USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.042) USER MOD Single : A 15 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.18) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.083 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= 0.566 (180deg=0.135) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 30 GLN : amide:sc= -0.0213 K(o=-0.021,f=-0.69) USER MOD Single : A 32 THR OG1 : rot 76:sc= 0.623 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= -0.0412 (180deg=-0.599) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 70 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0774 USER MOD Single : A 72 SER OG : rot -91:sc= 0.106 USER MOD Single : A 79 GLN : amide:sc= -0.721 K(o=-0.72,f=-2.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.406 -0.475 -6.958 1.00 71.21 N ATOM 28 CA HIS A 14 1.265 -0.952 -8.036 1.00 73.23 C ATOM 29 C HIS A 14 0.484 -1.068 -9.342 1.00 32.31 C ATOM 30 O HIS A 14 -0.621 -1.610 -9.368 1.00 63.34 O ATOM 31 CB HIS A 14 1.874 -2.306 -7.671 1.00 33.14 C ATOM 32 CG HIS A 14 0.856 -3.387 -7.475 1.00 61.51 C ATOM 33 ND1 HIS A 14 0.735 -4.469 -8.322 1.00 54.44 N ATOM 34 CD2 HIS A 14 -0.090 -3.551 -6.521 1.00 23.12 C ATOM 35 CE1 HIS A 14 -0.243 -5.249 -7.899 1.00 31.53 C ATOM 36 NE2 HIS A 14 -0.759 -4.715 -6.807 1.00 34.45 N ATOM 0 HA HIS A 14 2.067 -0.227 -8.175 1.00 73.23 H new ATOM 0 HB2 HIS A 14 2.566 -2.608 -8.457 1.00 33.14 H new ATOM 0 HB3 HIS A 14 2.458 -2.198 -6.757 1.00 33.14 H new ATOM 0 HD2 HIS A 14 -0.283 -2.889 -5.690 1.00 23.12 H new ATOM 0 HE1 HIS A 14 -0.566 -6.167 -8.367 1.00 31.53 H new ATOM 0 HE2 HIS A 14 -1.530 -5.104 -6.264 1.00 34.45 H new ATOM 44 N GLN A 15 1.065 -0.555 -10.421 1.00 64.23 N ATOM 45 CA GLN A 15 0.423 -0.601 -11.729 1.00 55.42 C ATOM 46 C GLN A 15 1.383 -1.128 -12.790 1.00 30.42 C ATOM 47 O GLN A 15 2.525 -0.679 -12.888 1.00 25.13 O ATOM 48 CB GLN A 15 -0.077 0.790 -12.124 1.00 15.13 C ATOM 49 CG GLN A 15 0.996 1.864 -12.056 1.00 11.41 C ATOM 50 CD GLN A 15 0.772 2.842 -10.919 1.00 41.22 C ATOM 51 OE1 GLN A 15 -0.326 3.373 -10.748 1.00 61.44 O ATOM 52 NE2 GLN A 15 1.815 3.086 -10.134 1.00 13.02 N ATOM 0 H GLN A 15 1.979 -0.103 -10.415 1.00 64.23 H new ATOM 0 HA GLN A 15 -0.426 -1.281 -11.664 1.00 55.42 H new ATOM 0 HB2 GLN A 15 -0.475 0.750 -13.138 1.00 15.13 H new ATOM 0 HB3 GLN A 15 -0.902 1.070 -11.469 1.00 15.13 H new ATOM 0 HG2 GLN A 15 1.971 1.391 -11.937 1.00 11.41 H new ATOM 0 HG3 GLN A 15 1.019 2.409 -13.000 1.00 11.41 H new ATOM 0 HE21 GLN A 15 2.707 2.624 -10.312 1.00 13.02 H new ATOM 0 HE22 GLN A 15 1.724 3.736 -9.353 1.00 13.02 H new ATOM 61 N THR A 16 0.913 -2.086 -13.583 1.00 53.25 N ATOM 62 CA THR A 16 1.730 -2.676 -14.636 1.00 32.10 C ATOM 63 C THR A 16 0.870 -3.133 -15.809 1.00 12.31 C ATOM 64 O THR A 16 -0.106 -3.861 -15.630 1.00 14.05 O ATOM 65 CB THR A 16 2.541 -3.876 -14.111 1.00 50.22 C ATOM 66 OG1 THR A 16 2.685 -3.785 -12.689 1.00 61.44 O ATOM 67 CG2 THR A 16 3.915 -3.927 -14.763 1.00 35.10 C ATOM 0 H THR A 16 -0.030 -2.470 -13.516 1.00 53.25 H new ATOM 0 HA THR A 16 2.418 -1.901 -14.974 1.00 32.10 H new ATOM 0 HB THR A 16 2.002 -4.789 -14.364 1.00 50.22 H new ATOM 0 HG1 THR A 16 3.200 -4.552 -12.363 1.00 61.44 H new ATOM 0 HG21 THR A 16 4.469 -4.782 -14.377 1.00 35.10 H new ATOM 0 HG22 THR A 16 3.802 -4.025 -15.843 1.00 35.10 H new ATOM 0 HG23 THR A 16 4.459 -3.010 -14.537 1.00 35.10 H new ATOM 75 N VAL A 17 1.239 -2.701 -17.011 1.00 13.23 N ATOM 76 CA VAL A 17 0.502 -3.067 -18.214 1.00 74.11 C ATOM 77 C VAL A 17 1.360 -3.914 -19.148 1.00 14.52 C ATOM 78 O VAL A 17 2.579 -3.752 -19.205 1.00 12.41 O ATOM 79 CB VAL A 17 0.012 -1.820 -18.974 1.00 44.10 C ATOM 80 CG1 VAL A 17 -0.894 -2.219 -20.128 1.00 73.12 C ATOM 81 CG2 VAL A 17 -0.703 -0.867 -18.028 1.00 41.14 C ATOM 0 H VAL A 17 2.044 -2.097 -17.177 1.00 13.23 H new ATOM 0 HA VAL A 17 -0.361 -3.649 -17.891 1.00 74.11 H new ATOM 0 HB VAL A 17 0.879 -1.304 -19.387 1.00 44.10 H new ATOM 0 HG11 VAL A 17 -1.230 -1.325 -20.653 1.00 73.12 H new ATOM 0 HG12 VAL A 17 -0.344 -2.859 -20.818 1.00 73.12 H new ATOM 0 HG13 VAL A 17 -1.758 -2.759 -19.742 1.00 73.12 H new ATOM 0 HG21 VAL A 17 -1.043 0.008 -18.581 1.00 41.14 H new ATOM 0 HG22 VAL A 17 -1.561 -1.371 -17.584 1.00 41.14 H new ATOM 0 HG23 VAL A 17 -0.018 -0.555 -17.240 1.00 41.14 H new ATOM 91 N TYR A 18 0.715 -4.816 -19.878 1.00 70.34 N ATOM 92 CA TYR A 18 1.419 -5.690 -20.809 1.00 61.41 C ATOM 93 C TYR A 18 1.073 -5.340 -22.253 1.00 62.32 C ATOM 94 O TYR A 18 -0.098 -5.212 -22.610 1.00 71.50 O ATOM 95 CB TYR A 18 1.071 -7.153 -20.530 1.00 20.51 C ATOM 96 CG TYR A 18 1.144 -7.525 -19.066 1.00 11.40 C ATOM 97 CD1 TYR A 18 2.332 -7.970 -18.501 1.00 25.05 C ATOM 98 CD2 TYR A 18 0.024 -7.431 -18.248 1.00 45.35 C ATOM 99 CE1 TYR A 18 2.404 -8.311 -17.164 1.00 12.14 C ATOM 100 CE2 TYR A 18 0.087 -7.768 -16.910 1.00 51.04 C ATOM 101 CZ TYR A 18 1.279 -8.208 -16.373 1.00 15.34 C ATOM 102 OH TYR A 18 1.344 -8.546 -15.040 1.00 44.14 O ATOM 0 H TYR A 18 -0.294 -4.961 -19.843 1.00 70.34 H new ATOM 0 HA TYR A 18 2.490 -5.544 -20.665 1.00 61.41 H new ATOM 0 HB2 TYR A 18 0.065 -7.355 -20.898 1.00 20.51 H new ATOM 0 HB3 TYR A 18 1.750 -7.793 -21.093 1.00 20.51 H new ATOM 0 HD1 TYR A 18 3.215 -8.051 -19.117 1.00 25.05 H new ATOM 0 HD2 TYR A 18 -0.911 -7.089 -18.666 1.00 45.35 H new ATOM 0 HE1 TYR A 18 3.336 -8.656 -16.741 1.00 12.14 H new ATOM 0 HE2 TYR A 18 -0.792 -7.687 -16.288 1.00 51.04 H new ATOM 0 HH TYR A 18 0.465 -8.415 -14.626 1.00 44.14 H new ATOM 112 N VAL A 19 2.102 -5.187 -23.081 1.00 2.03 N ATOM 113 CA VAL A 19 1.909 -4.853 -24.487 1.00 22.51 C ATOM 114 C VAL A 19 2.688 -5.804 -25.389 1.00 73.41 C ATOM 115 O VAL A 19 3.760 -6.286 -25.024 1.00 22.31 O ATOM 116 CB VAL A 19 2.346 -3.407 -24.786 1.00 12.13 C ATOM 117 CG1 VAL A 19 2.033 -3.042 -26.229 1.00 14.33 C ATOM 118 CG2 VAL A 19 1.674 -2.439 -23.824 1.00 52.40 C ATOM 0 H VAL A 19 3.078 -5.289 -22.802 1.00 2.03 H new ATOM 0 HA VAL A 19 0.843 -4.952 -24.692 1.00 22.51 H new ATOM 0 HB VAL A 19 3.424 -3.334 -24.645 1.00 12.13 H new ATOM 0 HG11 VAL A 19 2.349 -2.017 -26.422 1.00 14.33 H new ATOM 0 HG12 VAL A 19 2.565 -3.718 -26.899 1.00 14.33 H new ATOM 0 HG13 VAL A 19 0.960 -3.130 -26.402 1.00 14.33 H new ATOM 0 HG21 VAL A 19 1.994 -1.422 -24.049 1.00 52.40 H new ATOM 0 HG22 VAL A 19 0.592 -2.511 -23.932 1.00 52.40 H new ATOM 0 HG23 VAL A 19 1.954 -2.689 -22.801 1.00 52.40 H new ATOM 128 N LYS A 20 2.141 -6.071 -26.570 1.00 41.35 N ATOM 129 CA LYS A 20 2.784 -6.963 -27.528 1.00 1.21 C ATOM 130 C LYS A 20 4.234 -6.552 -27.765 1.00 72.44 C ATOM 131 O LYS A 20 4.621 -5.403 -27.554 1.00 63.02 O ATOM 132 CB LYS A 20 2.018 -6.960 -28.853 1.00 4.41 C ATOM 133 CG LYS A 20 1.617 -5.571 -29.320 1.00 34.31 C ATOM 134 CD LYS A 20 1.372 -5.536 -30.819 1.00 74.41 C ATOM 135 CE LYS A 20 2.676 -5.438 -31.595 1.00 1.30 C ATOM 136 NZ LYS A 20 2.738 -4.200 -32.421 1.00 74.55 N ATOM 0 H LYS A 20 1.253 -5.682 -26.887 1.00 41.35 H new ATOM 0 HA LYS A 20 2.774 -7.971 -27.112 1.00 1.21 H new ATOM 0 HB2 LYS A 20 2.634 -7.429 -29.620 1.00 4.41 H new ATOM 0 HB3 LYS A 20 1.122 -7.571 -28.747 1.00 4.41 H new ATOM 0 HG2 LYS A 20 0.715 -5.256 -28.796 1.00 34.31 H new ATOM 0 HG3 LYS A 20 2.401 -4.859 -29.062 1.00 34.31 H new ATOM 0 HD2 LYS A 20 0.834 -6.434 -31.122 1.00 74.41 H new ATOM 0 HD3 LYS A 20 0.736 -4.685 -31.065 1.00 74.41 H new ATOM 0 HE2 LYS A 20 3.515 -5.453 -30.899 1.00 1.30 H new ATOM 0 HE3 LYS A 20 2.781 -6.311 -32.240 1.00 1.30 H new ATOM 0 HZ1 LYS A 20 3.246 -4.399 -33.307 1.00 74.55 H new ATOM 0 HZ2 LYS A 20 1.773 -3.880 -32.639 1.00 74.55 H new ATOM 0 HZ3 LYS A 20 3.239 -3.456 -31.894 1.00 74.55 H new ATOM 150 N PRO A 21 5.055 -7.512 -28.216 1.00 62.14 N ATOM 151 CA PRO A 21 6.475 -7.273 -28.494 1.00 75.13 C ATOM 152 C PRO A 21 6.684 -6.383 -29.715 1.00 25.52 C ATOM 153 O PRO A 21 5.771 -6.187 -30.516 1.00 42.55 O ATOM 154 CB PRO A 21 7.026 -8.677 -28.755 1.00 23.04 C ATOM 155 CG PRO A 21 5.851 -9.466 -29.219 1.00 11.12 C ATOM 156 CD PRO A 21 4.661 -8.904 -28.490 1.00 64.33 C ATOM 0 HA PRO A 21 6.969 -6.752 -27.674 1.00 75.13 H new ATOM 0 HB2 PRO A 21 7.813 -8.659 -29.509 1.00 23.04 H new ATOM 0 HB3 PRO A 21 7.459 -9.106 -27.852 1.00 23.04 H new ATOM 0 HG2 PRO A 21 