USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 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 31 MET CE :methyl -163:sc= -0.0795 (180deg=-0.479) USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -74:sc= -0.358 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.536 K(o=-0.89,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.424! (180deg=-1.24!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 5 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.026) USER MOD Single : A 8 HIS : no HD1:sc= -0.0884 X(o=-0.088,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.264 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.13 (180deg=-0.563) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.298 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.081 (180deg=-0.491) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.48! K(o=-2.5!,f=-0.11) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0671 (180deg=-0.36) USER MOD Single : A 74 ASN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -2.67! (180deg=-4.85!) USER MOD Single : A 79 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.57) USER MOD Single : A 80 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.75) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc=-0.00637 (180deg=-0.122) USER MOD Single : A 85 LYS NZ :NH3+ 140:sc= -0.192 (180deg=-0.197) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.873 K(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 40.856 -25.090 44.979 1.00 4.51 N ATOM 2 CA MET A 1 40.370 -23.802 44.404 1.00 72.43 C ATOM 3 C MET A 1 39.212 -24.047 43.420 1.00 54.21 C ATOM 4 O MET A 1 39.419 -24.577 42.327 1.00 1.12 O ATOM 5 CB MET A 1 41.521 -23.073 43.688 1.00 30.44 C ATOM 6 CG MET A 1 42.767 -22.892 44.548 1.00 13.42 C ATOM 7 SD MET A 1 43.489 -24.470 45.045 1.00 11.52 S ATOM 8 CE MET A 1 44.897 -23.920 46.009 1.00 11.03 C ATOM 0 H1 MET A 1 40.715 -25.085 46.009 1.00 4.51 H new ATOM 0 H2 MET A 1 40.324 -25.880 44.560 1.00 4.51 H new ATOM 0 H3 MET A 1 41.868 -25.204 44.769 1.00 4.51 H new ATOM 0 HA MET A 1 40.005 -23.179 45.220 1.00 72.43 H new ATOM 0 HB2 MET A 1 41.789 -23.631 42.791 1.00 30.44 H new ATOM 0 HB3 MET A 1 41.171 -22.094 43.362 1.00 30.44 H new ATOM 0 HG2 MET A 1 43.507 -22.314 43.995 1.00 13.42 H new ATOM 0 HG3 MET A 1 42.512 -22.315 45.437 1.00 13.42 H new ATOM 0 HE1 MET A 1 45.442 -24.786 46.384 1.00 11.03 H new ATOM 0 HE2 MET A 1 45.556 -23.320 45.381 1.00 11.03 H new ATOM 0 HE3 MET A 1 44.550 -23.318 46.849 1.00 11.03 H new ATOM 20 N GLY A 2 37.994 -23.660 43.808 1.00 54.13 N ATOM 21 CA GLY A 2 36.819 -23.949 42.987 1.00 3.20 C ATOM 22 C GLY A 2 36.052 -22.706 42.535 1.00 40.31 C ATOM 23 O GLY A 2 34.894 -22.517 42.910 1.00 20.35 O ATOM 0 H GLY A 2 37.798 -23.154 44.672 1.00 54.13 H new ATOM 0 HA2 GLY A 2 37.133 -24.509 42.106 1.00 3.20 H new ATOM 0 HA3 GLY A 2 36.145 -24.594 43.551 1.00 3.20 H new ATOM 27 N HIS A 3 36.692 -21.854 41.735 1.00 15.35 N ATOM 28 CA HIS A 3 36.007 -20.703 41.128 1.00 13.14 C ATOM 29 C HIS A 3 35.148 -21.182 39.940 1.00 74.32 C ATOM 30 O HIS A 3 35.639 -21.316 38.819 1.00 64.41 O ATOM 31 CB HIS A 3 37.045 -19.663 40.674 1.00 34.43 C ATOM 32 CG HIS A 3 36.480 -18.309 40.357 1.00 42.40 C ATOM 33 ND1 HIS A 3 36.406 -17.803 39.078 1.00 34.53 N ATOM 34 CD2 HIS A 3 35.997 -17.334 41.168 1.00 40.53 C ATOM 35 CE1 HIS A 3 35.909 -16.583 39.113 1.00 74.32 C ATOM 36 NE2 HIS A 3 35.651 -16.276 40.364 1.00 43.10 N ATOM 0 H HIS A 3 37.679 -21.934 41.490 1.00 15.35 H new ATOM 0 HA HIS A 3 35.351 -20.234 41.862 1.00 13.14 H new ATOM 0 HB2 HIS A 3 37.796 -19.554 41.456 1.00 34.43 H new ATOM 0 HB3 HIS A 3 37.558 -20.043 39.791 1.00 34.43 H new ATOM 0 HD2 HIS A 3 35.903 -17.381 42.243 1.00 40.53 H new ATOM 0 HE1 HIS A 3 35.742 -15.944 38.258 1.00 74.32 H new ATOM 0 HE2 HIS A 3 35.257 -15.392 40.687 1.00 43.10 H new ATOM 45 N HIS A 4 33.873 -21.467 40.206 1.00 54.22 N ATOM 46 CA HIS A 4 33.003 -22.152 39.236 1.00 10.40 C ATOM 47 C HIS A 4 32.111 -21.182 38.440 1.00 11.32 C ATOM 48 O HIS A 4 31.602 -20.199 38.975 1.00 51.20 O ATOM 49 CB HIS A 4 32.125 -23.179 39.972 1.00 2.21 C ATOM 50 CG HIS A 4 31.301 -24.038 39.061 1.00 5.25 C ATOM 51 ND1 HIS A 4 29.986 -23.768 38.748 1.00 1.25 N ATOM 52 CD2 HIS A 4 31.615 -25.172 38.392 1.00 23.13 C ATOM 53 CE1 HIS A 4 29.530 -24.694 37.928 1.00 43.34 C ATOM 54 NE2 HIS A 4 30.497 -25.556 37.695 1.00 22.24 N ATOM 0 H HIS A 4 33.414 -21.235 41.087 1.00 54.22 H new ATOM 0 HA HIS A 4 33.652 -22.649 38.515 1.00 10.40 H new ATOM 0 HB2 HIS A 4 32.764 -23.820 40.579 1.00 2.21 H new ATOM 0 HB3 HIS A 4 31.461 -22.651 40.656 1.00 2.21 H new ATOM 0 HD2 HIS A 4 32.568 -25.680 38.404 1.00 23.13 H new ATOM 0 HE1 HIS A 4 28.532 -24.738 37.517 1.00 43.34 H new ATOM 0 HE2 HIS A 4 30.427 -26.377 37.094 1.00 22.24 H new ATOM 63 N HIS A 5 31.916 -21.489 37.155 1.00 32.41 N ATOM 64 CA HIS A 5 31.019 -20.714 36.286 1.00 42.25 C ATOM 65 C HIS A 5 30.452 -21.600 35.167 1.00 62.13 C ATOM 66 O HIS A 5 31.036 -22.633 34.836 1.00 64.52 O ATOM 67 CB HIS A 5 31.759 -19.511 35.675 1.00 65.22 C ATOM 68 CG HIS A 5 32.967 -19.883 34.866 1.00 3.42 C ATOM 69 ND1 HIS A 5 34.250 -19.864 35.371 1.00 63.44 N ATOM 70 CD2 HIS A 5 33.085 -20.282 33.576 1.00 33.01 C ATOM 71 CE1 HIS A 5 35.099 -20.233 34.433 1.00 61.24 C ATOM 72 NE2 HIS A 5 34.420 -20.496 33.336 1.00 53.43 N ATOM 0 H HIS A 5 32.370 -22.274 36.688 1.00 32.41 H new ATOM 0 HA HIS A 5 30.194 -20.346 36.896 1.00 42.25 H new ATOM 0 HB2 HIS A 5 31.067 -18.956 35.041 1.00 65.22 H new ATOM 0 HB3 HIS A 5 32.065 -18.840 36.478 1.00 65.22 H new ATOM 0 HD2 HIS A 5 32.279 -20.408 32.868 1.00 33.01 H new ATOM 0 HE1 HIS A 5 36.171 -20.307 34.545 1.00 61.24 H new ATOM 0 HE2 HIS A 5 34.821 -20.808 32.451 1.00 53.43 H new ATOM 81 N HIS A 6 29.322 -21.191 34.591 1.00 41.23 N ATOM 82 CA HIS A 6 28.706 -21.918 33.472 1.00 55.51 C ATOM 83 C HIS A 6 27.528 -21.118 32.885 1.00 2.25 C ATOM 84 O HIS A 6 26.650 -20.661 33.619 1.00 5.55 O ATOM 85 CB HIS A 6 28.229 -23.306 33.925 1.00 23.02 C ATOM 86 CG HIS A 6 27.746 -24.169 32.796 1.00 44.31 C ATOM 87 ND1 HIS A 6 26.409 -24.381 32.525 1.00 54.30 N ATOM 88 CD2 HIS A 6 28.428 -24.870 31.859 1.00 12.24 C ATOM 89 CE1 HIS A 6 26.292 -25.171 31.477 1.00 13.23 C ATOM 90 NE2 HIS A 6 27.498 -25.479 31.055 1.00 61.11 N ATOM 0 H HIS A 6 28.810 -20.357 34.879 1.00 41.23 H new ATOM 0 HA HIS A 6 29.461 -22.045 32.696 1.00 55.51 H new ATOM 0 HB2 HIS A 6 29.047 -23.814 34.436 1.00 23.02 H new ATOM 0 HB3 HIS A 6 27.425 -23.186 34.651 1.00 23.02 H new ATOM 0 HD2 HIS A 6 29.502 -24.937 31.763 1.00 12.24 H new ATOM 0 HE1 HIS A 6 25.364 -25.508 31.040 1.00 13.23 H new ATOM 0 HE2 HIS A 6 27.709 -26.077 30.256 1.00 61.11 H new ATOM 99 N HIS A 7 27.508 -20.956 31.561 1.00 31.35 N ATOM 100 CA HIS A 7 26.483 -20.132 30.904 1.00 22.43 C ATOM 101 C HIS A 7 25.174 -20.900 30.640 1.00 42.34 C ATOM 102 O HIS A 7 25.183 -22.037 30.161 1.00 1.24 O ATOM 103 CB HIS A 7 27.023 -19.524 29.597 1.00 74.14 C ATOM 104 CG HIS A 7 27.425 -20.522 28.544 1.00 62.12 C ATOM 105 ND1 HIS A 7 28.735 -20.898 28.322 1.00 34.11 N ATOM 106 CD2 HIS A 7 26.689 -21.197 27.627 1.00 70.13 C ATOM 107 CE1 HIS A 7 28.785 -21.753 27.320 1.00 70.42 C ATOM 108 NE2 HIS A 7 27.561 -21.952 26.883 1.00 4.44 N ATOM 0 H HIS A 7 28.183 -21.379 30.924 1.00 31.35 H new ATOM 0 HA HIS A 7 26.243 -19.327 31.599 1.00 22.43 H new ATOM 0 HB2 HIS A 7 26.261 -18.866 29.179 1.00 74.14 H new ATOM 0 HB3 HIS A 7 27.886 -18.902 29.834 1.00 74.14 H new ATOM 0 HD2 HIS A 7 25.617 -21.149 27.505 1.00 70.13 H new ATOM 0 HE1 HIS A 7 29.679 -22.212 26.925 1.00 70.42 H new ATOM 0 HE2 HIS A 7 27.301 -22.569 26.114 1.00 4.44 H new ATOM 117 N HIS A 8 24.055 -20.251 30.959 1.00 51.24 N ATOM 118 CA HIS A 8 22.711 -20.783 30.696 1.00 13.30 C ATOM 119 C HIS A 8 21.930 -19.812 29.795 1.00 43.44 C ATOM 120 O HIS A 8 21.610 -18.698 30.209 1.00 13.23 O ATOM 121 CB HIS A 8 21.965 -20.995 32.028 1.00 43.34 C ATOM 122 CG HIS A 8 20.507 -21.328 31.878 1.00 22.43 C ATOM 123 ND1 HIS A 8 20.024 -22.618 31.863 1.00 12.12 N ATOM 124 CD2 HIS A 8 19.419 -20.527 31.749 1.00 4.23 C ATOM 125 CE1 HIS A 8 18.713 -22.596 31.731 1.00 45.22 C ATOM 126 NE2 HIS A 8 18.321 -21.344 31.660 1.00 54.11 N ATOM 0 H HIS A 8 24.051 -19.336 31.410 1.00 51.24 H new ATOM 0 HA HIS A 8 22.797 -21.741 30.184 1.00 13.30 H new ATOM 0 HB2 HIS A 8 22.453 -21.798 32.580 1.00 43.34 H new ATOM 0 HB3 HIS A 8 22.059 -20.091 32.630 1.00 43.34 H new ATOM 0 HD2 HIS A 8 19.418 -19.447 31.722 1.00 4.23 H new ATOM 0 HE1 HIS A 8 18.069 -23.462 31.688 1.00 45.22 H new ATOM 0 HE2 HIS A 8 17.356 -21.030 31.556 1.00 54.11 H new ATOM 135 N SER A 9 21.621 -20.225 28.566 1.00 33.34 N ATOM 136 CA SER A 9 20.927 -19.334 27.619 1.00 2.43 C ATOM 137 C SER A 9 20.149 -20.106 26.544 1.00 71.13 C ATOM 138 O SER A 9 20.314 -21.317 26.390 1.00 64.24 O ATOM 139 CB SER A 9 21.935 -18.396 26.941 1.00 33.45 C ATOM 140 OG SER A 9 21.289 -17.529 26.018 1.00 35.01 O ATOM 0 H SER A 9 21.833 -21.154 28.201 1.00 33.34 H new ATOM 0 HA SER A 9 20.206 -18.758 28.199 1.00 2.43 H new ATOM 0 HB2 SER A 9 22.453 -17.806 27.697 1.00 33.45 H new ATOM 0 HB3 SER A 9 22.692 -18.985 26.423 1.00 33.45 H new ATOM 0 HG SER A 9 21.953 -16.941 25.602 1.00 35.01 H new ATOM 146 N HIS A 10 19.287 -19.388 25.821 1.00 25.50 N ATOM 147 CA HIS A 10 18.509 -19.951 24.703 1.00 52.12 C ATOM 148 C HIS A 10 18.360 -18.926 23.563 1.00 73.12 C ATOM 149 O HIS A 10 18.625 -17.736 23.747 1.00 43.04 O ATOM 150 CB HIS A 10 17.115 -20.398 25.175 1.00 73.51 C ATOM 151 CG HIS A 10 17.124 -21.638 26.014 1.00 14.03 C ATOM 152 ND1 HIS A 10 16.970 -22.898 25.483 1.00 13.50 N ATOM 153 CD2 HIS A 10 17.271 -21.812 27.350 1.00 75.41 C ATOM 154 CE1 HIS A 10 17.023 -23.792 26.449 1.00 61.11 C ATOM 155 NE2 HIS A 10 17.206 -23.164 27.592 1.00 13.03 N ATOM 0 H HIS A 10 19.105 -18.399 25.990 1.00 25.50 H new ATOM 0 HA HIS A 10 19.054 -20.818 24.330 1.00 52.12 H new ATOM 0 HB2 HIS A 10 16.659 -19.589 25.746 1.00 73.51 H new ATOM 0 HB3 HIS A 10 16.484 -20.567 24.302 1.00 73.51 H new ATOM 0 HD2 HIS A 10 17.413 -21.035 28.086 1.00 75.41 H new ATOM 0 HE1 HIS A 10 16.932 -24.861 26.325 1.00 61.11 H new ATOM 0 HE2 HIS A 10 17.286 -23.608 28.507 1.00 13.03 H new ATOM 164 N MET A 11 17.917 -19.392 22.394 1.00 22.30 N ATOM 165 CA MET A 11 17.757 -18.525 21.214 1.00 23.42 C ATOM 166 C MET A 11 16.388 -17.826 21.190 1.00 70.02 C ATOM 167 O MET A 11 15.403 -18.336 21.726 1.00 62.02 O ATOM 168 CB MET A 11 17.946 -19.345 19.928 1.00 22.54 C ATOM 169 CG MET A 11 19.346 -19.922 19.775 1.00 24.11 C ATOM 170 SD MET A 11 20.624 -18.645 19.748 1.00 0.04 S ATOM 171 CE MET A 11 20.135 -17.699 18.307 1.00 4.23 C ATOM 0 H MET A 11 17.661 -20.366 22.234 1.00 22.30 H new ATOM 0 HA MET A 11 18.522 -17.750 