00 C ATOM 187 C GLN A 15 1.032 -9.491 -5.049 1.00 0.00 C ATOM 188 O GLN A 15 0.659 -8.568 -4.325 1.00 0.00 O ATOM 189 CB GLN A 15 2.595 -11.078 -3.911 1.00 0.00 C ATOM 190 CG GLN A 15 4.008 -11.615 -3.752 1.00 0.00 C ATOM 191 CD GLN A 15 4.169 -12.479 -2.517 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.213 -13.100 -2.052 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.382 -12.522 -1.978 1.00 0.00 N ATOM 0 H GLN A 15 3.050 -8.181 -4.175 1.00 0.00 H new ATOM 0 HA GLN A 15 2.697 -10.464 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.268 -10.654 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.924 -11.906 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.273 -12.197 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.706 -10.780 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.145 -11.991 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.550 -13.086 -1.145 1.00 0.00 H new ATOM 202 N PRO A 16 0.209 -10.092 -5.922 1.00 0.00 N ATOM 203 CA PRO A 16 -1.195 -9.703 -6.083 1.00 0.00 C ATOM 204 C PRO A 16 -2.044 -10.079 -4.872 1.00 0.00 C ATOM 205 O PRO A 16 -1.871 -11.150 -4.289 1.00 0.00 O ATOM 206 CB PRO A 16 -1.643 -10.492 -7.315 1.00 0.00 C ATOM 207 CG PRO A 16 -0.734 -11.671 -7.360 1.00 0.00 C ATOM 208 CD PRO A 16 0.585 -11.199 -6.816 1.00 0.00 C ATOM 0 HA PRO A 16 -1.309 -8.624 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.686 -10.799 -7.231 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.559 -9.892 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.131 -12.492 -6.763 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.625 -12.041 -8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.104 -11.992 -6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.251 -10.865 -7.611 1.00 0.00 H new ATOM 216 N TYR A 17 -2.961 -9.192 -4.500 1.00 0.00 N ATOM 217 CA TYR A 17 -3.835 -9.430 -3.358 1.00 0.00 C ATOM 218 C TYR A 17 -5.302 -9.375 -3.774 1.00 0.00 C ATOM 219 O TYR A 17 -5.688 -8.581 -4.632 1.00 0.00 O ATOM 220 CB TYR A 17 -3.566 -8.400 -2.260 1.00 0.00 C ATOM 221 CG TYR A 17 -4.333 -8.662 -0.983 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.946 -9.672 -0.111 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.444 -7.898 -0.648 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.644 -9.916 1.055 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.147 -8.133 0.518 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.744 -9.142 1.365 1.00 0.00 C ATOM 227 OH TYR A 17 -6.441 -9.381 2.527 1.00 0.00 O ATOM 0 H TYR A 17 -3.118 -8.302 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.623 -10.427 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.499 -8.389 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.824 -7.409 -2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.084 -10.277 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.764 -7.107 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.331 -10.707 1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.008 -7.529 0.764 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.187 -8.749 2.597 1.00 0.00 H new ATOM 237 N THR A 18 -6.117 -10.228 -3.159 1.00 0.00 N ATOM 238 CA THR A 18 -7.541 -10.277 -3.464 1.00 0.00 C ATOM 239 C THR A 18 -8.379 -9.956 -2.232 1.00 0.00 C ATOM 240 O THR A 18 -8.556 -10.798 -1.352 1.00 0.00 O ATOM 241 CB THR A 18 -7.951 -11.661 -4.003 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.158 -11.996 -5.147 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.426 -11.681 -4.378 1.00 0.00 C ATOM 0 H THR A 18 -5.815 -10.893 -2.447 1.00 0.00 H new ATOM 0 HA THR A 18 -7.726 -9.525 -4.231 1.00 0.00 H new ATOM 0 HB THR A 18 -7.782 -12.397 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.424 -12.878 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.692 -12.668 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.028 -11.455 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.616 -10.934 -5.149 1.00 0.00 H new ATOM 251 N SER A 19 -8.894 -8.731 -2.176 1.00 0.00 N ATOM 252 CA SER A 19 -9.711 -8.297 -1.050 1.00 0.00 C ATOM 253 C SER A 19 -11.081 -8.967 -1.082 1.00 0.00 C ATOM 254 O SER A 19 -11.779 -8.925 -2.095 1.00 0.00 O ATOM 255 CB SER A 19 -9.874 -6.776 -1.067 1.00 0.00 C ATOM 256 OG SER A 19 -10.690 -6.363 -2.150 1.00 0.00 O ATOM 0 H SER A 19 -8.759 -8.023 -2.897 1.00 0.00 H new ATOM 0 HA SER A 19 -9.204 -8.591 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.316 -6.444 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.895 -6.303 -1.144 1.00 0.00 H new ATOM 0 HG SER A 19 -11.224 -7.122 -2.465 1.00 0.00 H new ATOM 262 N GLN A 20 -11.458 -9.585 0.033 1.00 0.00 N ATOM 263 CA GLN A 20 -12.744 -10.265 0.132 1.00 0.00 C ATOM 264 C GLN A 20 -13.862 -9.273 0.437 1.00 0.00 C ATOM 265 O GLN A 20 -14.979 -9.409 -0.062 1.00 0.00 O ATOM 266 CB GLN A 20 -12.693 -11.342 1.216 1.00 0.00 C ATOM 267 CG GLN A 20 -11.838 -12.543 0.840 1.00 0.00 C ATOM 268 CD GLN A 20 -12.162 -13.081 -0.539 1.00 0.00 C ATOM 269 OE1 GLN A 20 -13.300 -13.462 -0.817 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.161 -13.115 -1.411 1.00 0.00 N ATOM 0 H GLN A 20 -10.891 -9.629 0.880 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.952 -10.736 -0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.304 -10.903 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.707 -11.680 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.786 -12.261 0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.983 -13.333 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.234 -12.789 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.319 -13.467 -2.355 1.00 0.00 H new ATOM 279 N SER A 21 -13.554 -8.275 1.259 1.00 0.00 N ATOM 280 CA SER A 21 -14.533 -7.262 1.633 1.00 0.00 C ATOM 281 C SER A 21 -14.013 -5.862 1.326 1.00 0.00 C ATOM 282 O SER A 21 -12.833 -5.677 1.029 1.00 0.00 O ATOM 283 CB SER A 21 -14.873 -7.377 3.122 1.00 0.00 C ATOM 284 OG SER A 21 -15.743 -8.469 3.363 1.00 0.00 O ATOM 0 H SER A 21 -12.633 -8.147 1.679 1.00 0.00 H new ATOM 0 HA SER A 21 -15.436 -7.431 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.957 -7.504 3.699 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.340 -6.453 3.464 1.00 0.00 H new ATOM 0 HG SER A 21 -15.944 -8.522 4.321 1.00 0.00 H new ATOM 290 N LYS A 22 -14.902 -4.877 1.398 1.00 0.00 N ATOM 291 CA LYS A 22 -14.536 -3.493 1.129 1.00 0.00 C ATOM 292 C LYS A 22 -13.385 -3.050 2.026 1.00 0.00 C ATOM 293 O LYS A 22 -12.411 -2.460 1.559 1.00 0.00 O ATOM 294 CB LYS A 22 -15.742 -2.574 1.338 1.00 0.00 C ATOM 295 CG LYS A 22 -16.880 -2.834 0.367 1.00 0.00 C ATOM 296 CD LYS A 22 -18.082 -1.955 0.666 1.00 0.00 C ATOM 297 CE LYS A 22 -19.281 -2.337 -0.188 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.866 -3.640 0.232 1.00 0.00 N ATOM 0 H LYS A 22 -15.883 -5.013 1.641 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.211 -3.425 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.110 -2.697 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.420 -1.537 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.539 -2.650 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.173 -3.883 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.343 -2.041 1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.824 -0.911 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -20.040 -1.558 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.979 -2.394 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.789 -3.770 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.228 -4.413 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.990 -3.648 1.265 1.00 0.00 H new ATOM 312 N ASP A 23 -13.502 -3.341 3.317 1.00 0.00 N ATOM 313 CA ASP A 23 -12.471 -2.975 4.281 1.00 0.00 C ATOM 314 C ASP A 23 -11.079 -3.186 3.693 1.00 0.00 C ATOM 315 O ASP A 23 -10.180 -2.371 3.895 1.00 0.00 O ATOM 316 CB ASP A 23 -12.626 -3.794 5.563 1.00 0.00 C ATOM 317 CG ASP A 23 -13.776 -3.309 6.425 1.00 0.00 C ATOM 318 OD1 ASP A 23 -14.090 -2.103 6.368 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.360 -4.137 7.155 1.00 0.00 O ATOM 0 H ASP A 23 -14.301 -3.830 3.720 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.590 -1.918 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.786 -4.841 5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.700 -3.745 6.136 1.00 0.00 H new ATOM 324 N GLU A 24 -10.910 -4.287 2.966 1.00 0.00 N ATOM 325 CA GLU A 24 -9.627 -4.605 2.351 1.00 0.00 C ATOM 326 C GLU A 24 -9.607 -4.186 0.884 1.00 0.00 C ATOM 327 O GLU A 24 -10.652 -4.105 0.237 1.00 0.00 O ATOM 328 CB GLU A 24 -9.338 -6.103 2.467 1.00 0.00 C ATOM 329 CG GLU A 24 -9.326 -6.611 3.900 1.00 0.00 C ATOM 330 CD GLU A 24 -10.701 -7.032 4.381 1.00 0.00 C ATOM 331 OE1 GLU A 24 -11.535 -7.415 3.535 1.00 0.00 O ATOM 332 OE2 GLU A 24 -10.943 -6.978 5.605 1.00 0.00 O ATOM 0 H GLU A 24 -11.645 -4.972 2.789 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.853 -4.050 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.089 -6.654 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.373 -6.315 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.644 -7.458 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.939 -5.830 4.555 1.00 0.00 H new ATOM 339 N ILE A 25 -8.412 -3.918 0.367 1.00 0.00 N ATOM 340 CA ILE A 25 -8.257 -3.507 -1.023 1.00 0.00 C ATOM 341 C ILE A 25 -7.345 -4.466 -1.781 1.00 0.00 C ATOM 342 O ILE A 25 -6.298 -4.871 -1.278 1.00 0.00 O ATOM 343 CB ILE A 25 -7.686 -2.081 -1.127 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.921 -1.514 -2.530 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.202 -2.079 -0.792 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.862 -0.004 -2.590 1.00 0.00 C ATOM 0 H ILE A 25 -7.538 -3.978 0.889 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.251 -3.525 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.203 -1.446 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.174 -1.926 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.895 -1.846 -2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.813 -1.064 -0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.058 -2.446 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.671 -2.726 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.037 0.327 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.627 0.416 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.879 0.335 -2.263 1.00 0.00 H new ATOM 358 N GLY A 26 -7.749 -4.823 -2.996 1.00 0.00 N ATOM 359 CA GLY A 26 -6.956 -5.730 -3.805 1.00 0.00 C ATOM 360 C GLY A 26 -6.197 -5.013 -4.905 1.00 0.00 C ATOM 361 O GLY A 26 -6.776 -4.231 -5.659 1.00 0.00 O ATOM 0 H GLY A 26 -8.611 -4.500 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.249 -6.259 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.609 -6.482 -4.249 1.00 0.00 H new ATOM 365 N PHE A 27 -4.899 -5.278 -4.994 1.00 0.00 N ATOM 366 CA PHE A 27 -4.059 -4.651 -6.008 1.00 0.00 C ATOM 367 C PHE A 27 -3.251 -5.697 -6.770 1.00 0.00 C ATOM 368 O PHE A 27 -3.168 -6.853 -6.356 1.00 0.00 O ATOM 369 CB PHE A 27 -3.115 -3.634 -5.360 1.00 0.00 C ATOM 370 CG PHE A 27 -2.587 -4.072 -4.025 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.530 -4.965 -3.943 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.147 -3.592 -2.853 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.041 -5.370 -2.715 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.661 -3.994 -1.622 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.608 -4.884 -1.554 1.00 0.00 C ATOM 0 H PHE A 27 -4.405 -5.923 -4.377 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.710 -4.136 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.276 -3.450 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.641 -2.687 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.084 -5.349 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.972 -2.896 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.216 -6.066 -2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.105 -3.612 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.228 -5.200 -0.594 1.00 0.00 H new ATOM 385 N GLU A 28 -2.659 -5.282 -7.885 1.00 0.00 N ATOM 386 CA GLU A 28 -1.859 -6.185 -8.705 1.00 0.00 C ATOM 387 C GLU A 28 -0.379 -6.076 -8.350 1.00 0.00 C ATOM 388 O GLU A 28 0.050 -5.109 -7.720 1.00 0.00 O ATOM 389 CB GLU A 28 -2.063 -5.876 -10.190 1.00 0.00 C ATOM 390 CG GLU A 28 -3.518 -5.909 -10.625 1.00 0.00 C ATOM 391 CD GLU A 28 -3.681 -6.243 -12.095 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.378 -7.393 -12.478 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.111 -5.356 -12.861 1.00 0.00 O ATOM 0 H GLU A 28 -2.718 -4.328 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.188 -7.205 -8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.650 -4.891 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.499 -6.596 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.055 -6.646 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.975 -4.940 -10.424 1.00 0.00 H new ATOM 400 N LYS A 29 0.396 -7.074 -8.758 1.00 0.00 N ATOM 401 CA LYS A 29 1.829 -7.092 -8.486 1.00 0.00 C ATOM 402 C LYS A 29 2.585 -6.222 -9.486 1.00 0.00 C ATOM 403 O LYS A 29 2.596 -6.505 -10.683 1.00 0.00 O ATOM 404 CB LYS A 29 2.360 -8.526 -8.536 1.00 0.00 C ATOM 405 CG LYS A 29 3.833 -8.615 -8.899 1.00 0.00 C ATOM 406 CD LYS A 29 4.285 -10.060 -9.041 1.00 0.00 C ATOM 407 CE LYS A 29 5.656 -10.153 -9.693 1.00 0.00 C ATOM 408 NZ LYS A 29 5.616 -9.755 -11.127 1.00 0.00 N ATOM 0 H LYS A 29 0.056 -7.882 -9.279 1.00 0.00 H new ATOM 0 HA LYS A 29 1.989 -6.687 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.204 -8.997 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.780 -9.095 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.011 -8.083 -9.834 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.429 -8.120 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.315 -10.531 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.559 -10.613 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.357 -9.512 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.029 -11.174 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.482 -10.082 -11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.787 -10.186 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.552 -8.719 -11.198 1.00 0.00 H new ATOM 422 N GLY A 30 3.215 -5.165 -8.985 1.00 0.00 N ATOM 423 CA GLY A 30 3.966 -4.271 -9.848 1.00 0.00 C ATOM 424 C GLY A 30 3.356 -2.885 -9.919 1.00 0.00 C ATOM 425 O GLY A 30 3.438 -2.214 -10.948 1.00 0.00 O ATOM 0 H GLY A 30 3.219 -4.911 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.991 -4.195 -9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.015 -4.695 -10.851 1.00 0.00 H new ATOM 429 N VAL A 31 2.741 -2.454 -8.822 1.00 0.00 N ATOM 430 CA VAL A 31 2.114 -1.140 -8.764 1.00 0.00 C ATOM 431 C VAL A 31 2.589 -0.358 -7.544 1.00 0.00 C ATOM 432 O VAL A 31 3.364 -0.864 -6.731 1.00 0.00 O ATOM 433 CB VAL A 31 0.578 -1.251 -8.722 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.041 -1.729 -10.062 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.143 -2.181 -7.601 1.00 0.00 C ATOM 0 H VAL A 31 2.664 -2.996 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 31 2.408 -0.610 -9.670 1.00 0.00 H new ATOM 0 HB VAL A 31 0.164 -0.262 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.046 -1.801 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.323 -1.020 -10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.460 -2.708 -10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.945 -2.248 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.565 -3.172 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.496 -1.790 -6.647 1.00 0.00 H new ATOM 445 N THR A 32 2.120 0.879 -7.420 1.00 0.00 N ATOM 446 CA THR A 32 2.496 1.733 -6.300 1.00 0.00 C ATOM 447 C THR A 32 1.318 1.958 -5.360 1.00 0.00 C ATOM 448 O THR A 32 0.194 2.196 -5.803 1.00 0.00 O ATOM 449 CB THR A 32 3.020 3.097 -6.784 1.00 0.00 C ATOM 450 OG1 THR A 32 4.235 2.922 -7.521 1.00 0.00 O ATOM 451 CG2 THR A 32 3.265 4.032 -5.609 1.00 0.00 C ATOM 0 H THR A 32 1.478 1.313 -8.083 1.00 0.00 H new ATOM 0 HA THR A 32 3.292 1.217 -5.763 1.00 0.00 H new ATOM 0 HB THR A 32 2.264 3.542 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.561 3.794 -7.827 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.635 4.989 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.332 4.187 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.004 3.590 -4.940 1.00 0.00 H new ATOM 459 N VAL A 33 1.581 1.881 -4.060 1.00 0.00 N ATOM 460 CA VAL A 33 0.541 2.079 -3.056 1.00 0.00 C ATOM 461 C VAL A 33 0.953 3.138 -2.039 1.00 0.00 C ATOM 462 O VAL A 33 2.128 3.256 -1.693 1.00 0.00 O ATOM 463 CB VAL A 33 0.220 0.769 -2.314 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.443 -0.228 -3.253 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.483 0.180 -1.704 1.00 0.00 C ATOM 0 H VAL A 33 2.505 1.683 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.350 2.415 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.478 0.990 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.663 -1.148 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.370 0.196 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.228 -0.448 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.238 -0.746 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.205 -0.028 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.912 0.891 -0.998 1.00 0.00 H new ATOM 475 N GLU A 34 -0.023 3.906 -1.565 1.00 0.00 N ATOM 476 CA GLU A 34 0.239 4.956 -0.587 1.00 0.00 C ATOM 477 C GLU A 34 -0.251 4.544 0.799 1.00 0.00 C ATOM 478 O GLU A 34 -1.455 4.460 1.044 1.00 0.00 O ATOM 479 CB GLU A 34 -0.438 6.261 -1.013 1.00 0.00 C ATOM 480 CG GLU A 34 0.356 7.053 -2.037 1.00 0.00 C ATOM 481 CD GLU A 34 1.359 7.993 -1.397 1.00 0.00 C ATOM 482 OE1 GLU A 34 1.988 7.598 -0.394 1.00 0.00 O ATOM 483 OE2 GLU A 34 1.514 9.126 -1.901 1.00 0.00 O ATOM 0 H GLU A 34 -1.001 3.821 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 34 1.317 5.113 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.421 6.033 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.599 6.882 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.881 6.363 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.331 7.628 -2.658 1.00 0.00 H new ATOM 490 N VAL A 35 0.691 4.287 1.701 1.00 0.00 N ATOM 491 CA VAL A 35 0.357 3.884 3.061 1.00 0.00 C ATOM 492 C VAL A 35 -0.144 5.069 3.878 1.00 0.00 C ATOM 493 O VAL A 35 0.551 6.077 4.020 1.00 0.00 O ATOM 494 CB VAL A 35 1.570 3.259 3.776 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.202 2.848 5.193 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.097 2.070 2.987 1.00 0.00 C ATOM 0 H VAL A 35 1.692 4.351 1.514 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.434 3.138 2.984 1.00 0.00 H new ATOM 0 HB VAL A 35 2.361 4.007 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.072 2.409 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.875 3.724 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.395 2.116 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.954 1.640 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.313 1.318 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.402 2.399 1.994 1.00 0.00 H new ATOM 506 N ILE A 36 -1.354 4.944 4.413 1.00 0.00 N ATOM 507 CA ILE A 36 -1.947 6.005 5.217 1.00 0.00 C ATOM 508 C ILE A 36 -1.670 5.790 6.701 1.00 0.00 C ATOM 509 O ILE A 36 -1.172 6.685 7.385 1.00 0.00 O ATOM 510 CB ILE A 36 -3.469 6.092 4.999 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.781 6.365 3.525 1.00 0.00 C ATOM 512 CG2 ILE A 36 -4.070 7.175 5.882 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.242 6.191 3.174 1.00 0.00 C ATOM 0 H ILE A 36 -1.943 4.118 4.304 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.487 6.939 4.895 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.915 5.137 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.475 7.382 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.185 5.695 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.146 7.224 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.874 6.941 6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.621 8.137 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.389 6.401 2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.548 5.167 