5.724 -9.379 -30.298 1.00 11.12 H new ATOM 0 HG3 PRO A 21 5.980 -10.525 -28.997 1.00 11.12 H new ATOM 0 HD2 PRO A 21 3.757 -8.954 -29.098 1.00 64.33 H new ATOM 0 HD3 PRO A 21 4.457 -9.452 -27.570 1.00 64.33 H new ATOM 164 N VAL A 22 7.894 -5.848 -29.850 1.00 73.23 N ATOM 165 CA VAL A 22 8.224 -4.980 -30.975 1.00 31.55 C ATOM 166 C VAL A 22 9.168 -5.677 -31.948 1.00 73.50 C ATOM 167 O VAL A 22 9.905 -6.595 -31.587 1.00 70.12 O ATOM 168 CB VAL A 22 8.873 -3.668 -30.498 1.00 43.52 C ATOM 169 CG1 VAL A 22 7.826 -2.740 -29.901 1.00 4.13 C ATOM 170 CG2 VAL A 22 9.979 -3.954 -29.494 1.00 20.34 C ATOM 0 H VAL A 22 8.661 -6.000 -29.195 1.00 73.23 H new ATOM 0 HA VAL A 22 7.288 -4.750 -31.484 1.00 31.55 H new ATOM 0 HB VAL A 22 9.317 -3.169 -31.359 1.00 43.52 H new ATOM 0 HG11 VAL A 22 8.304 -1.818 -29.569 1.00 4.13 H new ATOM 0 HG12 VAL A 22 7.073 -2.508 -30.654 1.00 4.13 H new ATOM 0 HG13 VAL A 22 7.350 -3.228 -29.051 1.00 4.13 H new ATOM 0 HG21 VAL A 22 10.426 -3.015 -29.168 1.00 20.34 H new ATOM 0 HG22 VAL A 22 9.562 -4.476 -28.633 1.00 20.34 H new ATOM 0 HG23 VAL A 22 10.742 -4.576 -29.961 1.00 20.34 H new ATOM 180 N PRO A 23 9.147 -5.233 -33.213 1.00 54.13 N ATOM 181 CA PRO A 23 9.996 -5.799 -34.266 1.00 35.44 C ATOM 182 C PRO A 23 11.469 -5.460 -34.067 1.00 52.24 C ATOM 183 O PRO A 23 11.831 -4.609 -33.255 1.00 14.24 O ATOM 184 CB PRO A 23 9.463 -5.144 -35.542 1.00 72.03 C ATOM 185 CG PRO A 23 8.848 -3.867 -35.084 1.00 55.02 C ATOM 186 CD PRO A 23 8.293 -4.143 -33.714 1.00 12.30 C ATOM 0 HA PRO A 23 9.955 -6.888 -34.282 1.00 35.44 H new ATOM 0 HB2 PRO A 23 10.264 -4.963 -36.258 1.00 72.03 H new ATOM 0 HB3 PRO A 23 8.730 -5.781 -36.038 1.00 72.03 H new ATOM 0 HG2 PRO A 23 9.588 -3.067 -35.052 1.00 55.02 H new ATOM 0 HG3 PRO A 23 8.061 -3.546 -35.766 1.00 55.02 H new ATOM 0 HD2 PRO A 23 8.348 -3.263 -33.073 1.00 12.30 H new ATOM 0 HD3 PRO A 23 7.245 -4.441 -33.757 1.00 12.30 H new ATOM 194 N PRO A 24 12.341 -6.139 -34.827 1.00 71.11 N ATOM 195 CA PRO A 24 13.789 -5.925 -34.753 1.00 63.33 C ATOM 196 C PRO A 24 14.205 -4.570 -35.316 1.00 34.31 C ATOM 197 O PRO A 24 15.301 -4.082 -35.042 1.00 3.33 O ATOM 198 CB PRO A 24 14.359 -7.058 -35.611 1.00 2.11 C ATOM 199 CG PRO A 24 13.265 -7.400 -36.563 1.00 2.43 C ATOM 200 CD PRO A 24 11.980 -7.168 -35.817 1.00 1.11 C ATOM 0 HA PRO A 24 14.149 -5.928 -33.724 1.00 63.33 H new ATOM 0 HB2 PRO A 24 15.258 -6.741 -36.139 1.00 2.11 H new ATOM 0 HB3 PRO A 24 14.635 -7.917 -35.000 1.00 2.11 H new ATOM 0 HG2 PRO A 24 13.316 -6.777 -37.456 1.00 2.43 H new ATOM 0 HG3 PRO A 24 13.344 -8.436 -36.892 1.00 2.43 H new ATOM 0 HD2 PRO A 24 11.186 -6.826 -36.481 1.00 1.11 H new ATOM 0 HD3 PRO A 24 11.624 -8.080 -35.337 1.00 1.11 H new ATOM 208 N THR A 25 13.321 -3.966 -36.105 1.00 22.04 N ATOM 209 CA THR A 25 13.596 -2.668 -36.706 1.00 44.54 C ATOM 210 C THR A 25 13.233 -1.533 -35.755 1.00 43.35 C ATOM 211 O THR A 25 13.910 -0.506 -35.712 1.00 42.03 O ATOM 212 CB THR A 25 12.822 -2.484 -38.025 1.00 64.35 C ATOM 213 OG1 THR A 25 11.770 -3.451 -38.114 1.00 54.20 O ATOM 214 CG2 THR A 25 13.751 -2.627 -39.222 1.00 71.10 C ATOM 0 H THR A 25 12.409 -4.356 -36.342 1.00 22.04 H new ATOM 0 HA THR A 25 14.666 -2.637 -36.913 1.00 44.54 H new ATOM 0 HB THR A 25 12.395 -1.481 -38.034 1.00 64.35 H new ATOM 0 HG1 THR A 25 11.281 -3.327 -38.954 1.00 54.20 H new ATOM 0 HG21 THR A 25 13.182 -2.493 -40.142 1.00 71.10 H new ATOM 0 HG22 THR A 25 14.535 -1.871 -39.167 1.00 71.10 H new ATOM 0 HG23 THR A 25 14.203 -3.619 -39.216 1.00 71.10 H new ATOM 222 N ALA A 26 12.161 -1.725 -34.994 1.00 61.12 N ATOM 223 CA ALA A 26 11.710 -0.718 -34.042 1.00 20.34 C ATOM 224 C ALA A 26 12.805 -0.387 -33.033 1.00 50.13 C ATOM 225 O ALA A 26 13.090 -1.173 -32.129 1.00 64.14 O ATOM 226 CB ALA A 26 10.456 -1.195 -33.324 1.00 52.01 C ATOM 0 H ALA A 26 11.589 -2.569 -35.018 1.00 61.12 H new ATOM 0 HA ALA A 26 11.475 0.191 -34.596 1.00 20.34 H new ATOM 0 HB1 ALA A 26 10.130 -0.433 -32.616 1.00 52.01 H new ATOM 0 HB2 ALA A 26 9.666 -1.375 -34.053 1.00 52.01 H new ATOM 0 HB3 ALA A 26 10.673 -2.119 -32.788 1.00 52.01 H new ATOM 232 N THR A 27 13.417 0.782 -33.194 1.00 11.41 N ATOM 233 CA THR A 27 14.482 1.217 -32.299 1.00 30.10 C ATOM 234 C THR A 27 13.914 1.865 -31.042 1.00 35.44 C ATOM 235 O THR A 27 12.710 2.109 -30.946 1.00 40.15 O ATOM 236 CB THR A 27 15.428 2.215 -32.994 1.00 33.40 C ATOM 237 OG1 THR A 27 14.736 3.439 -33.265 1.00 35.53 O ATOM 238 CG2 THR A 27 15.968 1.634 -34.292 1.00 72.31 C ATOM 0 H THR A 27 13.193 1.445 -33.936 1.00 11.41 H new ATOM 0 HA THR A 27 15.045 0.326 -32.022 1.00 30.10 H new ATOM 0 HB THR A 27 16.266 2.413 -32.326 1.00 33.40 H new ATOM 0 HG1 THR A 27 15.345 4.068 -33.705 1.00 35.53 H new ATOM 0 HG21 THR A 27 16.633 2.356 -34.765 1.00 72.31 H new ATOM 0 HG22 THR A 27 16.519 0.718 -34.079 1.00 72.31 H new ATOM 0 HG23 THR A 27 15.139 1.411 -34.963 1.00 72.31 H new ATOM 246 N LEU A 28 14.786 2.141 -30.078 1.00 54.24 N ATOM 247 CA LEU A 28 14.370 2.762 -28.825 1.00 42.34 C ATOM 248 C LEU A 28 13.855 4.178 -29.064 1.00 31.01 C ATOM 249 O LEU A 28 12.854 4.591 -28.479 1.00 61.31 O ATOM 250 CB LEU A 28 15.537 2.792 -27.837 1.00 31.34 C ATOM 251 CG LEU A 28 15.163 2.934 -26.361 1.00 35.01 C ATOM 252 CD1 LEU A 28 16.229 2.307 -25.477 1.00 4.23 C ATOM 253 CD2 LEU A 28 14.961 4.399 -26.000 1.00 65.34 C ATOM 0 H LEU A 28 15.785 1.945 -30.140 1.00 54.24 H new ATOM 0 HA LEU A 28 13.560 2.167 -28.404 1.00 42.34 H new ATOM 0 HB2 LEU A 28 16.114 1.875 -27.959 1.00 31.34 H new ATOM 0 HB3 LEU A 28 16.194 3.619 -28.106 1.00 31.34 H new ATOM 0 HG LEU A 28 14.224 2.406 -26.192 1.00 35.01 H new ATOM 0 HD11 LEU A 28 15.945 2.418 -24.430 1.00 4.23 H new ATOM 0 HD12 LEU A 28 16.324 1.248 -25.717 1.00 4.23 H new ATOM 0 HD13 LEU A 28 17.183 2.805 -25.649 1.00 4.23 H new ATOM 0 HD21 LEU A 28 14.695 4.481 -24.946 1.00 65.34 H new ATOM 0 HD22 LEU A 28 15.883 4.950 -26.186 1.00 65.34 H new ATOM 0 HD23 LEU A 28 14.160 4.817 -26.609 1.00 65.34 H new ATOM 265 N GLU A 29 14.545 4.916 -29.928 1.00 71.43 N ATOM 266 CA GLU A 29 14.155 6.285 -30.245 1.00 24.33 C ATOM 267 C GLU A 29 12.769 6.323 -30.880 1.00 74.34 C ATOM 268 O GLU A 29 11.964 7.206 -30.586 1.00 3.41 O ATOM 269 CB GLU A 29 15.178 6.925 -31.186 1.00 73.22 C ATOM 270 CG GLU A 29 15.442 8.392 -30.891 1.00 24.42 C ATOM 271 CD GLU A 29 16.917 8.742 -30.949 1.00 74.34 C ATOM 272 OE1 GLU A 29 17.361 9.573 -30.130 1.00 42.13 O ATOM 273 OE2 GLU A 29 17.625 8.185 -31.814 1.00 23.03 O ATOM 0 H GLU A 29 15.376 4.589 -30.421 1.00 71.43 H new ATOM 0 HA GLU A 29 14.124 6.852 -29.314 1.00 24.33 H new ATOM 0 HB2 GLU A 29 16.116 6.375 -31.117 1.00 73.22 H new ATOM 0 HB3 GLU A 29 14.826 6.827 -32.213 1.00 73.22 H new ATOM 0 HG2 GLU A 29 14.898 9.007 -31.608 1.00 24.42 H new ATOM 0 HG3 GLU A 29 15.053 8.636 -29.902 1.00 24.42 H new ATOM 280 N GLN A 30 12.498 5.358 -31.753 1.00 72.15 N ATOM 281 CA GLN A 30 11.209 5.282 -32.432 1.00 23.33 C ATOM 282 C GLN A 30 10.089 4.988 -31.440 1.00 74.40 C ATOM 283 O GLN A 30 9.043 5.638 -31.458 1.00 11.43 O ATOM 284 CB GLN A 30 11.243 4.203 -33.516 1.00 51.41 C ATOM 285 CG GLN A 30 11.131 4.756 -34.928 1.00 14.33 C ATOM 286 CD GLN A 30 12.028 4.032 -35.911 1.00 62.24 C ATOM 287 OE1 GLN A 30 12.315 2.845 -35.750 1.00 4.31 O ATOM 288 NE2 GLN A 30 12.477 4.743 -36.939 1.00 13.31 N ATOM 0 H GLN A 30 13.153 4.618 -32.007 1.00 72.15 H new ATOM 0 HA GLN A 30 11.013 6.248 -32.897 1.00 23.33 H new ATOM 0 HB2 GLN A 30 12.172 3.640 -33.428 1.00 51.41 H new ATOM 0 HB3 GLN A 30 10.427 3.501 -33.344 1.00 51.41 H new ATOM 0 HG2 GLN A 30 10.096 4.681 -35.263 1.00 14.33 H new ATOM 0 HG3 GLN A 30 11.387 5.815 -34.921 1.00 14.33 H new ATOM 0 HE21 GLN A 30 12.214 5.724 -37.034 1.00 13.31 H new ATOM 0 HE22 GLN A 30 13.084 4.308 -37.633 1.00 13.31 H new ATOM 297 N LEU A 31 10.313 4.004 -30.576 1.00 70.54 N ATOM 298 CA LEU A 31 9.322 3.622 -29.576 1.00 54.33 C ATOM 299 C LEU A 31 8.980 4.801 -28.671 1.00 41.50 C ATOM 300 O LEU A 31 7.820 5.202 -28.565 1.00 44.11 O ATOM 301 CB LEU A 31 9.839 2.453 -28.737 1.00 11.04 C ATOM 302 CG LEU A 31 9.373 1.061 -29.165 1.00 42.13 C ATOM 303 CD1 LEU A 31 10.275 -0.010 -28.571 1.00 51.15 C ATOM 304 CD2 LEU A 31 7.927 0.832 -28.752 1.00 54.02 C