21.274 1.00 23.42 H new ATOM 0 HB2 MET A 11 17.223 -20.160 19.917 1.00 22.54 H new ATOM 0 HB3 MET A 11 17.726 -18.712 19.068 1.00 22.54 H new ATOM 0 HG2 MET A 11 19.543 -20.611 20.597 1.00 24.11 H new ATOM 0 HG3 MET A 11 19.397 -20.502 18.854 1.00 24.11 H new ATOM 0 HE1 MET A 11 20.968 -17.076 17.981 1.00 4.23 H new ATOM 0 HE2 MET A 11 19.854 -18.379 17.503 1.00 4.23 H new ATOM 0 HE3 MET A 11 19.285 -17.065 18.559 1.00 4.23 H new ATOM 181 N ALA A 12 16.338 -16.655 20.556 1.00 32.34 N ATOM 182 CA ALA A 12 15.101 -15.874 20.458 1.00 21.12 C ATOM 183 C ALA A 12 14.363 -16.138 19.132 1.00 35.43 C ATOM 184 O ALA A 12 14.986 -16.318 18.081 1.00 63.23 O ATOM 185 CB ALA A 12 15.415 -14.389 20.606 1.00 4.15 C ATOM 0 H ALA A 12 17.142 -16.223 20.100 1.00 32.34 H new ATOM 0 HA ALA A 12 14.440 -16.187 21.266 1.00 21.12 H new ATOM 0 HB1 ALA A 12 14.493 -13.813 20.532 1.00 4.15 H new ATOM 0 HB2 ALA A 12 15.878 -14.210 21.576 1.00 4.15 H new ATOM 0 HB3 ALA A 12 16.099 -14.081 19.815 1.00 4.15 H new ATOM 191 N LYS A 13 13.030 -16.152 19.185 1.00 33.31 N ATOM 192 CA LYS A 13 12.194 -16.411 17.999 1.00 3.13 C ATOM 193 C LYS A 13 11.102 -15.335 17.831 1.00 74.15 C ATOM 194 O LYS A 13 10.505 -14.889 18.812 1.00 44.21 O ATOM 195 CB LYS A 13 11.550 -17.805 18.105 1.00 63.32 C ATOM 196 CG LYS A 13 12.545 -18.964 18.011 1.00 40.41 C ATOM 197 CD LYS A 13 13.222 -19.029 16.641 1.00 21.04 C ATOM 198 CE LYS A 13 12.214 -19.251 15.515 1.00 43.45 C ATOM 199 NZ LYS A 13 12.873 -19.326 14.183 1.00 61.24 N ATOM 0 H LYS A 13 12.498 -15.987 20.040 1.00 33.31 H new ATOM 0 HA LYS A 13 12.837 -16.374 17.120 1.00 3.13 H new ATOM 0 HB2 LYS A 13 11.016 -17.875 19.053 1.00 63.32 H new ATOM 0 HB3 LYS A 13 10.809 -17.912 17.313 1.00 63.32 H new ATOM 0 HG2 LYS A 13 13.304 -18.854 18.785 1.00 40.41 H new ATOM 0 HG3 LYS A 13 12.027 -19.903 18.204 1.00 40.41 H new ATOM 0 HD2 LYS A 13 13.768 -18.103 16.462 1.00 21.04 H new ATOM 0 HD3 LYS A 13 13.954 -19.836 16.636 1.00 21.04 H new ATOM 0 HE2 LYS A 13 11.662 -20.173 15.699 1.00 43.45 H new ATOM 0 HE3 LYS A 13 11.487 -18.439 15.514 1.00 43.45 H new ATOM 0 HZ1 LYS A 13 12.153 -19.477 13.448 1.00 61.24 H new ATOM 0 HZ2 LYS A 13 13.378 -18.437 13.995 1.00 61.24 H new ATOM 0 HZ3 LYS A 13 13.549 -20.117 14.174 1.00 61.24 H new ATOM 213 N PRO A 14 10.815 -14.912 16.580 1.00 23.40 N ATOM 214 CA PRO A 14 9.811 -13.868 16.299 1.00 73.41 C ATOM 215 C PRO A 14 8.356 -14.385 16.363 1.00 31.44 C ATOM 216 O PRO A 14 8.110 -15.560 16.643 1.00 3.32 O ATOM 217 CB PRO A 14 10.174 -13.440 14.871 1.00 53.44 C ATOM 218 CG PRO A 14 10.717 -14.678 14.244 1.00 73.02 C ATOM 219 CD PRO A 14 11.451 -15.411 15.340 1.00 12.44 C ATOM 0 HA PRO A 14 9.837 -13.064 17.035 1.00 73.41 H new ATOM 0 HB2 PRO A 14 9.301 -13.071 14.332 1.00 53.44 H new ATOM 0 HB3 PRO A 14 10.912 -12.637 14.871 1.00 53.44 H new ATOM 0 HG2 PRO A 14 9.915 -15.292 13.833 1.00 73.02 H new ATOM 0 HG3 PRO A 14 11.387 -14.436 13.419 1.00 73.02 H new ATOM 0 HD2 PRO A 14 11.344 -16.491 15.241 1.00 12.44 H new ATOM 0 HD3 PRO A 14 12.519 -15.194 15.322 1.00 12.44 H new ATOM 227 N THR A 15 7.396 -13.491 16.118 1.00 40.22 N ATOM 228 CA THR A 15 5.966 -13.854 16.117 1.00 13.23 C ATOM 229 C THR A 15 5.162 -12.952 15.167 1.00 71.03 C ATOM 230 O THR A 15 5.343 -11.733 15.154 1.00 75.21 O ATOM 231 CB THR A 15 5.348 -13.762 17.540 1.00 62.22 C ATOM 232 OG1 THR A 15 6.023 -14.659 18.437 1.00 22.42 O ATOM 233 CG2 THR A 15 3.859 -14.098 17.526 1.00 62.30 C ATOM 0 H THR A 15 7.577 -12.508 15.917 1.00 40.22 H new ATOM 0 HA THR A 15 5.910 -14.886 15.772 1.00 13.23 H new ATOM 0 HB THR A 15 5.471 -12.734 17.882 1.00 62.22 H new ATOM 0 HG1 THR A 15 5.625 -14.590 19.330 1.00 22.42 H new ATOM 0 HG21 THR A 15 3.460 -14.024 18.538 1.00 62.30 H new ATOM 0 HG22 THR A 15 3.334 -13.398 16.876 1.00 62.30 H new ATOM 0 HG23 THR A 15 3.719 -15.113 17.154 1.00 62.30 H new ATOM 241 N ALA A 16 4.272 -13.553 14.375 1.00 0.41 N ATOM 242 CA ALA A 16 3.461 -12.796 13.411 1.00 54.21 C ATOM 243 C ALA A 16 1.998 -13.274 13.388 1.00 13.14 C ATOM 244 O ALA A 16 1.659 -14.257 12.724 1.00 43.21 O ATOM 245 CB ALA A 16 4.078 -12.897 12.020 1.00 4.04 C ATOM 0 H ALA A 16 4.093 -14.557 14.379 1.00 0.41 H new ATOM 0 HA ALA A 16 3.454 -11.753 13.728 1.00 54.21 H new ATOM 0 HB1 ALA A 16 3.471 -12.334 11.311 1.00 4.04 H new ATOM 0 HB2 ALA A 16 5.088 -12.487 12.039 1.00 4.04 H new ATOM 0 HB3 ALA A 16 4.116 -13.942 11.714 1.00 4.04 H new ATOM 251 N ARG A 17 1.135 -12.575 14.128 1.00 35.14 N ATOM 252 CA ARG A 17 -0.300 -12.892 14.158 1.00 73.13 C ATOM 253 C ARG A 17 -1.092 -11.910 13.275 1.00 35.45 C ATOM 254 O ARG A 17 -1.556 -10.865 13.741 1.00 24.13 O ATOM 255 CB ARG A 17 -0.822 -12.851 15.604 1.00 12.32 C ATOM 256 CG ARG A 17 -2.284 -13.277 15.776 1.00 43.54 C ATOM 257 CD ARG A 17 -2.487 -14.785 15.599 1.00 12.22 C ATOM 258 NE ARG A 17 -2.311 -15.229 14.213 1.00 44.35 N ATOM 259 CZ ARG A 17 -2.542 -16.445 13.798 1.00 25.42 C ATOM 260 NH1 ARG A 17 -2.956 -17.355 14.621 1.00 23.42 N ATOM 261 NH2 ARG A 17 -2.368 -16.743 12.554 1.00 73.32 N ATOM 0 H ARG A 17 1.402 -11.785 14.716 1.00 35.14 H new ATOM 0 HA ARG A 17 -0.440 -13.898 13.762 1.00 73.13 H new ATOM 0 HB2 ARG A 17 -0.196 -13.497 16.219 1.00 12.32 H new ATOM 0 HB3 ARG A 17 -0.707 -11.837 15.988 1.00 12.32 H new ATOM 0 HG2 ARG A 17 -2.630 -12.982 16.767 1.00 43.54 H new ATOM 0 HG3 ARG A 17 -2.901 -12.744 15.052 1.00 43.54 H new ATOM 0 HD2 ARG A 17 -1.782 -15.318 16.237 1.00 12.22 H new ATOM 0 HD3 ARG A 17 -3.488 -15.053 15.936 1.00 12.22 H new ATOM 0 HE ARG A 17 -1.988 -14.544 13.530 1.00 44.35 H new ATOM 0 HH11 ARG A 17 -3.105 -17.125 15.603 1.00 23.42 H new ATOM 0 HH12 ARG A 17 -3.134 -18.302 14.287 1.00 23.42 H new ATOM 0 HH21 ARG A 17 -2.051 -16.029 11.898 1.00 73.32 H new ATOM 0 HH22 ARG A 17 -2.548 -17.692 12.227 1.00 73.32 H new ATOM 275 N GLY A 18 -1.230 -12.251 11.995 1.00 31.03 N ATOM 276 CA GLY A 18 -1.888 -11.368 11.037 1.00 63.51 C ATOM 277 C GLY A 18 -3.408 -11.477 11.046 1.00 72.23 C ATOM 278 O GLY A 18 -3.998 -12.134 10.185 1.00 24.42 O ATOM 0 H GLY A 18 -0.896 -13.130 11.599 1.00 31.03 H new ATOM 0 HA2 GLY A 18 -1.605 -10.338 11.253 1.00 63.51 H new ATOM 0 HA3 GLY A 18 -1.522 -11.596 10.036 1.00 63.51 H new ATOM 282 N GLU A 19 -4.046 -10.835 12.020 1.00 53.32 N ATOM 283 CA GLU A 19 -5.511 -10.785 12.078 1.00 54.50 C ATOM 284 C GLU A 19 -6.056 -9.696 11.139 1.00 33.11 C ATOM 285 O GLU A 19 -6.012 -8.504 11.458 1.00 13.22 O ATOM 286 CB GLU A 19 -5.982 -10.537 13.520 1.00 14.22 C ATOM 287 CG GLU A 19 -5.504 -11.596 14.512 1.00 33.23 C ATOM 288 CD GLU A 19 -5.914 -13.009 14.118 1.00 54.33 C ATOM 289 OE1 GLU A 19 -7.075 -13.391 14.372 1.00 32.40 O ATOM 290 OE2 GLU A 19 -5.079 -13.745 13.549 1.00 64.30 O ATOM 0 H GLU A 19 -3.577 -10.342 12.780 1.00 53.32 H new ATOM 0 HA GLU A 19 -5.900 -11.748 11.746 1.00 54.50 H new ATOM 0 HB2 GLU A 19 -5.627 -9.560 13.846 1.00 14.22 H new ATOM 0 HB3 GLU A 19 -7.071 -10.502 13.536 1.00 14.22 H new ATOM 0 HG2 GLU A 19 -4.418 -11.548 14.591 1.00 33.23 H new ATOM 0 HG3 GLU A 19 -5.906 -11.369 15.499 1.00 33.23 H new ATOM 297 N ALA A 20 -6.565 -10.117 9.981 1.00 21.23 N ATOM 298 CA ALA A 20 -6.996 -9.185 8.932 1.00 35.43 C ATOM 299 C ALA A 20 -8.523 -9.039 8.871 1.00 52.30 C ATOM 300 O ALA A 20 -9.267 -9.987 9.147 1.00 35.14 O ATOM 301 CB ALA A 20 -6.466 -9.649 7.583 1.00 52.13 C ATOM 0 H ALA A 20 -6.690 -11.101 9.743 1.00 21.23 H new ATOM 0 HA ALA A 20 -6.587 -8.205 9.177 1.00 35.43 H new ATOM 0 HB1 ALA A 20 -6.788 -8.955 6.807 1.00 52.13 H new ATOM 0 HB2 ALA A 20 -5.377 -9.681 7.612 1.00 52.13 H new ATOM 0 HB3 ALA A 20 -6.853 -10.644 7.363 1.00 52.13 H new ATOM 307 N GLY A 21 -8.979 -7.844 8.499 1.00 31.23 N ATOM 308 CA GLY A 21 -10.409 -7.588 8.343 1.00 3.22 C ATOM 309 C GLY A 21 -10.815 -7.304 6.898 1.00 45.50 C ATOM 310 O GLY A 21 -11.899 -7.705 6.457 1.00 3.35 O ATOM 0 H GLY A 21 -8.382 -7.041 8.301 1.00 31.23 H new ATOM 0 HA2 GLY A 21 -10.968 -8.450 8.708 1.00 3.22 H new ATOM 0 HA3 GLY A 21 -10.690 -6.739 8.966 1.00 3.22 H new ATOM 314 N SER A 22 -9.949 -6.614 6.153 1.00 32.43 N ATOM 315 CA SER A 22 -10.229 -6.258 4.751 1.00 22.21 C ATOM 316 C SER A 22 -9.551 -7.224 3.771 1.00 60.22 C ATOM 317 O SER A 22 -8.684 -8.017 4.151 1.00 45.11 O ATOM 318 CB SER A 22 -9.746 -4.832 4.456 1.00 23.15 C ATOM 319 OG SER A 22 -8.327 -4.756 4.479 1.00 63.14 O ATOM 0 H SER A 22 -9.045 -6.288 6.494 1.00 32.43 H new ATOM 0 HA SER A 22 -11.308 -6.324 4.614 1.00 22.21 H new ATOM 0 HB2 SER A 22 -10.114 -4.515 3.480 1.00 23.15 H new ATOM 0 HB3 SER A 22 -10.162 -4.144 5.193 1.00 23.15 H new ATOM 0 HG SER A 22 -8.045 -3.837 4.287 1.00 63.14 H new ATOM 325 N ARG A 23 -9.951 -7.146 2.500 1.00 15.33 N ATOM 326 CA ARG A 23 -9.348 -7.969 1.442 1.00 3.13 C ATOM 327 C ARG A 23 -7.914 -7.515 1.136 1.00 41.31 C ATOM 328 O ARG A 23 -7.042 -8.331 0.830 1.00 34.21 O ATOM 329 CB ARG A 23 -10.204 -7.906 0.168 1.00 13.43 C ATOM 330 CG ARG A 23 -11.627 -8.417 0.367 1.00 75.44 C ATOM 331 CD ARG A 23 -12.458 -8.310 -0.906 1.00 11.45 C ATOM 332 NE ARG A 23 -13.826 -8.778 -0.699 1.00 70.24 N ATOM 333 CZ ARG A 23 -14.653 -9.084 -1.660 1.00 62.53 C ATOM 334 NH1 ARG A 23 -14.307 -8.947 -2.902 1.00 44.15 N ATOM 335 NH2 ARG A 23 -15.837 -9.513 -1.377 1.00 42.43 N ATOM 0 H ARG A 23 -10.690 -6.522 2.175 1.00 15.33 H new ATOM 0 HA ARG A 23 -9.310 -8.999 1.797 1.00 3.13 H new ATOM 0 HB2 ARG A 23 -10.242 -6.875 -0.184 1.00 13.43 H new ATOM 0 HB3 ARG A 23 -9.722 -8.492 -0.614 1.00 13.43 H new ATOM 0 HG2 ARG A 23 -11.596 -9.457 0.693 1.00 75.44 H new ATOM 0 HG3 ARG A 23 -12.108 -7.848 1.162 1.00 75.44 H new ATOM 0 HD2 ARG A 23 -12.475 -7.274 -1.243 1.00 11.45 H new ATOM 0 HD3 ARG A 23 -11.989 -8.895 -1.697 1.00 11.45 H new ATOM 0 HE ARG A 23 -14.157 -8.872 0.261 1.00 70.24 H new ATOM 0 HH11 ARG A 23 -13.378 -8.596 -3.137 1.00 44.15 H new ATOM 0 HH12 ARG A 23 -14.963 -9.190 -3.644 1.00 44.15 H new ATOM 0 HH21 ARG A 23 -16.124 -9.612 -0.403 1.00 42.43 H new ATOM 0 HH22 ARG A 23 -16.485 -9.753 -2.127 1.00 42.43 H new ATOM 349 N ASP A 24 -7.677 -6.209 1.231 1.00 62.42 N ATOM 350 CA ASP A 24 -6.345 -5.638 1.018 1.00 32.22 C ATOM 351 C ASP A 24 -5.325 -6.278 1.973 1.00 71.44 C ATOM 352 O ASP A 24 -4.224 -6.663 1.570 1.00 21.51 O ATOM 353 CB ASP A 24 -6.393 -4.123 1.233 1.00 30.43 C ATOM 354 CG ASP A 24 -7.558 -3.484 0.500 1.00 32.24 C ATOM 355 OD1 ASP A 24 -8.690 -3.533 1.031 1.00 61.10 O ATOM 356 OD2 ASP A 24 -7.356 -2.943 -0.603 1.00 11.50 O ATOM 0 H ASP A 24 -8.395 -5.520 1.456 1.00 62.42 H new ATOM 0 HA ASP A 24 -6.032 -5.845 -0.006 1.00 32.22 H new ATOM 0 HB2 ASP A 24 -6.474 -3.910 2.299 1.00 30.43 H new ATOM 0 HB3 ASP A 24 -5.459 -3.678 0.889 1.00 30.43 H new ATOM 361 N GLU A 25 -5.714 -6.403 3.244 1.00 44.55 N ATOM 362 CA GLU A 25 -4.882 -7.070 