USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 Set 1.1: A 17 GLN : amide:sc= -0.59 K(o=0.43,f=-13!) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -137:sc= 1.02 (180deg=-1.02) USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0169 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00233 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 12 CYS SG : rot 180:sc= -0.909 USER MOD Single : A 15 LYS NZ :NH3+ -114:sc= 0.139 (180deg=-0.277) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0363 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.6!) USER MOD Single : A 60 THR OG1 : rot 25:sc= 0.648 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 0.0171 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.071 K(o=-0.071,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.7!) USER MOD Single : A 72 CYS SG : rot 15:sc= -3.28 USER MOD Single : A 76 CYS SG : rot 56:sc= -2.67 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 93 SER OG : rot -77:sc= 0.0175 USER MOD Single : A 94 SER OG : rot 3:sc= 0.708 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.548 -18.142 2.909 1.00 0.00 N ATOM 2 CA GLY A 1 13.745 -17.476 3.495 1.00 0.00 C ATOM 3 C GLY A 1 13.393 -16.566 4.655 1.00 0.00 C ATOM 4 O GLY A 1 12.312 -15.979 4.687 1.00 0.00 O ATOM 0 H1 GLY A 1 12.479 -19.114 3.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.692 -17.613 3.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.636 -18.165 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.450 -18.235 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.249 -16.896 2.722 1.00 0.00 H new ATOM 10 N SER A 2 14.309 -16.451 5.612 1.00 0.00 N ATOM 11 CA SER A 2 14.090 -15.606 6.779 1.00 0.00 C ATOM 12 C SER A 2 14.790 -14.261 6.617 1.00 0.00 C ATOM 13 O SER A 2 15.278 -13.681 7.588 1.00 0.00 O ATOM 14 CB SER A 2 14.594 -16.306 8.042 1.00 0.00 C ATOM 15 OG SER A 2 15.913 -16.792 7.866 1.00 0.00 O ATOM 0 H SER A 2 15.208 -16.932 5.602 1.00 0.00 H new ATOM 0 HA SER A 2 13.019 -15.429 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.569 -15.611 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.929 -17.133 8.293 1.00 0.00 H new ATOM 0 HG SER A 2 16.211 -17.233 8.689 1.00 0.00 H new ATOM 21 N SER A 3 14.837 -13.770 5.383 1.00 0.00 N ATOM 22 CA SER A 3 15.478 -12.492 5.092 1.00 0.00 C ATOM 23 C SER A 3 14.739 -11.346 5.776 1.00 0.00 C ATOM 24 O SER A 3 13.711 -11.554 6.421 1.00 0.00 O ATOM 25 CB SER A 3 15.528 -12.254 3.582 1.00 0.00 C ATOM 26 OG SER A 3 16.565 -11.352 3.241 1.00 0.00 O ATOM 0 H SER A 3 14.439 -14.237 4.568 1.00 0.00 H new ATOM 0 HA SER A 3 16.496 -12.527 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.682 -13.202 3.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.571 -11.858 3.241 1.00 0.00 H new ATOM 0 HG SER A 3 16.576 -11.218 2.270 1.00 0.00 H new ATOM 32 N GLY A 4 15.269 -10.137 5.630 1.00 0.00 N ATOM 33 CA GLY A 4 14.646 -8.975 6.239 1.00 0.00 C ATOM 34 C GLY A 4 15.098 -7.675 5.606 1.00 0.00 C ATOM 35 O GLY A 4 16.294 -7.392 5.539 1.00 0.00 O ATOM 0 H GLY A 4 16.119 -9.940 5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.563 -9.060 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.880 -8.958 7.303 1.00 0.00 H new ATOM 39 N SER A 5 14.139 -6.883 5.138 1.00 0.00 N ATOM 40 CA SER A 5 14.442 -5.604 4.506 1.00 0.00 C ATOM 41 C SER A 5 13.633 -4.477 5.140 1.00 0.00 C ATOM 42 O SER A 5 12.403 -4.502 5.130 1.00 0.00 O ATOM 43 CB SER A 5 14.155 -5.672 3.005 1.00 0.00 C ATOM 44 OG SER A 5 14.243 -7.004 2.529 1.00 0.00 O ATOM 0 H SER A 5 13.144 -7.105 5.185 1.00 0.00 H new ATOM 0 HA SER A 5 15.501 -5.395 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.160 -5.275 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.864 -5.043 2.467 1.00 0.00 H new ATOM 0 HG SER A 5 14.054 -7.021 1.568 1.00 0.00 H new ATOM 50 N SER A 6 14.333 -3.490 5.690 1.00 0.00 N ATOM 51 CA SER A 6 13.678 -2.354 6.328 1.00 0.00 C ATOM 52 C SER A 6 13.462 -1.219 5.330 1.00 0.00 C ATOM 53 O SER A 6 14.274 -1.010 4.427 1.00 0.00 O ATOM 54 CB SER A 6 14.512 -1.855 7.511 1.00 0.00 C ATOM 55 OG SER A 6 15.093 -2.938 8.216 1.00 0.00 O ATOM 0 H SER A 6 15.352 -3.454 5.707 1.00 0.00 H new ATOM 0 HA SER A 6 12.705 -2.685 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.296 -1.188 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.882 -1.274 8.185 1.00 0.00 H new ATOM 0 HG SER A 6 15.622 -2.594 8.966 1.00 0.00 H new ATOM 61 N GLY A 7 12.364 -0.490 5.498 1.00 0.00 N ATOM 62 CA GLY A 7 12.062 0.613 4.605 1.00 0.00 C ATOM 63 C GLY A 7 10.849 1.405 5.050 1.00 0.00 C ATOM 64 O GLY A 7 10.960 2.309 5.879 1.00 0.00 O ATOM 0 H GLY A 7 11.678 -0.643 6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.925 1.277 4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.891 0.226 3.600 1.00 0.00 H new ATOM 68 N ILE A 8 9.688 1.066 4.499 1.00 0.00 N ATOM 69 CA ILE A 8 8.449 1.752 4.844 1.00 0.00 C ATOM 70 C ILE A 8 7.427 0.782 5.425 1.00 0.00 C ATOM 71 O ILE A 8 7.020 -0.175 4.766 1.00 0.00 O ATOM 72 CB ILE A 8 7.834 2.452 3.616 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.895 3.279 2.888 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.665 3.330 4.037 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.382 3.948 1.631 1.00 0.00 C ATOM 0 H ILE A 8 9.580 0.320 3.812 1.00 0.00 H new ATOM 0 HA ILE A 8 8.701 2.502 5.593 1.00 0.00 H new ATOM 0 HB ILE A 8 7.462 1.691 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.278 4.042 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.734 2.633 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.241 3.817 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.902 2.715 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.013 4.087 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.188 4.517 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.026 3.189 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.563 4.620 1.885 1.00 0.00 H new ATOM 87 N ASP A 9 7.015 1.034 6.663 1.00 0.00 N ATOM 88 CA ASP A 9 6.040 0.183 7.333 1.00 0.00 C ATOM 89 C ASP A 9 4.821 0.989 7.767 1.00 0.00 C ATOM 90 O ASP A 9 4.715 2.180 7.474 1.00 0.00 O ATOM 91 CB ASP A 9 6.675 -0.497 8.548 1.00 0.00 C ATOM 92 CG ASP A 9 6.176 -1.914 8.745 1.00 0.00 C ATOM 93 OD1 ASP A 9 6.165 -2.683 7.761 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.795 -2.257 9.885 1.00 0.00 O ATOM 0 H ASP A 9 7.342 1.822 7.223 1.00 0.00 H new ATOM 0 HA ASP A 9 5.715 -0.580 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.758 -0.510 8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.460 0.088 9.442 1.00 0.00 H new ATOM 99 N VAL A 10 3.901 0.333 8.468 1.00 0.00 N ATOM 100 CA VAL A 10 2.690 0.990 8.942 1.00 0.00 C ATOM 101 C VAL A 10 3.016 2.057 9.982 1.00 0.00 C ATOM 102 O VAL A 10 3.816 1.831 10.889 1.00 0.00 O ATOM 103 CB VAL A 10 1.701 -0.023 9.552 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.391 0.658 9.918 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.458 -1.178 8.591 1.00 0.00 C ATOM 0 H VAL A 10 3.972 -0.653 8.720 1.00 0.00 H new ATOM 0 HA VAL A 10 2.225 1.461 8.075 1.00 0.00 H new ATOM 0 HB VAL A 10 2.141 -0.425 10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.293 -0.075 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.582 1.446 10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.056 1.091 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.757 -1.883 9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.042 -0.795 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.401 -1.685 8.385 1.00 0.00 H new ATOM 115 N GLY A 11 2.389 3.221 9.842 1.00 0.00 N ATOM 116 CA GLY A 11 2.626 4.307 10.776 1.00 0.00 C ATOM 117 C GLY A 11 3.885 5.087 10.452 1.00 0.00 C ATOM 118 O GLY A 11 4.685 5.380 11.340 1.00 0.00 O ATOM 0 H GLY A 11 1.722 3.431 9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.771 4.983 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.702 3.903 11.786 1.00 0.00 H new ATOM 122 N CYS A 12 4.060 5.422 9.179 1.00 0.00 N ATOM 123 CA CYS A 12 5.233 6.173 8.742 1.00 0.00 C ATOM 124 C CYS A 12 4.867 7.157 7.631 1.00 0.00 C ATOM 125 O CYS A 12 4.081 6.834 6.741 1.00 0.00 O ATOM 126 CB CYS A 12 6.324 5.216 8.255 1.00 0.00 C ATOM 127 SG CYS A 12 7.979 5.614 8.863 1.00 0.00 S ATOM 0 H CYS A 12 3.407 5.187 8.432 1.00 0.00 H new ATOM 0 HA CYS A 12 5.610 6.739 9.594 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.069 4.203 8.565 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.338 5.222 7.165 1.00 0.00 H new ATOM 0 HG CYS A 12 8.831 4.749 8.400 1.00 0.00 H new ATOM 133 N PRO A 13 5.436 8.376 7.668 1.00 0.00 N ATOM 134 CA PRO A 13 5.162 9.403 6.657 1.00 0.00 C ATOM 135 C PRO A 13 5.863 9.112 5.334 1.00 0.00 C ATOM 136 O PRO A 13 7.085 8.976 5.284 1.00 0.00 O ATOM 137 CB PRO A 13 5.723 10.674 7.292 1.00 0.00 C ATOM 138 CG PRO A 13 6.819 10.198 8.180 1.00 0.00 C ATOM 139 CD PRO A 13 6.387 8.850 8.692 1.00 0.00 C ATOM 0 HA PRO A 13 4.102 9.464 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.097 11.363 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.958 11.206 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.759 10.124 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.983 10.893 9.003 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.233 8.171 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.916 8.926 9.672 1.00 0.00 H new ATOM 147 N VAL A 14 5.079 9.021 4.264 1.00 0.00 N ATOM 148 CA VAL A 14 5.623 8.747 2.939 1.00 0.00 C ATOM 149 C VAL A 14 4.808 9.443 1.855 1.00 0.00 C ATOM 150 O VAL A 14 3.578 9.466 1.906 1.00 0.00 O ATOM 151 CB VAL A 14 5.658 7.236 2.647 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.707 6.547 3.507 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.287 6.617 2.867 1.00 0.00 C ATOM 0 H VAL A 14 4.065 9.133 4.289 1.00 0.00 H new ATOM 0 HA VAL A 14 6.642 9.135 2.930 1.00 0.00 H new ATOM 0 HB VAL A 14 5.931 7.095 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.716 5.480 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.688 6.970 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.470 6.697 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.332 5.549 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.981 6.770 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.564 7.088 2.201 1.00 0.00 H new ATOM 163 N LYS A 15 5.502 10.012 0.873 1.00 0.00 N ATOM 164 CA LYS A 15 4.842 10.709 -0.224 1.00 0.00 C ATOM 165 C LYS A 15 4.425 9.734 -1.320 1.00 0.00 C ATOM 166 O LYS A 15 5.207 8.878 -1.734 1.00 0.00 O ATOM 167 CB LYS A 15 5.769 11.780 -0.804 1.00 0.00 C ATOM 168 CG LYS A 15 6.247 12.791 0.224 1.00 0.00 C ATOM 169 CD LYS A 15 7.157 13.835 -0.403 1.00 0.00 C