ATOM 0 H LEU A 31 11.173 3.456 -30.548 1.00 70.54 H new ATOM 0 HA LEU A 31 8.416 3.313 -30.098 1.00 54.33 H new ATOM 0 HB2 LEU A 31 10.929 2.471 -28.757 1.00 11.04 H new ATOM 0 HB3 LEU A 31 9.537 2.613 -27.702 1.00 11.04 H new ATOM 0 HG LEU A 31 9.434 0.997 -30.251 1.00 42.13 H new ATOM 0 HD11 LEU A 31 9.928 -0.994 -28.886 1.00 51.15 H new ATOM 0 HD12 LEU A 31 11.297 0.142 -28.917 1.00 51.15 H new ATOM 0 HD13 LEU A 31 10.247 0.053 -27.483 1.00 51.15 H new ATOM 0 HD21 LEU A 31 7.613 -0.164 -29.065 1.00 54.02 H new ATOM 0 HD22 LEU A 31 7.840 0.916 -27.669 1.00 54.02 H new ATOM 0 HD23 LEU A 31 7.291 1.579 -29.226 1.00 54.02 H new ATOM 316 N THR A 32 9.998 5.356 -28.020 1.00 64.13 N ATOM 317 CA THR A 32 9.807 6.490 -27.125 1.00 72.21 C ATOM 318 C THR A 32 9.091 7.635 -27.833 1.00 64.41 C ATOM 319 O THR A 32 8.146 8.212 -27.298 1.00 53.22 O ATOM 320 CB THR A 32 11.150 7.002 -26.573 1.00 2.55 C ATOM 321 OG1 THR A 32 11.980 5.897 -26.198 1.00 13.10 O ATOM 322 CG2 THR A 32 10.930 7.908 -25.370 1.00 44.44 C ATOM 0 H THR A 32 10.964 5.038 -28.096 1.00 64.13 H new ATOM 0 HA THR A 32 9.193 6.139 -26.296 1.00 72.21 H new ATOM 0 HB THR A 32 11.644 7.577 -27.357 1.00 2.55 H new ATOM 0 HG1 THR A 32 12.354 5.481 -27.003 1.00 13.10 H new ATOM 0 HG21 THR A 32 11.893 8.258 -24.997 1.00 44.44 H new ATOM 0 HG22 THR A 32 10.323 8.764 -25.665 1.00 44.44 H new ATOM 0 HG23 THR A 32 10.417 7.352 -24.585 1.00 44.44 H new ATOM 330 N GLU A 33 9.549 7.957 -29.039 1.00 30.21 N ATOM 331 CA GLU A 33 8.951 9.034 -29.819 1.00 61.35 C ATOM 332 C GLU A 33 7.446 8.830 -29.964 1.00 13.13 C ATOM 333 O GLU A 33 6.653 9.703 -29.609 1.00 21.23 O ATOM 334 CB GLU A 33 9.601 9.113 -31.202 1.00 70.45 C ATOM 335 CG GLU A 33 9.114 10.285 -32.038 1.00 30.32 C ATOM 336 CD GLU A 33 9.837 10.394 -33.366 1.00 53.43 C ATOM 337 OE1 GLU A 33 9.292 9.908 -34.379 1.00 71.33 O ATOM 338 OE2 GLU A 33 10.946 10.966 -33.393 1.00 44.23 O ATOM 0 H GLU A 33 10.331 7.488 -29.496 1.00 30.21 H new ATOM 0 HA GLU A 33 9.124 9.971 -29.289 1.00 61.35 H new ATOM 0 HB2 GLU A 33 10.682 9.187 -31.082 1.00 70.45 H new ATOM 0 HB3 GLU A 33 9.403 8.186 -31.741 1.00 70.45 H new ATOM 0 HG2 GLU A 33 8.044 10.178 -32.219 1.00 30.32 H new ATOM 0 HG3 GLU A 33 9.252 11.209 -31.477 1.00 30.32 H new ATOM 345 N PHE A 34 7.059 7.672 -30.488 1.00 33.23 N ATOM 346 CA PHE A 34 5.649 7.353 -30.681 1.00 11.10 C ATOM 347 C PHE A 34 4.876 7.492 -29.373 1.00 14.31 C ATOM 348 O PHE A 34 3.787 8.067 -29.340 1.00 70.43 O ATOM 349 CB PHE A 34 5.496 5.933 -31.228 1.00 73.53 C ATOM 350 CG PHE A 34 5.169 5.887 -32.694 1.00 32.34 C ATOM 351 CD1 PHE A 34 3.930 6.304 -33.154 1.00 65.01 C ATOM 352 CD2 PHE A 34 6.100 5.426 -33.610 1.00 71.25 C ATOM 353 CE1 PHE A 34 3.627 6.263 -34.502 1.00 15.51 C ATOM 354 CE2 PHE A 34 5.802 5.383 -34.959 1.00 52.54 C ATOM 355 CZ PHE A 34 4.563 5.802 -35.405 1.00 62.45 C ATOM 0 H PHE A 34 7.702 6.939 -30.787 1.00 33.23 H new ATOM 0 HA PHE A 34 5.238 8.059 -31.402 1.00 11.10 H new ATOM 0 HB2 PHE A 34 6.421 5.383 -31.053 1.00 73.53 H new ATOM 0 HB3 PHE A 34 4.710 5.421 -30.672 1.00 73.53 H new ATOM 0 HD1 PHE A 34 3.193 6.665 -32.452 1.00 65.01 H new ATOM 0 HD2 PHE A 34 7.069 5.097 -33.266 1.00 71.25 H new ATOM 0 HE1 PHE A 34 2.658 6.592 -34.848 1.00 15.51 H new ATOM 0 HE2 PHE A 34 6.537 5.022 -35.664 1.00 52.54 H new ATOM 0 HZ PHE A 34 4.328 5.769 -36.459 1.00 62.45 H new ATOM 365 N PHE A 35 5.446 6.962 -28.296 1.00 51.11 N ATOM 366 CA PHE A 35 4.810 7.025 -26.985 1.00 45.11 C ATOM 367 C PHE A 35 4.479 8.467 -26.610 1.00 74.43 C ATOM 368 O PHE A 35 3.317 8.811 -26.393 1.00 51.12 O ATOM 369 CB PHE A 35 5.722 6.407 -25.923 1.00 10.12 C ATOM 370 CG PHE A 35 5.387 4.978 -25.603 1.00 51.23 C ATOM 371 CD1 PHE A 35 4.184 4.654 -24.998 1.00 33.41 C ATOM 372 CD2 PHE A 35 6.276 3.960 -25.908 1.00 33.32 C ATOM 373 CE1 PHE A 35 3.872 3.340 -24.703 1.00 21.32 C ATOM 374 CE2 PHE A 35 5.969 2.644 -25.616 1.00 4.14 C ATOM 375 CZ PHE A 35 4.767 2.334 -25.011 1.00 73.22 C ATOM 0 H PHE A 35 6.347 6.484 -28.305 1.00 51.11 H new ATOM 0 HA PHE A 35 3.881 6.458 -27.032 1.00 45.11 H new ATOM 0 HB2 PHE A 35 6.755 6.461 -26.266 1.00 10.12 H new ATOM 0 HB3 PHE A 35 5.658 7.000 -25.011 1.00 10.12 H new ATOM 0 HD1 PHE A 35 3.481 5.437 -24.754 1.00 33.41 H new ATOM 0 HD2 PHE A 35 7.219 4.197 -26.379 1.00 33.32 H new ATOM 0 HE1 PHE A 35 2.930 3.100 -24.232 1.00 21.32 H new ATOM 0 HE2 PHE A 35 6.669 1.859 -25.861 1.00 4.14 H new ATOM 0 HZ PHE A 35 4.527 1.307 -24.779 1.00 73.22 H new ATOM 385 N SER A 36 5.508 9.304 -26.536 1.00 11.32 N ATOM 386 CA SER A 36 5.327 10.708 -26.183 1.00 63.31 C ATOM 387 C SER A 36 4.338 11.382 -27.128 1.00 51.53 C ATOM 388 O SER A 36 3.532 12.215 -26.712 1.00 42.31 O ATOM 389 CB SER A 36 6.669 11.442 -26.222 1.00 31.12 C ATOM 390 OG SER A 36 7.602 10.846 -25.337 1.00 50.21 O ATOM 0 H SER A 36 6.475 9.035 -26.716 1.00 11.32 H new ATOM 0 HA SER A 36 4.925 10.754 -25.171 1.00 63.31 H new ATOM 0 HB2 SER A 36 7.066 11.428 -27.237 1.00 31.12 H new ATOM 0 HB3 SER A 36 6.523 12.488 -25.951 1.00 31.12 H new ATOM 0 HG SER A 36 8.452 11.332 -25.382 1.00 50.21 H new ATOM 396 N LYS A 37 4.405 11.017 -28.404 1.00 32.10 N ATOM 397 CA LYS A 37 3.516 11.584 -29.411 1.00 14.14 C ATOM 398 C LYS A 37 2.057 11.282 -29.081 1.00 3.24 C ATOM 399 O LYS A 37 1.175 12.111 -29.306 1.00 11.33 O ATOM 400 CB LYS A 37 3.861 11.032 -30.795 1.00 60.14 C ATOM 401 CG LYS A 37 3.880 12.090 -31.885 1.00 10.01 C ATOM 402 CD LYS A 37 3.035 11.677 -33.078 1.00 63.34 C ATOM 403 CE LYS A 37 3.813 10.777 -34.027 1.00 41.51 C ATOM 404 NZ LYS A 37 3.606 11.162 -35.451 1.00 34.22 N ATOM 0 H LYS A 37 5.067 10.330 -28.765 1.00 32.10 H new ATOM 0 HA LYS A 37 3.654 12.665 -29.413 1.00 14.14 H new ATOM 0 HB2 LYS A 37 4.838 10.550 -30.751 1.00 60.14 H new ATOM 0 HB3 LYS A 37 3.137 10.262 -31.061 1.00 60.14 H new ATOM 0 HG2 LYS A 37 3.509 13.033 -31.484 1.00 10.01 H new ATOM 0 HG3 LYS A 37 4.907 12.263 -32.208 1.00 10.01 H new ATOM 0 HD2 LYS A 37 2.143 11.156 -32.730 1.00 63.34 H new ATOM 0 HD3 LYS A 37 2.698 12.566 -33.612 1.00 63.34 H new ATOM 0 HE2 LYS A 37 4.875 10.828 -33.788 1.00 41.51 H new ATOM 0 HE3 LYS A 37 3.503 9.742 -33.882 1.00 41.51 H new ATOM 0 HZ1 LYS A 37 4.152 10.525 -36.066 1.00 34.22 H new ATOM 0 HZ2 LYS A 37 2.596 11.089 -35.687 1.00 34.22 H new ATOM 0 HZ3 LYS A 37 3.925 12.141 -35.596 1.00 34.22 H new ATOM 418 N HIS A 38 1.811 10.091 -28.545 1.00 12.04 N ATOM 419 CA HIS A 38 0.459 9.681 -28.181 1.00 50.04 C ATOM 420 C HIS A 38 0.474 8.803 -26.934 1.00 2.35 C ATOM 421 O HIS A 38 0.980 7.682 -26.957 1.00 74.03 O ATOM 422 CB HIS A 38 -0.197 8.929 -29.340 1.00 11.21 C ATOM 423 CG HIS A 38 -1.685 9.089 -29.391 1.00 35.51 C ATOM 424 ND1 HIS A 38 -2.558 8.022 -29.348 1.00 75.03 N ATOM 425 CD2 HIS A 38 -2.454 10.199 -29.480 1.00 35.14 C ATOM 426 CE1 HIS A 38 -3.800 8.469 -29.410 1.00 41.35 C ATOM 427 NE2 HIS A 38 -3.764 9.787 -29.490 1.00 55.22 N ATOM 0 H HIS A 38 2.530 9.393 -28.353 1.00 12.04 H new ATOM 0 HA HIS A 38 -0.120 10.579 -27.964 1.00 50.04 H new ATOM 0 HB2 HIS A 38 0.230 9.281 -30.279 1.00 11.21 H new ATOM 0 HB3 HIS A 38 0.044 7.869 -29.257 1.00 11.21 H new ATOM 0 HD2 HIS A 38 -2.103 11.219 -29.533 1.00 35.14 H new ATOM 0 HE1 HIS A 38 -4.692 7.861 -29.397 1.00 41.35 H new ATOM 0 HE2 HIS A 38 -4.577 10.400 -29.550 1.00 55.22 H new ATOM 435 N GLY A 39 -0.083 9.323 -25.844 1.00 21.45 N ATOM 436 CA GLY A 39 -0.122 8.573 -24.601 1.00 43.24 C ATOM 437 C GLY A 39 0.993 8.966 -23.652 1.00 51.12 C ATOM 438 O GLY A 39 2.110 9.260 -24.080 1.00 74.25 O ATOM 0 H GLY A 39 -0.508 10.249 -25.799 1.00 21.45 H new ATOM 0 HA2 GLY A 39 -1.084 8.733 -24.113 1.00 43.24 H new ATOM 0 HA3 GLY A 39 -0.050 7.508 -24.820 1.00 43.24 H new ATOM 442 N THR A 40 0.691 8.974 -22.358 1.00 33.35 N ATOM 443 CA THR A 40 1.674 9.336 -21.345 1.00 43.21 C ATOM 444 C THR A 40 2.095 8.121 -20.527 1.00 62.32 C ATOM 445 O THR A 40 1.291 7.545 -19.794 1.00 24.41 O ATOM 446 CB THR A 40 1.128 10.417 -20.393 1.00 44.33 C ATOM 447 OG1 THR A 40 0.707 11.562 -21.143 1.00 14.23 O ATOM 448 CG2 THR A 40 2.185 10.830 -19.380 1.00 22.53 C ATOM 0 H THR A 40 -0.228 8.734 -21.986 1.00 33.35 H new ATOM 0 HA THR A 40 2.541 9.732 -21.874 1.00 43.21 H new ATOM 0 HB THR A 40 0.276 