4.251 1.00 15.53 C ATOM 363 C GLU A 25 -4.644 -8.547 3.898 1.00 52.23 C ATOM 364 O GLU A 25 -3.567 -9.085 4.144 1.00 42.34 O ATOM 365 CB GLU A 25 -5.534 -6.968 5.634 1.00 73.11 C ATOM 366 CG GLU A 25 -5.622 -5.549 6.182 1.00 43.03 C ATOM 367 CD GLU A 25 -6.304 -5.492 7.539 1.00 55.41 C ATOM 368 OE1 GLU A 25 -7.552 -5.426 7.579 1.00 51.30 O ATOM 369 OE2 GLU A 25 -5.599 -5.512 8.567 1.00 31.52 O ATOM 0 H GLU A 25 -6.602 -6.051 3.602 1.00 44.55 H new ATOM 0 HA GLU A 25 -3.917 -6.564 4.267 1.00 15.53 H new ATOM 0 HB2 GLU A 25 -6.539 -7.388 5.581 1.00 73.11 H new ATOM 0 HB3 GLU A 25 -4.969 -7.582 6.336 1.00 73.11 H new ATOM 0 HG2 GLU A 25 -4.618 -5.132 6.265 1.00 43.03 H new ATOM 0 HG3 GLU A 25 -6.170 -4.924 5.477 1.00 43.03 H new ATOM 376 N ARG A 26 -5.653 -9.197 3.317 1.00 1.12 N ATOM 377 CA ARG A 26 -5.532 -10.603 2.906 1.00 43.13 C ATOM 378 C ARG A 26 -4.434 -10.785 1.846 1.00 4.21 C ATOM 379 O ARG A 26 -3.686 -11.764 1.877 1.00 52.30 O ATOM 380 CB ARG A 26 -6.880 -11.130 2.392 1.00 0.23 C ATOM 381 CG ARG A 26 -7.950 -11.200 3.475 1.00 25.04 C ATOM 382 CD ARG A 26 -7.542 -12.144 4.602 1.00 32.34 C ATOM 383 NE ARG A 26 -8.439 -12.056 5.750 1.00 14.53 N ATOM 384 CZ ARG A 26 -8.293 -12.744 6.850 1.00 72.35 C ATOM 385 NH1 ARG A 26 -7.353 -13.631 6.950 1.00 20.22 N ATOM 386 NH2 ARG A 26 -9.104 -12.555 7.838 1.00 33.02 N ATOM 0 H ARG A 26 -6.561 -8.777 3.119 1.00 1.12 H new ATOM 0 HA ARG A 26 -5.243 -11.185 3.781 1.00 43.13 H new ATOM 0 HB2 ARG A 26 -7.231 -10.486 1.585 1.00 0.23 H new ATOM 0 HB3 ARG A 26 -6.736 -12.124 1.968 1.00 0.23 H new ATOM 0 HG2 ARG A 26 -8.126 -10.203 3.879 1.00 25.04 H new ATOM 0 HG3 ARG A 26 -8.890 -11.537 3.038 1.00 25.04 H new ATOM 0 HD2 ARG A 26 -7.532 -13.168 4.229 1.00 32.34 H new ATOM 0 HD3 ARG A 26 -6.526 -11.910 4.919 1.00 32.34 H new ATOM 0 HE ARG A 26 -9.231 -11.416 5.689 1.00 14.53 H new ATOM 0 HH11 ARG A 26 -6.721 -13.795 6.166 1.00 20.22 H new ATOM 0 HH12 ARG A 26 -7.245 -14.165 7.813 1.00 20.22 H new ATOM 0 HH21 ARG A 26 -9.855 -11.870 7.757 1.00 33.02 H new ATOM 0 HH22 ARG A 26 -8.993 -13.091 8.699 1.00 33.02 H new ATOM 400 N ARG A 27 -4.338 -9.843 0.908 1.00 31.43 N ATOM 401 CA ARG A 27 -3.209 -9.816 -0.031 1.00 74.01 C ATOM 402 C ARG A 27 -1.893 -9.527 0.714 1.00 51.13 C ATOM 403 O ARG A 27 -0.868 -10.168 0.471 1.00 1.54 O ATOM 404 CB ARG A 27 -3.417 -8.753 -1.124 1.00 74.31 C ATOM 405 CG ARG A 27 -4.301 -9.173 -2.301 1.00 51.04 C ATOM 406 CD ARG A 27 -5.783 -9.231 -1.950 1.00 4.01 C ATOM 407 NE ARG A 27 -6.178 -10.495 -1.335 1.00 20.14 N ATOM 408 CZ ARG A 27 -7.406 -10.940 -1.330 1.00 52.14 C ATOM 409 NH1 ARG A 27 -8.351 -10.267 -1.904 1.00 65.51 N ATOM 410 NH2 ARG A 27 -7.691 -12.064 -0.761 1.00 75.21 N ATOM 0 H ARG A 27 -5.018 -9.095 0.776 1.00 31.43 H new ATOM 0 HA ARG A 27 -3.153 -10.797 -0.502 1.00 74.01 H new ATOM 0 HB2 ARG A 27 -3.854 -7.867 -0.664 1.00 74.31 H new ATOM 0 HB3 ARG A 27 -2.441 -8.462 -1.512 1.00 74.31 H new ATOM 0 HG2 ARG A 27 -4.156 -8.472 -3.123 1.00 51.04 H new ATOM 0 HG3 ARG A 27 -3.980 -10.152 -2.656 1.00 51.04 H new ATOM 0 HD2 ARG A 27 -6.021 -8.413 -1.270 1.00 4.01 H new ATOM 0 HD3 ARG A 27 -6.371 -9.075 -2.855 1.00 4.01 H new ATOM 0 HE ARG A 27 -5.457 -11.060 -0.886 1.00 20.14 H new ATOM 0 HH11 ARG A 27 -8.139 -9.382 -2.365 1.00 65.51 H new ATOM 0 HH12 ARG A 27 -9.307 -10.622 -1.895 1.00 65.51 H new ATOM 0 HH21 ARG A 27 -6.955 -12.609 -0.312 1.00 75.21 H new ATOM 0 HH22 ARG A 27 -8.652 -12.406 -0.760 1.00 75.21 H new ATOM 424 N ALA A 28 -1.944 -8.554 1.625 1.00 23.25 N ATOM 425 CA ALA A 28 -0.768 -8.125 2.392 1.00 50.02 C ATOM 426 C ALA A 28 -0.105 -9.291 3.144 1.00 73.13 C ATOM 427 O ALA A 28 1.076 -9.577 2.942 1.00 63.24 O ATOM 428 CB ALA A 28 -1.156 -7.016 3.369 1.00 12.45 C ATOM 0 H ALA A 28 -2.796 -8.042 1.853 1.00 23.25 H new ATOM 0 HA ALA A 28 -0.036 -7.744 1.680 1.00 50.02 H new ATOM 0 HB1 ALA A 28 -0.277 -6.704 3.933 1.00 12.45 H new ATOM 0 HB2 ALA A 28 -1.552 -6.165 2.815 1.00 12.45 H new ATOM 0 HB3 ALA A 28 -1.916 -7.386 4.057 1.00 12.45 H new ATOM 434 N LEU A 29 -0.866 -9.965 4.007 1.00 14.12 N ATOM 435 CA LEU A 29 -0.338 -11.084 4.801 1.00 40.20 C ATOM 436 C LEU A 29 0.112 -12.259 3.914 1.00 60.21 C ATOM 437 O LEU A 29 1.028 -13.001 4.272 1.00 55.22 O ATOM 438 CB LEU A 29 -1.382 -11.534 5.847 1.00 51.31 C ATOM 439 CG LEU A 29 -2.765 -11.957 5.302 1.00 2.15 C ATOM 440 CD1 LEU A 29 -2.769 -13.418 4.851 1.00 52.01 C ATOM 441 CD2 LEU A 29 -3.853 -11.707 6.346 1.00 63.32 C ATOM 0 H LEU A 29 -1.850 -9.758 4.177 1.00 14.12 H new ATOM 0 HA LEU A 29 0.550 -10.733 5.326 1.00 40.20 H new ATOM 0 HB2 LEU A 29 -0.965 -12.371 6.407 1.00 51.31 H new ATOM 0 HB3 LEU A 29 -1.529 -10.719 6.555 1.00 51.31 H new ATOM 0 HG LEU A 29 -2.978 -11.344 4.426 1.00 2.15 H new ATOM 0 HD11 LEU A 29 -3.758 -13.680 4.474 1.00 52.01 H new ATOM 0 HD12 LEU A 29 -2.031 -13.557 4.061 1.00 52.01 H new ATOM 0 HD13 LEU A 29 -2.521 -14.060 5.696 1.00 52.01 H new ATOM 0 HD21 LEU A 29 -4.820 -12.011 5.944 1.00 63.32 H new ATOM 0 HD22 LEU A 29 -3.635 -12.285 7.244 1.00 63.32 H new ATOM 0 HD23 LEU A 29 -3.881 -10.646 6.595 1.00 63.32 H new ATOM 453 N ALA A 30 -0.527 -12.418 2.756 1.00 5.52 N ATOM 454 CA ALA A 30 -0.149 -13.470 1.802 1.00 64.41 C ATOM 455 C ALA A 30 1.226 -13.188 1.175 1.00 60.02 C ATOM 456 O ALA A 30 2.042 -14.097 0.990 1.00 15.42 O ATOM 457 CB ALA A 30 -1.212 -13.605 0.719 1.00 75.53 C ATOM 0 H ALA A 30 -1.307 -11.836 2.452 1.00 5.52 H new ATOM 0 HA ALA A 30 -0.079 -14.411 2.347 1.00 64.41 H new ATOM 0 HB1 ALA A 30 -0.920 -14.387 0.018 1.00 75.53 H new ATOM 0 HB2 ALA A 30 -2.167 -13.865 1.177 1.00 75.53 H new ATOM 0 HB3 ALA A 30 -1.311 -12.659 0.186 1.00 75.53 H new ATOM 463 N MET A 31 1.473 -11.922 0.846 1.00 53.51 N ATOM 464 CA MET A 31 2.771 -11.495 0.304 1.00 60.30 C ATOM 465 C MET A 31 3.760 -11.156 1.430 1.00 13.45 C ATOM 466 O MET A 31 4.954 -10.974 1.179 1.00 10.15 O ATOM 467 CB MET A 31 2.590 -10.286 -0.619 1.00 62.01 C ATOM 468 CG MET A 31 1.733 -10.577 -1.844 1.00 24.42 C ATOM 469 SD MET A 31 2.416 -11.886 -2.876 1.00 52.41 S ATOM 470 CE MET A 31 3.987 -11.166 -3.359 1.00 3.13 C ATOM 0 H MET A 31 0.793 -11.168 0.944 1.00 53.51 H new ATOM 0 HA MET A 31 3.183 -12.324 -0.271 1.00 60.30 H new ATOM 0 HB2 MET A 31 2.136 -9.472 -0.053 1.00 62.01 H new ATOM 0 HB3 MET A 31 3.570 -9.939 -0.946 1.00 62.01 H new ATOM 0 HG2 MET A 31 0.731 -10.860 -1.522 1.00 24.42 H new ATOM 0 HG3 MET A 31 1.633 -9.668 -2.437 1.00 24.42 H new ATOM 0 HE1 MET A 31 4.384 -11.704 -4.220 1.00 3.13 H new ATOM 0 HE2 MET A 31 3.842 -10.118 -3.621 1.00 3.13 H new ATOM 0 HE3 MET A 31 4.691 -11.238 -2.530 1.00 3.13 H new ATOM 480 N LYS A 32 3.244 -11.083 2.663 1.00 30.00 N ATOM 481 CA LYS A 32 4.046 -10.812 3.870 1.00 11.43 C ATOM 482 C LYS A 32 4.432 -9.325 3.987 1.00 13.41 C ATOM 483 O LYS A 32 5.608 -8.957 3.933 1.00 5.51 O ATOM 484 CB LYS A 32 5.287 -11.721 3.921 1.00 13.45 C ATOM 485 CG LYS A 32 4.946 -13.204 3.802 1.00 41.34 C ATOM 486 CD LYS A 32 6.191 -14.085 3.767 1.00 51.53 C ATOM 487 CE LYS A 32 5.829 -15.548 3.530 1.00 42.34 C ATOM 488 NZ LYS A 32 5.103 -15.733 2.243 1.00 54.13 N ATOM 0 H LYS A 32 2.251 -11.211 2.856 1.00 30.00 H new ATOM 0 HA LYS A 32 3.422 -11.044 4.733 1.00 11.43 H new ATOM 0 HB2 LYS A 32 5.966 -11.444 3.115 1.00 13.45 H new ATOM 0 HB3 LYS A 32 5.817 -11.550 4.858 1.00 13.45 H new ATOM 0 HG2 LYS A 32 4.319 -13.499 4.644 1.00 41.34 H new ATOM 0 HG3 LYS A 32 4.362 -13.368 2.896 1.00 41.34 H new ATOM 0 HD2 LYS A 32 6.860 -13.741 2.978 1.00 51.53 H new ATOM 0 HD3 LYS A 32 6.733 -13.990 4.708 1.00 51.53 H new ATOM 0 HE2 LYS A 32 6.737 -16.152 3.526 1.00 42.34 H new ATOM 0 HE3 LYS A 32 5.210 -15.908 4.352 1.00 42.34 H new ATOM 0 HZ1 LYS A 32 5.140 -16.734 1.964 1.00 54.13 H new ATOM 0 HZ2 LYS A 32 4.111 -15.442 2.359 1.00 54.13 H new ATOM 0 HZ3 LYS A 32 5.550 -15.152 1.506 1.00 54.13 H new ATOM 502 N ILE A 33 3.413 -8.474 4.133 1.00 12.41 N ATOM 503 CA ILE A 33 3.607 -7.032 4.357 1.00 73.43 C ATOM 504 C ILE A 33 3.559 -6.701 5.867 1.00 21.03 C ATOM 505 O ILE A 33 2.539 -6.910 6.520 1.00 1.11 O ATOM 506 CB ILE A 33 2.522 -6.204 3.613 1.00 22.11 C ATOM 507 CG1 ILE A 33 2.572 -6.479 2.098 1.00 51.12 C ATOM 508 CG2 ILE A 33 2.681 -4.709 3.895 1.00 22.31 C ATOM 509 CD1 ILE A 33 3.869 -6.064 1.436 1.00 60.42 C ATOM 0 H ILE A 33 2.434 -8.759 4.100 1.00 12.41 H new ATOM 0 HA ILE A 33 4.588 -6.767 3.963 1.00 73.43 H new ATOM 0 HB ILE A 33 1.547 -6.515 3.988 1.00 22.11 H new ATOM 0 HG12 ILE A 33 2.414 -7.544 1.928 1.00 51.12 H new ATOM 0 HG13 ILE A 33 1.747 -5.954 1.617 1.00 51.12 H new ATOM 0 HG21 ILE A 33 1.909 -4.154 3.362 1.00 22.31 H new ATOM 0 HG22 ILE A 33 2.584 -4.528 4.966 1.00 22.31 H new ATOM 0 HG23 ILE A 33 3.664 -4.378 3.559 1.00 22.31 H new ATOM 0 HD11 ILE A 33 3.823 -6.291 0.371 1.00 60.42 H new ATOM 0 HD12 ILE A 33 4.021 -4.993 1.572 1.00 60.42 H new ATOM 0 HD13 ILE A 33 4.698 -6.608 1.888 1.00 60.42 H new ATOM 521 N PRO A 34 4.664 -6.177 6.438 1.00 2.32 N ATOM 522 CA PRO A 34 4.768 -5.919 7.889 1.00 63.03 C ATOM 523 C PRO A 34 4.108 -4.605 8.363 1.00 63.54 C ATOM 524 O PRO A 34 4.261 -4.218 9.523 1.00 24.02 O ATOM 525 CB PRO A 34 6.282 -5.866 8.100 1.00 51.02 C ATOM 526 CG PRO A 34 6.819 -5.310 6.822 1.00 65.15 C ATOM 527 CD PRO A 34 5.910 -5.814 5.727 1.00 11.11 C ATOM 0 HA PRO A 34 4.241 -6.680 8.464 1.00 63.03 H new ATOM 0 HB2 PRO A 34 6.542 -5.233 8.948 1.00 51.02 H new ATOM 0 HB3 PRO A 34 6.689 -6.856 8.304 1.00 51.02 H new ATOM 0 HG2 PRO A 34 6.831 -4.220 6.847 1.00 65.15 H new ATOM 0 HG3 PRO A 34 7.846 -5.637 6.657 1.00 65.15 H new ATOM 0 HD2 PRO A 34 5.731 -5.048 4.972 1.00 11.11 H new ATOM 0 HD3 PRO A 34 6.342 -6.673 5.213 1.00 11.11 H new ATOM 535 N PHE A 35 3.369 -3.929 7.484 1.00 53.10 N ATOM 536 CA PHE A 35 2.707 -2.662 7.843 1.00 61.45 C ATOM 537 C PHE A 35 1.242 -2.618 7.352 1.00 61.44 C ATOM 538 O PHE A 35 0.895 -3.237 6.345 1.00 74.14 O ATOM 539 CB PHE A 35 3.506 -1.459 7.306 1.00 25.53 C ATOM 540 CG PHE A 35 3.930 -1.575 5.865 1.00 32.30 C ATOM 541 CD1 PHE A 35 3.100 -1.153 4.837 1.00 15.24 C ATOM 542 CD2 PHE A 35 5.173 -2.097 5.539 1.00 62.22 C ATOM 543 CE1 PHE A 35 3.500 -1.251 3.517 1.00 4.31 C ATOM 544 CE2 PHE A 35 5.576 -2.196 4.223 1.00 74.33 C ATOM 545 CZ PHE A 35 4.738 -1.773 3.210 1.00 51.14 C ATOM 0 H PHE A 35 3.210 -4.230 6.522 1.00 53.10 H new ATOM 0 HA PHE A 35 2.683 -2.602 8.931 1.00 61.45 H new ATOM 0 HB2 PHE A 35 2.902 -0.559 7.421 1.00 25.53 H new ATOM 0 HB3 PHE A 35 4.395 -1.327 7.922 1.00 25.53 H new ATOM 0 HD1 PHE A 35 2.129 -0.743 5.071 1.00 15.24 H new ATOM 0 HD2 PHE A 35 5.834 -2.430 6.325 1.00 62.22 H new ATOM 0 HE1 PHE A 35 2.843 -0.919 2.727 1.00 4.31 H new ATOM 0 HE2 PHE A 35 6.547 -2.604 3.985 1.00 74.33 H new ATOM 0 HZ PHE A 35 5.052 -1.851 2.180 1.00 51.14 H new ATOM 555 N PRO