ATOM 170 CE LYS A 15 7.030 15.178 0.297 1.00 0.00 C ATOM 171 NZ LYS A 15 5.909 15.988 -0.255 1.00 0.00 N ATOM 0 H LYS A 15 6.520 10.003 0.816 1.00 0.00 H new ATOM 0 HA LYS A 15 3.945 11.186 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.635 11.294 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.247 12.306 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.387 13.283 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.780 12.275 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.191 13.494 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.909 13.949 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.871 15.018 1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.963 15.731 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.290 16.834 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.377 15.420 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.276 16.277 0.518 1.00 0.00 H new ATOM 185 N VAL A 16 3.187 9.870 -1.786 1.00 0.00 N ATOM 186 CA VAL A 16 2.664 9.002 -2.834 1.00 0.00 C ATOM 187 C VAL A 16 2.388 9.788 -4.111 1.00 0.00 C ATOM 188 O VAL A 16 1.886 10.912 -4.063 1.00 0.00 O ATOM 189 CB VAL A 16 1.370 8.297 -2.388 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.969 7.229 -3.394 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.539 7.697 -0.999 1.00 0.00 C ATOM 0 H VAL A 16 2.528 10.574 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 16 3.428 8.250 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 16 0.572 9.038 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.052 6.742 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.802 7.690 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.765 6.488 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.614 7.203 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.351 6.970 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.773 8.488 -0.287 1.00 0.00 H new ATOM 201 N GLN A 17 2.716 9.191 -5.253 1.00 0.00 N ATOM 202 CA GLN A 17 2.502 9.836 -6.543 1.00 0.00 C ATOM 203 C GLN A 17 1.132 9.477 -7.110 1.00 0.00 C ATOM 204 O GLN A 17 0.819 8.302 -7.303 1.00 0.00 O ATOM 205 CB GLN A 17 3.599 9.428 -7.530 1.00 0.00 C ATOM 206 CG GLN A 17 3.776 10.408 -8.679 1.00 0.00 C ATOM 207 CD GLN A 17 5.180 10.978 -8.752 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.156 10.293 -8.446 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.287 12.237 -9.158 1.00 0.00 N ATOM 0 H GLN A 17 3.131 8.261 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 17 2.542 10.915 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.543 9.335 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.364 8.444 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.543 9.906 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.062 11.224 -8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.450 12.767 -9.402 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.206 12.674 -9.227 1.00 0.00 H new ATOM 218 N LEU A 18 0.321 10.495 -7.375 1.00 0.00 N ATOM 219 CA LEU A 18 -1.015 10.285 -7.919 1.00 0.00 C ATOM 220 C LEU A 18 -1.061 10.634 -9.404 1.00 0.00 C ATOM 221 O LEU A 18 -1.506 9.834 -10.226 1.00 0.00 O ATOM 222 CB LEU A 18 -2.039 11.126 -7.153 1.00 0.00 C ATOM 223 CG LEU A 18 -2.348 10.635 -5.738 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.403 11.516 -5.086 1.00 0.00 C ATOM 225 CD2 LEU A 18 -2.805 9.185 -5.765 1.00 0.00 C ATOM 0 H LEU A 18 0.565 11.473 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.264 9.230 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.674 12.151 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.967 11.150 -7.724 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.435 10.697 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.610 11.152 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.038 12.542 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.318 11.487 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.020 8.852 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.705 9.098 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.018 8.563 -6.191 1.00 0.00 H new ATOM 237 N ARG A 19 -0.597 11.834 -9.739 1.00 0.00 N ATOM 238 CA ARG A 19 -0.585 12.288 -11.125 1.00 0.00 C ATOM 239 C ARG A 19 0.420 11.490 -11.950 1.00 0.00 C ATOM 240 O ARG A 19 1.037 10.547 -11.453 1.00 0.00 O ATOM 241 CB ARG A 19 -0.248 13.779 -11.192 1.00 0.00 C ATOM 242 CG ARG A 19 -1.473 14.678 -11.219 1.00 0.00 C ATOM 243 CD ARG A 19 -1.238 15.963 -10.442 1.00 0.00 C ATOM 244 NE ARG A 19 -2.306 16.937 -10.659 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.534 16.813 -10.159 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.852 15.764 -9.411 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.445 17.743 -10.406 1.00 0.00 N ATOM 0 H ARG A 19 -0.225 12.509 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.579 12.128 -11.543 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.367 14.043 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.351 13.968 -12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.727 14.917 -12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.325 14.146 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.165 15.735 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.284 16.398 -10.741 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.099 17.759 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.154 15.046 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.794 15.675 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.205 18.552 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.386 17.649 -10.024 1.00 0.00 H new ATOM 261 N SER A 20 0.580 11.873 -13.212 1.00 0.00 N ATOM 262 CA SER A 20 1.510 11.193 -14.106 1.00 0.00 C ATOM 263 C SER A 20 2.862 11.902 -14.124 1.00 0.00 C ATOM 264 O SER A 20 3.235 12.524 -15.119 1.00 0.00 O ATOM 265 CB SER A 20 0.934 11.126 -15.522 1.00 0.00 C ATOM 266 OG SER A 20 0.205 12.300 -15.833 1.00 0.00 O ATOM 0 H SER A 20 0.077 12.651 -13.639 1.00 0.00 H new ATOM 0 HA SER A 20 1.657 10.179 -13.735 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.743 10.996 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.284 10.256 -15.612 1.00 0.00 H new ATOM 0 HG SER A 20 -0.151 12.232 -16.744 1.00 0.00 H new ATOM 272 N GLY A 21 3.589 11.804 -13.017 1.00 0.00 N ATOM 273 CA GLY A 21 4.891 12.439 -12.927 1.00 0.00 C ATOM 274 C GLY A 21 4.794 13.917 -12.602 1.00 0.00 C ATOM 275 O GLY A 21 5.438 14.744 -13.247 1.00 0.00 O ATOM 0 H GLY A 21 3.301 11.297 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.483 11.940 -12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.420 12.312 -13.871 1.00 0.00 H new ATOM 279 N GLU A 22 3.986 14.250 -11.600 1.00 0.00 N ATOM 280 CA GLU A 22 3.808 15.639 -11.192 1.00 0.00 C ATOM 281 C GLU A 22 4.407 15.881 -9.810 1.00 0.00 C ATOM 282 O GLU A 22 5.413 16.577 -9.672 1.00 0.00 O ATOM 283 CB GLU A 22 2.322 16.005 -11.190 1.00 0.00 C ATOM 284 CG GLU A 22 2.032 17.373 -11.786 1.00 0.00 C ATOM 285 CD GLU A 22 1.555 17.292 -13.224 1.00 0.00 C ATOM 286 OE1 GLU A 22 0.383 16.917 -13.439 1.00 0.00 O ATOM 287 OE2 GLU A 22 2.352 17.605 -14.132 1.00 0.00 O ATOM 0 H GLU A 22 3.445 13.578 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 22 4.330 16.273 -11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.770 15.250 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.951 15.978 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.275 17.875 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.933 17.984 -11.740 1.00 0.00 H new ATOM 294 N GLU A 23 3.784 15.298 -8.791 1.00 0.00 N ATOM 295 CA GLU A 23 4.256 15.449 -7.420 1.00 0.00 C ATOM 296 C GLU A 23 3.758 14.302 -6.545 1.00 0.00 C ATOM 297 O GLU A 23 2.823 13.590 -6.910 1.00 0.00 O ATOM 298 CB GLU A 23 3.791 16.788 -6.841 1.00 0.00 C ATOM 299 CG GLU A 23 4.833 17.889 -6.947 1.00 0.00 C ATOM 300 CD GLU A 23 4.837 18.806 -5.740 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.768 19.363 -5.413 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.910 18.967 -5.120 1.00 0.00 O ATOM 0 H GLU A 23 2.951 14.717 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 23 5.346 15.427 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.886 17.104 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.526 16.649 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.820 17.440 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.645 18.477 -7.845 1.00 0.00 H new ATOM 309 N LYS A 24 4.388 14.131 -5.387 1.00 0.00 N ATOM 310 CA LYS A 24 4.010 13.071 -4.459 1.00 0.00 C ATOM 311 C LYS A 24 3.458 13.654 -3.163 1.00 0.00 C ATOM 312 O LYS A 24 4.186 14.274 -2.390 1.00 0.00 O ATOM 313 CB LYS A 24 5.213 12.175 -4.156 1.00 0.00 C ATOM 314 CG LYS A 24 5.694 11.375 -5.355 1.00 0.00 C ATOM 315 CD LYS A 24 6.595 10.225 -4.931 1.00 0.00 C ATOM 316 CE LYS A 24 7.571 9.845 -6.033 1.00 0.00 C ATOM 317 NZ LYS A 24 7.153 8.604 -6.743 1.00 0.00 N ATOM 0 H LYS A 24 5.163 14.713 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 24 3.230 12.473 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.033 12.793 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.950 11.487 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.836 10.984 -5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.235 12.030 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.148 10.506 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.985 9.360 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.647 10.664 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.563 9.702 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.982 7.995 -6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.450 8.096 -6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.734 8.854 -7.662 1.00 0.00 H new ATOM 331 N PHE A 25 2.165 13.449 -2.930 1.00 0.00 N ATOM 332 CA PHE A 25 1.516 13.955 -1.725 1.00 0.00 C ATOM 333 C PHE A 25 1.954 13.156 -0.498 1.00 0.00 C ATOM 334 O PHE A 25 1.974 11.927 -0.527 1.00 0.00 O ATOM 335 CB PHE A 25 -0.005 13.891 -1.874 1.00 0.00 C ATOM 336 CG PHE A 25 -0.540 14.780 -2.961 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.272 16.140 -2.956 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.308 14.256 -3.988 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.761 16.960 -3.954 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.801 15.071 -4.989 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.527 16.425 -4.972 1.00 0.00 C ATOM 0 H PHE A 25 1.547 12.937 -3.559 1.00 0.00 H new ATOM 0 HA PHE A 25 1.816 14.994 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.299 12.862 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.467 