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.843 6.880 3.767 1.00 0.00 H new ATOM 525 N ARG A 37 -1.993 4.598 7.192 1.00 0.00 N ATOM 526 CA ARG A 37 -1.778 4.266 8.595 1.00 0.00 C ATOM 527 C ARG A 37 -0.863 3.052 8.732 1.00 0.00 C ATOM 528 O ARG A 37 -0.533 2.395 7.745 1.00 0.00 O ATOM 529 CB ARG A 37 -3.114 3.991 9.287 1.00 0.00 C ATOM 530 CG ARG A 37 -4.119 5.121 9.141 1.00 0.00 C ATOM 531 CD ARG A 37 -5.455 4.765 9.776 1.00 0.00 C ATOM 532 NE ARG A 37 -6.488 5.748 9.464 1.00 0.00 N ATOM 533 CZ ARG A 37 -7.746 5.648 9.878 1.00 0.00 C ATOM 534 NH1 ARG A 37 -8.124 4.615 10.618 1.00 0.00 N ATOM 535 NH2 ARG A 37 -8.630 6.584 9.553 1.00 0.00 N ATOM 0 H ARG A 37 -2.404 3.846 6.639 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.297 5.119 9.074 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.545 3.078 8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.934 3.811 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.723 6.024 9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.265 5.345 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.772 3.782 9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.335 4.695 10.857 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.230 6.556 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.448 3.894 10.871 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.091 4.541 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.343 7.381 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.596 6.506 9.872 1.00 0.00 H new ATOM 549 N LYS A 38 -0.455 2.761 9.962 1.00 0.00 N ATOM 550 CA LYS A 38 0.422 1.627 10.231 1.00 0.00 C ATOM 551 C LYS A 38 0.019 0.923 11.523 1.00 0.00 C ATOM 552 O LYS A 38 0.275 1.422 12.617 1.00 0.00 O ATOM 553 CB LYS A 38 1.877 2.091 10.322 1.00 0.00 C ATOM 554 CG LYS A 38 2.306 2.979 9.166 1.00 0.00 C ATOM 555 CD LYS A 38 2.876 2.164 8.019 1.00 0.00 C ATOM 556 CE LYS A 38 3.913 2.953 7.235 1.00 0.00 C ATOM 557 NZ LYS A 38 5.267 2.847 7.849 1.00 0.00 N ATOM 0 H LYS A 38 -0.718 3.295 10.790 1.00 0.00 H new ATOM 0 HA LYS A 38 0.324 0.920 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.019 2.633 11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.527 1.217 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.452 3.557 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.053 3.693 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.329 1.253 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.069 1.859 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.949 2.587 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.615 4.001 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.988 3.109 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.329 3.489 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.430 1.869 8.164 1.00 0.00 H new ATOM 571 N ASN A 39 -0.610 -0.240 11.386 1.00 0.00 N ATOM 572 CA ASN A 39 -1.046 -1.014 12.543 1.00 0.00 C ATOM 573 C ASN A 39 0.088 -1.886 13.073 1.00 0.00 C ATOM 574 O ASN A 39 1.205 -1.853 12.556 1.00 0.00 O ATOM 575 CB ASN A 39 -2.247 -1.887 12.176 1.00 0.00 C ATOM 576 CG ASN A 39 -3.177 -2.116 13.351 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.878 -2.905 14.249 1.00 0.00 O ATOM 578 ND2 ASN A 39 -4.311 -1.426 13.352 1.00 0.00 N ATOM 0 H ASN A 39 -0.829 -0.667 10.486 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.340 -0.315 13.326 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.801 -1.415 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.893 -2.848 11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.976 -1.538 14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.518 -0.783 12.587 1.00 0.00 H new ATOM 585 N LEU A 40 -0.207 -2.665 14.107 1.00 0.00 N ATOM 586 CA LEU A 40 0.787 -3.549 14.708 1.00 0.00 C ATOM 587 C LEU A 40 0.337 -5.003 14.638 1.00 0.00 C ATOM 588 O LEU A 40 1.139 -5.921 14.808 1.00 0.00 O ATOM 589 CB LEU A 40 1.040 -3.150 16.163 1.00 0.00 C ATOM 590 CG LEU A 40 2.109 -2.080 16.391 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.511 -0.689 16.247 1.00 0.00 C ATOM 592 CD2 LEU A 40 2.749 -2.249 17.761 1.00 0.00 C ATOM 0 H LEU A 40 -1.126 -2.703 14.547 1.00 0.00 H new ATOM 0 HA LEU A 40 1.714 -3.449 14.144 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.102 -2.794 16.589 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.324 -4.043 16.719 1.00 0.00 H new ATOM 0 HG LEU A 40 2.884 -2.200 15.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.286 0.059 16.413 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.101 -0.571 15.244 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.716 -0.557 16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.507 -1.479 17.906 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.985 -2.156 18.533 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.214 -3.233 17.827 1.00 0.00 H new ATOM 604 N GLU A 41 -0.953 -5.207 14.385 1.00 0.00 N ATOM 605 CA GLU A 41 -1.509 -6.551 14.292 1.00 0.00 C ATOM 606 C GLU A 41 -1.330 -7.118 12.887 1.00 0.00 C ATOM 607 O GLU A 41 -2.141 -7.916 12.419 1.00 0.00 O ATOM 608 CB GLU A 41 -2.994 -6.539 14.663 1.00 0.00 C ATOM 609 CG GLU A 41 -3.845 -5.686 13.739 1.00 0.00 C ATOM 610 CD GLU A 41 -5.049 -5.089 14.442 1.00 0.00 C ATOM 611 OE1 GLU A 41 -4.867 -4.489 15.523 1.00 0.00 O ATOM 612 OE2 GLU A 41 -6.172 -5.220 13.913 1.00 0.00 O ATOM 0 H GLU A 41 -1.631 -4.459 14.241 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.971 -7.188 14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.371 -7.562 14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.102 -6.173 15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.234 -4.883 13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.183 -6.293 12.899 1.00 0.00 H new ATOM 619 N GLY A 42 -0.260 -6.698 12.217 1.00 0.00 N ATOM 620 CA GLY A 42 0.007 -7.173 10.872 1.00 0.00 C ATOM 621 C GLY A 42 -0.978 -6.625 9.858 1.00 0.00 C ATOM 622 O GLY A 42 -1.469 -7.359 9.000 1.00 0.00 O ATOM 0 H GLY A 42 0.426 -6.037 12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.018 -6.887 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.032 -8.262 10.860 1.00 0.00 H new ATOM 626 N TRP A 43 -1.269 -5.333 9.956 1.00 0.00 N ATOM 627 CA TRP A 43 -2.204 -4.688 9.042 1.00 0.00 C ATOM 628 C TRP A 43 -1.781 -3.251 8.754 1.00 0.00 C ATOM 629 O TRP A 43 -1.579 -2.459 9.674 1.00 0.00 O ATOM 630 CB TRP A 43 -3.618 -4.709 9.624 1.00 0.00 C ATOM 631 CG TRP A 43 -4.410 -5.914 9.217 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.877 -6.904 10.034 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.826 -6.258 7.890 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.558 -7.840 9.296 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.542 -7.467 7.978 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.665 -5.660 6.637 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.094 -8.089 6.861 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.212 -6.279 5.529 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.921 -7.481 5.647 1.00 0.00 C ATOM 0 H TRP A 43 -0.871 -4.711 10.660 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.197 -5.244 8.105 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.556 -4.674 10.712 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.147 -3.811 9.306 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.732 -6.944 11.103 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.004 -8.678 9.669 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.123 -4.731 6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.639 -9.017 6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.091 -5.828 4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.340 -7.937 4.762 1.00 0.00 H new ATOM 650 N TRP A 44 -1.649 -2.923 7.474 1.00 0.00 N ATOM 651 CA TRP A 44 -1.250 -1.580 7.067 1.00 0.00 C ATOM 652 C TRP A 44 -2.289 -0.962 6.137 1.00 0.00 C ATOM 653 O TRP A 44 -2.534 -1.468 5.042 1.00 0.00 O ATOM 654 CB TRP A 44 0.113 -1.619 6.375 1.00 0.00 C ATOM 655 CG TRP A 44 1.266 -1.591 7.332 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.316 -2.162 8.572 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.534 -0.960 7.128 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.539 -1.923 9.150 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.305 -1.188 8.285 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.095 -0.226 6.080 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.605 -0.707 8.421 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.386 0.252 6.216 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.129 0.009 7.379 1.00 0.00 C ATOM 0 H TRP A 44 -1.812 -3.568 6.700 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.178 -0.962 7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.178 -2.521 5.766 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.192 -0.770 5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.512 -2.719 9.030 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.830 -2.242 10.074 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.531 -0.035 5.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.179 -0.892 9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.829 0.822 5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.135 0.394 7.455 1.00 0.00 H new ATOM 674 N TYR A 45 -2.895 0.133 6.580 1.00 0.00 N ATOM 675 CA TYR A 45 -3.909 0.819 5.788 1.00 0.00 C ATOM 676 C TYR A 45 -3.270 1.607 4.649 1.00 0.00 C ATOM 677 O TYR A 45 -2.535 2.568 4.880 1.00 0.00 O ATOM 678 CB TYR A 45 -4.730 1.758 6.675 1.00 0.00 C ATOM 679 CG TYR A 45 -6.152 1.952 6.197 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.960 0.862 5.899 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.686 3.225 6.045 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.259 1.035 5.461 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.985 3.408 5.610 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.767 2.310 5.319 1.00 0.00 C ATOM 685 OH TYR A 45 -10.061 2.486 4.885 1.00 0.00 O ATOM 0 H TYR A 45 -2.702 0.565 7.484 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.569 0.065 5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.748 1.362 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.235 2.728 6.719 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.566 -0.137 6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.076 4.087 6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.873 0.177 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.385 4.405 5.499 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.117 2.276 3.929 1.00 0.00 H new ATOM 695 N ILE A 46 -3.556 1.193 3.419 1.00 0.00 N ATOM 696 CA ILE A 46 -3.010 1.860 2.244 1.00 0.00 C ATOM 697 C ILE A 46 -4.124 2.337 1.316 1.00 0.00 C ATOM 698 O ILE A 46 -5.288 1.977 1.492 1.00 0.00 O ATOM 699 CB ILE A 46 -2.065 0.933 1.458 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.796 -0.346 1.044 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.836 0.600 2.291 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.279 -0.948 -0.243 1.00 0.00 C ATOM 0 H ILE A 46 -4.162 0.400 3.211 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.445 2.720 2.603 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.740 1.451 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.704 -1.082 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.858 -0.128 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.178 -0.056 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.306 1.519 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.143 0.098 3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.843 -1.851 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.396 -0.229 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.224 -1.198 -0.130 1.00 0.00 H new ATOM 714 N ARG A 47 -3.758 3.147 0.329 1.00 0.00 N ATOM 715 CA ARG A 47 -4.724 3.672 -0.627 1.00 0.00 C ATOM 716 C ARG A 47 -4.304 3.352 -2.058 1.00 0.00 C ATOM 717 O ARG A 47 -3.166 3.607 -2.454 1.00 0.00 O ATOM 718 CB ARG A 47 -4.874 5.185 -0.455 1.00 0.00 C ATOM 719 CG ARG A 47 -5.855 5.816 -1.429 1.00 0.00 C ATOM 720 CD ARG A 47 -5.646 7.317 -1.538 1.00 0.00 C ATOM 721 NE ARG A 47 -6.715 7.967 -2.292 1.00 0.00 N ATOM 722 CZ ARG A 47 -6.731 9.263 -2.578 1.00 0.00 C ATOM 723 NH1 ARG A 47 -5.741 10.046 -2.172 1.00 0.00 N ATOM 724 NH2 ARG A 47 -7.739 9.780 -3.269 1.00 0.00 N ATOM 0 H ARG A 47 -2.798 3.454 0.170 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.684 3.194 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.201 5.395 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.898 5.655 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.738 5.359 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.875 5.613 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.594 7.749 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.689 7.515 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.493 7.393 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.965 9.653 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.755 11.042 -2.393 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.503 9.181 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.749 10.776 -3.488 1.00 0.00 H new ATOM 738 N TYR A 48 -5.229 2.790 -2.829 1.00 0.00 N ATOM 739 CA TYR A 48 -4.954 2.431 -4.215 1.00 0.00 C ATOM 740 C TYR A 48 -6.172 2.688 -5.097 1.00 0.00 C ATOM 741 O TYR A 48 -7.293 2.314 -4.752 1.00 0.00 O ATOM 742 CB TYR A 48 -4.542 0.961 -4.311 1.00 0.00 C ATOM 743 CG TYR A 48 -4.461 0.447 -5.731 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.709 1.113 -6.690 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.135 -0.707 -6.112 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.632 0.647 -7.988 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.064 -1.180 -7.408 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.311 -0.500 -8.342 1.00 0.00 C ATOM 749 OH TYR A 48 -4.236 -0.968 -9.635 1.00 0.00 O ATOM 0 H TYR A 48 -6.176 2.573 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.134 3.055 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.572 0.832 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.257 0.355 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.175 2.011 -6.416 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.724 -1.243 -5.383 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.043 1.178 -8.722 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.595 -2.078 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.770 -1.785 -9.719 1.00 0.00 H new ATOM 759 N LEU A 49 -5.944 3.330 -6.237 1.00 0.00 N ATOM 760 CA LEU A 49 -7.022 3.638 -7.171 1.00 0.00 C ATOM 761 C LEU A 49 -8.062 4.543 -6.522 1.00 0.00 C ATOM 762 O LEU A 49 -9.254 4.448 -6.816 1.00 0.00 O ATOM 763 CB LEU A 49 -7.684 2.348 -7.659 1.00 0.00 C ATOM 764 CG LEU A 49 -6.934 1.579 -8.747 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.613 0.246 -9.022 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.844 2.407 -10.021 1.00 0.00 C ATOM 0 H LEU A 49 -5.022 3.648 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.592 4.164 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.820 1.687 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.678 2.593 -8.034 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.922 1.382 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.066 -0.288 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.624 -0.352 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.636 0.421 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.307 1.843 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.848 2.635 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.312 3.336 -9.814 1.00 0.00 H new ATOM 778 N GLY A 50 -7.605 5.423 -5.636 1.00 0.00 N ATOM 779 CA GLY A 50 -8.509 6.335 -4.960 1.00 0.00 C ATOM 780 C GLY A 50 -9.384 5.633 -3.940 1.00 0.00 C ATOM 781 O GLY A 50 -10.498 6.074 -3.657 1.00 0.00 O ATOM 0 H GLY A 50 -6.624 5.520 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.930 7.114 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.141 6.829 -5.698 1.00 0.00 H new ATOM 785 N LYS A 51 -8.878 4.537 -3.384 1.00 0.00 N ATOM 786 CA LYS A 51 -9.620 3.772 -2.389 1.00 0.00 C ATOM 787 C LYS A 51 -8.713 3.358 -1.234 1.00 0.00 C ATOM 788 O LYS A 51 -7.661 2.756 -1.444 1.00 0.00 O ATOM 789 CB LYS A 51 -10.244 2.531 -3.030 1.00 0.00 C ATOM 790 CG LYS A 51 -11.640 2.767 -3.579 1.00 0.00 C ATOM 791 CD LYS A 51 -12.066 1.649 -4.517 1.00 0.00 C ATOM 792 CE LYS A 51 -11.672 1.949 -5.956 1.00 0.00 C ATOM 793 NZ LYS A 51 -11.696 0.724 -6.804 1.00 0.00 N ATOM 0 H LYS A 51 -7.957 4.159 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.413 4.408 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.599 2.186 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.284 1.731 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.349 2.841 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.667 3.719 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.607 0.712 -4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.146 1.512 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.353 2.692 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.673 2.385 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.422 0.970 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.028 0.024 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.655 0.322 -6.806 1.00 0.00 H new ATOM 807 N GLU A 52 -9.128 3.686 -0.014 1.00 0.00 N ATOM 808 CA GLU A 52 -8.352 3.347 1.174 1.00 0.00 C ATOM 809 C GLU A 52 -8.854 2.049 1.799 1.00 0.00 C ATOM 810 O GLU A 52 -10.016 1.946 2.192 1.00 0.00 O ATOM 811 CB GLU A 52 -8.424 4.482 2.198 1.00 0.00 C ATOM 812 CG GLU A 52 -7.952 5.821 1.656 1.00 0.00 C ATOM 813 CD GLU A 52 -9.074 6.627 1.034 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.045 6.946 1.751 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.981 6.940 -0.172 1.00 0.00 O ATOM 0 H GLU A 52 -9.996 4.186 0.178 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.314 3.206 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.452 4.582 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.819 4.217 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.501 6.397 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.174 5.653 0.911 1.00 0.00 H new ATOM 822 N GLY A 53 -7.969 1.061 1.889 1.00 0.00 N ATOM 823 CA GLY A 53 -8.341 -0.217 2.467 1.00 0.00 C ATOM 824 C GLY A 53 -7.212 -0.844 3.261 1.00 0.00 C ATOM 825 O GLY A 53 -6.123 -0.279 3.357 1.00 0.00 O ATOM 0 H GLY A 53 -7.001 1.123 1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.206 -0.081 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.644 -0.898 1.671 1.00 0.00 H new ATOM 829 N TRP A 54 -7.473 -2.013 3.834 1.00 0.00 N ATOM 830 CA TRP A 54 -6.470 -2.717 4.627 1.00 0.00 C ATOM 831 C TRP A 54 -5.685 -3.699 3.764 1.00 0.00 C ATOM 832 O TRP A 54 -6.266 -4.560 3.103 1.00 0.00 O ATOM 833 CB TRP A 54 -7.136 -3.457 5.787 1.00 0.00 C ATOM 834 CG TRP A 54 -7.392 -2.585 6.979 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.608 -2.246 7.500 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.408 -1.941 7.797 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.440 -1.428 8.593 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.100 -1.228 8.796 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.011 -1.900 7.785 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.440 -0.482 9.770 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.359 -1.160 8.752 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.073 -0.460 9.734 1.00 0.00 C ATOM 0 H TRP A 54 -8.370 -2.494 3.765 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.775 -1.979 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.081 -3.879 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.504 -4.293 6.086 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.561 -2.572 7.111 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.191 -1.034 9.160 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.452 -2.437 7.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.988 0.060 10.