A 36 0.361 -1.884 8.074 1.00 74.10 N ATOM 556 CA PRO A 36 -1.091 -1.854 7.787 1.00 14.42 C ATOM 557 C PRO A 36 -1.470 -1.106 6.491 1.00 11.10 C ATOM 558 O PRO A 36 -0.769 -0.192 6.047 1.00 22.31 O ATOM 559 CB PRO A 36 -1.668 -1.124 9.007 1.00 75.03 C ATOM 560 CG PRO A 36 -0.557 -0.250 9.478 1.00 74.32 C ATOM 561 CD PRO A 36 0.707 -1.029 9.230 1.00 2.11 C ATOM 0 HA PRO A 36 -1.476 -2.861 7.627 1.00 14.42 H new ATOM 0 HB2 PRO A 36 -2.548 -0.539 8.740 1.00 75.03 H new ATOM 0 HB3 PRO A 36 -1.976 -1.827 9.781 1.00 75.03 H new ATOM 0 HG2 PRO A 36 -0.547 0.696 8.937 1.00 74.32 H new ATOM 0 HG3 PRO A 36 -0.668 -0.011 10.536 1.00 74.32 H new ATOM 0 HD2 PRO A 36 1.547 -0.371 9.006 1.00 2.11 H new ATOM 0 HD3 PRO A 36 0.990 -1.623 10.099 1.00 2.11 H new ATOM 569 N THR A 37 -2.621 -1.478 5.924 1.00 72.02 N ATOM 570 CA THR A 37 -3.110 -0.905 4.658 1.00 21.31 C ATOM 571 C THR A 37 -3.499 0.574 4.799 1.00 43.45 C ATOM 572 O THR A 37 -3.241 1.381 3.906 1.00 2.12 O ATOM 573 CB THR A 37 -4.345 -1.676 4.136 1.00 4.12 C ATOM 574 OG1 THR A 37 -5.440 -1.520 5.054 1.00 0.32 O ATOM 575 CG2 THR A 37 -4.028 -3.157 3.958 1.00 2.34 C ATOM 0 H THR A 37 -3.241 -2.182 6.324 1.00 72.02 H new ATOM 0 HA THR A 37 -2.283 -0.992 3.953 1.00 21.31 H new ATOM 0 HB THR A 37 -4.621 -1.265 3.165 1.00 4.12 H new ATOM 0 HG1 THR A 37 -6.220 -2.009 4.718 1.00 0.32 H new ATOM 0 HG21 THR A 37 -4.913 -3.677 3.590 1.00 2.34 H new ATOM 0 HG22 THR A 37 -3.215 -3.271 3.241 1.00 2.34 H new ATOM 0 HG23 THR A 37 -3.729 -3.583 4.916 1.00 2.34 H new ATOM 583 N ASP A 38 -4.132 0.918 5.922 1.00 43.54 N ATOM 584 CA ASP A 38 -4.599 2.287 6.174 1.00 42.14 C ATOM 585 C ASP A 38 -3.468 3.315 5.998 1.00 71.12 C ATOM 586 O ASP A 38 -3.617 4.304 5.276 1.00 25.11 O ATOM 587 CB ASP A 38 -5.180 2.379 7.585 1.00 51.12 C ATOM 588 CG ASP A 38 -6.180 1.267 7.852 1.00 45.31 C ATOM 589 OD1 ASP A 38 -7.371 1.433 7.521 1.00 72.35 O ATOM 590 OD2 ASP A 38 -5.768 0.211 8.379 1.00 50.51 O ATOM 0 H ASP A 38 -4.335 0.264 6.678 1.00 43.54 H new ATOM 0 HA ASP A 38 -5.372 2.521 5.442 1.00 42.14 H new ATOM 0 HB2 ASP A 38 -4.373 2.326 8.316 1.00 51.12 H new ATOM 0 HB3 ASP A 38 -5.666 3.346 7.717 1.00 51.12 H new ATOM 595 N LYS A 39 -2.332 3.065 6.652 1.00 62.54 N ATOM 596 CA LYS A 39 -1.160 3.935 6.524 1.00 14.24 C ATOM 597 C LYS A 39 -0.706 4.043 5.056 1.00 70.42 C ATOM 598 O LYS A 39 -0.422 5.136 4.565 1.00 11.44 O ATOM 599 CB LYS A 39 -0.012 3.415 7.406 1.00 32.23 C ATOM 600 CG LYS A 39 1.266 4.250 7.310 1.00 51.23 C ATOM 601 CD LYS A 39 2.347 3.782 8.286 1.00 4.22 C ATOM 602 CE LYS A 39 1.952 4.031 9.740 1.00 14.42 C ATOM 603 NZ LYS A 39 3.062 3.719 10.678 1.00 63.23 N ATOM 0 H LYS A 39 -2.198 2.268 7.275 1.00 62.54 H new ATOM 0 HA LYS A 39 -1.439 4.933 6.862 1.00 14.24 H new ATOM 0 HB2 LYS A 39 -0.344 3.394 8.444 1.00 32.23 H new ATOM 0 HB3 LYS A 39 0.214 2.387 7.123 1.00 32.23 H new ATOM 0 HG2 LYS A 39 1.653 4.199 6.292 1.00 51.23 H new ATOM 0 HG3 LYS A 39 1.029 5.295 7.509 1.00 51.23 H new ATOM 0 HD2 LYS A 39 2.533 2.718 8.138 1.00 4.22 H new ATOM 0 HD3 LYS A 39 3.280 4.302 8.070 1.00 4.22 H new ATOM 0 HE2 LYS A 39 1.656 5.073 9.862 1.00 14.42 H new ATOM 0 HE3 LYS A 39 1.084 3.421 9.990 1.00 14.42 H new ATOM 0 HZ1 LYS A 39 2.753 3.901 11.654 1.00 63.23 H new ATOM 0 HZ2 LYS A 39 3.328 2.718 10.580 1.00 63.23 H new ATOM 0 HZ3 LYS A 39 3.882 4.319 10.457 1.00 63.23 H new ATOM 617 N ILE A 40 -0.661 2.902 4.363 1.00 11.42 N ATOM 618 CA ILE A 40 -0.309 2.859 2.934 1.00 64.44 C ATOM 619 C ILE A 40 -1.118 3.878 2.117 1.00 72.34 C ATOM 620 O ILE A 40 -0.566 4.641 1.322 1.00 32.03 O ATOM 621 CB ILE A 40 -0.559 1.444 2.343 1.00 64.52 C ATOM 622 CG1 ILE A 40 0.323 0.397 3.044 1.00 24.12 C ATOM 623 CG2 ILE A 40 -0.320 1.436 0.834 1.00 41.41 C ATOM 624 CD1 ILE A 40 0.065 -1.029 2.587 1.00 33.01 C ATOM 0 H ILE A 40 -0.865 1.988 4.768 1.00 11.42 H new ATOM 0 HA ILE A 40 0.750 3.108 2.867 1.00 64.44 H new ATOM 0 HB ILE A 40 -1.602 1.181 2.520 1.00 64.52 H new ATOM 0 HG12 ILE A 40 1.370 0.641 2.867 1.00 24.12 H new ATOM 0 HG13 ILE A 40 0.159 0.459 4.120 1.00 24.12 H new ATOM 0 HG21 ILE A 40 -0.501 0.435 0.442 1.00 41.41 H new ATOM 0 HG22 ILE A 40 -0.998 2.142 0.354 1.00 41.41 H new ATOM 0 HG23 ILE A 40 0.710 1.726 0.627 1.00 41.41 H new ATOM 0 HD11 ILE A 40 0.725 -1.709 3.126 1.00 33.01 H new ATOM 0 HD12 ILE A 40 -0.973 -1.294 2.789 1.00 33.01 H new ATOM 0 HD13 ILE A 40 0.258 -1.109 1.517 1.00 33.01 H new ATOM 636 N VAL A 41 -2.432 3.880 2.321 1.00 0.33 N ATOM 637 CA VAL A 41 -3.333 4.768 1.583 1.00 40.45 C ATOM 638 C VAL A 41 -3.147 6.242 1.989 1.00 3.11 C ATOM 639 O VAL A 41 -3.166 7.137 1.139 1.00 20.33 O ATOM 640 CB VAL A 41 -4.812 4.360 1.811 1.00 5.10 C ATOM 641 CG1 VAL A 41 -5.763 5.273 1.037 1.00 31.40 C ATOM 642 CG2 VAL A 41 -5.034 2.898 1.427 1.00 42.12 C ATOM 0 H VAL A 41 -2.901 3.274 2.994 1.00 0.33 H new ATOM 0 HA VAL A 41 -3.082 4.667 0.527 1.00 40.45 H new ATOM 0 HB VAL A 41 -5.030 4.473 2.873 1.00 5.10 H new ATOM 0 HG11 VAL A 41 -6.792 4.962 1.217 1.00 31.40 H new ATOM 0 HG12 VAL A 41 -5.631 6.302 1.371 1.00 31.40 H new ATOM 0 HG13 VAL A 41 -5.545 5.206 -0.029 1.00 31.40 H new ATOM 0 HG21 VAL A 41 -6.078 2.632 1.595 1.00 42.12 H new ATOM 0 HG22 VAL A 41 -4.788 2.757 0.375 1.00 42.12 H new ATOM 0 HG23 VAL A 41 -4.395 2.260 2.038 1.00 42.12 H new ATOM 652 N ASN A 42 -2.950 6.488 3.285 1.00 33.42 N ATOM 653 CA ASN A 42 -2.889 7.864 3.809 1.00 70.14 C ATOM 654 C ASN A 42 -1.553 8.566 3.508 1.00 72.41 C ATOM 655 O ASN A 42 -1.504 9.798 3.414 1.00 43.13 O ATOM 656 CB ASN A 42 -3.164 7.886 5.323 1.00 60.42 C ATOM 657 CG ASN A 42 -4.615 7.573 5.667 1.00 32.42 C ATOM 658 OD1 ASN A 42 -5.172 8.129 6.606 1.00 74.32 O ATOM 659 ND2 ASN A 42 -5.238 6.681 4.924 1.00 53.52 N ATOM 0 H ASN A 42 -2.830 5.762 3.991 1.00 33.42 H new ATOM 0 HA ASN A 42 -3.668 8.421 3.289 1.00 70.14 H new ATOM 0 HB2 ASN A 42 -2.515 7.162 5.816 1.00 60.42 H new ATOM 0 HB3 ASN A 42 -2.905 8.868 5.720 1.00 60.42 H new ATOM 0 HD21 ASN A 42 -6.208 6.438 5.125 1.00 53.52 H new ATOM 0 HD22 ASN A 42 -4.750 6.233 4.148 1.00 53.52 H new ATOM 666 N LEU A 43 -0.474 7.799 3.364 1.00 32.40 N ATOM 667 CA LEU A 43 0.847 8.376 3.063 1.00 0.52 C ATOM 668 C LEU A 43 0.908 8.969 1.642 1.00 51.43 C ATOM 669 O LEU A 43 0.509 8.321 0.669 1.00 34.11 O ATOM 670 CB LEU A 43 1.960 7.326 3.235 1.00 41.24 C ATOM 671 CG LEU A 43 2.219 6.865 4.682 1.00 24.14 C ATOM 672 CD1 LEU A 43 3.365 5.855 4.731 1.00 23.52 C ATOM 673 CD2 LEU A 43 2.512 8.060 5.590 1.00 0.31 C ATOM 0 H LEU A 43 -0.481 6.783 3.449 1.00 32.40 H new ATOM 0 HA LEU A 43 1.005 9.186 3.775 1.00 0.52 H new ATOM 0 HB2 LEU A 43 1.708 6.453 2.634 1.00 41.24 H new ATOM 0 HB3 LEU A 43 2.886 7.734 2.831 1.00 41.24 H new ATOM 0 HG LEU A 43 1.317 6.375 5.048 1.00 24.14 H new ATOM 0 HD11 LEU A 43 3.531 5.543 5.762 1.00 23.52 H new ATOM 0 HD12 LEU A 43 3.110 4.986 4.125 1.00 23.52 H new ATOM 0 HD13 LEU A 43 4.273 6.315 4.341 1.00 23.52 H new ATOM 0 HD21 LEU A 43 2.692 7.709 6.606 1.00 0.31 H new ATOM 0 HD22 LEU A 43 3.395 8.586 5.226 1.00 0.31 H new ATOM 0 HD23 LEU A 43 1.659 8.738 5.586 1.00 0.31 H new ATOM 685 N PRO A 44 1.398 10.220 1.505 1.00 65.23 N ATOM 686 CA PRO A 44 1.569 10.870 0.189 1.00 34.00 C ATOM 687 C PRO A 44 2.677 10.219 -0.664 1.00 30.34 C ATOM 688 O PRO A 44 3.315 9.259 -0.239 1.00 65.32 O ATOM 689 CB PRO A 44 1.932 12.316 0.546 1.00 52.24 C ATOM 690 CG PRO A 44 2.507 12.243 1.922 1.00 34.23 C ATOM 691 CD PRO A 44 1.801 11.108 2.615 1.00 14.35 C ATOM 0 HA PRO A 44 0.670 10.783 -0.422 1.00 34.00 H new ATOM 0 HB2 PRO A 44 2.652 12.728 -0.161 1.00 52.24 H new ATOM 0 HB3 PRO A 44 1.054 12.961 0.519 1.00 52.24 H new ATOM 0 HG2 PRO A 44 3.582 12.068 1.885 1.00 34.23 H new ATOM 0 HG3 PRO A 44 2.355 13.180 2.457 1.00 34.23 H new ATOM 0 HD2 PRO A 44 2.458 10.597 3.319 1.00 14.35 H new ATOM 0 HD3 PRO A 44 0.938 11.459 3.181 1.00 14.35 H new ATOM 699 N VAL A 45 2.917 10.768 -1.862 1.00 32.42 N ATOM 700 CA VAL A 45 3.814 10.140 -2.848 1.00 42.45 C ATOM 701 C VAL A 45 5.228 9.824 -2.298 1.00 51.02 C ATOM 702 O VAL A 45 5.655 8.667 -2.322 1.00 41.54 O ATOM 703 CB VAL A 45 3.924 10.998 -4.144 1.00 55.33 C ATOM 704 CG1 VAL A 45 4.373 12.425 -3.832 1.00 23.43 C ATOM 705 CG2 VAL A 45 4.858 10.338 -5.163 1.00 1.35 C ATOM 0 H VAL A 45 2.503 11.646 -2.174 1.00 32.42 H new ATOM 0 HA VAL A 45 3.350 9.183 -3.086 1.00 42.45 H new ATOM 0 HB VAL A 45 2.930 11.055 -4.587 1.00 55.33 H new ATOM 0 HG11 VAL A 45 4.439 12.996 -4.758 1.00 23.43 H new ATOM 0 HG12 VAL A 45 3.650 12.896 -3.166 1.00 23.43 H new ATOM 0 HG13 VAL A 45 5.350 12.402 -3.349 1.00 23.43 H new ATOM 0 HG21 VAL A 45 4.916 10.958 -6.058 1.00 1.35 H new ATOM 0 HG22 VAL A 45 5.852 10.232 -4.730 1.00 1.35 H new ATOM 0 HG23 VAL A 45 4.471 9.354 -5.428 1.00 1.35 H new ATOM 715 N ASP A 46 5.947 10.832 -1.792 1.00 30.14 N ATOM 716 CA ASP A 46 7.328 10.633 -1.322 1.00 1.43 C ATOM 717 C ASP A 46 7.387 9.697 -0.104 1.00 11.54 C ATOM 718 O ASP A 46 8.172 8.747 -0.076 1.00 72.43 O ATOM 719 CB ASP A 46 7.985 11.979 -0.985 1.00 72.20 C ATOM 720 CG ASP A 46 8.156 12.861 -2.208 1.00 41.12 C ATOM 721 OD1 ASP A 46 7.201 13.573 -2.576 1.00 5.22 O ATOM 722 OD2 ASP A 46 9.250 12.848 -2.811 1.00 13.44 O ATOM 0 H ASP A 46 5.602 11.787 -1.697 1.00 30.14 H new ATOM 0 HA ASP A 46 7.881 10.161 -2.134 1.00 1.43 H new ATOM 0 HB2 ASP A 46 7.378 12.501 -0.245 1.00 72.20 H new ATOM 0 HB3 ASP A 46 8.959 11.801 -0.530 1.00 72.20 H new ATOM 727 N ASP A 47 6.549 9.965 0.899 1.00 53.15 N ATOM 728 CA ASP A 47 6.504 9.142 2.113 1.00 55.14 C ATOM 729 C ASP A 47 6.127 7.688 1.791 1.00 61.01 C ATOM 730 O ASP A 47 6.622 6.751 2.421 1.00 61.14 O ATOM 731 CB ASP A 47 5.515 9.745 3.114 1.00 11.22 C ATOM 732 CG ASP A 47 5.937 11.136 3.546 1.00 3.43 C ATOM 733 OD1 ASP A 47 5.705 12.093 2.780 1.00 22.22 O ATOM 734 OD2 ASP A 47 6.523 11.277 4.642 1.00 75.22 O ATOM 0 H ASP A 47 5.892 10.745 0.896 1.00 53.15 H new ATOM 0 HA ASP A 47 7.500 9.132 2.556 1.00 55.14 H new ATOM 0 HB2 ASP A 47 4.523 9.788 2.665 1.00 11.22 H new ATOM 0 HB3 ASP A 47 5.441 9.098 3.988 1.00 11.22 H new ATOM 739 N PHE A 48 5.258 7.512 0.799 1.00 61.33 N ATOM 740 CA PHE A 48 4.888 6.184 0.307 1.00 42.51 C ATOM 741 C PHE A 48 6.113 5.438 -0.256 1.00 44.55 C ATOM 742 O PHE A 48 6.372 4.285 0.098 1.00 10.12 O ATOM 743 CB PHE A 48 3.802 6.316 -0.772 1.00 75.34 C ATOM 744 CG PHE A 48 3.426 5.012 -1.428 1.00 74.53 C ATOM 745 CD1 PHE A 48 2.588 4.112 -0.788 1.00 32.32 C ATOM 746 CD2 PHE A 48 3.916 4.686 -2.687 1.00 34.42 C ATOM 747 CE1 PHE A 48 2.245 2.917 -1.388 1.00 40.34 C ATOM 748 CE2 PHE A 48 3.575 3.492 -3.289 1.00 71.32 C ATOM 749 CZ PHE A 48 2.739 2.606 -2.638 1.00 13.31 C ATOM 0 H PHE A 48 4.792 8.279 0.315 1.00 61.33 H new ATOM 0 HA PHE A 48 4.498 5.603 1.143 1.00 42.51 H new ATOM 0 HB2 PHE A 48 2.911 