14.171 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.326 16.563 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.524 13.198 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.545 18.018 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.400 14.650 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.911 17.064 -5.753 1.00 0.00 H new ATOM 351 N PRO A 26 2.312 13.847 0.601 1.00 0.00 N ATOM 352 CA PRO A 26 2.750 13.187 1.835 1.00 0.00 C ATOM 353 C PRO A 26 1.590 12.558 2.601 1.00 0.00 C ATOM 354 O PRO A 26 0.485 13.099 2.629 1.00 0.00 O ATOM 355 CB PRO A 26 3.366 14.329 2.641 1.00 0.00 C ATOM 356 CG PRO A 26 2.637 15.544 2.183 1.00 0.00 C ATOM 357 CD PRO A 26 2.320 15.318 0.728 1.00 0.00 C ATOM 0 HA PRO A 26 3.437 12.364 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.241 14.171 3.712 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.436 14.414 2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.725 15.693 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.247 16.437 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.357 15.750 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.068 15.773 0.079 1.00 0.00 H new ATOM 365 N GLY A 27 1.851 11.411 3.220 1.00 0.00 N ATOM 366 CA GLY A 27 0.820 10.727 3.978 1.00 0.00 C ATOM 367 C GLY A 27 1.390 9.694 4.932 1.00 0.00 C ATOM 368 O GLY A 27 2.495 9.192 4.726 1.00 0.00 O ATOM 0 H GLY A 27 2.757 10.943 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.243 11.459 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.130 10.239 3.289 1.00 0.00 H new ATOM 372 N VAL A 28 0.635 9.376 5.978 1.00 0.00 N ATOM 373 CA VAL A 28 1.072 8.397 6.966 1.00 0.00 C ATOM 374 C VAL A 28 0.518 7.012 6.647 1.00 0.00 C ATOM 375 O VAL A 28 -0.675 6.854 6.389 1.00 0.00 O ATOM 376 CB VAL A 28 0.637 8.803 8.389 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.880 8.874 8.489 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.202 7.834 9.418 1.00 0.00 C ATOM 0 H VAL A 28 -0.282 9.782 6.163 1.00 0.00 H new ATOM 0 HA VAL A 28 2.161 8.366 6.925 1.00 0.00 H new ATOM 0 HB VAL A 28 1.036 9.795 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.165 9.162 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.257 9.613 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.306 7.898 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.884 8.137 10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.836 6.828 9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.291 7.842 9.366 1.00 0.00 H new ATOM 388 N VAL A 29 1.392 6.011 6.667 1.00 0.00 N ATOM 389 CA VAL A 29 0.990 4.640 6.378 1.00 0.00 C ATOM 390 C VAL A 29 0.042 4.110 7.449 1.00 0.00 C ATOM 391 O VAL A 29 0.323 4.207 8.644 1.00 0.00 O ATOM 392 CB VAL A 29 2.211 3.706 6.280 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.790 2.327 5.796 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.270 4.300 5.362 1.00 0.00 C ATOM 0 H VAL A 29 2.383 6.124 6.880 1.00 0.00 H new ATOM 0 HA VAL A 29 0.477 4.655 5.417 1.00 0.00 H new ATOM 0 HB VAL A 29 2.644 3.602 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.665 1.681 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.073 1.899 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.330 2.412 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.124 3.625 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.851 4.438 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.594 5.263 5.756 1.00 0.00 H new ATOM 404 N ARG A 30 -1.082 3.551 7.013 1.00 0.00 N ATOM 405 CA ARG A 30 -2.074 3.009 7.935 1.00 0.00 C ATOM 406 C ARG A 30 -2.204 1.496 7.776 1.00 0.00 C ATOM 407 O ARG A 30 -2.522 0.788 8.732 1.00 0.00 O ATOM 408 CB ARG A 30 -3.431 3.676 7.706 1.00 0.00 C ATOM 409 CG ARG A 30 -3.391 5.191 7.819 1.00 0.00 C ATOM 410 CD ARG A 30 -2.831 5.636 9.162 1.00 0.00 C ATOM 411 NE ARG A 30 -3.617 6.716 9.752 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.507 7.105 11.019 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.645 6.507 11.833 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.261 8.097 11.475 1.00 0.00 N ATOM 0 H ARG A 30 -1.329 3.461 6.027 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.739 3.219 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.798 3.403 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.146 3.285 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.780 5.601 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.396 5.593 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.811 4.787 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.800 5.966 9.033 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.290 7.200 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.062 5.744 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.566 6.810 12.804 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.924 8.560 10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.177 8.396 12.447 1.00 0.00 H new ATOM 428 N PHE A 31 -1.959 1.007 6.564 1.00 0.00 N ATOM 429 CA PHE A 31 -2.051 -0.422 6.284 1.00 0.00 C ATOM 430 C PHE A 31 -1.038 -0.834 5.221 1.00 0.00 C ATOM 431 O PHE A 31 -0.454 0.014 4.545 1.00 0.00 O ATOM 432 CB PHE A 31 -3.466 -0.781 5.825 1.00 0.00 C ATOM 433 CG PHE A 31 -3.745 -2.257 5.832 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.137 -2.896 6.998 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.614 -3.006 4.674 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.394 -4.253 7.007 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.869 -4.363 4.677 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.261 -4.988 5.846 1.00 0.00 C ATOM 0 H PHE A 31 -1.696 1.578 5.761 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.826 -0.964 7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.187 -0.281 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.621 -0.395 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.243 -2.326 7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.309 -2.523 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.699 -4.739 7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.762 -4.935 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.463 -6.049 5.851 1.00 0.00 H new ATOM 448 N ARG A 32 -0.833 -2.139 5.077 1.00 0.00 N ATOM 449 CA ARG A 32 0.111 -2.663 4.096 1.00 0.00 C ATOM 450 C ARG A 32 -0.117 -4.153 3.864 1.00 0.00 C ATOM 451 O ARG A 32 -0.405 -4.900 4.799 1.00 0.00 O ATOM 452 CB ARG A 32 1.548 -2.418 4.561 1.00 0.00 C ATOM 453 CG ARG A 32 2.600 -2.934 3.590 1.00 0.00 C ATOM 454 CD ARG A 32 3.853 -3.394 4.318 1.00 0.00 C ATOM 455 NE ARG A 32 3.941 -4.851 4.387 1.00 0.00 N ATOM 456 CZ ARG A 32 4.758 -5.506 5.209 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.556 -4.840 6.033 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.775 -6.832 5.207 1.00 0.00 N ATOM 0 H ARG A 32 -1.308 -2.854 5.628 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.052 -2.140 3.154 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.696 -1.348 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.694 -2.896 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.189 -3.762 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.858 -2.148 2.880 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.733 -3.001 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.858 -2.982 5.327 1.00 0.00 H new ATOM 0 HE ARG A 32 3.341 -5.398 3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.546 -3.820 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.180 -5.348 6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.163 -7.349 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.401 -7.335 5.836 1.00 0.00 H new ATOM 472 N GLY A 33 0.015 -4.578 2.612 1.00 0.00 N ATOM 473 CA GLY A 33 -0.178 -5.978 2.280 1.00 0.00 C ATOM 474 C GLY A 33 -0.839 -6.168 0.926 1.00 0.00 C ATOM 475 O GLY A 33 -1.650 -5.341 0.509 1.00 0.00 O ATOM 0 H GLY A 33 0.252 -3.979 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.787 -6.486 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.790 -6.450 3.049 1.00 0.00 H new ATOM 479 N PRO A 34 -0.511 -7.258 0.212 1.00 0.00 N ATOM 480 CA PRO A 34 -1.089 -7.542 -1.106 1.00 0.00 C ATOM 481 C PRO A 34 -2.557 -7.948 -1.020 1.00 0.00 C ATOM 482 O PRO A 34 -3.002 -8.495 -0.011 1.00 0.00 O ATOM 483 CB PRO A 34 -0.243 -8.708 -1.620 1.00 0.00 C ATOM 484 CG PRO A 34 0.255 -9.386 -0.391 1.00 0.00 C ATOM 485 CD PRO A 34 0.447 -8.299 0.631 1.00 0.00 C ATOM 0 HA PRO A 34 -1.073 -6.666 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.835 -9.386 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.582 -8.356 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.459 -10.131 -0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.191 -9.909 -0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.237 -8.655 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.471 -7.925 0.632 1.00 0.00 H new ATOM 493 N LEU A 35 -3.304 -7.675 -2.084 1.00 0.00 N ATOM 494 CA LEU A 35 -4.722 -8.013 -2.130 1.00 0.00 C ATOM 495 C LEU A 35 -4.926 -9.520 -2.019 1.00 0.00 C ATOM 496 O LEU A 35 -5.777 -9.988 -1.265 1.00 0.00 O ATOM 497 CB LEU A 35 -5.350 -7.495 -3.425 1.00 0.00 C ATOM 498 CG LEU A 35 -5.471 -5.973 -3.524 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.589 -5.541 -4.977 1.00 0.00 C ATOM 500 CD2 LEU A 35 -6.664 -5.481 -2.719 1.00 0.00 C ATOM 0 H LEU A 35 -2.951 -7.221 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.211 -7.535 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.757 -7.852 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.344 -7.930 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.568 -5.527 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.674 -4.456 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.703 -5.862 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.475 -5.996 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.735 -4.396 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.576 -5.935 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.536 -5.759 -1.673 1.00 0.00 H new ATOM 512 N LEU A 36 -4.137 -10.276 -2.777 1.00 0.00 N ATOM 513 CA LEU A 36 -4.229 -11.731 -2.764 1.00 0.00 C ATOM 514 C LEU A 36 -2.923 -12.355 -2.286 1.00 0.00 C ATOM 515 O LEU A 36 -1.873 -11.713 -2.302 1.00 0.00 O ATOM 516 CB LEU A 36 -4.576 -12.253 -4.161 1.00 0.00 C ATOM 517 CG LEU A 36 -6.053 -12.147 -4.544 1.00 0.00 C ATOM 518 CD1 LEU A 36 -6.441 -10.695 -4.774 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.341 -12.981 -5.783 1.00 0.00 C ATOM 0 H LEU A 36 -3.427 -9.904 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.021 -12.014 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.986 -11.703 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.273 -13.298 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.653 -12.535 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.495 -10.639 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.270 -10.124 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.836 -10.280 -5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.396 -12.895 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.733 -12.622 -6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.101 -14.025 -5.583 1.00 0.00 H new ATOM 531 N ALA A 37 -2.995 -13.612 -1.859 1.00 0.00 N ATOM 532 CA ALA A 37 -1.818 -14.324 -1.374 1.00 0.00 C ATOM 533 C ALA A 37 -1.577 -15.596 -2.180 1.00 0.00 C ATOM 534 O ALA A 37 -2.086 -16.664 -1.840 1.00 0.00 O ATOM 535 CB ALA A 37 -1.973 -14.654 0.103 1.00 0.00 C ATOM 0 H ALA A 37 -3.856 -14.158 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.952 -13.675 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.088 -15.185 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.090 -13.731 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.852 -15.282 0.245 1.00 0.00 H new ATOM 541 N GLU A 38 -0.798 -15.474 -3.249 1.00 0.00 N ATOM 542 CA GLU A 38 -0.489 -16.615 -4.105 1.00 0.00 C ATOM 543 C GLU A 38 0.986 -17.001 -4.004 1.00 0.00 C ATOM 544 O GLU A 38 1.381 -18.087 -4.430 1.00 0.00 O ATOM 545 CB GLU A 38 -0.846 -16.297 -5.559 1.00 0.00 C ATOM 546 CG GLU A 38 -2.236 -16.763 -5.959 1.00 0.00 C ATOM 547 CD GLU A 38 -2.786 -16.000 -7.149 1.00 0.00 C ATOM 548 OE1 GLU A 38 -2.352 -16.280 -8.285 1.00 0.00 O ATOM 549 OE2 GLU A 38 -3.651 -15.123 -6.944 1.00 0.00 O ATOM 0 H GLU A 38 -0.369 -14.597 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.086 -17.461 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.774 -15.221 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.112 -16.765 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.204 -17.826 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.912 -16.646 -5.112 1.00 0.00 H new ATOM 556 N ARG A 39 1.798 -16.110 -3.441 1.00 0.00 N ATOM 557 CA ARG A 39 3.227 -16.365 -3.288 1.00 0.00 C ATOM 558 C ARG A 39 3.897 -16.523 -4.651 1.00 0.00 C ATOM 559 O ARG A 39 4.715 -17.420 -4.854 1.00 0.00 O ATOM 560 CB ARG A 39 3.456 -17.619 -2.441 1.00 0.00 C ATOM 561 CG ARG A 39 3.567 -17.334 -0.952 1.00 0.00 C ATOM 562 CD ARG A 39 2.894 -18.417 -0.124 1.00 0.00 C ATOM 563 NE ARG A 39 3.672 -18.760 1.064 1.00 0.00 N ATOM 564 CZ ARG A 39 3.172 -19.396 2.120 1.00 0.00 C ATOM 565 NH1 ARG A 39 1.895 -19.758 2.142 1.00 0.00 N ATOM 566 NH2 ARG A 39 3.949 -19.671 3.159 1.00 0.00 N ATOM 0 H ARG A 39 1.491 -15.206 -3.083 1.00 0.00 H new ATOM 0 HA ARG A 39 3.673 -15.510 -2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.635 -18.316 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.368 -18.113 -2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.618 -17.261 -0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.111 -16.369 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.902 -18.080 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.755 -19.308 -0.736 1.00 0.00 H new ATOM 0 HE ARG A 39 4.657 -18.496 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.292 -19.549 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.517 -20.245 2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.931 -19.395 3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.565 -20.159 3.968 1.00 0.00 H new ATOM 580 N THR A 40 3.544 -15.641 -5.581 1.00 0.00 N ATOM 581 CA THR A 40 4.110 -15.679 -6.925 1.00 0.00 C ATOM 582 C THR A 40 4.073 -14.296 -7.568 1.00 0.00 C ATOM 583 O THR A 40 5.067 -13.833 -8.127 1.00 0.00 O ATOM 584 CB THR A 40 3.347 -16.679 -7.795 1.00 0.00 C ATOM 585 OG1 THR A 40 3.766 -16.590 -9.145 1.00 0.00 O ATOM 586 CG2 THR A 40 1.848 -16.478 -7.763 1.00 0.00 C ATOM 0 H THR A 40 2.869 -14.892 -5.429 1.00 0.00 H new ATOM 0 HA THR A 40 5.150 -15.997 -6.846 1.00 0.00 H new ATOM 0 HB THR A 40 3.573 -17.659 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.268 -17.238 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.368 -17.220 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.488 -16.591 -6.741 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.607 -15.478 -8.124 1.00 0.00 H new ATOM 594 N VAL A 41 2.918 -13.643 -7.485 1.00 0.00 N ATOM 595 CA VAL A 41 2.749 -12.314 -8.058 1.00 0.00 C ATOM 596 C VAL A 41 3.503 -11.266 -7.246 1.00 0.00 C ATOM 597 O VAL A 41 4.116 -11.578 -6.226 1.00 0.00 O ATOM 598 CB VAL A 41 1.263 -11.919 -8.130 1.00 0.00 C ATOM 599 CG1 VAL A 41 0.514 -12.830 -9.091 1.00 0.00 C ATOM 600 CG2 VAL A 41 0.632 -11.957 -6.745 1.00 0.00 C ATOM 0 H VAL A 41 2.086 -14.013 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 41 3.157 -12.350 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 41 1.195 -10.898 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.535 -12.536 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.950 -12.746 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.589 -13.862 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.418 -11.675 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.710 -12.965 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.152 -11.259 -6.089 1.00 0.00 H new ATOM 610 N SER A 42 3.453 -10.020 -7.707 1.00 0.00 N ATOM 611 CA SER A 42 4.131 -8.924 -7.024 1.00 0.00 C ATOM 612 C SER A 42 3.286 -7.654 -7.061 1.00 0.00 C ATOM 613 O SER A 42 3.440 -6.820 -7.953 1.00 0.00 O ATOM 614 CB SER A 42 5.495 -8.662 -7.665 1.00 0.00 C ATOM 615 OG SER A 42 6.283 -7.808 -6.854 1.00 0.00 O ATOM 0 H SER A 42 2.950 -9.744 -8.551 1.00 0.00 H new ATOM 0 HA SER A 42 4.276 -9.212 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.016 -9.607 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.358 -8.211 -8.648 1.00 0.00 H new ATOM 0 HG SER A 42 7.150 -7.657 -7.284 1.00 0.00 H new ATOM 621 N GLY A 43 2.393 -7.515 -6.086 1.00 0.00 N ATOM 622 CA GLY A 43 1.538 -6.344 -6.027 1.00 0.00 C ATOM 623 C GLY A 43 1.188 -5.952 -4.605 1.00 0.00 C ATOM 624 O GLY A 43 0.019 -5.957 -4.222 1.00 0.00 O ATOM 0 H GLY A 43 2.246 -8.192 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.037 -5.509 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.621 -6.539 -6.583 1.00 0.00 H new ATOM 628 N ILE A 44 2.205 -5.610 -3.821 1.00 0.00 N ATOM 629 CA ILE A 44 2.000 -5.213 -2.433 1.00 0.00 C ATOM 630 C ILE A 44 1.525 -3.767 -2.341 1.00 0.00 C ATOM 631 O ILE A 44 2.229 -2.843 -2.751 1.00 0.00 O ATOM 632 CB ILE A 44 3.291 -5.371 -1.606 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.907 -6.750 -1.840 1.00 0.00 C ATOM 634 CG2 ILE A 44 3.000 -5.157 -0.127 1.00 0.00 C ATOM 635 CD1 ILE A 44 4.996 -6.756 -2.890 1.00 0.00 C ATOM 0 H ILE A 44 3.179 -5.600 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 44 1.234 -5.872 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 44 4.008 -4.616 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.318 -7.120 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.121 -7.444 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.921 -5.272 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.601 -4.154 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.269 -5.892 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.387 -7.767 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.586 -6.417 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.801 -6.088 -2.583 1.00 0.00 H new ATOM 647 N PHE A 45 0.325 -3.577 -1.801 1.00 0.00 N ATOM 648 CA PHE A 45 -0.246 -2.243 -1.656 1.00 0.00 C ATOM 649 C PHE A 45 0.033 -1.680 -0.266 1.00 0.00 C ATOM 650 O PHE A 45 -0.088 -2.385 0.736 1.00 0.00 O ATOM 651 CB PHE A 45 -1.754 -2.281 -1.910 1.00 0.00 C ATOM 652 CG PHE A 45 -2.120 -2.744 -3.290 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.989 -4.077 -3.645 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.593 -1.847 -4.234 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.326 -4.507 -4.915 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.932 -2.270 -5.505 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.797 -3.602 -5.846 1.00 0.00 C ATOM 0 H PHE A 45 -0.270 -4.330 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 45 0.224 -1.592 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.221 -2.941 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.166 -1.285 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.619 -4.788 -2.921 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.698 -0.804 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.221 -5.549 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.302 -1.561 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.059 -3.935 -6.839 1.00 0.00 H new ATOM 667 N PHE A 46 0.405 -0.405 -0.214 1.00 0.00 N ATOM 668 CA PHE A 46 0.700 0.254 1.054 1.00 0.00 C ATOM 669 C PHE A 46 -0.309 1.360 1.340 1.00 0.00 C ATOM 670 O PHE A 46 -0.312 2.397 0.676 1.00 0.00 O ATOM 671 CB PHE A 46 2.116 0.833 1.035 1.00 0.00 C ATOM 672 CG PHE A 46 3.194 -0.209 1.143 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.259 -1.256 0.237 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.143 -0.140 2.151 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.249 -2.215 0.335 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.135 -1.097 2.253 1.00 0.00 C ATOM 677 CZ PHE A 46 5.189 -2.135 1.344 1.00 0.00 C ATOM 0 H PHE A 46 0.509 0.192 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 46 0.630 -0.491 1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.257 1.395 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.222 1.540 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.527 -1.323 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.107 0.670 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.288 -3.026 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.868 -1.033 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.964 -2.883 1.422 1.00 0.00 H new ATOM 687 N GLY A 47 -1.162 1.135 2.333 1.00 0.00 N ATOM 688 CA GLY A 47 -2.162 2.124 2.691 1.00 0.00 C ATOM 689 C GLY A 47 -1.554 3.341 3.357 1.00 0.00 C ATOM 690 O GLY A 47 -0.936 3.234 4.417 1.00 0.00 O ATOM 0 H GLY A 47 -1.179 0.285 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.700 2.434 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.893 1.672 3.362 1.00 0.00 H new ATOM 694 N VAL A 48 -1.725 4.502 2.734 1.00 0.00 N ATOM 695 CA VAL A 48 -1.183 5.745 3.271 1.00 0.00 C ATOM 696 C VAL A 48 -2.243 6.842 3.296 1.00 0.00 C ATOM 697 O VAL A 48 -2.935 7.074 2.305 1.00 0.00 O ATOM 698 CB VAL A 48 0.025 6.230 2.448 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.683 