10.000 -19.856 1.00 44.33 H new ATOM 0 HG1 THR A 40 0.360 12.244 -20.531 1.00 14.23 H new ATOM 0 HG21 THR A 40 1.776 11.594 -18.719 1.00 22.53 H new ATOM 0 HG22 THR A 40 2.483 9.963 -18.791 1.00 22.53 H new ATOM 0 HG23 THR A 40 3.054 11.230 -19.903 1.00 22.53 H new ATOM 456 N VAL A 41 3.361 7.735 -20.657 1.00 53.10 N ATOM 457 CA VAL A 41 3.889 6.588 -19.928 1.00 41.30 C ATOM 458 C VAL A 41 5.066 6.992 -19.047 1.00 31.01 C ATOM 459 O VAL A 41 5.871 7.843 -19.423 1.00 25.12 O ATOM 460 CB VAL A 41 4.340 5.472 -20.889 1.00 4.14 C ATOM 461 CG1 VAL A 41 3.136 4.804 -21.534 1.00 61.41 C ATOM 462 CG2 VAL A 41 5.282 6.028 -21.946 1.00 2.11 C ATOM 0 H VAL A 41 4.039 8.200 -21.260 1.00 53.10 H new ATOM 0 HA VAL A 41 3.081 6.212 -19.300 1.00 41.30 H new ATOM 0 HB VAL A 41 4.879 4.718 -20.315 1.00 4.14 H new ATOM 0 HG11 VAL A 41 3.474 4.018 -22.210 1.00 61.41 H new ATOM 0 HG12 VAL A 41 2.503 4.370 -20.760 1.00 61.41 H new ATOM 0 HG13 VAL A 41 2.566 5.545 -22.095 1.00 61.41 H new ATOM 0 HG21 VAL A 41 5.591 5.226 -22.616 1.00 2.11 H new ATOM 0 HG22 VAL A 41 4.771 6.802 -22.518 1.00 2.11 H new ATOM 0 HG23 VAL A 41 6.161 6.455 -21.462 1.00 2.11 H new ATOM 472 N GLN A 42 5.158 6.375 -17.873 1.00 63.03 N ATOM 473 CA GLN A 42 6.237 6.671 -16.938 1.00 63.32 C ATOM 474 C GLN A 42 7.549 6.048 -17.406 1.00 12.50 C ATOM 475 O GLN A 42 8.543 6.747 -17.603 1.00 32.31 O ATOM 476 CB GLN A 42 5.885 6.157 -15.541 1.00 70.12 C ATOM 477 CG GLN A 42 6.512 6.968 -14.419 1.00 24.43 C ATOM 478 CD GLN A 42 6.925 6.109 -13.239 1.00 12.40 C ATOM 479 OE1 GLN A 42 6.260 6.098 -12.202 1.00 44.23 O ATOM 480 NE2 GLN A 42 8.026 5.384 -13.391 1.00 25.21 N ATOM 0 H GLN A 42 4.499 5.668 -17.547 1.00 63.03 H new ATOM 0 HA GLN A 42 6.363 7.753 -16.898 1.00 63.32 H new ATOM 0 HB2 GLN A 42 4.802 6.165 -15.422 1.00 70.12 H new ATOM 0 HB3 GLN A 42 6.208 5.120 -15.453 1.00 70.12 H new ATOM 0 HG2 GLN A 42 7.385 7.497 -14.802 1.00 24.43 H new ATOM 0 HG3 GLN A 42 5.803 7.725 -14.083 1.00 24.43 H new ATOM 0 HE21 GLN A 42 8.546 5.424 -14.268 1.00 25.21 H new ATOM 0 HE22 GLN A 42 8.352 4.787 -12.631 1.00 25.21 H new ATOM 489 N ALA A 43 7.544 4.731 -17.582 1.00 14.15 N ATOM 490 CA ALA A 43 8.732 4.015 -18.028 1.00 3.23 C ATOM 491 C ALA A 43 8.361 2.688 -18.680 1.00 22.43 C ATOM 492 O ALA A 43 7.211 2.254 -18.617 1.00 73.04 O ATOM 493 CB ALA A 43 9.679 3.785 -16.859 1.00 43.03 C ATOM 0 H ALA A 43 6.730 4.138 -17.422 1.00 14.15 H new ATOM 0 HA ALA A 43 9.236 4.628 -18.775 1.00 3.23 H new ATOM 0 HB1 ALA A 43 10.562 3.249 -17.206 1.00 43.03 H new ATOM 0 HB2 ALA A 43 9.979 4.745 -16.439 1.00 43.03 H new ATOM 0 HB3 ALA A 43 9.175 3.196 -16.093 1.00 43.03 H new ATOM 499 N VAL A 44 9.343 2.046 -19.306 1.00 52.41 N ATOM 500 CA VAL A 44 9.119 0.768 -19.970 1.00 22.43 C ATOM 501 C VAL A 44 10.353 -0.123 -19.876 1.00 71.14 C ATOM 502 O VAL A 44 11.484 0.361 -19.904 1.00 42.54 O ATOM 503 CB VAL A 44 8.751 0.962 -21.453 1.00 34.44 C ATOM 504 CG1 VAL A 44 9.867 1.686 -22.190 1.00 35.10 C ATOM 505 CG2 VAL A 44 8.451 -0.379 -22.106 1.00 53.23 C ATOM 0 H VAL A 44 10.301 2.391 -19.367 1.00 52.41 H new ATOM 0 HA VAL A 44 8.286 0.287 -19.457 1.00 22.43 H new ATOM 0 HB VAL A 44 7.853 1.577 -21.510 1.00 34.44 H new ATOM 0 HG11 VAL A 44 9.589 1.814 -23.236 1.00 35.10 H new ATOM 0 HG12 VAL A 44 10.029 2.663 -21.735 1.00 35.10 H new ATOM 0 HG13 VAL A 44 10.784 1.100 -22.127 1.00 35.10 H new ATOM 0 HG21 VAL A 44 8.193 -0.224 -23.154 1.00 53.23 H new ATOM 0 HG22 VAL A 44 9.330 -1.021 -22.040 1.00 53.23 H new ATOM 0 HG23 VAL A 44 7.615 -0.855 -21.593 1.00 53.23 H new ATOM 515 N TRP A 45 10.127 -1.427 -19.766 1.00 20.12 N ATOM 516 CA TRP A 45 11.221 -2.387 -19.669 1.00 3.42 C ATOM 517 C TRP A 45 10.747 -3.791 -20.027 1.00 2.22 C ATOM 518 O TRP A 45 9.551 -4.028 -20.194 1.00 32.23 O ATOM 519 CB TRP A 45 11.811 -2.378 -18.257 1.00 74.24 C ATOM 520 CG TRP A 45 12.919 -1.385 -18.082 1.00 41.25 C ATOM 521 CD1 TRP A 45 12.975 -0.371 -17.169 1.00 31.44 C ATOM 522 CD2 TRP A 45 14.130 -1.309 -18.843 1.00 31.12 C ATOM 523 NE1 TRP A 45 14.147 0.330 -17.315 1.00 65.31 N ATOM 524 CE2 TRP A 45 14.874 -0.226 -18.335 1.00 31.12 C ATOM 525 CE3 TRP A 45 14.659 -2.052 -19.902 1.00 0.23 C ATOM 526 CZ2 TRP A 45 16.117 0.130 -18.852 1.00 15.44 C ATOM 527 CZ3 TRP A 45 15.892 -1.696 -20.414 1.00 24.44 C ATOM 528 CH2 TRP A 45 16.610 -0.614 -19.888 1.00 45.12 C ATOM 0 H TRP A 45 9.196 -1.844 -19.742 1.00 20.12 H new ATOM 0 HA TRP A 45 11.993 -2.093 -20.380 1.00 3.42 H new ATOM 0 HB2 TRP A 45 11.019 -2.157 -17.542 1.00 74.24 H new ATOM 0 HB3 TRP A 45 12.185 -3.374 -18.021 1.00 74.24 H new ATOM 0 HD1 TRP A 45 12.210 -0.152 -16.439 1.00 31.44 H new ATOM 0 HE1 TRP A 45 14.430 1.134 -16.755 1.00 65.31 H new ATOM 0 HE3 TRP A 45 14.114 -2.889 -20.313 1.00 0.23 H new ATOM 0 HZ2 TRP A 45 16.672 0.964 -18.449 1.00 15.44 H new ATOM 0 HZ3 TRP A 45 16.310 -2.262 -21.234 1.00 24.44 H new ATOM 0 HH2 TRP A 45 17.572 -0.363 -20.309 1.00 45.12 H new ATOM 539 N ARG A 46 11.692 -4.718 -20.143 1.00 22.10 N ATOM 540 CA ARG A 46 11.370 -6.099 -20.482 1.00 40.12 C ATOM 541 C ARG A 46 12.516 -7.033 -20.105 1.00 62.02 C ATOM 542 O ARG A 46 13.688 -6.679 -20.238 1.00 12.13 O ATOM 543 CB ARG A 46 11.068 -6.222 -21.977 1.00 21.22 C ATOM 544 CG ARG A 46 12.210 -5.763 -22.869 1.00 21.23 C ATOM 545 CD ARG A 46 12.107 -4.280 -23.187 1.00 10.34 C ATOM 546 NE ARG A 46 11.642 -4.043 -24.551 1.00 24.22 N ATOM 547 CZ ARG A 46 12.424 -4.141 -25.621 1.00 11.24 C ATOM 548 NH1 ARG A 46 13.701 -4.469 -25.485 1.00 3.12 N ATOM 549 NH2 ARG A 46 11.928 -3.911 -26.829 1.00 54.55 N ATOM 0 H ARG A 46 12.687 -4.538 -20.007 1.00 22.10 H new ATOM 0 HA ARG A 46 10.486 -6.390 -19.914 1.00 40.12 H new ATOM 0 HB2 ARG A 46 10.833 -7.261 -22.207 1.00 21.22 H new ATOM 0 HB3 ARG A 46 10.179 -5.636 -22.209 1.00 21.22 H new ATOM 0 HG2 ARG A 46 13.161 -5.965 -22.377 1.00 21.23 H new ATOM 0 HG3 ARG A 46 12.202 -6.336 -23.796 1.00 21.23 H new ATOM 0 HD2 ARG A 46 11.423 -3.805 -22.483 1.00 10.34 H new ATOM 0 HD3 ARG A 46 13.082 -3.811 -23.050 1.00 10.34 H new ATOM 0 HE ARG A 46 10.664 -3.788 -24.690 1.00 24.22 H new ATOM 0 HH11 ARG A 46 14.086 -4.647 -24.557 1.00 3.12 H new ATOM 0 HH12 ARG A 46 14.299 -4.544 -26.308 1.00 3.12 H new ATOM 0 HH21 ARG A 46 10.946 -3.659 -26.937 1.00 54.55 H new ATOM 0 HH22 ARG A 46 12.529 -3.986 -27.650 1.00 54.55 H new ATOM 563 N ARG A 47 12.170 -8.227 -19.635 1.00 15.45 N ATOM 564 CA ARG A 47 13.169 -9.211 -19.237 1.00 10.43 C ATOM 565 C ARG A 47 12.654 -10.629 -19.460 1.00 60.53 C ATOM 566 O ARG A 47 11.446 -10.868 -19.471 1.00 2.01 O ATOM 567 CB ARG A 47 13.547 -9.020 -17.767 1.00 12.44 C ATOM 568 CG ARG A 47 12.462 -9.458 -16.797 1.00 34.21 C ATOM 569 CD ARG A 47 12.089 -8.341 -15.835 1.00 40.32 C ATOM 570 NE ARG A 47 11.590 -8.857 -14.563 1.00 40.34 N ATOM 571 CZ ARG A 47 11.560 -8.145 -13.442 1.00 54.45 C ATOM 572 NH1 ARG A 47 11.997 -6.893 -13.436 1.00 54.24 N ATOM 573 NH2 ARG A 47 11.091 -8.684 -12.325 1.00 33.34 N ATOM 0 H ARG A 47 11.205 -8.536 -19.521 1.00 15.45 H new ATOM 0 HA ARG A 47 14.054 -9.063 -19.855 1.00 10.43 H new ATOM 0 HB2 ARG A 47 14.457 -9.582 -17.559 1.00 12.44 H new ATOM 0 HB3 ARG A 47 13.775 -7.968 -17.593 1.00 12.44 H new ATOM 0 HG2 ARG A 47 11.579 -9.769 -17.354 1.00 34.21 H new ATOM 0 HG3 ARG A 47 12.805 -10.325 -16.233 1.00 34.21 H new ATOM 0 HD2 ARG A 47 12.961 -7.712 -15.654 1.00 40.32 H new ATOM 0 HD3 ARG A 47 11.329 -7.708 -16.292 1.00 40.32 H new ATOM 0 HE ARG A 47 11.246 -9.817 -14.534 1.00 40.34 H new ATOM 0 HH11 ARG A 47 12.357 -6.474 -14.294 1.00 54.24 H new ATOM 0 HH12 ARG A 47 11.973 -6.349 -12.574 1.00 54.24 H new ATOM 0 HH21 ARG A 47 10.753 -9.646 -12.326 1.00 33.34 H new ATOM 0 HH22 ARG A 47 11.068 -8.136 -11.465 1.00 33.34 H new ATOM 587 N TYR A 48 13.578 -11.567 -19.639 1.00 72.03 N ATOM 588 CA TYR A 48 13.218 -12.962 -19.866 1.00 14.42 C ATOM 589 C TYR A 48 14.230 -13.899 -19.214 1.00 11.40 C ATOM 590 O TYR A 48 15.432 -13.803 -19.463 1.00 71.21 O ATOM 591 CB TYR A 48 13.130 -13.251 -21.365 1.00 44.43 C ATOM 592 CG TYR A 48 14.298 -12.704 -22.156 1.00 74.32 C ATOM 593 CD1 TYR A 48 15.408 -13.494 -22.428 1.00 22.14 C ATOM 594 CD2 TYR A 48 14.291 -11.399 -22.631 1.00 15.31 C ATOM 595 CE1 TYR A 48 16.477 -12.999 -23.149 1.00 64.32 C ATOM 596 CE2 TYR A 48 15.354 -10.896 -23.355 1.00 4.05 C ATOM 597 CZ TYR A 48 16.446 -11.700 -23.611 1.00 15.12 C ATOM 598 OH TYR A 48 17.508 -11.202 -24.330 1.00 60.40 O ATOM 0 H TYR A 48 14.582 -11.387 -19.631 1.00 72.03 H new ATOM 0 HA TYR A 48 12.243 -13.137 -19.412 1.00 14.42 H new ATOM 0 HB2 TYR A 48 13.072 -14.329 -21.516 1.00 44.43 H new ATOM 0 HB3 TYR A 48 12.206 -12.825 -21.755 1.00 44.43 H new ATOM 0 HD1 TYR A 48 15.435 -14.512 -22.070 1.00 22.14 H new ATOM 0 HD2 TYR A 48 13.439 -10.766 -22.431 1.00 15.31 H new ATOM 0 HE1 TYR A 48 17.333 -13.626 -23.350 1.00 64.32 H new ATOM 0 HE2 TYR A 48 15.331 -9.879 -23.719 1.00 4.05 H new ATOM 0 HH TYR A 48 17.326 -10.272 -24.581 1.00 60.40 H new ATOM 608 N PHE A 49 13.734 -14.805 -18.378 1.00 5.22 N ATOM 609 CA PHE A 49 14.594 -15.760 -17.689 1.00 22.12 C ATOM 610 C PHE A 49 14.859 -16.983 -18.563 1.00 11.42 C ATOM 611 O PHE A 49 13.929 -17.663 -18.995 1.00 30.25 O ATOM 612 CB PHE A 49 13.956 -16.193 -16.367 1.00 54.43 C ATOM 613 CG PHE A 49 14.614 -15.592 -15.158 1.00 64.34 C ATOM 614 CD1 PHE A 49 15.823 -16.087 -14.694 1.00 54.22 C ATOM 615 CD2 PHE A 49 14.025 -14.534 -14.486 1.00 1.12 C ATOM 616 CE1 PHE A 49 16.432 -15.536 -13.582 1.00 72.42 C ATOM 617 CE2 PHE A 49 14.630 -13.979 -13.374 1.00 33.34 C ATOM 618 CZ PHE A 49 15.834 -14.482 -12.920 1.00 52.05 C ATOM 0 H PHE A 49 12.742 -14.898 -18.161 1.00 5.22 H new ATOM 0 HA PHE A 49 15.545 -15.270 -17.482 1.00 22.12 H new ATOM 0 HB2 PHE A 49 12.902 -15.915 -16.373 1.00 54.43 H new ATOM 0 HB3 PHE A 49 13.998 -17.280 -16.291 1.00 54.43 H new ATOM 0 HD1 PHE A 49 16.294 -16.912 -15.207 1.00 54.22 H new ATOM 0 HD2 PHE A 49 13.083 -14.138 -14.835 1.00 1.12 H new ATOM 0 HE1 PHE A 49 17.375 -15.930 -13.231 1.00 72.42 H new ATOM 0 HE2 PHE A 49 14.162 -13.152 -12.860 1.00 33.34 H new ATOM 0 HZ PHE A 49 16.306 -14.052 -12.049 1.00 52.05 H new ATOM 628 N ALA A 50 16.134 -17.254 -18.820 1.00 3.13 N ATOM 629 CA ALA A 50 16.522 -18.394 -19.640 1.00 64.25 C ATOM 630 C ALA A 50 16.405 -19.698 -18.859 1.00 60.40 C ATOM 631 O ALA A 50 16.141 -20.755 -19.432 1.00 3.14 O ATOM 632 CB ALA A 50 17.941 -18.213 -20.159 1.00 5.05 C ATOM 0 H ALA A 50 16.916 -16.699 -18.472 1.00 3.13 H new ATOM 0 HA ALA A 50 15.840 -18.447 -20.489 1.00 64.25 H new ATOM 0 HB1 ALA A 50 18.217 -19.072 -20.770 1.00 5.05 H new ATOM 0 HB2 ALA A 50 17.995 -17.307 -20.762 1.00 5.05 H new ATOM 0 HB3 ALA A 50 18.629 -18.130 -19.317 1.00 5.05 H new ATOM 638 N GLY A 51 16.603 -19.617 -17.547 1.00 5.22 N ATOM 639 CA GLY A 51 16.516 -20.798 -16.709 1.00 24.35 C ATOM 640 C GLY A 51 17.832 -21.547 -16.623 1.00 11.53 C ATOM 641 O GLY A 51 18.294 -22.121 -17.609 1.00 32.02 O ATOM 0 H GLY A 51 16.822 -18.754 -17.049 1.00 5.22 H new ATOM 0 HA2 GLY A 51 16.202 -20.506 -15.707 1.00 24.35 H new ATOM 0 HA3 GLY A 51 15.748 -21.463 -17.103 1.00 24.35 H new ATOM 645 N LYS A 52 18.439 -21.539 -15.441 1.00 32.42 N ATOM 646 CA LYS A 52 19.710 -22.222 -15.229 1.00 13.14 C ATOM 647 C LYS A 52 19.702 -22.987 -13.909 1.00 65.42 C ATOM 648 O LYS A 52 20.605 -22.835 -13.086 1.00 2.00 O ATOM 649 CB LYS A 52 20.861 -21.214 -15.239 1.00 63.14 C ATOM 650 CG LYS A 52 22.232 -21.858 -15.360 1.00 12.14 C ATOM 651 CD LYS A 52 22.944 -21.421 -16.629 1.00 13.01 C ATOM 652 CE LYS A 52 24.429 -21.745 -16.575 1.00 11.24 C ATOM 653 NZ LYS A 52 24.710 -23.137 -17.022 1.00 34.35 N ATOM 0 H LYS A 52 18.071 -21.067 -14.615 1.00 32.42 H new ATOM 0 HA LYS A 52 19.852 -22.935 -16.041 1.00 13.14 H new ATOM 0 HB2 LYS A 52 20.719 -20.522 -16.069 1.00 63.14 H new ATOM 0 HB3 LYS A 52 20.825 -20.625 -14.323 1.00 63.14 H new ATOM 0 HG2 LYS A 52 22.837 -21.593 -14.493 1.00 12.14 H new ATOM 0 HG3 LYS A 52 22.127 -22.943 -15.356 1.00 12.14 H new ATOM 0 HD2 LYS A 52 22.494 -21.916 -17.489 1.00 13.01 H new ATOM 0 HD3 LYS A 52 22.809 -20.349 -16.772 1.00 13.01 H new ATOM 0 HE2 LYS A 52 24.977 -21.044 -17.205 1.00 11.24 H new ATOM 0 HE3 LYS A 52 24.793 -21.610 -15.557 1.00 11.24 H new ATOM 0 HZ1 LYS A 52 25.733 -23.318 -16.970 1.00 34.35 H new ATOM 0 HZ2 LYS A 52 24.208 -23.808 -16.406 1.00 34.35 H new ATOM 0 HZ3 LYS A 52 24.386 -23.259 -18.003 1.00 34.35 H new ATOM 667 N LYS A 53 18.679 -23.812 -13.715 1.00 21.23 N ATOM 668 CA LYS A 53 18.555 -24.604 -12.497 1.00 22.41 C ATOM 669 C LYS A 53 17.817 -25.911 -12.771 1.00 23.15 C ATOM 670 O LYS A 53 17.321 -26.135 -13.875 1.00 24.32 O ATOM 671 CB LYS A 53 17.819 -23.807 -11.418 1.00 0.01 C ATOM 672 CG LYS A 53 16.513 -23.196 -11.897 1.00 65.42 C ATOM 673 CD LYS A 53 16.527 -21.682 -11.771 1.00 74.23 C ATOM 674 CE LYS A 53 15.696 -21.025 -12.863 1.00 43.10 C ATOM 675 NZ LYS A 53 15.459 -19.581 -12.586 1.00 62.11 N ATOM 0 H LYS A 53 17.923 -23.950 -14.386 1.00 21.23 H new ATOM 0 HA LYS A 53 19.559 -24.841 -12.144 1.00 22.41 H new ATOM 0 HB2 LYS A 53 17.615 -24.461 -10.571 1.00 0.01 H new ATOM 0 HB3 LYS A 53 18.471 -23.012 -11.057 1.00 0.01 H new ATOM 0 HG2 LYS A 53 16.340 -23.474 -12.937 1.00 65.42 H new ATOM 0 HG3 LYS A 53 15.685 -23.603 -11.316 1.00 65.42 H new ATOM 0 HD2 LYS A 53 16.140 -21.393 -10.794 1.00 74.23 H new ATOM 0 HD3 LYS A 53 17.554 -21.321 -11.826 1.00 74.23 H new ATOM 0 HE2 LYS A 53 16.205 -21.132 -13.821 1.00 43.10 H new ATOM 0 HE3 LYS A 53 14.739 -21.540 -12.951 1.00 43.10 H new ATOM 0 HZ1 LYS A 53 14.889 -19.169 -13.353 1.00 62.11 H new ATOM 0 HZ2 LYS A 53 14.951 -19.479 -11.684 1.00 62.11 H new ATOM 0 HZ3 LYS A 53 16.371 -19.085 -12.527 1.00 62.11 H new ATOM 689 N ASP A 54 17.747 -26.769 -11.759 1.00 4.35 N ATOM 690 CA ASP A 54 17.067 -28.052 -11.890 1.00 25.25 C ATOM 691 C ASP A 54 15.641 -27.969 -11.355 1.00 3.43 C ATOM 692 O ASP A 54 15.084 -28.961 -10.887 1.00 62.31 O ATOM 693 CB ASP A 54 17.841 -29.142 -11.146 1.00 4.33 C ATOM 694 CG ASP A 54 17.857 -30.457 -11.899 1.00 30.42 C ATOM 695 OD1 ASP A 54 17.175 -31.405 -11.453 1.00 42.55 O ATOM 696 OD2 ASP A 54 18.550 -30.540 -12.934 1.00 42.20 O ATOM 0 H ASP A 54 18.153 -26.599 -10.839 1.00 4.35 H new ATOM 0 HA ASP A 54 17.024 -28.306 -12.949 1.00 25.25 H new ATOM 0 HB2 ASP A 54 18.866 -28.808 -10.982 1.00 4.33 H new ATOM 0 HB3 ASP A 54 17.394 -29.295 -10.164 1.00 4.33 H new ATOM 701 N ALA A 55 15.057 -26.777 -11.426 1.00 73.22 N ATOM 702 CA ALA A 55 13.696 -26.564 -10.950 1.00 74.42 C ATOM 703 C ALA A 55 12.764 -26.194 -12.099 1.00 51.11 C ATOM 704 O ALA A 55 13.197 -25.760 -13.166 1.00 45.45 O ATOM 705 CB ALA A 55 13.674 -25.483 -9.881 1.00 13.45 C ATOM 0 H ALA A 55 15.505 -25.944 -11.809 1.00 73.22 H new ATOM 0 HA ALA A 55 13.340 -27.497 -10.514 1.00 74.42 H new ATOM 0 HB1 ALA A 55 12.651 -25.334 -9.535 1.00 13.45 H new ATOM 0 HB2 ALA A 55 14.300 -25.788 -9.043 1.00 13.45 H new ATOM 0 HB3 ALA A 55 14.055 -24.551 -10.298 1.00 13.45 H new ATOM 711 N PRO A 56 11.452 -26.369 -11.879 1.00 25.14 N ATOM 712 CA PRO A 56 10.432 -26.059 -12.885 1.00 23.24 C ATOM 713 C PRO A 56 10.291 -24.560 -13.125 1.00 4.14 C ATOM 714 O PRO A 56 10.809 -23.735 -12.372 1.00 4.14 O ATOM 715 CB PRO A 56 9.148 -26.626 -12.274 1.00 2.12 C ATOM 716 CG PRO A 56 9.394 -26.622 -10.805 1.00 30.45 C ATOM 717 CD PRO A 56 10.865 -26.883 -10.630 1.00 54.30 C ATOM 0 HA PRO A 56 10.679 -26.480 -13.859 1.00 23.24 H new ATOM 0 HB2 PRO A 56 8.283 -26.015 -12.532 1.00 2.12 H new ATOM 0 HB3 PRO A 56 8.947 -27.633 -12.639 1.00 2.12 H new ATOM 0 HG2 PRO A 56 9.112 -25.665 -10.365 1.00 30.45 H new ATOM 0 HG3 PRO A 56 8.800 -27.389 -10.308 1.00 30.45 H new ATOM 0 HD2 PRO A 56 11.264 -26.367 -9.756 1.00 54.30 H new ATOM 0 HD3 PRO A 56 11.072 -27.945 -10.496 1.00 54.30 H new ATOM 725 N PRO A 57 9.574 -24.196 -14.198 1.00 32.41 N ATOM 726 CA PRO A 57 9.347 -22.794 -14.561 1.00 64.40 C ATOM 727 C PRO A 57 8.422 -22.084 -13.580 1.00 11.55 C ATOM 728 O PRO A 57 7.200 -22.161 -13.699 1.00 13.43 O ATOM 729 CB PRO A 57 8.693 -22.887 -15.942 1.00 2.32 C ATOM 730 CG PRO A 57 8.048 -24.230 -15.966 1.00 44.54 C ATOM 731 CD PRO A 57 8.928 -25.126 -15.139 1.00 74.33 C ATOM 0 HA PRO A 57 10.271 -22.215 -14.550 1.00 64.40 H new ATOM 0 HB2 PRO A 57 7.960 -22.093 -16.087 1.00 2.32 H new ATOM 0 HB3 PRO A 57 9.432 -22.788 -16.737 1.00 2.32 H new ATOM 0 HG2 PRO A 57 7.039 -24.186 -15.555 1.00 44.54 H new ATOM 0 HG3 PRO A 57 7.960 -24.603 -16.987 1.00 44.54 