6.755 -0.324 1.00 75.34 H new ATOM 0 HB3 PHE A 48 4.148 7.010 -1.538 1.00 75.34 H new ATOM 0 HD1 PHE A 48 2.199 4.349 0.191 1.00 32.32 H new ATOM 0 HD2 PHE A 48 4.571 5.375 -3.200 1.00 34.42 H new ATOM 0 HE1 PHE A 48 1.590 2.226 -0.879 1.00 40.34 H new ATOM 0 HE2 PHE A 48 3.961 3.251 -4.268 1.00 71.32 H new ATOM 0 HZ PHE A 48 2.472 1.671 -3.107 1.00 13.31 H new ATOM 759 N ASN A 49 6.861 6.108 -1.135 1.00 63.30 N ATOM 760 CA ASN A 49 8.083 5.532 -1.709 1.00 61.13 C ATOM 761 C ASN A 49 9.104 5.197 -0.607 1.00 72.23 C ATOM 762 O ASN A 49 9.770 4.159 -0.653 1.00 32.24 O ATOM 763 CB ASN A 49 8.690 6.503 -2.728 1.00 31.44 C ATOM 764 CG ASN A 49 7.754 6.785 -3.892 1.00 74.44 C ATOM 765 OD1 ASN A 49 6.973 5.931 -4.301 1.00 12.41 O ATOM 766 ND2 ASN A 49 7.825 7.984 -4.437 1.00 53.52 N ATOM 0 H ASN A 49 6.644 7.048 -1.466 1.00 63.30 H new ATOM 0 HA ASN A 49 7.822 4.604 -2.217 1.00 61.13 H new ATOM 0 HB2 ASN A 49 8.937 7.440 -2.229 1.00 31.44 H new ATOM 0 HB3 ASN A 49 9.623 6.089 -3.109 1.00 31.44 H new ATOM 0 HD21 ASN A 49 7.220 8.224 -5.222 1.00 53.52 H new ATOM 0 HD22 ASN A 49 8.485 8.671 -4.073 1.00 53.52 H new ATOM 773 N GLU A 50 9.218 6.085 0.383 1.00 50.33 N ATOM 774 CA GLU A 50 10.055 5.835 1.562 1.00 72.23 C ATOM 775 C GLU A 50 9.625 4.555 2.285 1.00 35.10 C ATOM 776 O GLU A 50 10.452 3.698 2.589 1.00 33.25 O ATOM 777 CB GLU A 50 9.993 7.027 2.533 1.00 51.54 C ATOM 778 CG GLU A 50 10.801 8.241 2.083 1.00 13.14 C ATOM 779 CD GLU A 50 12.298 7.965 2.062 1.00 10.31 C ATOM 780 OE1 GLU A 50 12.924 7.974 3.146 1.00 31.52 O ATOM 781 OE2 GLU A 50 12.855 7.719 0.970 1.00 75.32 O ATOM 0 H GLU A 50 8.741 6.986 0.393 1.00 50.33 H new ATOM 0 HA GLU A 50 11.081 5.709 1.217 1.00 72.23 H new ATOM 0 HB2 GLU A 50 8.952 7.324 2.660 1.00 51.54 H new ATOM 0 HB3 GLU A 50 10.355 6.705 3.510 1.00 51.54 H new ATOM 0 HG2 GLU A 50 10.476 8.542 1.087 1.00 13.14 H new ATOM 0 HG3 GLU A 50 10.598 9.078 2.751 1.00 13.14 H new ATOM 788 N LEU A 51 8.324 4.427 2.540 1.00 1.14 N ATOM 789 CA LEU A 51 7.769 3.238 3.198 1.00 74.03 C ATOM 790 C LEU A 51 8.232 1.946 2.496 1.00 12.40 C ATOM 791 O LEU A 51 8.660 0.988 3.145 1.00 11.42 O ATOM 792 CB LEU A 51 6.235 3.319 3.199 1.00 41.32 C ATOM 793 CG LEU A 51 5.506 2.194 3.955 1.00 35.31 C ATOM 794 CD1 LEU A 51 5.834 2.237 5.444 1.00 43.20 C ATOM 795 CD2 LEU A 51 3.997 2.288 3.730 1.00 33.20 C ATOM 0 H LEU A 51 7.629 5.134 2.301 1.00 1.14 H new ATOM 0 HA LEU A 51 8.133 3.210 4.225 1.00 74.03 H new ATOM 0 HB2 LEU A 51 5.941 4.274 3.634 1.00 41.32 H new ATOM 0 HB3 LEU A 51 5.889 3.320 2.165 1.00 41.32 H new ATOM 0 HG LEU A 51 5.853 1.239 3.562 1.00 35.31 H new ATOM 0 HD11 LEU A 51 5.307 1.432 5.956 1.00 43.20 H new ATOM 0 HD12 LEU A 51 6.908 2.114 5.584 1.00 43.20 H new ATOM 0 HD13 LEU A 51 5.522 3.196 5.858 1.00 43.20 H new ATOM 0 HD21 LEU A 51 3.498 1.485 4.272 1.00 33.20 H new ATOM 0 HD22 LEU A 51 3.634 3.250 4.092 1.00 33.20 H new ATOM 0 HD23 LEU A 51 3.781 2.196 2.665 1.00 33.20 H new ATOM 807 N LEU A 52 8.158 1.935 1.167 1.00 15.22 N ATOM 808 CA LEU A 52 8.614 0.787 0.371 1.00 53.11 C ATOM 809 C LEU A 52 10.134 0.568 0.499 1.00 35.11 C ATOM 810 O LEU A 52 10.611 -0.567 0.519 1.00 34.03 O ATOM 811 CB LEU A 52 8.243 0.986 -1.106 1.00 72.11 C ATOM 812 CG LEU A 52 6.738 1.100 -1.401 1.00 44.54 C ATOM 813 CD1 LEU A 52 6.494 1.322 -2.893 1.00 43.42 C ATOM 814 CD2 LEU A 52 5.998 -0.142 -0.909 1.00 34.12 C ATOM 0 H LEU A 52 7.787 2.707 0.614 1.00 15.22 H new ATOM 0 HA LEU A 52 8.113 -0.100 0.760 1.00 53.11 H new ATOM 0 HB2 LEU A 52 8.736 1.888 -1.468 1.00 72.11 H new ATOM 0 HB3 LEU A 52 8.646 0.151 -1.679 1.00 72.11 H new ATOM 0 HG LEU A 52 6.349 1.964 -0.863 1.00 44.54 H new ATOM 0 HD11 LEU A 52 5.423 1.400 -3.079 1.00 43.42 H new ATOM 0 HD12 LEU A 52 6.985 2.243 -3.209 1.00 43.42 H new ATOM 0 HD13 LEU A 52 6.900 0.482 -3.457 1.00 43.42 H new ATOM 0 HD21 LEU A 52 4.935 -0.042 -1.127 1.00 34.12 H new ATOM 0 HD22 LEU A 52 6.391 -1.024 -1.415 1.00 34.12 H new ATOM 0 HD23 LEU A 52 6.140 -0.248 0.167 1.00 34.12 H new ATOM 826 N ALA A 53 10.885 1.661 0.584 1.00 41.23 N ATOM 827 CA ALA A 53 12.351 1.595 0.664 1.00 14.33 C ATOM 828 C ALA A 53 12.850 1.277 2.084 1.00 22.11 C ATOM 829 O ALA A 53 13.987 0.837 2.266 1.00 22.31 O ATOM 830 CB ALA A 53 12.954 2.908 0.174 1.00 25.10 C ATOM 0 H ALA A 53 10.507 2.608 0.600 1.00 41.23 H new ATOM 0 HA ALA A 53 12.677 0.776 0.022 1.00 14.33 H new ATOM 0 HB1 ALA A 53 14.041 2.854 0.235 1.00 25.10 H new ATOM 0 HB2 ALA A 53 12.657 3.081 -0.860 1.00 25.10 H new ATOM 0 HB3 ALA A 53 12.596 3.728 0.797 1.00 25.10 H new ATOM 836 N ARG A 54 12.001 1.499 3.084 1.00 11.14 N ATOM 837 CA ARG A 54 12.391 1.318 4.491 1.00 75.11 C ATOM 838 C ARG A 54 12.029 -0.077 5.033 1.00 55.21 C ATOM 839 O ARG A 54 12.237 -0.362 6.214 1.00 11.21 O ATOM 840 CB ARG A 54 11.743 2.413 5.350 1.00 71.45 C ATOM 841 CG ARG A 54 12.240 3.815 5.006 1.00 63.23 C ATOM 842 CD ARG A 54 11.522 4.892 5.808 1.00 15.42 C ATOM 843 NE ARG A 54 11.992 6.234 5.461 1.00 72.32 N ATOM 844 CZ ARG A 54 12.079 7.223 6.306 1.00 30.02 C ATOM 845 NH1 ARG A 54 11.795 7.046 7.555 1.00 41.41 N ATOM 846 NH2 ARG A 54 12.470 8.385 5.895 1.00 13.24 N ATOM 0 H ARG A 54 11.037 1.805 2.952 1.00 11.14 H new ATOM 0 HA ARG A 54 13.477 1.400 4.544 1.00 75.11 H new ATOM 0 HB2 ARG A 54 10.661 2.375 5.221 1.00 71.45 H new ATOM 0 HB3 ARG A 54 11.946 2.210 6.401 1.00 71.45 H new ATOM 0 HG2 ARG A 54 13.311 3.876 5.197 1.00 63.23 H new ATOM 0 HG3 ARG A 54 12.095 3.999 3.942 1.00 63.23 H new ATOM 0 HD2 ARG A 54 10.449 4.825 5.627 1.00 15.42 H new ATOM 0 HD3 ARG A 54 11.678 4.717 6.872 1.00 15.42 H new ATOM 0 HE ARG A 54 12.270 6.407 4.495 1.00 72.32 H new ATOM 0 HH11 ARG A 54 11.500 6.127 7.886 1.00 41.41 H new ATOM 0 HH12 ARG A 54 11.866 7.825 8.209 1.00 41.41 H new ATOM 0 HH21 ARG A 54 12.709 8.525 4.913 1.00 13.24 H new ATOM 0 HH22 ARG A 54 12.540 9.162 6.553 1.00 13.24 H new ATOM 860 N TYR A 55 11.493 -0.945 4.178 1.00 63.41 N ATOM 861 CA TYR A 55 11.153 -2.317 4.580 1.00 33.41 C ATOM 862 C TYR A 55 11.669 -3.353 3.568 1.00 64.30 C ATOM 863 O TYR A 55 11.769 -3.074 2.373 1.00 62.14 O ATOM 864 CB TYR A 55 9.634 -2.467 4.747 1.00 41.42 C ATOM 865 CG TYR A 55 9.088 -1.803 5.999 1.00 43.13 C ATOM 866 CD1 TYR A 55 9.041 -2.493 7.208 1.00 24.50 C ATOM 867 CD2 TYR A 55 8.626 -0.491 5.977 1.00 15.32 C ATOM 868 CE1 TYR A 55 8.547 -1.896 8.353 1.00 63.12 C ATOM 869 CE2 TYR A 55 8.132 0.110 7.118 1.00 23.03 C ATOM 870 CZ TYR A 55 8.095 -0.595 8.302 1.00 43.45 C ATOM 871 OH TYR A 55 7.598 0.003 9.441 1.00 31.41 O ATOM 0 H TYR A 55 11.283 -0.728 3.204 1.00 63.41 H new ATOM 0 HA TYR A 55 11.643 -2.505 5.535 1.00 33.41 H new ATOM 0 HB2 TYR A 55 9.138 -2.041 3.875 1.00 41.42 H new ATOM 0 HB3 TYR A 55 9.383 -3.527 4.770 1.00 41.42 H new ATOM 0 HD1 TYR A 55 9.397 -3.512 7.252 1.00 24.50 H new ATOM 0 HD2 TYR A 55 8.654 0.067 5.053 1.00 15.32 H new ATOM 0 HE1 TYR A 55 8.515 -2.446 9.282 1.00 63.12 H new ATOM 0 HE2 TYR A 55 7.776 1.129 7.083 1.00 23.03 H new ATOM 0 HH TYR A 55 7.323 0.921 9.235 1.00 31.41 H new ATOM 881 N PRO A 56 12.022 -4.568 4.037 1.00 11.35 N ATOM 882 CA PRO A 56 12.444 -5.663 3.148 1.00 21.12 C ATOM 883 C PRO A 56 11.261 -6.281 2.380 1.00 62.44 C ATOM 884 O PRO A 56 10.656 -7.270 2.815 1.00 0.14 O ATOM 885 CB PRO A 56 13.084 -6.673 4.114 1.00 11.11 C ATOM 886 CG PRO A 56 12.382 -6.445 5.411 1.00 13.23 C ATOM 887 CD PRO A 56 12.055 -4.970 5.461 1.00 40.12 C ATOM 0 HA PRO A 56 13.125 -5.328 2.366 1.00 21.12 H new ATOM 0 HB2 PRO A 56 12.950 -7.697 3.764 1.00 11.11 H new ATOM 0 HB3 PRO A 56 14.157 -6.507 4.209 1.00 11.11 H new ATOM 0 HG2 PRO A 56 11.475 -7.047 5.474 1.00 13.23 H new ATOM 0 HG3 PRO A 56 13.014 -6.732 6.251 1.00 13.23 H new ATOM 0 HD2 PRO A 56 11.098 -4.789 5.950 1.00 40.12 H new ATOM 0 HD3 PRO A 56 12.808 -4.412 6.017 1.00 40.12 H new ATOM 895 N LEU A 57 10.921 -5.676 1.245 1.00 3.34 N ATOM 896 CA LEU A 57 9.797 -6.135 0.422 1.00 72.00 C ATOM 897 C LEU A 57 10.266 -6.601 -0.963 1.00 64.43 C ATOM 898 O LEU A 57 11.028 -5.905 -1.636 1.00 74.14 O ATOM 899 CB LEU A 57 8.764 -5.011 0.251 1.00 61.21 C ATOM 900 CG LEU A 57 8.212 -4.414 1.555 1.00 33.40 C ATOM 901 CD1 LEU A 57 7.236 -3.282 1.251 1.00 23.15 C ATOM 902 CD2 LEU A 57 7.544 -5.494 2.406 1.00 52.11 C ATOM 0 H LEU A 57 11.408 -4.862 0.870 1.00 3.34 H new ATOM 0 HA LEU A 57 9.341 -6.980 0.938 1.00 72.00 H new ATOM 0 HB2 LEU A 57 9.219 -4.209 -0.331 1.00 61.21 H new ATOM 0 HB3 LEU A 57 7.929 -5.395 -0.334 1.00 61.21 H new ATOM 0 HG LEU A 57 9.046 -4.004 2.125 1.00 33.40 H new ATOM 0 HD11 LEU A 57 6.854 -2.870 2.185 1.00 23.15 H new ATOM 0 HD12 LEU A 57 7.749 -2.499 0.692 1.00 23.15 H new ATOM 0 HD13 LEU A 57 6.406 -3.666 0.658 1.00 23.15 H new ATOM 0 HD21 LEU A 57 7.161 -5.049 3.324 1.00 52.11 H new ATOM 0 HD22 LEU A 57 6.721 -5.940 1.848 1.00 52.11 H new ATOM 0 HD23 LEU A 57 8.274 -6.265 2.654 1.00 52.11 H new ATOM 914 N THR A 58 9.813 -7.780 -1.376 1.00 13.35 N ATOM 915 CA THR A 58 10.091 -8.293 -2.722 1.00 2.31 C ATOM 916 C THR A 58 9.358 -7.470 -3.793 1.00 4.15 C ATOM 917 O THR A 58 8.328 -6.852 -3.522 1.00 74.12 O ATOM 918 CB THR A 58 9.684 -9.781 -2.866 1.00 65.45 C ATOM 919 OG1 THR A 58 8.270 -9.933 -2.680 1.00 62.10 O ATOM 920 CG2 THR A 58 10.428 -10.652 -1.856 1.00 4.14 C ATOM 0 H THR A 58 9.249 -8.404 -0.799 1.00 13.35 H new ATOM 0 HA THR A 58 11.167 -8.206 -2.870 1.00 2.31 H new ATOM 0 HB THR A 58 9.953 -10.104 -3.872 1.00 65.45 H new ATOM 0 HG1 THR A 58 8.053 -9.840 -1.729 1.00 62.10 H new ATOM 0 HG21 THR A 58 10.124 -11.692 -1.978 1.00 4.14 H new ATOM 0 HG22 THR A 58 11.502 -10.566 -2.023 1.00 4.14 H new ATOM 0 HG23 THR A 58 10.190 -10.321 -0.845 1.00 4.14 H new ATOM 928 N GLU A 59 9.885 -7.489 -5.012 1.00 12.11 N ATOM 929 CA GLU A 59 9.380 -6.662 -6.122 1.00 4.54 C ATOM 930 C GLU A 59 7.844 -6.722 -6.263 1.00 72.41 C ATOM 931 O GLU A 59 7.186 -5.691 -6.436 1.00 45.25 O ATOM 932 CB GLU A 59 10.061 -7.113 -7.419 1.00 53.43 C ATOM 933 CG GLU A 59 11.587 -7.091 -7.327 1.00 40.12 C ATOM 934 CD GLU A 59 12.270 -7.785 -8.492 1.00 62.23 C ATOM 935 OE1 GLU A 59 12.431 -9.025 -8.436 1.00 51.02 O ATOM 936 OE2 GLU A 59 12.673 -7.096 -9.451 1.00 11.14 O ATOM 0 H GLU A 59 10.678 -8.078 -5.268 1.00 12.11 H new ATOM 0 HA GLU A 59 9.622 -5.621 -5.908 1.00 4.54 H new ATOM 0 HB2 GLU A 59 9.731 -8.122 -7.665 1.00 53.43 H new ATOM 0 HB3 GLU A 59 9.742 -6.465 -8.236 1.00 53.43 H new ATOM 0 HG2 GLU A 59 11.926 -6.056 -7.280 1.00 40.12 H new ATOM 0 HG3 GLU A 59 11.895 -7.569 -6.397 1.00 40.12 H new ATOM 943 N SER A 60 7.275 -7.925 -6.171 1.00 65.24 N ATOM 944 CA SER A 60 5.816 -8.107 -6.271 1.00 35.12 C ATOM 945 C SER A 60 5.079 -7.439 -5.102 1.00 4.12 C ATOM 946 O SER A 60 3.978 -6.905 -5.266 1.00 2.40 O ATOM 947 CB SER A 60 5.456 -9.601 -6.324 1.00 35.34 C ATOM 