7.427 3.118 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.026 5.101 2.249 1.00 0.00 C ATOM 0 H VAL A 48 -2.235 4.608 1.857 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.859 5.536 4.290 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.331 6.544 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.534 7.755 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.038 8.240 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.025 7.144 4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.872 5.464 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.378 4.751 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.546 4.278 1.719 1.00 0.00 H new ATOM 710 N GLU A 49 -2.361 7.516 4.435 1.00 0.00 N ATOM 711 CA GLU A 49 -3.334 8.592 4.590 1.00 0.00 C ATOM 712 C GLU A 49 -2.729 9.932 4.184 1.00 0.00 C ATOM 713 O GLU A 49 -1.773 10.404 4.799 1.00 0.00 O ATOM 714 CB GLU A 49 -3.828 8.659 6.037 1.00 0.00 C ATOM 715 CG GLU A 49 -4.941 9.671 6.252 1.00 0.00 C ATOM 716 CD GLU A 49 -4.792 10.431 7.556 1.00 0.00 C ATOM 717 OE1 GLU A 49 -3.641 10.640 7.994 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.826 10.817 8.140 1.00 0.00 O ATOM 0 H GLU A 49 -1.795 7.336 5.264 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.180 8.381 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.182 7.673 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.990 8.909 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.950 10.378 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.902 9.157 6.243 1.00 0.00 H new ATOM 725 N LEU A 50 -3.291 10.536 3.143 1.00 0.00 N ATOM 726 CA LEU A 50 -2.806 11.822 2.650 1.00 0.00 C ATOM 727 C LEU A 50 -2.835 12.879 3.749 1.00 0.00 C ATOM 728 O LEU A 50 -3.721 12.878 4.604 1.00 0.00 O ATOM 729 CB LEU A 50 -3.651 12.284 1.461 1.00 0.00 C ATOM 730 CG LEU A 50 -3.515 11.428 0.201 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.565 11.820 -0.827 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.117 11.561 -0.385 1.00 0.00 C ATOM 0 H LEU A 50 -4.083 10.157 2.624 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.773 11.691 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.699 12.297 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.377 13.310 1.216 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.676 10.385 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.452 11.200 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.559 11.673 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.437 12.868 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.038 10.945 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.928 12.603 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.382 11.230 0.349 1.00 0.00 H new ATOM 744 N LEU A 51 -1.860 13.782 3.719 1.00 0.00 N ATOM 745 CA LEU A 51 -1.772 14.848 4.710 1.00 0.00 C ATOM 746 C LEU A 51 -2.539 16.083 4.248 1.00 0.00 C ATOM 747 O LEU A 51 -3.129 16.091 3.167 1.00 0.00 O ATOM 748 CB LEU A 51 -0.308 15.208 4.973 1.00 0.00 C ATOM 749 CG LEU A 51 0.368 14.398 6.080 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.857 14.702 6.132 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.285 14.685 7.425 1.00 0.00 C ATOM 0 H LEU A 51 -1.119 13.796 3.018 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.221 14.490 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.255 15.073 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.250 16.266 5.230 1.00 0.00 H new ATOM 0 HG LEU A 51 0.243 13.339 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.320 14.116 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.314 14.445 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.005 15.763 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.209 14.100 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.192 15.746 7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.340 14.414 7.382 1.00 0.00 H new ATOM 763 N GLU A 52 -2.527 17.125 5.074 1.00 0.00 N ATOM 764 CA GLU A 52 -3.223 18.368 4.751 1.00 0.00 C ATOM 765 C GLU A 52 -2.805 18.893 3.379 1.00 0.00 C ATOM 766 O GLU A 52 -3.574 19.581 2.707 1.00 0.00 O ATOM 767 CB GLU A 52 -2.944 19.426 5.820 1.00 0.00 C ATOM 768 CG GLU A 52 -1.465 19.643 6.091 1.00 0.00 C ATOM 769 CD GLU A 52 -1.216 20.691 7.158 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.739 21.816 7.017 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.497 20.386 8.132 1.00 0.00 O ATOM 0 H GLU A 52 -2.043 17.134 5.972 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.292 18.157 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.390 20.371 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.435 19.131 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.014 18.700 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.971 19.945 5.168 1.00 0.00 H new ATOM 778 N GLU A 53 -1.584 18.566 2.970 1.00 0.00 N ATOM 779 CA GLU A 53 -1.068 19.006 1.678 1.00 0.00 C ATOM 780 C GLU A 53 -1.895 18.424 0.536 1.00 0.00 C ATOM 781 O GLU A 53 -2.404 19.158 -0.312 1.00 0.00 O ATOM 782 CB GLU A 53 0.399 18.597 1.525 1.00 0.00 C ATOM 783 CG GLU A 53 1.377 19.721 1.823 1.00 0.00 C ATOM 784 CD GLU A 53 1.886 19.689 3.251 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.127 20.083 4.162 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.043 19.267 3.459 1.00 0.00 O ATOM 0 H GLU A 53 -0.933 17.999 3.513 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.140 20.093 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.606 17.760 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.565 18.242 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.222 19.653 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.892 20.679 1.636 1.00 0.00 H new ATOM 793 N GLY A 54 -2.026 17.101 0.520 1.00 0.00 N ATOM 794 CA GLY A 54 -2.793 16.444 -0.522 1.00 0.00 C ATOM 795 C GLY A 54 -4.008 15.718 0.022 1.00 0.00 C ATOM 796 O GLY A 54 -4.380 14.656 -0.478 1.00 0.00 O ATOM 0 H GLY A 54 -1.615 16.473 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.114 17.185 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.154 15.734 -1.046 1.00 0.00 H new ATOM 800 N ARG A 55 -4.629 16.292 1.047 1.00 0.00 N ATOM 801 CA ARG A 55 -5.810 15.693 1.659 1.00 0.00 C ATOM 802 C ARG A 55 -7.034 15.876 0.768 1.00 0.00 C ATOM 803 O ARG A 55 -7.390 16.998 0.408 1.00 0.00 O ATOM 804 CB ARG A 55 -6.064 16.312 3.037 1.00 0.00 C ATOM 805 CG ARG A 55 -5.848 15.344 4.188 1.00 0.00 C ATOM 806 CD ARG A 55 -6.152 15.996 5.527 1.00 0.00 C ATOM 807 NE ARG A 55 -6.317 15.011 6.594 1.00 0.00 N ATOM 808 CZ ARG A 55 -5.307 14.486 7.285 1.00 0.00 C ATOM 809 NH1 ARG A 55 -4.055 14.842 7.022 1.00 0.00 N ATOM 810 NH2 ARG A 55 -5.550 13.601 8.242 1.00 0.00 N ATOM 0 H ARG A 55 -4.334 17.171 1.472 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.628 14.625 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.406 17.171 3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.087 16.686 3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.485 14.470 4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.817 14.991 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.345 16.680 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.060 16.592 5.441 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.263 14.707 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.862 15.522 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.286 14.436 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.510 13.323 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.777 13.198 8.772 1.00 0.00 H new ATOM 824 N GLY A 56 -7.677 14.767 0.419 1.00 0.00 N ATOM 825 CA GLY A 56 -8.855 14.825 -0.425 1.00 0.00 C ATOM 826 C GLY A 56 -8.634 14.189 -1.784 1.00 0.00 C ATOM 827 O GLY A 56 -9.305 14.536 -2.756 1.00 0.00 O ATOM 0 H GLY A 56 -7.402 13.828 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.681 14.322 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.150 15.866 -0.559 1.00 0.00 H new ATOM 831 N GLN A 57 -7.691 13.254 -1.853 1.00 0.00 N ATOM 832 CA GLN A 57 -7.385 12.568 -3.103 1.00 0.00 C ATOM 833 C GLN A 57 -7.235 11.066 -2.878 1.00 0.00 C ATOM 834 O GLN A 57 -6.295 10.444 -3.374 1.00 0.00 O ATOM 835 CB GLN A 57 -6.106 13.136 -3.721 1.00 0.00 C ATOM 836 CG GLN A 57 -6.269 14.546 -4.264 1.00 0.00 C ATOM 837 CD GLN A 57 -6.756 14.563 -5.700 1.00 0.00 C ATOM 838 OE1 GLN A 57 -6.457 13.658 -6.480 1.00 0.00 O ATOM 839 NE2 GLN A 57 -7.511 15.595 -6.057 1.00 0.00 N ATOM 0 H GLN A 57 -7.126 12.955 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.215 12.731 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.317 13.134 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.779 12.480 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.974 15.094 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.314 15.069 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.734 16.323 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.868 15.660 -7.010 1.00 0.00 H new ATOM 848 N GLY A 58 -8.168 10.490 -2.127 1.00 0.00 N ATOM 849 CA GLY A 58 -8.122 9.066 -1.849 1.00 0.00 C ATOM 850 C GLY A 58 -9.263 8.311 -2.502 1.00 0.00 C ATOM 851 O GLY A 58 -10.358 8.849 -2.666 1.00 0.00 O ATOM 0 H GLY A 58 -8.955 10.984 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.173 8.661 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.156 8.908 -0.771 1.00 0.00 H new ATOM 855 N PHE A 59 -9.007 7.061 -2.876 1.00 0.00 N ATOM 856 CA PHE A 59 -10.022 6.233 -3.515 1.00 0.00 C ATOM 857 C PHE A 59 -10.482 5.116 -2.583 1.00 0.00 C ATOM 858 O PHE A 59 -11.680 4.917 -2.381 1.00 0.00 O ATOM 859 CB PHE A 59 -9.479 5.636 -4.816 1.00 0.00 C ATOM 860 CG PHE A 59 -8.119 5.016 -4.669 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.976 5.793 -4.755 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.984 3.654 -4.448 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.722 5.226 -4.621 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.733 3.080 -4.314 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.601 3.868 -4.401 1.00 0.00 C ATOM 0 H PHE A 59 -8.106 6.600 -2.747 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.879 6.866 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.176 4.881 -5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.433 6.418 -5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.065 6.855 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.866 3.034 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.839 5.844 -4.688 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.641 2.018 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.623 3.422 -4.297 1.00 0.00 H new ATOM 875 N THR A 60 -9.522 4.392 -2.015 