H new ATOM 0 HD2 PRO A 57 8.349 -25.888 -14.617 1.00 74.33 H new ATOM 0 HD3 PRO A 57 9.661 -25.649 -15.754 1.00 74.33 H new ATOM 739 N GLU A 58 9.013 -21.392 -12.611 1.00 3.44 N ATOM 740 CA GLU A 58 8.240 -20.667 -11.609 1.00 20.54 C ATOM 741 C GLU A 58 7.953 -19.241 -12.069 1.00 22.11 C ATOM 742 O GLU A 58 6.857 -18.720 -11.864 1.00 71.15 O ATOM 743 CB GLU A 58 8.988 -20.644 -10.274 1.00 41.30 C ATOM 744 CG GLU A 58 8.095 -20.346 -9.081 1.00 64.40 C ATOM 745 CD GLU A 58 7.523 -21.603 -8.453 1.00 42.52 C ATOM 746 OE1 GLU A 58 8.307 -22.388 -7.880 1.00 34.14 O ATOM 747 OE2 GLU A 58 6.293 -21.800 -8.536 1.00 20.34 O ATOM 0 H GLU A 58 10.024 -21.318 -12.499 1.00 3.44 H new ATOM 0 HA GLU A 58 7.290 -21.185 -11.476 1.00 20.54 H new ATOM 0 HB2 GLU A 58 9.473 -21.608 -10.122 1.00 41.30 H new ATOM 0 HB3 GLU A 58 9.778 -19.894 -10.322 1.00 41.30 H new ATOM 0 HG2 GLU A 58 8.666 -19.798 -8.332 1.00 64.40 H new ATOM 0 HG3 GLU A 58 7.278 -19.697 -9.396 1.00 64.40 H new ATOM 754 N SER A 59 8.947 -18.615 -12.691 1.00 62.31 N ATOM 755 CA SER A 59 8.804 -17.248 -13.177 1.00 3.22 C ATOM 756 C SER A 59 8.171 -17.228 -14.565 1.00 3.32 C ATOM 757 O SER A 59 8.070 -18.260 -15.228 1.00 23.11 O ATOM 758 CB SER A 59 10.167 -16.553 -13.215 1.00 54.31 C ATOM 759 OG SER A 59 11.067 -17.143 -12.294 1.00 34.44 O ATOM 0 H SER A 59 9.860 -19.033 -12.870 1.00 62.31 H new ATOM 0 HA SER A 59 8.149 -16.711 -12.491 1.00 3.22 H new ATOM 0 HB2 SER A 59 10.581 -16.613 -14.222 1.00 54.31 H new ATOM 0 HB3 SER A 59 10.046 -15.495 -12.982 1.00 54.31 H new ATOM 0 HG SER A 59 11.931 -16.682 -12.339 1.00 34.44 H new ATOM 765 N ARG A 60 7.747 -16.045 -14.997 1.00 75.15 N ATOM 766 CA ARG A 60 7.122 -15.889 -16.306 1.00 20.44 C ATOM 767 C ARG A 60 8.071 -15.202 -17.283 1.00 2.12 C ATOM 768 O ARG A 60 8.410 -14.030 -17.116 1.00 40.32 O ATOM 769 CB ARG A 60 5.827 -15.084 -16.184 1.00 2.13 C ATOM 770 CG ARG A 60 4.700 -15.843 -15.503 1.00 54.14 C ATOM 771 CD ARG A 60 4.192 -16.983 -16.372 1.00 61.11 C ATOM 772 NE ARG A 60 4.148 -18.248 -15.644 1.00 21.30 N ATOM 773 CZ ARG A 60 3.224 -18.542 -14.736 1.00 60.01 C ATOM 774 NH1 ARG A 60 2.272 -17.666 -14.447 1.00 0.32 N ATOM 775 NH2 ARG A 60 3.251 -19.715 -14.116 1.00 13.32 N ATOM 0 H ARG A 60 7.825 -15.181 -14.461 1.00 75.15 H new ATOM 0 HA ARG A 60 6.889 -16.882 -16.690 1.00 20.44 H new ATOM 0 HB2 ARG A 60 6.028 -14.170 -15.625 1.00 2.13 H new ATOM 0 HB3 ARG A 60 5.501 -14.783 -17.180 1.00 2.13 H new ATOM 0 HG2 ARG A 60 5.050 -16.239 -14.550 1.00 54.14 H new ATOM 0 HG3 ARG A 60 3.880 -15.159 -15.282 1.00 54.14 H new ATOM 0 HD2 ARG A 60 3.195 -16.742 -16.740 1.00 61.11 H new ATOM 0 HD3 ARG A 60 4.837 -17.089 -17.244 1.00 61.11 H new ATOM 0 HE ARG A 60 4.866 -18.944 -15.844 1.00 21.30 H new ATOM 0 HH11 ARG A 60 2.248 -16.764 -14.922 1.00 0.32 H new ATOM 0 HH12 ARG A 60 1.564 -17.894 -13.749 1.00 0.32 H new ATOM 0 HH21 ARG A 60 3.982 -20.392 -14.336 1.00 13.32 H new ATOM 0 HH22 ARG A 60 2.541 -19.940 -13.419 1.00 13.32 H new ATOM 789 N THR A 61 8.498 -15.939 -18.303 1.00 60.44 N ATOM 790 CA THR A 61 9.409 -15.402 -19.306 1.00 70.22 C ATOM 791 C THR A 61 8.739 -15.327 -20.673 1.00 41.33 C ATOM 792 O THR A 61 8.529 -16.346 -21.331 1.00 35.35 O ATOM 793 CB THR A 61 10.686 -16.256 -19.419 1.00 43.34 C ATOM 794 OG1 THR A 61 11.449 -15.847 -20.561 1.00 33.43 O ATOM 795 CG2 THR A 61 10.342 -17.733 -19.535 1.00 54.25 C ATOM 0 H THR A 61 8.227 -16.910 -18.456 1.00 60.44 H new ATOM 0 HA THR A 61 9.680 -14.397 -18.982 1.00 70.22 H new ATOM 0 HB THR A 61 11.277 -16.108 -18.515 1.00 43.34 H new ATOM 0 HG1 THR A 61 12.260 -16.393 -20.625 1.00 33.43 H new ATOM 0 HG21 THR A 61 11.260 -18.315 -19.614 1.00 54.25 H new ATOM 0 HG22 THR A 61 9.787 -18.048 -18.651 1.00 54.25 H new ATOM 0 HG23 THR A 61 9.732 -17.896 -20.424 1.00 54.25 H new ATOM 803 N LYS A 62 8.406 -14.112 -21.098 1.00 22.34 N ATOM 804 CA LYS A 62 7.761 -13.902 -22.388 1.00 64.34 C ATOM 805 C LYS A 62 8.356 -12.693 -23.103 1.00 60.23 C ATOM 806 O LYS A 62 8.938 -11.801 -22.486 1.00 24.31 O ATOM 807 CB LYS A 62 6.255 -13.709 -22.204 1.00 13.25 C ATOM 808 CG LYS A 62 5.895 -12.827 -21.020 1.00 44.01 C ATOM 809 CD LYS A 62 5.515 -13.654 -19.804 1.00 21.15 C ATOM 810 CE LYS A 62 4.073 -14.132 -19.883 1.00 24.10 C ATOM 811 NZ LYS A 62 3.984 -15.560 -20.298 1.00 4.35 N ATOM 0 H LYS A 62 8.573 -13.258 -20.567 1.00 22.34 H new ATOM 0 HA LYS A 62 7.935 -14.787 -23.001 1.00 64.34 H new ATOM 0 HB2 LYS A 62 5.840 -13.272 -23.112 1.00 13.25 H new ATOM 0 HB3 LYS A 62 5.785 -14.684 -22.076 1.00 13.25 H new ATOM 0 HG2 LYS A 62 6.740 -12.184 -20.774 1.00 44.01 H new ATOM 0 HG3 LYS A 62 5.065 -12.174 -21.291 1.00 44.01 H new ATOM 0 HD2 LYS A 62 6.180 -14.514 -19.725 1.00 21.15 H new ATOM 0 HD3 LYS A 62 5.653 -13.060 -18.901 1.00 21.15 H new ATOM 0 HE2 LYS A 62 3.595 -14.006 -18.912 1.00 24.10 H new ATOM 0 HE3 LYS A 62 3.523 -13.513 -20.592 1.00 24.10 H new ATOM 0 HZ1 LYS A 62 3.094 -15.968 -19.948 1.00 4.35 H new ATOM 0 HZ2 LYS A 62 4.009 -15.622 -21.336 1.00 4.35 H new ATOM 0 HZ3 LYS A 62 4.787 -16.088 -19.900 1.00 4.35 H new ATOM 825 N PRO A 63 8.206 -12.660 -24.436 1.00 1.43 N ATOM 826 CA PRO A 63 8.720 -11.564 -25.263 1.00 12.32 C ATOM 827 C PRO A 63 7.952 -10.264 -25.045 1.00 61.34 C ATOM 828 O PRO A 63 8.428 -9.185 -25.397 1.00 51.21 O ATOM 829 CB PRO A 63 8.516 -12.072 -26.692 1.00 61.41 C ATOM 830 CG PRO A 63 7.394 -13.047 -26.591 1.00 55.51 C ATOM 831 CD PRO A 63 7.523 -13.689 -25.237 1.00 51.45 C ATOM 0 HA PRO A 63 9.757 -11.325 -25.025 1.00 12.32 H new ATOM 0 HB2 PRO A 63 8.271 -11.255 -27.371 1.00 61.41 H new ATOM 0 HB3 PRO A 63 9.419 -12.546 -27.076 1.00 61.41 H new ATOM 0 HG2 PRO A 63 6.431 -12.546 -26.695 1.00 55.51 H new ATOM 0 HG3 PRO A 63 7.453 -13.793 -27.384 1.00 55.51 H new ATOM 0 HD2 PRO A 63 6.549 -13.943 -24.818 1.00 51.45 H new ATOM 0 HD3 PRO A 63 8.101 -14.612 -25.283 1.00 51.45 H new ATOM 839 N SER A 64 6.762 -10.375 -24.463 1.00 63.53 N ATOM 840 CA SER A 64 5.927 -9.209 -24.202 1.00 22.00 C ATOM 841 C SER A 64 6.703 -8.148 -23.428 1.00 42.42 C ATOM 842 O SER A 64 7.641 -8.459 -22.694 1.00 34.54 O ATOM 843 CB SER A 64 4.677 -9.615 -23.419 1.00 23.52 C ATOM 844 OG SER A 64 4.181 -10.866 -23.863 1.00 64.41 O ATOM 0 H SER A 64 6.355 -11.261 -24.163 1.00 63.53 H new ATOM 0 HA SER A 64 5.625 -8.787 -25.161 1.00 22.00 H new ATOM 0 HB2 SER A 64 4.912 -9.670 -22.356 1.00 23.52 H new ATOM 0 HB3 SER A 64 3.907 -8.853 -23.536 1.00 23.52 H new ATOM 0 HG SER A 64 3.383 -11.104 -23.346 1.00 64.41 H new ATOM 850 N VAL A 65 6.305 -6.891 -23.599 1.00 5.31 N ATOM 851 CA VAL A 65 6.962 -5.782 -22.917 1.00 13.24 C ATOM 852 C VAL A 65 6.095 -5.243 -21.785 1.00 15.53 C ATOM 853 O VAL A 65 4.866 -5.259 -21.867 1.00 42.44 O ATOM 854 CB VAL A 65 7.285 -4.635 -23.892 1.00 53.34 C ATOM 855 CG1 VAL A 65 8.385 -5.049 -24.858 1.00 12.51 C ATOM 856 CG2 VAL A 65 6.034 -4.209 -24.647 1.00 20.52 C ATOM 0 H VAL A 65 5.531 -6.615 -24.204 1.00 5.31 H new ATOM 0 HA VAL A 65 7.893 -6.171 -22.505 1.00 13.24 H new ATOM 0 HB VAL A 65 7.642 -3.782 -23.316 1.00 53.34 H new ATOM 0 HG11 VAL A 65 8.600 -4.226 -25.539 1.00 12.51 H new ATOM 0 HG12 VAL A 65 9.285 -5.301 -24.298 1.00 12.51 H new ATOM 0 HG13 VAL A 65 8.059 -5.918 -25.430 1.00 12.51 H new ATOM 0 HG21 VAL A 65 6.281 -3.397 -25.332 1.00 20.52 H new ATOM 0 HG22 VAL A 65 5.645 -5.055 -25.213 1.00 20.52 H new ATOM 0 HG23 VAL A 65 5.279 -3.869 -23.938 1.00 20.52 H new ATOM 866 N PHE A 66 6.742 -4.764 -20.727 1.00 72.51 N ATOM 867 CA PHE A 66 6.030 -4.220 -19.577 1.00 11.12 C ATOM 868 C PHE A 66 6.156 -2.700 -19.529 1.00 22.14 C ATOM 869 O PHE A 66 7.259 -2.155 -19.586 1.00 33.31 O ATOM 870 CB PHE A 66 6.569 -4.829 -18.281 1.00 64.21 C ATOM 871 CG PHE A 66 6.697 -6.325 -18.330 1.00 12.04 C ATOM 872 CD1 PHE A 66 7.929 -6.922 -18.539 1.00 24.14 C ATOM 873 CD2 PHE A 66 5.584 -7.134 -18.167 1.00 13.13 C ATOM 874 CE1 PHE A 66 8.050 -8.298 -18.583 1.00 63.35 C ATOM 875 CE2 PHE A 66 5.698 -8.511 -18.210 1.00 45.52 C ATOM 876 CZ PHE A 66 6.933 -9.093 -18.420 1.00 70.40 C ATOM 0 H PHE A 66 7.758 -4.742 -20.643 1.00 72.51 H new ATOM 0 HA PHE A 66 4.976 -4.477 -19.679 1.00 11.12 H new ATOM 0 HB2 PHE A 66 7.545 -4.396 -18.064 1.00 64.21 H new ATOM 0 HB3 PHE A 66 