948 OG SER A 60 4.054 -9.791 -6.465 1.00 31.41 O ATOM 0 H SER A 60 7.797 -8.790 -6.028 1.00 65.24 H new ATOM 0 HA SER A 60 5.495 -7.627 -7.196 1.00 35.12 H new ATOM 0 HB2 SER A 60 5.975 -10.073 -7.159 1.00 35.34 H new ATOM 0 HB3 SER A 60 5.802 -10.093 -5.415 1.00 35.34 H new ATOM 0 HG SER A 60 3.855 -10.750 -6.497 1.00 31.41 H new ATOM 954 N GLN A 61 5.702 -7.450 -3.922 1.00 63.01 N ATOM 955 CA GLN A 61 5.111 -6.826 -2.731 1.00 44.51 C ATOM 956 C GLN A 61 4.919 -5.316 -2.927 1.00 1.32 C ATOM 957 O GLN A 61 3.865 -4.773 -2.603 1.00 33.11 O ATOM 958 CB GLN A 61 5.974 -7.096 -1.490 1.00 35.22 C ATOM 959 CG GLN A 61 5.925 -8.542 -1.005 1.00 1.44 C ATOM 960 CD GLN A 61 6.796 -8.781 0.217 1.00 75.14 C ATOM 961 OE1 GLN A 61 7.955 -9.162 0.109 1.00 71.22 O ATOM 962 NE2 GLN A 61 6.245 -8.557 1.388 1.00 53.23 N ATOM 0 H GLN A 61 6.612 -7.882 -3.763 1.00 63.01 H new ATOM 0 HA GLN A 61 4.129 -7.274 -2.578 1.00 44.51 H new ATOM 0 HB2 GLN A 61 7.008 -6.833 -1.714 1.00 35.22 H new ATOM 0 HB3 GLN A 61 5.647 -6.441 -0.683 1.00 35.22 H new ATOM 0 HG2 GLN A 61 4.894 -8.807 -0.769 1.00 1.44 H new ATOM 0 HG3 GLN A 61 6.247 -9.202 -1.810 1.00 1.44 H new ATOM 0 HE21 GLN A 61 5.277 -8.240 1.444 1.00 53.23 H new ATOM 0 HE22 GLN A 61 6.785 -8.700 2.241 1.00 53.23 H new ATOM 971 N LEU A 62 5.937 -4.638 -3.471 1.00 31.23 N ATOM 972 CA LEU A 62 5.826 -3.201 -3.763 1.00 22.02 C ATOM 973 C LEU A 62 4.676 -2.937 -4.749 1.00 1.42 C ATOM 974 O LEU A 62 3.880 -2.017 -4.559 1.00 52.52 O ATOM 975 CB LEU A 62 7.144 -2.627 -4.329 1.00 71.32 C ATOM 976 CG LEU A 62 8.336 -2.563 -3.348 1.00 55.11 C ATOM 977 CD1 LEU A 62 8.949 -3.938 -3.118 1.00 20.13 C ATOM 978 CD2 LEU A 62 9.393 -1.582 -3.850 1.00 32.44 C ATOM 0 H LEU A 62 6.836 -5.053 -3.716 1.00 31.23 H new ATOM 0 HA LEU A 62 5.616 -2.695 -2.821 1.00 22.02 H new ATOM 0 HB2 LEU A 62 7.439 -3.229 -5.188 1.00 71.32 H new ATOM 0 HB3 LEU A 62 6.949 -1.620 -4.698 1.00 71.32 H new ATOM 0 HG LEU A 62 7.955 -2.207 -2.391 1.00 55.11 H new ATOM 0 HD11 LEU A 62 9.784 -3.852 -2.423 1.00 20.13 H new ATOM 0 HD12 LEU A 62 8.196 -4.607 -2.700 1.00 20.13 H new ATOM 0 HD13 LEU A 62 9.306 -4.340 -4.066 1.00 20.13 H new ATOM 0 HD21 LEU A 62 10.224 -1.551 -3.146 1.00 32.44 H new ATOM 0 HD22 LEU A 62 9.756 -1.906 -4.826 1.00 32.44 H new ATOM 0 HD23 LEU A 62 8.954 -0.588 -3.938 1.00 32.44 H new ATOM 990 N ALA A 63 4.594 -3.762 -5.796 1.00 74.43 N ATOM 991 CA ALA A 63 3.512 -3.665 -6.785 1.00 51.35 C ATOM 992 C ALA A 63 2.127 -3.798 -6.129 1.00 61.22 C ATOM 993 O ALA A 63 1.171 -3.127 -6.523 1.00 23.23 O ATOM 994 CB ALA A 63 3.684 -4.732 -7.862 1.00 61.53 C ATOM 0 H ALA A 63 5.265 -4.507 -5.983 1.00 74.43 H new ATOM 0 HA ALA A 63 3.571 -2.677 -7.242 1.00 51.35 H new ATOM 0 HB1 ALA A 63 2.876 -4.649 -8.589 1.00 61.53 H new ATOM 0 HB2 ALA A 63 4.640 -4.590 -8.365 1.00 61.53 H new ATOM 0 HB3 ALA A 63 3.659 -5.720 -7.403 1.00 61.53 H new ATOM 1000 N LEU A 64 2.031 -4.680 -5.136 1.00 34.52 N ATOM 1001 CA LEU A 64 0.792 -4.860 -4.377 1.00 4.31 C ATOM 1002 C LEU A 64 0.458 -3.601 -3.563 1.00 71.30 C ATOM 1003 O LEU A 64 -0.641 -3.057 -3.665 1.00 42.55 O ATOM 1004 CB LEU A 64 0.918 -6.065 -3.436 1.00 52.42 C ATOM 1005 CG LEU A 64 -0.296 -6.311 -2.527 1.00 31.43 C ATOM 1006 CD1 LEU A 64 -1.540 -6.630 -3.358 1.00 64.02 C ATOM 1007 CD2 LEU A 64 -0.003 -7.427 -1.528 1.00 4.20 C ATOM 0 H LEU A 64 2.797 -5.283 -4.837 1.00 34.52 H new ATOM 0 HA LEU A 64 -0.016 -5.038 -5.087 1.00 4.31 H new ATOM 0 HB2 LEU A 64 1.090 -6.959 -4.036 1.00 52.42 H new ATOM 0 HB3 LEU A 64 1.799 -5.927 -2.810 1.00 52.42 H new ATOM 0 HG LEU A 64 -0.494 -5.398 -1.965 1.00 31.43 H new ATOM 0 HD11 LEU A 64 -2.387 -6.801 -2.694 1.00 64.02 H new ATOM 0 HD12 LEU A 64 -1.760 -5.792 -4.019 1.00 64.02 H new ATOM 0 HD13 LEU A 64 -1.360 -7.525 -3.954 1.00 64.02 H new ATOM 0 HD21 LEU A 64 -0.875 -7.586 -0.894 1.00 4.20 H new ATOM 0 HD22 LEU A 64 0.226 -8.347 -2.067 1.00 4.20 H new ATOM 0 HD23 LEU A 64 0.850 -7.147 -0.909 1.00 4.20 H new ATOM 1019 N VAL A 65 1.422 -3.144 -2.763 1.00 4.14 N ATOM 1020 CA VAL A 65 1.243 -1.959 -1.912 1.00 61.42 C ATOM 1021 C VAL A 65 0.762 -0.736 -2.719 1.00 3.41 C ATOM 1022 O VAL A 65 -0.073 0.044 -2.252 1.00 31.01 O ATOM 1023 CB VAL A 65 2.561 -1.608 -1.169 1.00 62.14 C ATOM 1024 CG1 VAL A 65 2.394 -0.371 -0.293 1.00 1.13 C ATOM 1025 CG2 VAL A 65 3.036 -2.793 -0.332 1.00 24.55 C ATOM 0 H VAL A 65 2.342 -3.577 -2.684 1.00 4.14 H new ATOM 0 HA VAL A 65 0.473 -2.208 -1.182 1.00 61.42 H new ATOM 0 HB VAL A 65 3.317 -1.385 -1.922 1.00 62.14 H new ATOM 0 HG11 VAL A 65 3.335 -0.153 0.212 1.00 1.13 H new ATOM 0 HG12 VAL A 65 2.111 0.479 -0.914 1.00 1.13 H new ATOM 0 HG13 VAL A 65 1.617 -0.553 0.449 1.00 1.13 H new ATOM 0 HG21 VAL A 65 3.961 -2.529 0.181 1.00 24.55 H new ATOM 0 HG22 VAL A 65 2.273 -3.048 0.403 1.00 24.55 H new ATOM 0 HG23 VAL A 65 3.214 -3.650 -0.982 1.00 24.55 H new ATOM 1035 N ARG A 66 1.277 -0.587 -3.937 1.00 1.13 N ATOM 1036 CA ARG A 66 0.863 0.508 -4.824 1.00 75.13 C ATOM 1037 C ARG A 66 -0.625 0.391 -5.203 1.00 64.42 C ATOM 1038 O ARG A 66 -1.345 1.393 -5.262 1.00 4.43 O ATOM 1039 CB ARG A 66 1.739 0.532 -6.086 1.00 32.31 C ATOM 1040 CG ARG A 66 3.229 0.701 -5.790 1.00 23.24 C ATOM 1041 CD ARG A 66 4.079 0.729 -7.057 1.00 22.11 C ATOM 1042 NE ARG A 66 3.797 1.905 -7.881 1.00 52.21 N ATOM 1043 CZ ARG A 66 4.701 2.767 -8.263 1.00 0.24 C ATOM 1044 NH1 ARG A 66 5.948 2.594 -7.956 1.00 51.11 N ATOM 1045 NH2 ARG A 66 4.353 3.788 -8.978 1.00 41.15 N ATOM 0 H ARG A 66 1.981 -1.208 -4.336 1.00 1.13 H new ATOM 0 HA ARG A 66 0.996 1.446 -4.285 1.00 75.13 H new ATOM 0 HB2 ARG A 66 1.589 -0.395 -6.640 1.00 32.31 H new ATOM 0 HB3 ARG A 66 1.410 1.346 -6.732 1.00 32.31 H new ATOM 0 HG2 ARG A 66 3.383 1.625 -5.233 1.00 23.24 H new ATOM 0 HG3 ARG A 66 3.564 -0.116 -5.150 1.00 23.24 H new ATOM 0 HD2 ARG A 66 5.135 0.721 -6.785 1.00 22.11 H new ATOM 0 HD3 ARG A 66 3.893 -0.174 -7.638 1.00 22.11 H new ATOM 0 HE ARG A 66 2.833 2.062 -8.176 1.00 52.21 H new ATOM 0 HH11 ARG A 66 6.231 1.779 -7.412 1.00 51.11 H new ATOM 0 HH12 ARG A 66 6.647 3.273 -8.259 1.00 51.11 H new ATOM 0 HH21 ARG A 66 3.376 3.917 -9.241 1.00 41.15 H new ATOM 0 HH22 ARG A 66 5.056 4.464 -9.278 1.00 41.15 H new ATOM 1059 N ASP A 67 -1.081 -0.837 -5.452 1.00 54.41 N ATOM 1060 CA ASP A 67 -2.496 -1.099 -5.746 1.00 53.43 C ATOM 1061 C ASP A 67 -3.365 -0.838 -4.505 1.00 74.31 C ATOM 1062 O ASP A 67 -4.414 -0.208 -4.597 1.00 11.05 O ATOM 1063 CB ASP A 67 -2.673 -2.543 -6.243 1.00 44.11 C ATOM 1064 CG ASP A 67 -4.123 -2.903 -6.551 1.00 5.02 C ATOM 1065 OD1 ASP A 67 -4.757 -2.214 -7.375 1.00 41.14 O ATOM 1066 OD2 ASP A 67 -4.635 -3.896 -5.985 1.00 3.11 O ATOM 0 H ASP A 67 -0.492 -1.670 -5.457 1.00 54.41 H new ATOM 0 HA ASP A 67 -2.822 -0.419 -6.533 1.00 53.43 H new ATOM 0 HB2 ASP A 67 -2.072 -2.687 -7.141 1.00 44.11 H new ATOM 0 HB3 ASP A 67 -2.288 -3.229 -5.488 1.00 44.11 H new ATOM 1071 N ILE A 68 -2.907 -1.304 -3.343 1.00 63.23 N ATOM 1072 CA ILE A 68 -3.620 -1.074 -2.079 1.00 15.23 C ATOM 1073 C ILE A 68 -3.876 0.426 -1.840 1.00 24.43 C ATOM 1074 O ILE A 68 -4.967 0.827 -1.428 1.00 2.21 O ATOM 1075 CB ILE A 68 -2.835 -1.662 -0.876 1.00 33.34 C ATOM 1076 CG1 ILE A 68 -2.650 -3.181 -1.048 1.00 35.40 C ATOM 1077 CG2 ILE A 68 -3.546 -1.353 0.443 1.00 22.13 C ATOM 1078 CD1 ILE A 68 -1.870 -3.837 0.076 1.00 25.31 C ATOM 0 H ILE A 68 -2.046 -1.843 -3.247 1.00 63.23 H new ATOM 0 HA ILE A 68 -4.580 -1.584 -2.160 1.00 15.23 H new ATOM 0 HB ILE A 68 -1.852 -1.193 -0.848 1.00 33.34 H new ATOM 0 HG12 ILE A 68 -3.631 -3.651 -1.119 1.00 35.40 H new ATOM 0 HG13 ILE A 68 -2.137 -3.370 -1.991 1.00 35.40 H new ATOM 0 HG21 ILE A 68 -2.977 -1.775 1.271 1.00 22.13 H new ATOM 0 HG22 ILE A 68 -3.624 -0.273 0.570 1.00 22.13 H new ATOM 0 HG23 ILE A 68 -4.544 -1.790 0.429 1.00 22.13 H new ATOM 0 HD11 ILE A 68 -1.782 -4.906 -0.118 1.00 25.31 H new ATOM 0 HD12 ILE A 68 -0.875 -3.396 0.134 1.00 25.31 H new ATOM 0 HD13 ILE A 68 -2.392 -3.681 1.020 1.00 25.31 H new ATOM 1090 N ARG A 69 -2.866 1.253 -2.118 1.00 63.14 N ATOM 1091 CA ARG A 69 -3.000 2.706 -1.972 1.00 3.22 C ATOM 1092 C ARG A 69 -4.083 3.271 -2.910 1.00 63.42 C ATOM 1093 O ARG A 69 -4.969 4.012 -2.477 1.00 41.41 O ATOM 1094 CB ARG A 69 -1.664 3.413 -2.245 1.00 21.22 C ATOM 1095 CG ARG A 69 -1.702 4.916 -1.960 1.00 72.00 C ATOM 1096 CD ARG A 69 -0.390 5.608 -2.316 1.00 21.45 C ATOM 1097 NE ARG A 69 -0.113 5.569 -3.752 1.00 51.32 N ATOM 1098 CZ ARG A 69 0.898 6.172 -4.321 1.00 52.04 C ATOM 1099 NH1 ARG A 69 1.729 6.879 -3.621 1.00 13.13 N ATOM 1100 NH2 ARG A 69 1.066 6.070 -5.601 1.00 63.12 N ATOM 0 H ARG A 69 -1.950 0.945 -2.444 1.00 63.14 H new ATOM 0 HA ARG A 69 -3.300 2.896 -0.942 1.00 3.22 H new ATOM 0 HB2 ARG A 69 -0.887 2.954 -1.633 1.00 21.22 H new ATOM 0 HB3 ARG A 69 -1.384 3.255 -3.287 1.00 21.22 H new ATOM 0 HG2 ARG A 69 -2.515 5.370 -2.527 1.00 72.00 H new ATOM 0 HG3 ARG A 69 -1.920 5.078 -0.904 1.00 72.00 H new ATOM 0 HD2 ARG A 69 -0.427 6.645 -1.984 1.00 21.45 H new ATOM 0 HD3 ARG A 69 0.428 5.130 -1.777 1.00 21.45 H new ATOM 0 HE ARG A 69 -0.749 5.038 -4.347 1.00 51.32 H new ATOM 0 HH11 ARG A 69 1.598 6.970 -2.614 1.00 13.13 H new ATOM 0 HH12 ARG A 69 2.514 7.344 -4.078 1.00 13.13 H new ATOM 0 HH21 ARG A 69 0.412 5.522 -6.159 1.00 63.12 H new ATOM 0 HH22 ARG A 69 1.853 6.538 -6.051 1.00 63.12 H new ATOM 1114 N ARG A 70 -4.014 2.914 -4.195 1.00 51.35 N ATOM 1115 CA ARG A 70 -4.972 3.422 -5.185 1.00 71.20 C ATOM 1116 C ARG A 70 -6.379 2.837 -4.966 1.00 63.43 C ATOM 1117 O ARG A 70 -7.379 3.471 -5.304 1.00 52.31 O ATOM 1118 CB ARG A 70 -4.486 3.132 -6.619 1.00 40.31 C ATOM 1119 CG ARG A 70 -4.439 1.655 -6.983 1.00 60.11 C ATOM 1120 CD ARG A 70 -3.960 1.429 -8.414 1.00 21.20 C ATOM 1121 NE ARG A 70 -4.002 0.018 -8.774 1.00 41.31 N ATOM 1122 CZ ARG A 70 -3.277 -0.540 -9.703 1.00 3.42 C ATOM 1123 NH1 ARG A 70 -2.456 0.160 -10.419 1.00 54.25 N ATOM 1124 NH2 ARG A 70 -3.393 -1.808 -9.912 1.00 61.11 N ATOM 0 H ARG A 70 -3.311 2.280 -4.574 1.00 51.35 H new ATOM 0 HA ARG A 70 -5.035 4.502 -5.051 1.00 71.20 H new ATOM 0 HB2 ARG A 70 -5.142 3.646 -7.322 1.00 40.31 H new ATOM 0 HB3 ARG A 70 -3.490 3.556 -6.744 1.00 40.31 H new ATOM 0 HG2 ARG A 70 -3.776 1.133 -6.293 1.00 60.11 H new ATOM 0 HG3 ARG A 70 -5.431 1.221 -6.861 1.00 60.11 H new ATOM 0 HD2 ARG A 70 -4.584 2.000 -9.102 1.00 21.20 H new ATOM 0 HD3 ARG A 70 -2.942 1.803 -8.521 1.00 21.20 H new ATOM 0 HE ARG A 70 -4.649 -0.580 -8.259 1.00 41.31 H new ATOM 0 HH11 ARG A 70 -2.369 1.164 -10.260 1.00 54.25 H new ATOM 0 HH12 ARG A 70 -1.896 -0.292 -11.142 1.00 54.25 H new ATOM 0 HH21 ARG A 70 -4.045 -2.359 -9.354 1.00 61.11 H new ATOM 0 HH22 ARG A 70 -2.833 -2.259 -10.635 1.00 61.11 H new ATOM 1138 N ARG A 71 -6.451 1.629 -4.404 1.00 30.20 N ATOM 1139 CA ARG A 71 -7.736 1.004 -4.062 1.00 61.41 C ATOM 1140 C ARG A 71 -8.418 1.742 -2.903 1.00 22.31 C ATOM 1141 O ARG A 71 -9.591 2.106 -2.990 1.00 71.02 O ATOM 1142 CB ARG A 71 -7.542 -0.481 -3.706 1.00 44.20 C ATOM 1143 CG ARG A 71 -7.213 -1.375 -4.902 1.00 42.33 C ATOM 1144 CD ARG A 71 -8.359 -1.409 -5.909 1.00 53.23 C ATOM 1145 NE ARG A 71 -8.068 -2.262 -7.063 1.00 52.35 N ATOM 1146 CZ ARG A 71 -8.989 -2.787 -7.833 1.00 44.33 C ATOM 1147 NH1 ARG A 71 -10.247 -2.615 -7.569 1.00 31.45 N ATOM 1148 NH2 ARG A 71 -8.646 -3.496 -8.858 1.00 1.13 N ATOM 0 H ARG A 71 -5.635 1.061 -4.175 1.00 30.20 H new ATOM 0 HA ARG A 71 -8.382 1.072 -4.938 1.00 61.41 H new ATOM 0 HB2 ARG A 71 -6.740 -0.565 -2.972 1.00 44.20 H new ATOM 0 HB3 ARG A 71 -8.450 -0.850 -3.230 1.00 44.20 H new ATOM 0 HG2 ARG A 71 -6.309 -1.012 -5.391 1.00 42.33 H new ATOM 0 HG3 ARG A 71 -7.003 -2.386 -4.554 1.00 42.33 H new ATOM 0 HD2 ARG A 71 -9.262 -1.768 -5.415 1.00 53.23 H new ATOM 0 HD3 ARG A 71 -8.566 -0.396 -6.253 1.00 53.23 H new ATOM 0 HE ARG A 71 -7.091 -2.459 -7.280 1.00 52.35 H new ATOM 0 HH11 ARG A 71 -10.527 -2.067 -6.756 1.00 31.45 H new ATOM 0 HH12 ARG A 71 -10.956 -3.028 -8.175 1.00 31.45 H new ATOM 0 HH21 ARG A 71 -7.659 -3.646 -9.067 1.00 1.13 H new ATOM 0 HH22 ARG A 71 -9.362 -3.905 -9.458 1.00 1.13 H new ATOM 1162 N GLY A 72 -7.677 1.962 -1.821 1.00 43.01 N ATOM 1163 CA GLY A 72 -8.196 2.737 -0.702 1.00 2.40 C ATOM 1164 C GLY A 72 -8.556 4.167 -1.093 1.00 4.45 C ATOM 1165 O GLY A 72 -9.626 4.671 -0.740 1.00 22.15 O ATOM 0 H GLY A 72 -6.725 1.618 -1.697 1.00 43.01 H new ATOM 0 HA2 GLY A 72 -9.080 2.241 -0.301 1.00 2.40 H new ATOM 0 HA3 GLY A 72 -7.453 2.759 0.095 1.00 2.40 H new ATOM 1169 N LYS A 73 -7.657 4.821 -1.834 1.00 71.31 N ATOM 1170 CA LYS A 73 -7.881 6.190 -2.313 1.00 21.45 C ATOM 1171 C LYS A 73 -9.052 6.262 -3.306 1.00 34.12 C ATOM 1172 O LYS A 73 -9.711 7.294 -3.417 1.00 22.35 O ATOM 1173 CB LYS A 73 -6.598 6.751 -2.957 1.00 42.42 C ATOM 1174 CG LYS A 73 -6.782 8.115 -3.628 1.00 65.42 C ATOM 1175 CD LYS A 73 -5.458 8.712 -4.100 1.00 14.00 C ATOM 1176 CE LYS A 73 -4.575 9.142 -2.933 1.00 54.41 C ATOM 1177 NZ LYS A 73 -5.237 10.171 -2.087 1.00 12.21 N ATOM 0 H LYS A 73 -6.762 4.422 -2.117 1.00 71.31 H new ATOM 0 HA LYS A 73 -8.142 6.801 -1.449 1.00 21.45 H new ATOM 0 HB2 LYS A 73 -5.827 6.835 -2.191 1.00 42.42 H new ATOM 0 HB3 LYS A 73 -6.235 6.039 -3.698 1.00 42.42 H new ATOM 0 HG2 LYS A 73 -7.455 8.011 -4.479 1.00 65.42 H new ATOM 0 HG3 LYS A 73 -7.258 8.801 -2.927 1.00 65.42 H new ATOM 0 HD2 LYS A 73 -4.926 7.979 -4.706 1.00 14.00 H new ATOM 0 HD3 LYS A 73 -5.656 9.572 -4.740 1.00 14.00 H new ATOM 0 HE2 LYS A 73 -4.331 8.272 -2.323 1.00 54.41 H new ATOM 0 HE3 LYS A 73 -3.634 9.537 -3.316 1.00 54.41 H new ATOM 0 HZ1 LYS A 73 -4.528 10.631 -1.481 1.00 12.21 H new ATOM 0 HZ2 LYS A 73 -5.687 10.884 -2.696 1.00 12.21 H new ATOM 0 HZ3 LYS A 73 -5.960 9.718 -1.492 1.00 12.21 H new ATOM 1191 N ASN A 74 -9.324 5.159 -4.009 1.00 53.43 N ATOM 1192 CA ASN A 74 -10.419 5.111 -4.988 1.00 45.23 C ATOM 1193 C ASN A 74 -11.749 5.563 -4.363 1.00 72.52 C ATOM 1194 O ASN A 74 -12.609 6.122 -5.043 1.00 1.23 O ATOM 1195 CB ASN A 74 -10.569 3.698 -5.566 1.00 73.33 C ATOM 1196 CG ASN A 74 -11.585 3.634 -6.696 1.00 70.10 C ATOM 1197 OD1 ASN A 74 -11.247 3.836 -7.858 1.00 40.31 O ATOM 1198 ND2 ASN A 74 -12.834 3.367 -6.368 1.00 71.11 N ATOM 0 H ASN A 74 -8.803 4.287 -3.920 1.00 53.43 H new ATOM 0 HA ASN A 74 -10.167 5.800 -5.794 1.00 45.23 H new ATOM 0 HB2 ASN A 74 -9.602 3.354 -5.932 1.00 73.33 H new ATOM 0 HB3 ASN A 74 -10.870 3.015 -4.772 1.00 73.33 H new ATOM 0 HD21 ASN A 74 -13.553 3.323 -7.090 1.00 71.11 H new ATOM 0 HD22 ASN A 74 -13.081 3.204 -5.392 1.00 71.11 H new ATOM 1205 N LYS A 75 -11.907 5.318 -3.062 1.00 32.13 N ATOM 1206 CA LYS A 75 -13.089 5.773 -2.321 1.00 53.52 C ATOM 1207 C LYS A 75 -13.224 7.306 -2.409 1.00 20.12 C ATOM 1208 O LYS A 75 -14.295 7.837 -2.711 1.00 30.51 O ATOM 1209 CB LYS A 75 -12.983 5.335 -0.850 1.00 20.15 C ATOM 1210 CG LYS A 75 -14.243 5.599 -0.028 1.00 65.40 C ATOM 1211 CD LYS A 75 -15.428 4.741 -0.481 1.00 53.14 C ATOM 1212 CE LYS A 75 -15.289 3.270 -0.070 1.00 1.02 C ATOM 1213 NZ LYS A 75 -14.137 2.585 -0.720 1.00 43.31 N ATOM 0 H LYS A 75 -11.230 4.806 -2.496 1.00 32.13 H new ATOM 0 HA LYS A 75 -13.976 5.322 -2.765 1.00 53.52 H new ATOM 0 HB2 LYS A 75 -12.756 4.269 -0.815 1.00 20.15 H new ATOM 0 HB3 LYS A 75 -12.144 5.855 -0.387 1.00 20.15 H new ATOM 0 HG2 LYS A 75 -14.035 5.400 1.023 1.00 65.40 H new ATOM 0 HG3 LYS A 75 -14.510 6.653 -0.107 1.00 65.40 H new ATOM 0 HD2 LYS A 75 -16.347 5.146 -0.058 1.00 53.14 H new ATOM 0 HD3 LYS A 75 -15.522 4.803 -1.565 1.00 53.14 H new ATOM 0 HE2 LYS A 75 -15.175 3.211 1.012 1.00 1.02 H new ATOM 0 HE3 LYS A 75 -16.208 2.741 -0.323 1.00 1.02 H new ATOM 0 HZ1 LYS A 75 -14.381 1.590 -0.900 1.00 43.31 H new ATOM 0 HZ2 LYS A 75 -13.916 3.056 -1.621 1.00 43.31 H new ATOM 0 HZ3 LYS A 75 -13.308 2.630 -0.094 1.00 43.31 H new ATOM 1227 N VAL A 76 -12.115 7.999 -2.166 1.00 50.21 N ATOM 1228 CA VAL A 76 -12.064 9.462 -2.256 1.00 51.25 C ATOM 1229 C VAL A 76 -12.090 9.931 -3.725 1.00 53.03 C ATOM 1230 O VAL A 76 -12.686 10.959 -4.057 1.00 4.32 O ATOM 1231 CB VAL A 76 -10.788 10.010 -1.561 1.00 43.24 C ATOM 1232 CG1 VAL A 76 -10.750 11.536 -1.591 1.00 21.34 C ATOM 1233 CG2 VAL A 76 -10.698 9.497 -0.125 1.00 62.50 C ATOM 0 H VAL A 76 -11.229 7.569 -1.902 1.00 50.21 H new ATOM 0 HA VAL A 76 -12.946 9.852 -1.748 1.00 51.25 H new ATOM 0 HB VAL A 76 -9.923 9.646 -2.115 1.00 43.24 H new ATOM 0 HG11 VAL A 76 -9.844 11.887 -1.096 1.00 21.34 H new ATOM 0 HG12 VAL A 76 -10.755 11.880 -2.625 1.00 21.34 H new ATOM 0 HG13 VAL A 76 -11.623 11.932 -1.073 1.00 21.34 H new ATOM 0 HG21 VAL A 76 -9.798 9.891 0.346 1.00 62.50 H new ATOM 0 HG22 VAL A 76 -11.574 9.825 0.434 1.00 62.50 H new ATOM 0 HG23 VAL A 76 -10.658 8.408 -0.130 1.00 62.50 H new ATOM 1243 N ALA A 77 -11.452 9.157 -4.600 1.00 44.42 N ATOM 1244 CA ALA A 77 -11.391 9.476 -6.032 1.00 52.42 C ATOM 1245 C ALA A 77 -12.770 9.372 -6.704 1.00 1.13 C ATOM 1246 O ALA A 77 -13.086 10.139 -7.616 1.00 74.04 O ATOM 1247 CB ALA A 77 -10.395 8.557 -6.731 1.00 51.51 C ATOM 0 H ALA A 77 -10.966 8.298 -4.344 1.00 44.42 H new ATOM 0 HA ALA A 77 -11.059 10.510 -6.125 1.00 52.42 H new ATOM 0 HB1 ALA A 77 -10.357 8.802 -7.793 1.00 51.51 H new ATOM 0 HB2 ALA A 77 -9.406 8.691 -6.292 1.00 51.51 H new ATOM 0 HB3 ALA A 77 -10.709 7.520 -6.609 1.00 51.51 H new ATOM 1253 N ALA A 78 -13.580 8.418 -6.253 1.00 23.14 N ATOM 1254 CA ALA A 78 -14.929 8.214 -6.797 1.00 72.45 C ATOM 1255 C ALA A 78 -15.887 9.343 -6.388 1.00 42.25 C ATOM 1256 O ALA A 78 -16.613 9.891 -7.220 1.00 74.12 O ATOM 1257 CB ALA A 78 -15.478 6.865 -6.341 1.00 62.44 C ATOM 0 H ALA A 78 -13.328 7.768 -5.508 1.00 23.14 H new ATOM 0 HA ALA A 78 -14.854 8.226 -7.884 1.00 72.45 H new ATOM 0 HB1 ALA A 78 -16.479 6.723 -6.749 1.00 62.44 H new ATOM 0 HB2 ALA A 78 -14.825 6.068 -6.695 1.00 62.44 H new ATOM 0 HB3 ALA A 78 -15.523 6.840 -5.252 1.00 62.44 H new ATOM 1263 N GLN A 79 -15.889 9.687 -5.100 1.00 1.44 N ATOM 1264 CA GLN A 79 -16.742 10.770 -4.588 1.00 50.44 C ATOM 1265 C GLN A 79 -16.313 12.140 -5.149 1.00 11.13 C ATOM 1266 O GLN A 79 -17.148 13.004 -5.419 1.00 52.15 O ATOM 1267 CB GLN A 79 -16.712 10.798 -3.051 1.00 74.33 C ATOM 1268 CG GLN A 79 -15.326 11.051 -2.465 1.00 63.44 C ATOM 1269 CD GLN A 79 -15.310 11.102 -0.945 1.00 11.00 C ATOM 1270 OE1 GLN A 79 -16.123 10.472 -0.278 1.00 52.13 O ATOM 1271 NE2 GLN A 79 -14.374 11.844 -0.386 1.00 2.24 N ATOM 0 H GLN A 79 -15.312 9.235 -4.390 1.00 1.44 H new ATOM 0 HA GLN A 79 -17.761 10.572 -4.922 1.00 50.44 H new ATOM 0 HB2 GLN A 79 -17.392 11.573 -2.698 1.00 74.33 H new ATOM 0 HB3 GLN A 79 -17.088 9.847 -2.672 1.00 74.33 H new ATOM 0 HG2 GLN A 79 -14.649 10.266 -2.801 1.00 63.44 H new ATOM 0 HG3 GLN A 79 -14.941 11.993 -2.856 1.00 63.44 H new ATOM 0 HE21 GLN A 79 -13.713 12.356 -0.970 1.00 2.24 H new ATOM 0 HE22 GLN A 79 -14.311 11.906 0.630 1.00 2.24 H new ATOM 1280 N ASN A 80 -15.004 12.327 -5.328 1.00 40.54 N ATOM 1281 CA ASN A 80 -14.459 13.583 -5.862 1.00 71.34 C ATOM 1282 C ASN A 80 -14.276 13.531 -7.389 1.00 30.12 C ATOM 1283 O ASN A 80 -13.541 14.344 -7.959 1.00 23.31 O ATOM 1284 CB ASN A 80 -13.113 13.901 -5.197 1.00 70.40 C ATOM 1285 CG ASN A 80 -13.236 14.208 -3.716 1.00 1.21 C ATOM 1286 OD1 ASN A 80 -14.253 14.709 -3.251 1.00 43.34 O ATOM 1287 ND2 ASN A 80 -12.191 13.922 -2.970 1.00 33.32 N ATOM 0 H ASN A 80 -14.297 11.624 -5.111 1.00 40.54 H new ATOM 0 HA ASN A 80 -15.180 14.369 -5.636 1.00 71.34 H new ATOM 0 HB2 ASN A 80 -12.440 13.054 -5.331 1.00 70.40 H new ATOM 0 HB3 ASN A 80 -12.658 14.753 -5.702 1.00 70.40 H new ATOM 0 HD21 ASN A 80 -12.210 14.117 -1.969 1.00 33.32 H new ATOM 0 HD22 ASN A 80 -11.361 13.505 -3.393 1.00 33.32 H new ATOM 1294 N TYR A 81 -14.948 12.594 -8.052 1.00 41.23 N ATOM 1295 CA TYR A 81 -14.848 12.466 -9.510 1.00 63.34 C ATOM 1296 C TYR A 81 -15.347 13.746 -10.204 1.00 50.15 C ATOM 1297 O TYR A 81 -16.536 14.072 -10.148 1.00 72.53 O ATOM 1298 CB TYR A 81 -15.648 11.248 -10.001 1.00 51.11 C ATOM 1299 CG TYR A 81 -15.366 10.868 -11.449 1.00 3.13 C ATOM 1300 CD1 TYR A 81 -16.065 11.455 -12.500 1.00 1.42 C ATOM 1301 CD2 TYR A 81 -14.395 9.920 -11.760 1.00 32.43 C ATOM 1302 CE1 TYR A 81 -15.803 11.110 -13.814 1.00 11.21 C ATOM 1303 CE2 TYR A 81 -14.129 9.572 -13.070 1.00 13.11 C ATOM 1304 CZ TYR A 81 -14.837 10.165 -14.092 1.00 1.21 C ATOM 1305 OH TYR A 81 -14.572 9.816 -15.399 1.00 51.21 O ATOM 0 H TYR A 81 -15.566 11.914 -7.609 1.00 41.23 H new ATOM 0 HA TYR A 81 -13.799 12.320 -9.767 1.00 63.34 H new ATOM 0 HB2 TYR A 81 -15.422 10.395 -9.361 1.00 51.11 H new ATOM 0 HB3 TYR A 81 -16.712 11.456 -9.891 1.00 51.11 H new ATOM 0 HD1 TYR A 81 -16.825 12.192 -12.286 1.00 1.42 H new ATOM 0 HD2 TYR A 81 -13.840 9.448 -10.963 1.00 32.43 H new ATOM 0 HE1 TYR A 81 -16.352 11.578 -14.618 1.00 11.21 H new ATOM 0 HE2 TYR A 81 -13.369 8.838 -13.292 1.00 13.11 H new ATOM 0 HH TYR A 81 -13.864 9.139 -15.420 1.00 51.21 H new ATOM 1315 N ARG A 82 -14.430 14.468 -10.848 1.00 70.43 N ATOM 1316 CA ARG A 82 -14.759 15.731 -11.512 1.00 65.12 C ATOM 1317 C ARG A 82 -15.777 15.522 -12.646 1.00 20.43 C ATOM 1318 O ARG A 82 -15.431 15.054 -13.733 1.00 5.41 O ATOM 1319 CB ARG A 82 -13.484 16.386 -12.059 1.00 4.42 C ATOM 1320 CG ARG A 82 -13.728 17.739 -12.721 1.00 43.01 C ATOM 1321 CD ARG A 82 -12.435 18.357 -13.246 1.00 51.51 C ATOM 1322 NE ARG A 82 -11.820 17.556 -14.302 1.00 40.32 N ATOM 1323 CZ ARG A 82 -10.600 17.730 -14.736 1.00 71.52 C ATOM 1324 NH1 ARG A 82 -9.824 18.616 -14.196 1.00 35.43 N ATOM 1325 NH2 ARG A 82 -10.149 17.001 -15.703 1.00 52.02 N ATOM 0 H ARG A 82 -13.449 14.199 -10.924 1.00 70.43 H new ATOM 0 HA