1.00 0.00 N ATOM 876 CA THR A 60 -9.830 3.296 -1.102 1.00 0.00 C ATOM 877 C THR A 60 -10.628 3.795 0.098 1.00 0.00 C ATOM 878 O THR A 60 -11.627 3.190 0.486 1.00 0.00 O ATOM 879 CB THR A 60 -8.541 2.621 -0.630 1.00 0.00 C ATOM 880 OG1 THR A 60 -8.824 1.613 0.325 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.553 3.582 -0.004 1.00 0.00 C ATOM 0 H THR A 60 -8.525 4.544 -2.171 1.00 0.00 H new ATOM 0 HA THR A 60 -10.437 2.567 -1.639 1.00 0.00 H new ATOM 0 HB THR A 60 -8.091 2.200 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.738 1.285 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.662 3.036 0.308 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.275 4.344 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.009 4.059 0.864 1.00 0.00 H new ATOM 889 N ASP A 61 -10.181 4.902 0.681 1.00 0.00 N ATOM 890 CA ASP A 61 -10.855 5.484 1.836 1.00 0.00 C ATOM 891 C ASP A 61 -10.903 4.497 3.000 1.00 0.00 C ATOM 892 O ASP A 61 -11.798 4.561 3.842 1.00 0.00 O ATOM 893 CB ASP A 61 -12.274 5.915 1.460 1.00 0.00 C ATOM 894 CG ASP A 61 -12.694 7.194 2.159 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.450 7.311 3.377 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.268 8.076 1.486 1.00 0.00 O ATOM 0 H ASP A 61 -9.355 5.414 0.373 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.286 6.359 2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.334 6.057 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.973 5.118 1.715 1.00 0.00 H new ATOM 901 N GLY A 62 -9.935 3.586 3.041 1.00 0.00 N ATOM 902 CA GLY A 62 -9.890 2.603 4.109 1.00 0.00 C ATOM 903 C GLY A 62 -10.548 1.292 3.726 1.00 0.00 C ATOM 904 O GLY A 62 -10.217 0.241 4.274 1.00 0.00 O ATOM 0 H GLY A 62 -9.183 3.511 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.851 2.417 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.384 3.009 4.992 1.00 0.00 H new ATOM 908 N VAL A 63 -11.485 1.351 2.784 1.00 0.00 N ATOM 909 CA VAL A 63 -12.192 0.158 2.333 1.00 0.00 C ATOM 910 C VAL A 63 -11.863 -0.160 0.877 1.00 0.00 C ATOM 911 O VAL A 63 -11.616 0.741 0.075 1.00 0.00 O ATOM 912 CB VAL A 63 -13.719 0.320 2.484 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.226 1.471 1.627 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.433 -0.975 2.129 1.00 0.00 C ATOM 0 H VAL A 63 -11.772 2.212 2.319 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.858 -0.666 2.964 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.937 0.553 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.305 1.567 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.742 2.397 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.995 1.274 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.509 -0.840 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.207 -1.244 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.095 -1.771 2.793 1.00 0.00 H new ATOM 924 N TYR A 64 -11.860 -1.447 0.544 1.00 0.00 N ATOM 925 CA TYR A 64 -11.562 -1.884 -0.815 1.00 0.00 C ATOM 926 C TYR A 64 -12.596 -2.896 -1.300 1.00 0.00 C ATOM 927 O TYR A 64 -12.642 -4.029 -0.824 1.00 0.00 O ATOM 928 CB TYR A 64 -10.162 -2.497 -0.880 1.00 0.00 C ATOM 929 CG TYR A 64 -9.621 -2.623 -2.286 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.180 -1.506 -2.984 1.00 0.00 C ATOM 931 CD2 TYR A 64 -9.553 -3.859 -2.917 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.686 -1.617 -4.270 1.00 0.00 C ATOM 933 CE2 TYR A 64 -9.059 -3.979 -4.202 1.00 0.00 C ATOM 934 CZ TYR A 64 -8.628 -2.855 -4.874 1.00 0.00 C ATOM 935 OH TYR A 64 -8.137 -2.969 -6.154 1.00 0.00 O ATOM 0 H TYR A 64 -12.060 -2.205 1.196 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.600 -1.012 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.479 -1.885 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.185 -3.484 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.224 -0.535 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.892 -4.741 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.347 -0.739 -4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.011 -4.948 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.163 -3.908 -6.432 1.00 0.00 H new ATOM 945 N GLN A 65 -13.425 -2.476 -2.250 1.00 0.00 N ATOM 946 CA GLN A 65 -14.459 -3.345 -2.801 1.00 0.00 C ATOM 947 C GLN A 65 -15.427 -3.798 -1.712 1.00 0.00 C ATOM 948 O GLN A 65 -16.001 -4.884 -1.792 1.00 0.00 O ATOM 949 CB GLN A 65 -13.825 -4.563 -3.475 1.00 0.00 C ATOM 950 CG GLN A 65 -13.239 -4.264 -4.845 1.00 0.00 C ATOM 951 CD GLN A 65 -12.847 -5.520 -5.599 1.00 0.00 C ATOM 952 OE1 GLN A 65 -11.806 -6.119 -5.332 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.684 -5.925 -6.548 1.00 0.00 N ATOM 0 H GLN A 65 -13.401 -1.540 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.018 -2.777 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.039 -4.956 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.577 -5.346 -3.574 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.966 -3.704 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.363 -3.626 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.536 -5.397 -6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.474 -6.764 -7.089 1.00 0.00 H new ATOM 962 N GLY A 66 -15.604 -2.959 -0.696 1.00 0.00 N ATOM 963 CA GLY A 66 -16.504 -3.293 0.392 1.00 0.00 C ATOM 964 C GLY A 66 -15.772 -3.826 1.606 1.00 0.00 C ATOM 965 O GLY A 66 -16.238 -3.677 2.736 1.00 0.00 O ATOM 0 H GLY A 66 -15.141 -2.055 -0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.072 -2.407 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.223 -4.037 0.049 1.00 0.00 H new ATOM 969 N LYS A 67 -14.622 -4.451 1.376 1.00 0.00 N ATOM 970 CA LYS A 67 -13.825 -5.010 2.460 1.00 0.00 C ATOM 971 C LYS A 67 -13.015 -3.922 3.158 1.00 0.00 C ATOM 972 O LYS A 67 -12.122 -3.320 2.561 1.00 0.00 O ATOM 973 CB LYS A 67 -12.889 -6.096 1.928 1.00 0.00 C ATOM 974 CG LYS A 67 -12.543 -7.159 2.956 1.00 0.00 C ATOM 975 CD LYS A 67 -11.674 -6.597 4.069 1.00 0.00 C ATOM 976 CE LYS A 67 -11.292 -7.671 5.075 1.00 0.00 C ATOM 977 NZ LYS A 67 -10.338 -7.160 6.098 1.00 0.00 N ATOM 0 H LYS A 67 -14.221 -4.583 0.447 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.507 -5.453 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.354 -6.574 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.969 -5.630 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.460 -7.568 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.023 -7.983 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.771 -6.160 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.207 -5.794 4.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.190 -8.041 5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.845 -8.516 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.481 -7.672 6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.363 -7.306 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.503 -6.145 6.250 1.00 0.00 H new ATOM 991 N GLN A 68 -13.335 -3.676 4.424 1.00 0.00 N ATOM 992 CA GLN A 68 -12.637 -2.660 5.204 1.00 0.00 C ATOM 993 C GLN A 68 -11.221 -3.112 5.545 1.00 0.00 C ATOM 994 O GLN A 68 -11.014 -3.886 6.480 1.00 0.00 O ATOM 995 CB GLN A 68 -13.411 -2.354 6.488 1.00 0.00 C ATOM 996 CG GLN A 68 -13.140 -0.966 7.044 1.00 0.00 C ATOM 997 CD GLN A 68 -13.921 0.114 6.322 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.039 -0.115 5.861 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.334 1.301 6.219 1.00 0.00 N ATOM 0 H GLN A 68 -14.072 -4.165 4.931 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.573 -1.754 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.478 -2.456 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.153 -3.096 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.395 -0.947 8.104 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.074 -0.750 6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.406 1.447 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.811 2.066 5.743 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.250 -2.624 4.781 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.852 -2.978 5.001 1.00 0.00 C ATOM 1010 C LEU A 69 -8.272 -2.198 6.176 1.00 0.00 C ATOM 1011 O LEU A 69 -7.497 -2.734 6.968 1.00 0.00 O ATOM 1012 CB LEU A 69 -8.031 -2.708 3.740 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.316 -3.647 2.567 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.471 -3.268 1.361 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -8.057 -5.092 2.968 1.00 0.00 C ATOM 0 H LEU A 69 -10.405 -1.982 4.004 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.805 -4.041 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.215 -1.683 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.973 -2.778 3.992 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.366 -3.548 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.688 -3.947 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.704 -2.247 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.415 -3.338 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.265 -5.747 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.015 -5.205 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.706 -5.360 3.802 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.652 -0.928 6.283 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.168 -0.074 7.362 1.00 0.00 C ATOM 1029 C PHE A 70 -9.035 1.173 7.498 1.00 0.00 C ATOM 1030 O PHE A 70 -9.854 1.471 6.629 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.711 0.325 7.110 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.524 1.193 5.899 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.855 0.726 4.636 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.016 2.476 6.023 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.684 1.523 3.521 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -5.842 3.277 4.910 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.175 2.800 3.658 1.00 0.00 C ATOM 0 H PHE A 70 -9.293 -0.468 5.636 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.226 -0.637 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.331 0.851 7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.111 -0.578 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.251 -0.272 4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.753 2.854 7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.948 1.148 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.446 4.276 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.038 3.424 2.787 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.849 1.900 8.597 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.613 