5.909 -4.555 -17.458 1.00 64.21 H new ATOM 0 HD1 PHE A 66 8.806 -6.305 -18.669 1.00 24.14 H new ATOM 0 HD2 PHE A 66 4.616 -6.683 -18.004 1.00 13.13 H new ATOM 0 HE1 PHE A 66 9.017 -8.751 -18.745 1.00 63.35 H new ATOM 0 HE2 PHE A 66 4.823 -9.131 -18.080 1.00 45.52 H new ATOM 0 HZ PHE A 66 7.025 -10.168 -18.457 1.00 70.40 H new ATOM 886 N VAL A 67 5.019 -2.021 -19.423 1.00 55.44 N ATOM 887 CA VAL A 67 5.000 -0.564 -19.367 1.00 5.20 C ATOM 888 C VAL A 67 4.252 -0.071 -18.134 1.00 10.13 C ATOM 889 O VAL A 67 3.224 -0.631 -17.753 1.00 52.21 O ATOM 890 CB VAL A 67 4.347 0.039 -20.625 1.00 64.41 C ATOM 891 CG1 VAL A 67 5.137 -0.339 -21.869 1.00 75.25 C ATOM 892 CG2 VAL A 67 2.900 -0.416 -20.743 1.00 44.52 C ATOM 0 H VAL A 67 4.098 -2.457 -19.374 1.00 55.44 H new ATOM 0 HA VAL A 67 6.038 -0.237 -19.314 1.00 5.20 H new ATOM 0 HB VAL A 67 4.356 1.125 -20.534 1.00 64.41 H new ATOM 0 HG11 VAL A 67 4.661 0.096 -22.748 1.00 75.25 H new ATOM 0 HG12 VAL A 67 6.155 0.040 -21.783 1.00 75.25 H new ATOM 0 HG13 VAL A 67 5.161 -1.424 -21.969 1.00 75.25 H new ATOM 0 HG21 VAL A 67 2.454 0.019 -21.637 1.00 44.52 H new ATOM 0 HG22 VAL A 67 2.865 -1.503 -20.812 1.00 44.52 H new ATOM 0 HG23 VAL A 67 2.343 -0.090 -19.864 1.00 44.52 H new ATOM 902 N VAL A 68 4.775 0.982 -17.512 1.00 74.34 N ATOM 903 CA VAL A 68 4.155 1.552 -16.322 1.00 42.22 C ATOM 904 C VAL A 68 3.734 2.998 -16.561 1.00 70.31 C ATOM 905 O VAL A 68 4.567 3.861 -16.837 1.00 62.03 O ATOM 906 CB VAL A 68 5.108 1.500 -15.113 1.00 64.25 C ATOM 907 CG1 VAL A 68 4.399 1.970 -13.853 1.00 33.32 C ATOM 908 CG2 VAL A 68 5.661 0.094 -14.932 1.00 11.23 C ATOM 0 H VAL A 68 5.626 1.457 -17.813 1.00 74.34 H new ATOM 0 HA VAL A 68 3.272 0.950 -16.106 1.00 42.22 H new ATOM 0 HB VAL A 68 5.944 2.173 -15.302 1.00 64.25 H new ATOM 0 HG11 VAL A 68 5.088 1.926 -13.010 1.00 33.32 H new ATOM 0 HG12 VAL A 68 4.057 2.996 -13.989 1.00 33.32 H new ATOM 0 HG13 VAL A 68 3.543 1.325 -13.655 1.00 33.32 H new ATOM 0 HG21 VAL A 68 6.332 0.075 -14.074 1.00 11.23 H new ATOM 0 HG22 VAL A 68 4.839 -0.602 -14.765 1.00 11.23 H new ATOM 0 HG23 VAL A 68 6.209 -0.200 -15.828 1.00 11.23 H new ATOM 918 N PHE A 69 2.435 3.255 -16.452 1.00 52.34 N ATOM 919 CA PHE A 69 1.902 4.597 -16.657 1.00 53.21 C ATOM 920 C PHE A 69 2.005 5.424 -15.379 1.00 14.12 C ATOM 921 O PHE A 69 1.885 4.896 -14.274 1.00 65.02 O ATOM 922 CB PHE A 69 0.444 4.525 -17.115 1.00 53.34 C ATOM 923 CG PHE A 69 0.266 3.854 -18.448 1.00 5.45 C ATOM 924 CD1 PHE A 69 0.005 4.601 -19.585 1.00 2.31 C ATOM 925 CD2 PHE A 69 0.361 2.477 -18.562 1.00 74.22 C ATOM 926 CE1 PHE A 69 -0.158 3.987 -20.812 1.00 51.14 C ATOM 927 CE2 PHE A 69 0.199 1.857 -19.787 1.00 13.21 C ATOM 928 CZ PHE A 69 -0.062 2.613 -20.913 1.00 52.12 C ATOM 0 H PHE A 69 1.732 2.552 -16.223 1.00 52.34 H new ATOM 0 HA PHE A 69 2.496 5.082 -17.432 1.00 53.21 H new ATOM 0 HB2 PHE A 69 -0.137 3.987 -16.366 1.00 53.34 H new ATOM 0 HB3 PHE A 69 0.038 5.535 -17.169 1.00 53.34 H new ATOM 0 HD1 PHE A 69 -0.072 5.676 -19.512 1.00 2.31 H new ATOM 0 HD2 PHE A 69 0.564 1.881 -17.684 1.00 74.22 H new ATOM 0 HE1 PHE A 69 -0.360 4.581 -21.691 1.00 51.14 H new ATOM 0 HE2 PHE A 69 0.276 0.782 -19.863 1.00 13.21 H new ATOM 0 HZ PHE A 69 -0.191 2.131 -21.871 1.00 52.12 H new ATOM 938 N ASN A 70 2.227 6.725 -15.539 1.00 24.42 N ATOM 939 CA ASN A 70 2.348 7.625 -14.398 1.00 52.42 C ATOM 940 C ASN A 70 0.979 8.144 -13.967 1.00 70.54 C ATOM 941 O ASN A 70 0.654 8.155 -12.780 1.00 75.43 O ATOM 942 CB ASN A 70 3.265 8.800 -14.744 1.00 55.43 C ATOM 943 CG ASN A 70 3.837 9.471 -13.510 1.00 74.50 C ATOM 944 OD1 ASN A 70 3.595 9.034 -12.385 1.00 23.53 O ATOM 945 ND2 ASN A 70 4.599 10.538 -13.716 1.00 62.13 N ATOM 0 H ASN A 70 2.327 7.179 -16.447 1.00 24.42 H new ATOM 0 HA ASN A 70 2.782 7.065 -13.570 1.00 52.42 H new ATOM 0 HB2 ASN A 70 4.082 8.447 -15.373 1.00 55.43 H new ATOM 0 HB3 ASN A 70 2.707 9.533 -15.327 1.00 55.43 H new ATOM 0 HD21 ASN A 70 5.011 11.031 -12.924 1.00 62.13 H new ATOM 0 HD22 ASN A 70 4.773 10.865 -14.666 1.00 62.13 H new ATOM 952 N SER A 71 0.181 8.571 -14.941 1.00 2.44 N ATOM 953 CA SER A 71 -1.152 9.094 -14.662 1.00 65.13 C ATOM 954 C SER A 71 -2.143 7.958 -14.431 1.00 71.32 C ATOM 955 O SER A 71 -2.212 7.010 -15.214 1.00 52.42 O ATOM 956 CB SER A 71 -1.629 9.975 -15.818 1.00 44.04 C ATOM 957 OG SER A 71 -0.569 10.254 -16.717 1.00 54.35 O ATOM 0 H SER A 71 0.434 8.565 -15.929 1.00 2.44 H new ATOM 0 HA SER A 71 -1.097 9.696 -13.755 1.00 65.13 H new ATOM 0 HB2 SER A 71 -2.439 9.476 -16.350 1.00 44.04 H new ATOM 0 HB3 SER A 71 -2.033 10.908 -15.426 1.00 44.04 H new ATOM 0 HG SER A 71 -0.900 10.817 -17.448 1.00 54.35 H new ATOM 963 N SER A 72 -2.909 8.060 -13.350 1.00 14.21 N ATOM 964 CA SER A 72 -3.895 7.040 -13.012 1.00 51.11 C ATOM 965 C SER A 72 -4.960 6.932 -14.099 1.00 40.53 C ATOM 966 O SER A 72 -5.277 5.839 -14.566 1.00 22.23 O ATOM 967 CB SER A 72 -4.553 7.361 -11.668 1.00 45.25 C ATOM 968 OG SER A 72 -4.504 8.751 -11.396 1.00 64.00 O ATOM 0 H SER A 72 -2.866 8.839 -12.693 1.00 14.21 H new ATOM 0 HA SER A 72 -3.379 6.083 -12.937 1.00 51.11 H new ATOM 0 HB2 SER A 72 -5.590 7.025 -11.678 1.00 45.25 H new ATOM 0 HB3 SER A 72 -4.048 6.813 -10.872 1.00 45.25 H new ATOM 0 HG SER A 72 -3.689 8.957 -10.893 1.00 64.00 H new ATOM 974 N GLU A 73 -5.508 8.076 -14.497 1.00 51.35 N ATOM 975 CA GLU A 73 -6.538 8.111 -15.529 1.00 70.31 C ATOM 976 C GLU A 73 -6.041 7.458 -16.816 1.00 33.12 C ATOM 977 O GLU A 73 -6.651 6.516 -17.321 1.00 23.34 O ATOM 978 CB GLU A 73 -6.964 9.554 -15.808 1.00 20.32 C ATOM 979 CG GLU A 73 -8.382 9.678 -16.341 1.00 24.34 C ATOM 980 CD GLU A 73 -8.431 10.273 -17.734 1.00 50.22 C ATOM 981 OE1 GLU A 73 -8.060 11.456 -17.887 1.00 23.12 O ATOM 982 OE2 GLU A 73 -8.841 9.558 -18.672 1.00 20.43 O ATOM 0 H GLU A 73 -5.256 8.990 -14.121 1.00 51.35 H new ATOM 0 HA GLU A 73 -7.399 7.550 -15.166 1.00 70.31 H new ATOM 0 HB2 GLU A 73 -6.878 10.133 -14.889 1.00 20.32 H new ATOM 0 HB3 GLU A 73 -6.274 9.995 -16.528 1.00 20.32 H new ATOM 0 HG2 GLU A 73 -8.849 8.693 -16.354 1.00 24.34 H new ATOM 0 HG3 GLU A 73 -8.968 10.299 -15.664 1.00 24.34 H new ATOM 989 N GLU A 74 -4.931 7.967 -17.340 1.00 40.15 N ATOM 990 CA GLU A 74 -4.353 7.435 -18.569 1.00 33.51 C ATOM 991 C GLU A 74 -3.969 5.967 -18.398 1.00 54.52 C ATOM 992 O GLU A 74 -4.068 5.176 -19.335 1.00 50.13 O ATOM 993 CB GLU A 74 -3.125 8.250 -18.977 1.00 2.44 C ATOM 994 CG GLU A 74 -2.739 8.082 -20.437 1.00 34.13 C ATOM 995 CD GLU A 74 -3.313 9.172 -21.321 1.00 42.00 C ATOM 996 OE1 GLU A 74 -2.586 9.654 -22.215 1.00 64.50 O ATOM 997 OE2 GLU A 74 -4.488 9.544 -21.119 1.00 64.23 O ATOM 0 H GLU A 74 -4.414 8.747 -16.933 1.00 40.15 H new ATOM 0 HA GLU A 74 -5.105 7.508 -19.355 1.00 33.51 H new ATOM 0 HB2 GLU A 74 -3.318 9.305 -18.780 1.00 2.44 H new ATOM 0 HB3 GLU A 74 -2.282 7.958 -18.351 1.00 2.44 H new ATOM 0 HG2 GLU A 74 -1.652 8.083 -20.524 1.00 34.13 H new ATOM 0 HG3 GLU A 74 -3.086 7.111 -20.791 1.00 34.13 H new ATOM 1004 N ALA A 75 -3.531 5.613 -17.195 1.00 22.02 N ATOM 1005 CA ALA A 75 -3.133 4.242 -16.900 1.00 33.11 C ATOM 1006 C ALA A 75 -4.295 3.276 -17.110 1.00 43.33 C ATOM 1007 O ALA A 75 -4.173 2.296 -17.845 1.00 11.55 O ATOM 1008 CB ALA A 75 -2.610 4.139 -15.475 1.00 33.12 C ATOM 0 H ALA A 75 -3.443 6.256 -16.409 1.00 22.02 H new ATOM 0 HA ALA A 75 -2.335 3.965 -17.589 1.00 33.11 H new ATOM 0 HB1 ALA A 75 -2.317 3.110 -15.269 1.00 33.12 H new ATOM 0 HB2 ALA A 75 -1.746 4.793 -15.356 1.00 33.12 H new ATOM 0 HB3 ALA A 75 -3.392 4.440 -14.778 1.00 33.12 H new ATOM 1014 N GLU A 76 -5.419 3.560 -16.461 1.00 33.14 N ATOM 1015 CA GLU A 76 -6.602 2.714 -16.576 1.00 44.34 C ATOM 1016 C GLU A 76 -7.145 2.731 -18.002 1.00 64.35 C ATOM 1017 O GLU A 76 -7.590 1.707 -18.520 1.00 70.10 O ATOM 1018 CB GLU A 76 -7.685 3.178 -15.601 1.00 53.30 C ATOM 1019 CG GLU A 76 -7.396 2.818 -14.154 1.00 11.15 C ATOM 1020 CD GLU A 76 -8.398 1.831 -13.587 1.00 11.14 C ATOM 1021 OE1 GLU A 76 -8.001 0.683 -13.298 1.00 64.34 O ATOM 1022 OE2 GLU A 76 -9.579 2.206 -13.431 1.00 43.53 O ATOM 0 H GLU A 76 -5.536 4.369 -15.850 1.00 33.14 H new ATOM 0 HA GLU A 76 -6.313 1.693 -16.327 1.00 44.34 H new ATOM 0 HB2 GLU A 76 -7.796 4.259 -15.682 1.00 53.30 H new ATOM 0 HB3 GLU A 