ARG A 82 -15.214 16.391 -10.773 1.00 65.12 H new ATOM 0 HB2 ARG A 82 -12.772 16.513 -11.243 1.00 4.42 H new ATOM 0 HB3 ARG A 82 -13.023 15.715 -12.783 1.00 4.42 H new ATOM 0 HG2 ARG A 82 -14.433 17.619 -13.544 1.00 43.01 H new ATOM 0 HG3 ARG A 82 -14.189 18.417 -12.003 1.00 43.01 H new ATOM 0 HD2 ARG A 82 -12.643 19.357 -13.627 1.00 51.51 H new ATOM 0 HD3 ARG A 82 -11.730 18.470 -12.423 1.00 51.51 H new ATOM 0 HE ARG A 82 -12.378 16.815 -14.727 1.00 40.32 H new ATOM 0 HH11 ARG A 82 -10.163 19.188 -13.422 1.00 35.43 H new ATOM 0 HH12 ARG A 82 -8.874 18.742 -14.544 1.00 35.43 H new ATOM 0 HH21 ARG A 82 -10.745 16.290 -16.127 1.00 52.02 H new ATOM 0 HH22 ARG A 82 -9.197 17.136 -16.042 1.00 52.02 H new ATOM 1339 N LYS A 83 -17.033 15.862 -12.380 1.00 33.22 N ATOM 1340 CA LYS A 83 -18.103 15.696 -13.363 1.00 42.54 C ATOM 1341 C LYS A 83 -18.620 17.061 -13.848 1.00 2.24 C ATOM 1342 O LYS A 83 -19.379 17.738 -13.152 1.00 31.42 O ATOM 1343 CB LYS A 83 -19.239 14.871 -12.752 1.00 31.35 C ATOM 1344 CG LYS A 83 -20.316 14.463 -13.749 1.00 74.41 C ATOM 1345 CD LYS A 83 -21.351 13.546 -13.102 1.00 62.05 C ATOM 1346 CE LYS A 83 -22.113 14.249 -11.983 1.00 72.05 C ATOM 1347 NZ LYS A 83 -22.929 15.380 -12.495 1.00 21.22 N ATOM 0 H LYS A 83 -17.338 16.256 -11.490 1.00 33.22 H new ATOM 0 HA LYS A 83 -17.706 15.166 -14.229 1.00 42.54 H new ATOM 0 HB2 LYS A 83 -18.819 13.973 -12.299 1.00 31.35 H new ATOM 0 HB3 LYS A 83 -19.701 15.446 -11.950 1.00 31.35 H new ATOM 0 HG2 LYS A 83 -20.809 15.353 -14.140 1.00 74.41 H new ATOM 0 HG3 LYS A 83 -19.856 13.955 -14.597 1.00 74.41 H new ATOM 0 HD2 LYS A 83 -22.055 13.201 -13.860 1.00 62.05 H new ATOM 0 HD3 LYS A 83 -20.854 12.662 -12.703 1.00 62.05 H new ATOM 0 HE2 LYS A 83 -22.761 13.532 -11.479 1.00 72.05 H new ATOM 0 HE3 LYS A 83 -21.407 14.618 -11.239 1.00 72.05 H new ATOM 0 HZ1 LYS A 83 -23.558 15.723 -11.741 1.00 21.22 H new ATOM 0 HZ2 LYS A 83 -22.301 16.151 -12.800 1.00 21.22 H new ATOM 0 HZ3 LYS A 83 -23.500 15.059 -13.303 1.00 21.22 H new ATOM 1361 N ARG A 84 -18.185 17.460 -15.042 1.00 3.51 N ATOM 1362 CA ARG A 84 -18.528 18.769 -15.610 1.00 61.14 C ATOM 1363 C ARG A 84 -18.299 18.777 -17.126 1.00 24.11 C ATOM 1364 O ARG A 84 -17.191 18.507 -17.598 1.00 45.14 O ATOM 1365 CB ARG A 84 -17.680 19.864 -14.936 1.00 24.15 C ATOM 1366 CG ARG A 84 -17.850 21.268 -15.517 1.00 15.10 C ATOM 1367 CD ARG A 84 -19.279 21.785 -15.379 1.00 32.20 C ATOM 1368 NE ARG A 84 -19.375 23.210 -15.703 1.00 4.23 N ATOM 1369 CZ ARG A 84 -20.440 23.791 -16.185 1.00 63.33 C ATOM 1370 NH1 ARG A 84 -21.498 23.103 -16.473 1.00 44.24 N ATOM 1371 NH2 ARG A 84 -20.437 25.071 -16.389 1.00 41.21 N ATOM 0 H ARG A 84 -17.588 16.891 -15.642 1.00 3.51 H new ATOM 0 HA ARG A 84 -19.584 18.968 -15.424 1.00 61.14 H new ATOM 0 HB2 ARG A 84 -17.930 19.894 -13.876 1.00 24.15 H new ATOM 0 HB3 ARG A 84 -16.629 19.583 -15.008 1.00 24.15 H new ATOM 0 HG2 ARG A 84 -17.168 21.952 -15.012 1.00 15.10 H new ATOM 0 HG3 ARG A 84 -17.570 21.259 -16.570 1.00 15.10 H new ATOM 0 HD2 ARG A 84 -19.936 21.217 -16.038 1.00 32.20 H new ATOM 0 HD3 ARG A 84 -19.629 21.619 -14.360 1.00 32.20 H new ATOM 0 HE ARG A 84 -18.551 23.789 -15.541 1.00 4.23 H new ATOM 0 HH11 ARG A 84 -21.506 22.094 -16.324 1.00 44.24 H new ATOM 0 HH12 ARG A 84 -22.323 23.570 -16.849 1.00 44.24 H new ATOM 0 HH21 ARG A 84 -19.605 25.620 -16.173 1.00 41.21 H new ATOM 0 HH22 ARG A 84 -21.267 25.529 -16.765 1.00 41.21 H new ATOM 1385 N LYS A 85 -19.340 19.066 -17.898 1.00 51.13 N ATOM 1386 CA LYS A 85 -19.207 19.109 -19.354 1.00 71.43 C ATOM 1387 C LYS A 85 -18.520 20.415 -19.783 1.00 12.01 C ATOM 1388 O LYS A 85 -19.176 21.398 -20.133 1.00 4.02 O ATOM 1389 CB LYS A 85 -20.588 18.948 -20.027 1.00 74.32 C ATOM 1390 CG LYS A 85 -20.553 18.504 -21.497 1.00 2.32 C ATOM 1391 CD LYS A 85 -20.120 19.616 -22.454 1.00 21.32 C ATOM 1392 CE LYS A 85 -20.219 19.180 -23.915 1.00 34.43 C ATOM 1393 NZ LYS A 85 -19.872 20.284 -24.850 1.00 41.12 N ATOM 0 H LYS A 85 -20.276 19.272 -17.548 1.00 51.13 H new ATOM 0 HA LYS A 85 -18.582 18.277 -19.680 1.00 71.43 H new ATOM 0 HB2 LYS A 85 -21.168 18.221 -19.459 1.00 74.32 H new ATOM 0 HB3 LYS A 85 -21.118 19.899 -19.964 1.00 74.32 H new ATOM 0 HG2 LYS A 85 -19.870 17.660 -21.598 1.00 2.32 H new ATOM 0 HG3 LYS A 85 -21.542 18.150 -21.786 1.00 2.32 H new ATOM 0 HD2 LYS A 85 -20.744 20.496 -22.294 1.00 21.32 H new ATOM 0 HD3 LYS A 85 -19.094 19.908 -22.231 1.00 21.32 H new ATOM 0 HE2 LYS A 85 -19.552 18.335 -24.087 1.00 34.43 H new ATOM 0 HE3 LYS A 85 -21.232 18.834 -24.122 1.00 34.43 H new ATOM 0 HZ1 LYS A 85 -19.310 19.907 -25.640 1.00 41.12 H new ATOM 0 HZ2 LYS A 85 -20.744 20.713 -25.220 1.00 41.12 H new ATOM 0 HZ3 LYS A 85 -19.319 21.005 -24.345 1.00 41.12 H new ATOM 1407 N LEU A 86 -17.191 20.434 -19.690 1.00 41.13 N ATOM 1408 CA LEU A 86 -16.405 21.568 -20.182 1.00 50.20 C ATOM 1409 C LEU A 86 -16.596 21.722 -21.696 1.00 12.01 C ATOM 1410 O LEU A 86 -16.734 20.729 -22.414 1.00 72.14 O ATOM 1411 CB LEU A 86 -14.908 21.396 -19.845 1.00 23.32 C ATOM 1412 CG LEU A 86 -14.146 20.306 -20.628 1.00 73.30 C ATOM 1413 CD1 LEU A 86 -12.647 20.397 -20.346 1.00 12.14 C ATOM 1414 CD2 LEU A 86 -14.667 18.907 -20.287 1.00 74.03 C ATOM 0 H LEU A 86 -16.637 19.682 -19.281 1.00 41.13 H new ATOM 0 HA LEU A 86 -16.760 22.471 -19.684 1.00 50.20 H new ATOM 0 HB2 LEU A 86 -14.408 22.350 -20.015 1.00 23.32 H new ATOM 0 HB3 LEU A 86 -14.821 21.175 -18.781 1.00 23.32 H new ATOM 0 HG LEU A 86 -14.317 20.478 -21.691 1.00 73.30 H new ATOM 0 HD11 LEU A 86 -12.124 19.622 -20.906 1.00 12.14 H new ATOM 0 HD12 LEU A 86 -12.278 21.376 -20.651 1.00 12.14 H new ATOM 0 HD13 LEU A 86 -12.468 20.258 -19.280 1.00 12.14 H new ATOM 0 HD21 LEU A 86 -14.109 18.163 -20.855 1.00 74.03 H new ATOM 0 HD22 LEU A 86 -14.538 18.721 -19.221 1.00 74.03 H new ATOM 0 HD23 LEU A 86 -15.725 18.840 -20.542 1.00 74.03 H new ATOM 1426 N GLU A 87 -16.617 22.954 -22.183 1.00 23.22 N ATOM 1427 CA GLU A 87 -16.899 23.193 -23.598 1.00 45.53 C ATOM 1428 C GLU A 87 -15.630 23.082 -24.452 1.00 3.42 C ATOM 1429 O GLU A 87 -14.822 24.018 -24.527 1.00 33.42 O ATOM 1430 CB GLU A 87 -17.567 24.561 -23.797 1.00 74.42 C ATOM 1431 CG GLU A 87 -18.086 24.786 -25.215 1.00 43.42 C ATOM 1432 CD GLU A 87 -19.185 23.803 -25.599 1.00 12.40 C ATOM 1433 OE1 GLU A 87 -18.866 22.657 -25.976 1.00 51.53 O ATOM 1434 OE2 GLU A 87 -20.376 24.172 -25.516 1.00 13.34 O ATOM 0 H GLU A 87 -16.445 23.795 -21.632 1.00 23.22 H new ATOM 0 HA GLU A 87 -17.591 22.419 -23.930 1.00 45.53 H new ATOM 0 HB2 GLU A 87 -18.396 24.657 -23.096 1.00 74.42 H new ATOM 0 HB3 GLU A 87 -16.850 25.345 -23.552 1.00 74.42 H new ATOM 0 HG2 GLU A 87 -18.467 25.804 -25.301 1.00 43.42 H new ATOM 0 HG3 GLU A 87 -17.259 24.695 -25.919 1.00 43.42 H new ATOM 1441 N THR A 88 -15.449 21.922 -25.076 1.00 0.50 N ATOM 1442 CA THR A 88 -14.309 21.682 -25.963 1.00 4.33 C ATOM 1443 C THR A 88 -14.520 22.360 -27.325 1.00 60.52 C ATOM 1444 O THR A 88 -15.107 21.778 -28.244 1.00 51.10 O ATOM 1445 CB THR A 88 -14.064 20.164 -26.186 1.00 13.33 C ATOM 1446 OG1 THR A 88 -14.019 19.472 -24.924 1.00 71.34 O ATOM 1447 CG2 THR A 88 -12.756 19.925 -26.940 1.00 62.43 C ATOM 0 H THR A 88 -16.081 21.126 -24.984 1.00 0.50 H new ATOM 0 HA THR A 88 -13.435 22.111 -25.473 1.00 4.33 H new ATOM 0 HB THR A 88 -14.891 19.779 -26.783 1.00 13.33 H new ATOM 0 HG1 THR A 88 -13.866 18.517 -25.080 1.00 71.34 H new ATOM 0 HG21 THR A 88 -12.609 18.854 -27.083 1.00 62.43 H new ATOM 0 HG22 THR A 88 -12.801 20.418 -27.911 1.00 62.43 H new ATOM 0 HG23 THR A 88 -11.925 20.332 -26.364 1.00 62.43 H new ATOM 1455 N ILE A 89 -14.064 23.606 -27.439 1.00 1.43 N ATOM 1456 CA ILE A 89 -14.194 24.372 -28.683 1.00 24.25 C ATOM 1457 C ILE A 89 -13.148 23.940 -29.722 1.00 74.04 C ATOM 1458 O ILE A 89 -11.949 23.941 -29.443 1.00 45.52 O ATOM 1459 CB ILE A 89 -14.048 25.894 -28.421 1.00 1.00 C ATOM 1460 CG1 ILE A 89 -15.110 26.369 -27.414 1.00 51.11 C ATOM 1461 CG2 ILE A 89 -14.152 26.683 -29.728 1.00 74.34 C ATOM 1462 CD1 ILE A 89 -15.033 27.847 -27.086 1.00 53.24 C ATOM 0 H ILE A 89 -13.599 24.110 -26.684 1.00 1.43 H new ATOM 0 HA ILE A 89 -15.190 24.167 -29.076 1.00 24.25 H new ATOM 0 HB ILE A 89 -13.062 26.076 -27.994 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -16.099 26.147 -27.814 1.00 51.11 H new ATOM 0 HG13 ILE A 89 -15.003 25.797 -26.492 1.00 51.11 H new ATOM 0 HG21 ILE A 89 -14.047 27.748 -29.520 1.00 74.34 H new ATOM 0 HG22 ILE A 89 -13.361 26.366 -30.408 1.00 74.34 H new ATOM 0 HG23 ILE A 89 -15.122 26.498 -30.189 1.00 74.34 H new ATOM 0 HD11 ILE A 89 -15.814 28.102 -26.370 1.00 53.24 H new ATOM 0 HD12 ILE A 89 -14.058 28.074 -26.655 1.00 53.24 H new ATOM 0 HD13 ILE A 89 -15.171 28.430 -27.997 1.00 53.24 H new ATOM 1474 N VAL A 90 -13.610 23.573 -30.914 1.00 3.04 N ATOM 1475 CA VAL A 90 -12.713 23.188 -32.009 1.00 44.45 C ATOM 1476 C VAL A 90 -12.617 24.312 -33.057 1.00 63.23 C ATOM 1477 O VAL A 90 -13.637 24.822 -33.534 1.00 2.41 O ATOM 1478 CB VAL A 90 -13.169 21.863 -32.686 1.00 74.44 C ATOM 1479 CG1 VAL A 90 -14.589 21.977 -33.239 1.00 72.02 C ATOM 1480 CG2 VAL A 90 -12.186 21.448 -33.783 1.00 25.12 C ATOM 0 H VAL A 90 -14.601 23.533 -31.150 1.00 3.04 H new ATOM 0 HA VAL A 90 -11.726 23.023 -31.576 1.00 44.45 H new ATOM 0 HB VAL A 90 -13.176 21.086 -31.922 1.00 74.44 H new ATOM 0 HG11 VAL A 90 -14.875 21.034 -33.705 1.00 72.02 H new ATOM 0 HG12 VAL A 90 -15.279 22.204 -32.426 1.00 72.02 H new ATOM 0 HG13 VAL A 90 -14.628 22.774 -33.981 1.00 72.02 H new ATOM 0 HG21 VAL A 90 -12.524 20.519 -34.243 1.00 25.12 H new ATOM 0 HG22 VAL A 90 -12.135 22.230 -34.540 1.00 25.12 H new ATOM 0 HG23 VAL A 90 -11.198 21.298 -33.348 1.00 25.12 H new ATOM 1490 N GLN A 91 -11.387 24.705 -33.391 1.00 33.01 N ATOM 1491 CA GLN A 91 -11.139 25.787 -34.361 1.00 45.41 C ATOM 1492 C GLN A 91 -11.418 25.340 -35.818 1.00 13.41 C ATOM 1493 O GLN A 91 -10.678 24.479 -36.348 1.00 38.07 O ATOM 1494 CB GLN A 91 -9.697 26.318 -34.206 1.00 60.40 C ATOM 1495 CG GLN A 91 -8.619 25.231 -34.186 1.00 34.41 C ATOM 1496 CD GLN A 91 -7.206 25.786 -34.071 1.00 34.33 C ATOM 1497 OE1 GLN A 91 -6.324 25.158 -33.494 1.00 31.40 O ATOM 1498 NE2 GLN A 91 -6.969 26.953 -34.635 1.00 51.13 N ATOM 1499 OXT GLN A 91 -12.382 25.855 -36.425 1.00 38.07 O ATOM 0 H GLN A 91 -10.539 24.291 -33.005 1.00 33.01 H new ATOM 0 HA GLN A 91 -11.837 26.596 -34.144 1.00 45.41 H new ATOM 0 HB2 GLN A 91 -9.487 27.006 -35.025 1.00 60.40 H new ATOM 0 HB3 GLN A 91 -9.632 26.893 -33.282 1.00 60.40 H new ATOM 0 HG2 GLN A 91 -8.807 24.558 -33.349 1.00 34.41 H new ATOM 0 HG3 GLN A 91 -8.695 24.636 -35.096 1.00 34.41 H new ATOM 0 HE21 GLN A 91 -7.722 27.453 -35.108 1.00 51.13 H new ATOM 0 HE22 GLN A 91 -6.033 27.356 -34.599 1.00 51.13 H new TER 1508 GLN A 91