3.115 8.848 1.00 0.00 C ATOM 1049 C GLN A 71 -8.860 4.345 8.351 1.00 0.00 C ATOM 1050 O GLN A 71 -7.686 4.536 8.668 1.00 0.00 O ATOM 1051 CB GLN A 71 -9.911 3.255 10.341 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.155 2.505 10.788 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.416 3.336 10.655 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.375 4.564 10.732 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.547 2.669 10.454 1.00 0.00 N ATOM 0 H GLN A 71 -8.175 1.667 9.327 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.553 3.042 8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.055 2.892 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.028 4.312 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.259 1.596 10.196 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.035 2.197 11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.535 1.651 10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.427 3.175 10.357 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.543 5.175 7.570 1.00 0.00 N ATOM 1065 CA CYS A 72 -8.937 6.387 7.030 1.00 0.00 C ATOM 1066 C CYS A 72 -9.979 7.489 6.863 1.00 0.00 C ATOM 1067 O CYS A 72 -11.173 7.265 7.063 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.267 6.091 5.686 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.549 6.646 5.582 1.00 0.00 S ATOM 0 H CYS A 72 -10.515 5.031 7.297 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.182 6.732 7.736 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.303 5.017 5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.841 6.569 4.892 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.106 6.913 6.775 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.518 8.680 6.495 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.409 9.818 6.301 1.00 0.00 C ATOM 1077 C ASP A 73 -11.032 9.787 4.909 1.00 0.00 C ATOM 1078 O ASP A 73 -10.602 9.028 4.041 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.647 11.129 6.503 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.625 11.566 7.955 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -9.448 10.696 8.833 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -9.784 12.777 8.212 1.00 0.00 O ATOM 0 H ASP A 73 -8.533 8.882 6.325 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.208 9.754 7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.624 11.010 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.107 11.910 5.898 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.048 10.619 4.702 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.731 10.686 3.416 1.00 0.00 C ATOM 1089 C GLU A 74 -11.799 11.222 2.333 1.00 0.00 C ATOM 1090 O GLU A 74 -11.321 12.353 2.414 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.973 11.574 3.520 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.855 11.532 2.282 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.281 11.122 2.594 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.754 11.422 3.709 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.925 10.503 1.721 1.00 0.00 O ATOM 0 H GLU A 74 -12.416 11.256 5.409 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.036 9.676 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.560 11.264 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.660 12.603 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.859 12.514 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.430 10.834 1.561 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.546 10.400 1.319 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.671 10.791 0.220 1.00 0.00 C ATOM 1104 C ASP A 75 -9.266 11.103 0.726 1.00 0.00 C ATOM 1105 O ASP A 75 -8.657 12.097 0.327 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.247 12.006 -0.510 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.221 11.616 -1.604 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.970 10.634 -1.409 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.237 12.292 -2.654 1.00 0.00 O ATOM 0 H ASP A 75 -11.934 9.460 1.236 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.607 9.955 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.752 12.652 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.432 12.586 -0.943 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.755 10.249 1.606 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.422 10.432 2.166 1.00 0.00 C ATOM 1116 C CYS A 76 -6.584 9.169 2.002 1.00 0.00 C ATOM 1117 O CYS A 76 -5.495 9.205 1.429 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.515 10.808 3.646 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.225 12.443 3.949 1.00 0.00 S ATOM 0 H CYS A 76 -9.245 9.422 1.947 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.935 11.242 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.117 10.061 4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.517 10.770 4.083 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.394 12.520 3.385 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.098 8.054 2.509 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.384 6.795 2.408 1.00 0.00 C ATOM 1127 C GLY A 77 -6.110 6.396 0.972 1.00 0.00 C ATOM 1128 O GLY A 77 -6.988 6.494 0.115 1.00 0.00 O ATOM 0 H GLY A 77 -7.997 8.000 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.439 6.873 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.965 6.012 2.895 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.887 5.947 0.708 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.499 5.533 -0.634 1.00 0.00 C ATOM 1134 C VAL A 78 -3.553 4.337 -0.588 1.00 0.00 C ATOM 1135 O VAL A 78 -2.713 4.232 0.305 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.819 6.681 -1.402 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -4.846 7.714 -1.839 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.734 7.322 -0.551 1.00 0.00 C ATOM 0 H VAL A 78 -4.148 5.861 1.406 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.414 5.250 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.351 6.269 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.346 8.517 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.583 7.242 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.346 8.124 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.264 8.131 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.176 7.720 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.983 6.574 -0.295 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.696 3.438 -1.557 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.854 2.250 -1.627 1.00 0.00 C ATOM 1150 C PHE A 79 -1.886 2.337 -2.803 1.00 0.00 C ATOM 1151 O PHE A 79 -2.284 2.648 -3.926 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.718 0.993 -1.752 1.00 0.00 C ATOM 1153 CG PHE A 79 -4.001 0.326 -0.437 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.963 -0.132 0.361 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.304 0.155 0.002 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.221 -0.747 1.572 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.568 -0.459 1.212 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.525 -0.910 1.998 1.00 0.00 C ATOM 0 H PHE A 79 -4.387 3.510 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.273 2.192 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.663 1.257 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.218 0.282 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.942 -0.007 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.123 0.506 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.404 -1.100 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.588 -0.586 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.729 -1.389 2.944 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.614 2.061 -2.537 1.00 0.00 N ATOM 1169 CA VAL A 80 0.411 2.108 -3.572 1.00 0.00 C ATOM 1170 C VAL A 80 1.599 1.224 -3.208 1.00 0.00 C ATOM 1171 O VAL A 80 1.820 0.916 -2.038 1.00 0.00 O ATOM 1172 CB VAL A 80 0.909 3.547 -3.805 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.191 4.403 -4.413 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.411 4.155 -2.504 1.00 0.00 C ATOM 0 H VAL A 80 -0.268 1.802 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.048 1.738 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 80 1.741 3.514 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.181 5.416 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.497 3.977 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.046 4.431 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.759 5.172 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.601 4.175 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.234 3.555 -2.115 1.00 0.00 H new ATOM 1184 N ALA A 81 2.361 0.819 -4.219 1.00 0.00 N ATOM 1185 CA ALA A 81 3.526 -0.031 -4.004 1.00 0.00 C ATOM 1186 C ALA A 81 4.646 0.741 -3.314 1.00 0.00 C ATOM 1187 O ALA A 81 4.720 1.966 -3.410 1.00 0.00 O ATOM 1188 CB ALA A 81 4.012 -0.603 -5.326 1.00 0.00 C ATOM 0 H ALA A 81 2.193 1.066 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 81 3.232 -0.854 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.882 -1.236 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.218 -1.196 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.285 0.212 -5.997 1.00 0.00 H new ATOM 1194 N LEU A 82 5.516 0.014 -2.618 1.00 0.00 N ATOM 1195 CA LEU A 82 6.636 0.629 -1.909 1.00 0.00 C ATOM 1196 C LEU A 82 7.410 1.569 -2.828 1.00 0.00 C ATOM 1197 O LEU A 82 7.742 2.693 -2.449 1.00 0.00 O ATOM 1198 CB LEU A 82 7.571 -0.448 -1.355 1.00 0.00 C ATOM 1199 CG LEU A 82 8.817 0.081 -0.645 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.503 0.417 0.805 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.947 -0.936 -0.725 1.00 0.00 C ATOM 0 H LEU A 82 5.468 -1.001 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 82 6.234 1.210 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.011 -1.071 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.885 -1.092 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 82 9.138 0.994 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.402 0.792 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.725 1.179 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.157 -0.479 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.827 -0.544 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.635 -1.865 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.190 -1.129 -1.770 1.00 0.00 H new ATOM 1213 N ASP A 83 7.691 1.102 -4.040 1.00 0.00 N ATOM 1214 CA ASP A 83 8.421 1.902 -5.016 1.00 0.00 C ATOM 1215 C ASP A 83 7.699 3.219 -5.278 1.00 