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.280 -1.120 8.751 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.533 0.108 10.477 1.00 0.00 H new ATOM 853 N ALA A 55 -4.363 -3.564 3.775 1.00 0.00 N ATOM 854 CA ALA A 55 -3.500 -4.441 2.995 1.00 0.00 C ATOM 855 C ALA A 55 -2.398 -5.040 3.862 1.00 0.00 C ATOM 856 O ALA A 55 -1.872 -4.397 4.773 1.00 0.00 O ATOM 857 CB ALA A 55 -2.897 -3.683 1.822 1.00 0.00 C ATOM 0 H ALA A 55 -3.867 -2.856 4.316 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.109 -5.259 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.255 -4.351 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.696 -3.309 1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.308 -2.845 2.195 1.00 0.00 H new ATOM 863 N PRO A 56 -2.038 -6.300 3.578 1.00 0.00 N ATOM 864 CA PRO A 56 -0.995 -7.013 4.322 1.00 0.00 C ATOM 865 C PRO A 56 0.397 -6.450 4.051 1.00 0.00 C ATOM 866 O PRO A 56 0.862 -6.440 2.912 1.00 0.00 O ATOM 867 CB PRO A 56 -1.103 -8.447 3.799 1.00 0.00 C ATOM 868 CG PRO A 56 -1.696 -8.311 2.439 1.00 0.00 C ATOM 869 CD PRO A 56 -2.621 -7.127 2.508 1.00 0.00 C ATOM 0 HA PRO A 56 -1.132 -6.927 5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.126 -8.928 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.732 -9.058 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.921 -8.157 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.238 -9.214 2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.658 -6.590 1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.642 -7.428 2.744 1.00 0.00 H new ATOM 877 N ALA A 57 1.056 -5.982 5.106 1.00 0.00 N ATOM 878 CA ALA A 57 2.396 -5.421 4.983 1.00 0.00 C ATOM 879 C ALA A 57 3.344 -6.406 4.308 1.00 0.00 C ATOM 880 O ALA A 57 4.387 -6.018 3.780 1.00 0.00 O ATOM 881 CB ALA A 57 2.929 -5.023 6.351 1.00 0.00 C ATOM 0 H ALA A 57 0.684 -5.980 6.056 1.00 0.00 H new ATOM 0 HA ALA A 57 2.335 -4.531 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.930 -4.606 6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.270 -4.277 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.969 -5.901 6.996 1.00 0.00 H new ATOM 887 N SER A 58 2.977 -7.684 4.331 1.00 0.00 N ATOM 888 CA SER A 58 3.797 -8.726 3.725 1.00 0.00 C ATOM 889 C SER A 58 3.803 -8.598 2.205 1.00 0.00 C ATOM 890 O SER A 58 4.729 -9.058 1.535 1.00 0.00 O ATOM 891 CB SER A 58 3.285 -10.109 4.131 1.00 0.00 C ATOM 892 OG SER A 58 3.899 -10.549 5.329 1.00 0.00 O ATOM 0 H SER A 58 2.117 -8.022 4.763 1.00 0.00 H new ATOM 0 HA SER A 58 4.819 -8.605 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.204 -10.075 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.486 -10.823 3.332 1.00 0.00 H new ATOM 0 HG SER A 58 3.553 -11.434 5.568 1.00 0.00 H new ATOM 898 N TYR A 59 2.763 -7.971 1.666 1.00 0.00 N ATOM 899 CA TYR A 59 2.646 -7.786 0.225 1.00 0.00 C ATOM 900 C TYR A 59 3.123 -6.396 -0.186 1.00 0.00 C ATOM 901 O TYR A 59 2.815 -5.918 -1.278 1.00 0.00 O ATOM 902 CB TYR A 59 1.197 -7.991 -0.220 1.00 0.00 C ATOM 903 CG TYR A 59 0.742 -9.431 -0.155 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.711 -10.117 1.053 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.344 -10.108 -1.301 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.298 -11.433 1.118 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.073 -11.424 -1.246 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.094 -12.082 -0.035 1.00 0.00 C ATOM 909 OH TYR A 59 -0.508 -13.393 0.025 1.00 0.00 O ATOM 0 H TYR A 59 1.989 -7.583 2.205 1.00 0.00 H new ATOM 0 HA TYR A 59 3.278 -8.527 -0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.544 -7.384 0.407 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.085 -7.629 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.015 -9.612 1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.361 -9.596 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.282 -11.951 2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.381 -11.934 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.751 -13.701 -0.873 1.00 0.00 H new ATOM 919 N LEU A 60 3.878 -5.753 0.698 1.00 0.00 N ATOM 920 CA LEU A 60 4.401 -4.417 0.429 1.00 0.00 C ATOM 921 C LEU A 60 5.877 -4.326 0.801 1.00 0.00 C ATOM 922 O LEU A 60 6.314 -4.895 1.801 1.00 0.00 O ATOM 923 CB LEU A 60 3.602 -3.369 1.205 1.00 0.00 C ATOM 924 CG LEU A 60 2.079 -3.501 1.139 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.424 -2.677 2.236 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.567 -3.075 -0.229 1.00 0.00 C ATOM 0 H LEU A 60 4.142 -6.134 1.607 1.00 0.00 H new ATOM 0 HA LEU A 60 4.301 -4.223 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.905 -3.411 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.878 -2.382 0.833 1.00 0.00 H new ATOM 0 HG LEU A 60 1.816 -4.547 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.341 -2.783 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.767 -3.028 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.693 -1.628 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.482 -3.175 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.841 -2.036 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.011 -3.708 -0.997 1.00 0.00 H new ATOM 938 N LYS A 61 6.642 -3.603 -0.011 1.00 0.00 N ATOM 939 CA LYS A 61 8.070 -3.432 0.233 1.00 0.00 C ATOM 940 C LYS A 61 8.465 -1.962 0.141 1.00 0.00 C ATOM 941 O LYS A 61 8.081 -1.262 -0.796 1.00 0.00 O ATOM 942 CB LYS A 61 8.882 -4.254 -0.771 1.00 0.00 C ATOM 943 CG LYS A 61 8.750 -3.767 -2.204 1.00 0.00 C ATOM 944 CD LYS A 61 9.667 -4.534 -3.140 1.00 0.00 C ATOM 945 CE LYS A 61 11.084 -3.981 -3.109 1.00 0.00 C ATOM 946 NZ LYS A 61 12.018 -4.803 -3.929 1.00 0.00 N ATOM 0 H LYS A 61 6.297 -3.126 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 61 8.286 -3.785 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.933 -4.229 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.562 -5.295 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.717 -3.878 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.987 -2.704 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.680 -5.587 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.277 -4.482 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.082 -2.956 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.438 -3.947 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.973 -4.394 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.040 -5.775 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.694 -4.814 -4.917 1.00 0.00 H new ATOM 960 N LYS A 62 9.238 -1.499 1.117 1.00 0.00 N ATOM 961 CA LYS A 62 9.689 -0.113 1.146 1.00 0.00 C ATOM 962 C LYS A 62 10.466 0.232 -0.121 1.00 0.00 C ATOM 963 O LYS A 62 11.533 -0.325 -0.377 1.00 0.00 O ATOM 964 CB LYS A 62 10.563 0.136 2.377 1.00 0.00 C ATOM 965 CG LYS A 62 10.489 1.560 2.898 1.00 0.00 C ATOM 966 CD LYS A 62 11.310 2.511 2.043 1.00 0.00 C ATOM 967 CE LYS A 62 11.206 3.942 2.545 1.00 0.00 C ATOM 968 NZ LYS A 62 12.024 4.160 3.771 1.00 0.00 N ATOM 0 H LYS A 62 9.566 -2.065 1.900 1.00 0.00 H new ATOM 0 HA LYS A 62 8.809 0.528 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.262 -0.548 3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.599 -0.098 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.450 1.889 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.849 1.591 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.354 2.197 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.967 2.461 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.534 4.626 1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.163 4.178 2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.927 5.148 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.694 3.525 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.023 3.960 3.562 1.00 0.00 H new ATOM 982 N ALA A 63 9.924 1.155 -0.909 1.00 0.00 N ATOM 983 CA ALA A 63 10.568 1.577 -2.147 1.00 0.00 C ATOM 984 C ALA A 63 11.958 2.143 -1.876 1.00 0.00 C ATOM 985 O ALA A 63 12.371 2.283 -0.724 1.00 0.00 O ATOM 986 CB ALA A 63 9.708 2.605 -2.865 1.00 0.00 C ATOM 0 H ALA A 63 9.040 1.625 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 63 10.679 0.702 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.201 2.911 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.738 2.167 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.568 3.474 -2.223 1.00 0.00 H new ATOM 992 N LYS A 64 12.677 2.468 -2.944 1.00 0.00 N ATOM 993 CA LYS A 64 14.022 3.020 -2.824 1.00 0.00 C ATOM 994 C LYS A 64 14.295 4.035 -3.930 1.00 0.00 C ATOM 995 O LYS A 64 14.261 3.700 -5.114 1.00 0.00 O ATOM 996 CB LYS A 64 15.062 1.900 -2.878 1.00 0.00 C ATOM 997 CG LYS A 64 14.956 0.915 -1.726 1.00 0.00 C ATOM 998 CD LYS A 64 15.471 1.516 -0.428 1.00 0.00 C ATOM 999 CE LYS A 64 15.207 0.598 0.755 1.00 0.00 C ATOM 1000 NZ LYS A 64 16.018 0.978 1.944 1.00 0.00 N ATOM 0 H LYS A 64 12.351 2.359 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 64 14.094 3.528 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.953 1.360 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.059 2.341 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.917 0.612 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.524 0.015 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.541 1.704 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.991 2.479 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.148 0.632 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.434 -0.430 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.809 0.328 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.029 0.921 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.783 1.951 2.228 1.00 0.00 H new ATOM 1014 N ASP A 65 14.567 5.274 -3.536 1.00 0.00 N ATOM 1015 CA ASP A 65 14.849 6.337 -4.493 1.00 0.00 C ATOM 1016 C ASP A 65 16.350 6.471 -4.730 1.00 0.00 C ATOM 1017 O ASP A 65 17.064 7.071 -3.928 1.00 0.00 O ATOM 1018 CB ASP A 65 14.277 7.665 -3.996 1.00 0.00 C ATOM 1019 CG ASP A 65 14.447 8.784 -5.006 1.00 0.00 C ATOM 1020 OD1 ASP A 65 14.050 8.592 -6.174 1.00 0.00 O ATOM 1021 OD2 ASP A 65 14.979 9.848 -4.628 1.00 0.00 O ATOM 0 H ASP A 65 14.598 5.567 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 65 14.373 6.077 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.218 7.540 -3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.769 7.943 -3.064 1.00 0.00 H new ATOM 1026 N SER A 66 16.821 5.907 -5.838 1.00 0.00 N ATOM 1027 CA SER A 66 18.238 5.959 -6.179 1.00 0.00 C ATOM 1028 C SER A 66 18.462 6.777 -7.447 1.00 0.00 C ATOM 1029 O SER A 66 19.267 6.409 -8.302 1.00 0.00 O ATOM 1030 CB SER A 66 18.792 4.546 -6.364 1.00 0.00 C ATOM 1031 OG SER A 66 18.196 3.907 -7.480 1.00 0.00 O ATOM 0 H SER A 66 16.242 5.409 -6.514 1.00 0.00 H new ATOM 0 HA SER A 66 18.767 6.443 -5.358 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.872 4.591 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 66 18.608 3.959 -5.464 1.00 0.00 H new ATOM 0 HG SER A 66 18.568 3.006 -7.578 1.00 0.00 H new ATOM 1037 N GLY A 67 17.744 7.890 -7.561 1.00 0.00 N ATOM 1038 CA GLY A 67 17.877 8.743 -8.728 1.00 0.00 C ATOM 1039 C GLY A 67 19.310 9.175 -8.969 1.00 0.00 C ATOM 1040 O GLY A 67 20.034 8.582 -9.768 1.00 0.00 O ATOM 0 H GLY A 67 17.072 8.216 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.508 8.213 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 67 17.251 9.626 -8.602 1.00 0.00 H new ATOM 1044 N PRO A 68 19.736 10.236 -8.267 1.00 0.00 N ATOM 1045 CA PRO A 68 21.095 10.773 -8.393 1.00 0.00 C ATOM 1046 C PRO A 68 22.145 9.837 -7.803 1.00 0.00 C ATOM 1047 O PRO A 68 22.539 9.980 -6.645 1.00 0.00 O ATOM 1048 CB PRO A 68 21.035 12.079 -7.596 1.00 0.00 C ATOM 1049 CG PRO A 68 19.935 11.872 -6.612 1.00 0.00 C ATOM 1050 CD PRO A 68 18.927 10.993 -7.298 1.00 0.00 C ATOM 0 HA PRO A 68 21.386 10.906 -9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 68 21.982 12.281 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.830 12.930 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.308 11.402 -5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.489 12.823 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 68 18.424 10.332 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.153 11.580 -7.793 1.00 0.00 H new ATOM 1058 N SER A 69 22.595 8.879 -8.608 1.00 0.00 N ATOM 1059 CA SER A 69 23.597 7.918 -8.164 1.00 0.00 C ATOM 1060 C SER A 69 24.994 8.531 -8.202 1.00 0.00 C ATOM 1061 O SER A 69 25.459 8.978 -9.250 1.00 0.00 O ATOM 1062 CB SER A 69 23.555 6.664 -9.040 1.00 0.00 C ATOM 1063 OG SER A 69 24.472 5.688 -8.578 1.00 0.00 O ATOM 0 H SER A 69 22.282 8.748 -9.570 1.00 0.00 H new ATOM 0 HA SER A 69 23.368 7.642 -7.135 1.00 0.00 H new ATOM 0 HB2 SER A 69 22.547 6.250 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.790 6.929 -10.071 1.00 0.00 H new ATOM 0 HG SER A 69 24.425 4.896 -9.153 1.00 0.00 H new ATOM 1069 N SER A 70 25.656 8.549 -7.050 1.00 0.00 N ATOM 1070 CA SER A 70 26.998 9.112 -6.949 1.00 0.00 C ATOM 1071 C SER A 70 28.050 8.006 -6.917 1.00 0.00 C ATOM 1072 O SER A 70 27.974 7.086 -6.103 1.00 0.00 O ATOM 1073 CB SER A 70 27.117 9.980 -5.695 1.00 0.00 C ATOM 1074 OG SER A 70 26.317 11.145 -5.805 1.00 0.00 O ATOM 0 H SER A 70 25.286 8.181 -6.174 1.00 0.00 H new ATOM 0 HA SER A 70 27.173 9.731 -7.829 1.00 0.00 H new ATOM 0 HB2 SER A 70 26.811 9.406 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 70 28.158 10.263 -5.542 1.00 0.00 H new ATOM 0 HG SER A 70 26.408 11.683 -4.991 1.00 0.00 H new ATOM 1080 N GLY A 71 29.030 8.104 -7.808 1.00 0.00 N ATOM 1081 CA GLY A 71 30.083 7.108 -7.866 1.00 0.00 C ATOM 1082 C GLY A 71 30.922 7.076 -6.604 1.00 0.00 C ATOM 1083 O GLY A 71 31.719 7.981 -6.358 1.00 0.00 O ATOM 0 H GLY A 71 29.114 8.856 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 71 29.641 6.125 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 71 30.727 7.314 -8.721 1.00 0.00 H new TER 1087 GLY A 71