0.00 C ATOM 1216 O ASP A 83 8.325 4.230 -5.594 1.00 0.00 O ATOM 1217 CB ASP A 83 8.582 1.125 -6.325 1.00 0.00 C ATOM 1218 CG ASP A 83 9.837 1.518 -7.079 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.932 2.688 -7.506 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.726 0.655 -7.242 1.00 0.00 O ATOM 0 H ASP A 83 7.424 0.174 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 83 9.409 2.121 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.610 0.057 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.712 1.300 -6.957 1.00 0.00 H new ATOM 1225 N LYS A 84 6.376 3.199 -5.138 1.00 0.00 N ATOM 1226 CA LYS A 84 5.568 4.391 -5.353 1.00 0.00 C ATOM 1227 C LYS A 84 5.650 5.328 -4.152 1.00 0.00 C ATOM 1228 O LYS A 84 5.441 6.535 -4.277 1.00 0.00 O ATOM 1229 CB LYS A 84 4.111 4.006 -5.616 1.00 0.00 C ATOM 1230 CG LYS A 84 3.936 3.061 -6.794 1.00 0.00 C ATOM 1231 CD LYS A 84 2.706 3.416 -7.616 1.00 0.00 C ATOM 1232 CE LYS A 84 2.067 2.177 -8.223 1.00 0.00 C ATOM 1233 NZ LYS A 84 2.918 1.577 -9.287 1.00 0.00 N ATOM 0 H LYS A 84 5.843 2.370 -4.877 1.00 0.00 H new ATOM 0 HA LYS A 84 5.961 4.913 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.700 3.538 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.531 4.911 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.822 3.100 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.849 2.037 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.980 3.929 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.985 4.109 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.891 1.439 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.094 2.438 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.447 0.735 -9.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.066 2.272 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.837 1.304 -8.884 1.00 0.00 H new ATOM 1247 N LEU A 85 5.956 4.765 -2.985 1.00 0.00 N ATOM 1248 CA LEU A 85 6.065 5.554 -1.762 1.00 0.00 C ATOM 1249 C LEU A 85 7.430 6.226 -1.668 1.00 0.00 C ATOM 1250 O LEU A 85 8.394 5.786 -2.294 1.00 0.00 O ATOM 1251 CB LEU A 85 5.833 4.668 -0.536 1.00 0.00 C ATOM 1252 CG LEU A 85 4.408 4.131 -0.388 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.370 2.992 0.620 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.461 5.245 0.028 1.00 0.00 C ATOM 0 H LEU A 85 6.132 3.768 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 85 5.300 6.330 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.521 3.824 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.086 5.237 0.358 1.00 0.00 H new ATOM 0 HG LEU A 85 4.082 3.745 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.349 2.622 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.019 2.185 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.715 3.352 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.452 4.846 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.784 5.660 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.467 6.029 -0.729 1.00 0.00 H new ATOM 1266 N GLU A 86 7.505 7.294 -0.880 1.00 0.00 N ATOM 1267 CA GLU A 86 8.753 8.028 -0.703 1.00 0.00 C ATOM 1268 C GLU A 86 8.897 8.519 0.734 1.00 0.00 C ATOM 1269 O GLU A 86 8.182 9.425 1.164 1.00 0.00 O ATOM 1270 CB GLU A 86 8.812 9.213 -1.669 1.00 0.00 C ATOM 1271 CG GLU A 86 10.194 9.836 -1.783 1.00 0.00 C ATOM 1272 CD GLU A 86 10.244 10.960 -2.800 1.00 0.00 C ATOM 1273 OE1 GLU A 86 10.266 10.662 -4.013 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.261 12.137 -2.383 1.00 0.00 O ATOM 0 H GLU A 86 6.716 7.670 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 86 9.579 7.350 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.489 8.883 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.105 9.975 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.498 10.219 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.914 9.066 -2.062 1.00 0.00 H new ATOM 1281 N LEU A 87 9.823 7.915 1.471 1.00 0.00 N ATOM 1282 CA LEU A 87 10.058 8.292 2.860 1.00 0.00 C ATOM 1283 C LEU A 87 10.511 9.745 2.962 1.00 0.00 C ATOM 1284 O LEU A 87 11.357 10.197 2.190 1.00 0.00 O ATOM 1285 CB LEU A 87 11.107 7.373 3.491 1.00 0.00 C ATOM 1286 CG LEU A 87 11.301 7.551 4.997 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.006 7.262 5.740 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.418 6.648 5.500 1.00 0.00 C ATOM 0 H LEU A 87 10.422 7.163 1.130 1.00 0.00 H new ATOM 0 HA LEU A 87 9.118 8.185 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.826 6.338 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.062 7.543 2.994 1.00 0.00 H new ATOM 0 HG LEU A 87 11.582 8.587 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.164 7.394 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.231 7.948 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.694 6.236 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.543 6.787 6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.165 5.608 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.348 6.901 4.991 1.00 0.00 H new ATOM 1300 N ILE A 88 9.944 10.471 3.919 1.00 0.00 N ATOM 1301 CA ILE A 88 10.289 11.872 4.122 1.00 0.00 C ATOM 1302 C ILE A 88 11.214 12.040 5.323 1.00 0.00 C ATOM 1303 O ILE A 88 11.045 11.377 6.347 1.00 0.00 O ATOM 1304 CB ILE A 88 9.031 12.737 4.333 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.990 12.440 3.250 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.399 14.214 4.334 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.635 12.061 3.804 1.00 0.00 C ATOM 0 H ILE A 88 9.243 10.112 4.567 1.00 0.00 H new ATOM 0 HA ILE A 88 10.802 12.205 3.220 1.00 0.00 H new ATOM 0 HB ILE A 88 8.597 12.490 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.881 13.317 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.355 11.630 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.501 14.813 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.106 14.412 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.854 14.476 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.948 11.864 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.731 11.166 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.249 12.879 4.412 1.00 0.00 H new ATOM 1319 N GLU A 89 12.194 12.928 5.191 1.00 0.00 N ATOM 1320 CA GLU A 89 13.147 13.181 6.265 1.00 0.00 C ATOM 1321 C GLU A 89 13.362 14.678 6.462 1.00 0.00 C ATOM 1322 O GLU A 89 12.862 15.495 5.688 1.00 0.00 O ATOM 1323 CB GLU A 89 14.480 12.493 5.963 1.00 0.00 C ATOM 1324 CG GLU A 89 15.004 11.651 7.114 1.00 0.00 C ATOM 1325 CD GLU A 89 15.852 10.484 6.645 1.00 0.00 C ATOM 1326 OE1 GLU A 89 15.549 9.926 5.570 1.00 0.00 O ATOM 1327 OE2 GLU A 89 16.820 10.131 7.351 1.00 0.00 O ATOM 0 H GLU A 89 12.349 13.485 4.350 1.00 0.00 H new ATOM 0 HA GLU A 89 12.736 12.770 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.361 11.859 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.222 13.251 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.595 12.280 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.163 11.273 7.695 1.00 0.00 H new ATOM 1334 N SER A 90 14.110 15.030 7.503 1.00 0.00 N ATOM 1335 CA SER A 90 14.393 16.429 7.802 1.00 0.00 C ATOM 1336 C SER A 90 15.384 17.011 6.799 1.00 0.00 C ATOM 1337 O SER A 90 16.526 16.560 6.706 1.00 0.00 O ATOM 1338 CB SER A 90 14.948 16.566 9.222 1.00 0.00 C ATOM 1339 OG SER A 90 15.704 15.424 9.586 1.00 0.00 O ATOM 0 H SER A 90 14.531 14.366 8.153 1.00 0.00 H new ATOM 0 HA SER A 90 13.459 16.986 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.574 17.456 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.127 16.702 9.925 1.00 0.00 H new ATOM 0 HG SER A 90 16.049 15.537 10.496 1.00 0.00 H new ATOM 1345 N GLY A 91 14.938 18.014 6.050 1.00 0.00 N ATOM 1346 CA GLY A 91 15.798 18.641 5.063 1.00 0.00 C ATOM 1347 C GLY A 91 15.210 19.926 4.513 1.00 0.00 C ATOM 1348 O GLY A 91 14.694 19.945 3.395 1.00 0.00 O ATOM 0 H GLY A 91 13.997 18.404 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.768 18.853 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.972 17.945 4.243 1.00 0.00 H new ATOM 1352 N PRO A 92 15.272 21.028 5.282 1.00 0.00 N ATOM 1353 CA PRO A 92 14.735 22.322 4.850 1.00 0.00 C ATOM 1354 C PRO A 92 15.259 22.739 3.480 1.00 0.00 C ATOM 1355 O PRO A 92 16.457 22.650 3.208 1.00 0.00 O ATOM 1356 CB PRO A 92 15.229 23.290 5.928 1.00 0.00 C ATOM 1357 CG PRO A 92 15.429 22.442 7.135 1.00 0.00 C ATOM 1358 CD PRO A 92 15.869 21.097 6.628 1.00 0.00 C ATOM 0 HA PRO A 92 13.650 22.298 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.157 23.777 5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 92 14.501 24.079 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 92 16.180 22.875 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.507 22.359 7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 92 16.955 21.017 6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.512 20.290 7.268 1.00 0.00 H new ATOM 1366 N SER A 93 14.354 23.196 2.620 1.00 0.00 N ATOM 1367 CA SER A 93 14.726 23.626 1.277 1.00 0.00 C ATOM 1368 C SER A 93 13.759 24.687 0.759 1.00 0.00 C ATOM 1369 O SER A 93 12.643 24.822 1.261 1.00 0.00 O ATOM 1370 CB SER A 93 14.748 22.431 0.322 1.00 0.00 C ATOM 1371 OG SER A 93 13.731 21.500 0.648 1.00 0.00 O ATOM 0 H SER A 93 13.359 23.278 2.829 1.00 0.00 H new ATOM 0 HA SER A 93 15.724 24.061 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.613 22.778 -0.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 15.721 21.942 0.368 1.00 0.00 H new ATOM 0 HG SER A 93 14.002 20.981 1.434 1.00 0.00 H new ATOM 1377 N SER A 94 14.196 25.436 -0.249 1.00 0.00 N ATOM 1378 CA SER A 94 13.369 26.485 -0.834 1.00 0.00 C ATOM 1379 C SER A 94 12.178 25.888 -1.579 1.00 0.00 C ATOM 1380 O SER A 94 12.349 25.109 -2.517 1.00 0.00 O ATOM 1381 CB SER A 94 14.200 27.346 -1.787 1.00 0.00 C ATOM 1382 OG SER A 94 14.430 26.676 -3.013 1.00 0.00 O ATOM 0 H SER A 94 15.117 25.336 -0.677 1.00 0.00 H new ATOM 0 HA SER A 94 12.992 27.110 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.683 28.287 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.153 27.593 -1.320 1.00 0.00 H new ATOM 0 HG SER A 94 13.968 25.812 -3.005 1.00 0.00 H new ATOM 1388 N GLY A 95 10.975 26.258 -1.153 1.00 0.00 N ATOM 1389 CA GLY A 95 9.775 25.748 -1.790 1.00 0.00 C ATOM 1390 C GLY A 95 9.090 24.676 -0.966 1.00 0.00 C ATOM 1391 O GLY A 95 8.138 24.050 -1.479 1.00 0.00 O ATOM 1392 OXT GLY A 95 9.506 24.462 0.192 1.00 0.00 O ATOM 0 H GLY A 95 10.810 26.901 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.080 26.571 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.032 25.341 -2.768 1.00 0.00 H new TER 1396 GLY A 95