76 -8.638 2.737 -15.893 1.00 53.30 H new ATOM 0 HG2 GLU A 76 -6.394 2.395 -14.082 1.00 11.15 H new ATOM 0 HG3 GLU A 76 -7.403 3.725 -13.549 1.00 11.15 H new ATOM 1029 N ALA A 77 -7.104 3.901 -18.631 1.00 72.23 N ATOM 1030 CA ALA A 77 -7.590 4.051 -19.997 1.00 53.22 C ATOM 1031 C ALA A 77 -6.864 3.104 -20.946 1.00 30.42 C ATOM 1032 O ALA A 77 -7.490 2.423 -21.759 1.00 44.43 O ATOM 1033 CB ALA A 77 -7.427 5.491 -20.460 1.00 15.52 C ATOM 0 H ALA A 77 -6.739 4.759 -18.216 1.00 72.23 H new ATOM 0 HA ALA A 77 -8.649 3.794 -20.009 1.00 53.22 H new ATOM 0 HB1 ALA A 77 -7.794 5.588 -21.482 1.00 15.52 H new ATOM 0 HB2 ALA A 77 -7.997 6.150 -19.805 1.00 15.52 H new ATOM 0 HB3 ALA A 77 -6.373 5.767 -20.425 1.00 15.52 H new ATOM 1039 N PHE A 78 -5.540 3.064 -20.837 1.00 12.23 N ATOM 1040 CA PHE A 78 -4.728 2.201 -21.686 1.00 74.24 C ATOM 1041 C PHE A 78 -4.912 0.735 -21.305 1.00 62.32 C ATOM 1042 O PHE A 78 -4.932 -0.143 -22.168 1.00 2.04 O ATOM 1043 CB PHE A 78 -3.252 2.586 -21.579 1.00 4.52 C ATOM 1044 CG PHE A 78 -2.829 3.626 -22.577 1.00 72.15 C ATOM 1045 CD1 PHE A 78 -1.849 3.346 -23.516 1.00 53.11 C ATOM 1046 CD2 PHE A 78 -3.412 4.883 -22.577 1.00 41.11 C ATOM 1047 CE1 PHE A 78 -1.459 4.300 -24.437 1.00 5.33 C ATOM 1048 CE2 PHE A 78 -3.026 5.841 -23.495 1.00 64.14 C ATOM 1049 CZ PHE A 78 -2.047 5.550 -24.426 1.00 21.35 C ATOM 0 H PHE A 78 -5.007 3.620 -20.168 1.00 12.23 H new ATOM 0 HA PHE A 78 -5.057 2.335 -22.717 1.00 74.24 H new ATOM 0 HB2 PHE A 78 -3.054 2.957 -20.574 1.00 4.52 H new ATOM 0 HB3 PHE A 78 -2.641 1.694 -21.716 1.00 4.52 H new ATOM 0 HD1 PHE A 78 -1.385 2.371 -23.528 1.00 53.11 H new ATOM 0 HD2 PHE A 78 -4.177 5.117 -21.851 1.00 41.11 H new ATOM 0 HE1 PHE A 78 -0.695 4.068 -25.165 1.00 5.33 H new ATOM 0 HE2 PHE A 78 -3.489 6.817 -23.485 1.00 64.14 H new ATOM 0 HZ PHE A 78 -1.742 6.298 -25.143 1.00 21.35 H new ATOM 1059 N GLN A 79 -5.044 0.479 -20.008 1.00 35.02 N ATOM 1060 CA GLN A 79 -5.225 -0.880 -19.512 1.00 62.42 C ATOM 1061 C GLN A 79 -6.462 -1.525 -20.128 1.00 53.32 C ATOM 1062 O GLN A 79 -6.426 -2.678 -20.558 1.00 15.10 O ATOM 1063 CB GLN A 79 -5.342 -0.878 -17.987 1.00 20.40 C ATOM 1064 CG GLN A 79 -4.213 -1.619 -17.289 1.00 45.21 C ATOM 1065 CD GLN A 79 -4.138 -1.307 -15.807 1.00 74.23 C ATOM 1066 OE1 GLN A 79 -4.562 -0.239 -15.364 1.00 22.42 O ATOM 1067 NE2 GLN A 79 -3.598 -2.240 -15.032 1.00 75.41 N ATOM 0 H GLN A 79 -5.029 1.195 -19.281 1.00 35.02 H new ATOM 0 HA GLN A 79 -4.351 -1.464 -19.801 1.00 62.42 H new ATOM 0 HB2 GLN A 79 -5.362 0.153 -17.634 1.00 20.40 H new ATOM 0 HB3 GLN A 79 -6.292 -1.330 -17.703 1.00 20.40 H new ATOM 0 HG2 GLN A 79 -4.350 -2.692 -17.424 1.00 45.21 H new ATOM 0 HG3 GLN A 79 -3.266 -1.357 -17.760 1.00 45.21 H new ATOM 0 HE21 GLN A 79 -3.260 -3.110 -15.442 1.00 75.41 H new ATOM 0 HE22 GLN A 79 -3.522 -2.086 -14.027 1.00 75.41 H new ATOM 1076 N LYS A 80 -7.557 -0.773 -20.168 1.00 11.13 N ATOM 1077 CA LYS A 80 -8.807 -1.269 -20.732 1.00 23.22 C ATOM 1078 C LYS A 80 -8.624 -1.667 -22.193 1.00 21.42 C ATOM 1079 O LYS A 80 -8.691 -2.847 -22.537 1.00 45.13 O ATOM 1080 CB LYS A 80 -9.901 -0.205 -20.615 1.00 62.51 C ATOM 1081 CG LYS A 80 -11.202 -0.595 -21.294 1.00 54.33 C ATOM 1082 CD LYS A 80 -12.237 0.513 -21.193 1.00 53.20 C ATOM 1083 CE LYS A 80 -12.482 1.172 -22.542 1.00 35.11 C ATOM 1084 NZ LYS A 80 -13.901 1.597 -22.702 1.00 4.31 N ATOM 0 H LYS A 80 -7.604 0.183 -19.816 1.00 11.13 H new ATOM 0 HA LYS A 80 -9.106 -2.152 -20.168 1.00 23.22 H new ATOM 0 HB2 LYS A 80 -10.095 -0.010 -19.560 1.00 62.51 H new ATOM 0 HB3 LYS A 80 -9.539 0.726 -21.050 1.00 62.51 H new ATOM 0 HG2 LYS A 80 -11.012 -0.822 -22.343 1.00 54.33 H new ATOM 0 HG3 LYS A 80 -11.594 -1.503 -20.837 1.00 54.33 H new ATOM 0 HD2 LYS A 80 -13.173 0.105 -20.811 1.00 53.20 H new ATOM 0 HD3 LYS A 80 -11.900 1.262 -20.477 1.00 53.20 H new ATOM 0 HE2 LYS A 80 -11.829 2.039 -22.647 1.00 35.11 H new ATOM 0 HE3 LYS A 80 -12.219 0.477 -23.339 1.00 35.11 H new ATOM 0 HZ1 LYS A 80 -14.027 2.041 -23.634 1.00 4.31 H new ATOM 0 HZ2 LYS A 80 -14.523 0.767 -22.627 1.00 4.31 H new ATOM 0 HZ3 LYS A 80 -14.145 2.280 -21.957 1.00 4.31 H new ATOM 1098 N ALA A 81 -8.392 -0.676 -23.047 1.00 61.11 N ATOM 1099 CA ALA A 81 -8.196 -0.924 -24.470 1.00 21.10 C ATOM 1100 C ALA A 81 -6.879 -0.328 -24.955 1.00 3.02 C ATOM 1101 O ALA A 81 -6.299 0.554 -24.322 1.00 3.52 O ATOM 1102 CB ALA A 81 -9.360 -0.358 -25.270 1.00 2.33 C ATOM 0 H ALA A 81 -8.335 0.306 -22.778 1.00 61.11 H new ATOM 0 HA ALA A 81 -8.155 -2.002 -24.623 1.00 21.10 H new ATOM 0 HB1 ALA A 81 -9.200 -0.550 -26.331 1.00 2.33 H new ATOM 0 HB2 ALA A 81 -10.287 -0.834 -24.950 1.00 2.33 H new ATOM 0 HB3 ALA A 81 -9.428 0.717 -25.103 1.00 2.33 H new ATOM 1108 N PRO A 82 -6.393 -0.820 -26.104 1.00 70.11 N ATOM 1109 CA PRO A 82 -5.138 -0.350 -26.699 1.00 34.10 C ATOM 1110 C PRO A 82 -5.250 1.071 -27.241 1.00 32.22 C ATOM 1111 O PRO A 82 -6.340 1.628 -27.368 1.00 15.40 O ATOM 1112 CB PRO A 82 -4.894 -1.340 -27.841 1.00 34.13 C ATOM 1113 CG PRO A 82 -6.248 -1.851 -28.195 1.00 53.42 C ATOM 1114 CD PRO A 82 -7.032 -1.873 -26.912 1.00 4.12 C ATOM 0 HA PRO A 82 -4.330 -0.313 -25.969 1.00 34.10 H new ATOM 0 HB2 PRO A 82 -4.420 -0.853 -28.693 1.00 34.13 H new ATOM 0 HB3 PRO A 82 -4.234 -2.150 -27.529 1.00 34.13 H new ATOM 0 HG2 PRO A 82 -6.727 -1.208 -28.934 1.00 53.42 H new ATOM 0 HG3 PRO A 82 -6.187 -2.848 -28.632 1.00 53.42 H new ATOM 0 HD2 PRO A 82 -8.088 -1.663 -27.083 1.00 4.12 H new ATOM 0 HD3 PRO A 82 -6.975 -2.845 -26.423 1.00 4.12 H new ATOM 1122 N PRO A 83 -4.097 1.672 -27.569 1.00 11.54 N ATOM 1123 CA PRO A 83 -4.040 3.036 -28.103 1.00 42.22 C ATOM 1124 C PRO A 83 -4.604 3.129 -29.517 1.00 24.20 C ATOM 1125 O PRO A 83 -5.209 4.134 -29.889 1.00 64.32 O ATOM 1126 CB PRO A 83 -2.543 3.355 -28.103 1.00 24.24 C ATOM 1127 CG PRO A 83 -1.873 2.027 -28.187 1.00 23.14 C ATOM 1128 CD PRO A 83 -2.760 1.068 -27.443 1.00 74.51 C ATOM 0 HA PRO A 83 -4.638 3.730 -27.512 1.00 42.22 H new ATOM 0 HB2 PRO A 83 -2.273 3.989 -28.948 1.00 24.24 H new ATOM 0 HB3 PRO A 83 -2.252 3.889 -27.198 1.00 24.24 H new ATOM 0 HG2 PRO A 83 -1.748 1.718 -29.225 1.00 23.14 H new ATOM 0 HG3 PRO A 83 -0.878 2.063 -27.743 1.00 23.14 H new ATOM 0 HD2 PRO A 83 -2.727 0.070 -27.879 1.00 74.51 H new ATOM 0 HD3 PRO A 83 -2.460 0.970 -26.400 1.00 74.51 H new ATOM 1136 N MET A 84 -4.401 2.074 -30.300 1.00 14.11 N ATOM 1137 CA MET A 84 -4.892 2.037 -31.673 1.00 23.22 C ATOM 1138 C MET A 84 -4.229 3.121 -32.516 1.00 41.15 C ATOM 1139 O MET A 84 -4.685 4.264 -32.545 1.00 53.33 O ATOM 1140 CB MET A 84 -6.411 2.211 -31.699 1.00 54.52 C ATOM 1141 CG MET A 84 -7.160 0.955 -32.113 1.00 14.13 C ATOM 1142 SD MET A 84 -8.206 1.214 -33.558 1.00 53.25 S ATOM 1143 CE MET A 84 -9.118 -0.327 -33.598 1.00 25.33 C ATOM 0 H MET A 84 -3.901 1.235 -30.008 1.00 14.11 H new ATOM 0 HA MET A 84 -4.638 1.066 -32.097 1.00 23.22 H new ATOM 0 HB2 MET A 84 -6.750 2.517 -30.709 1.00 54.52 H new ATOM 0 HB3 MET A 84 -6.664 3.018 -32.386 1.00 54.52 H new ATOM 0 HG2 MET A 84 -6.443 0.163 -32.326 1.00 14.13 H new ATOM 0 HG3 MET A 84 -7.775 0.613 -31.281 1.00 14.13 H new ATOM 0 HE1 MET A 84 -9.809 -0.319 -34.441 1.00 25.33 H new ATOM 0 HE2 MET A 84 -8.422 -1.159 -33.708 1.00 25.33 H new ATOM 0 HE3 MET A 84 -9.678 -0.442 -32.670 1.00 25.33 H new ATOM 1153 N TYR A 85 -3.151 2.755 -33.201 1.00 40.41 N ATOM 1154 CA TYR A 85 -2.424 3.698 -34.043 1.00 71.01 C ATOM 1155 C TYR A 85 -2.428 3.243 -35.499 1.00 55.34 C ATOM 1156 O TYR A 85 -2.029 2.122 -35.812 1.00 61.45 O ATOM 1157 CB TYR A 85 -0.984 3.850 -33.549 1.00 54.31 C ATOM 1158 CG TYR A 85 -0.531 5.288 -33.440 1.00 4.41 C ATOM 1159 CD1 TYR A 85 0.097 5.754 -32.291 1.00 34.02 C ATOM 1160 CD2 TYR A 85 -0.730 6.182 -34.485 1.00 61.11 C ATOM 1161 CE1 TYR A 85 0.512 7.067 -32.186 1.00 44.30 C ATOM 1162 CE2 TYR A 85 -0.316 7.496 -34.390 1.00 11.43 C ATOM 1163 CZ TYR A 85 0.304 7.934 -33.238 1.00 42.43 C ATOM 1164 OH TYR A 85 0.717 9.243 -33.139 1.00 14.51 O ATOM 0 H TYR A 85 -2.761 1.812 -33.190 1.00 40.41 H new ATOM 0 HA TYR A 85 -2.926 4.663 -33.981 1.00 71.01 H new ATOM 0 HB2 TYR A 85 -0.891 3.373 -32.573 1.00 54.31 H new ATOM 0 HB3 TYR A 85 -0.318 3.318 -34.228 1.00 54.31 H new ATOM 0 HD1 TYR A 85 0.263 5.077 -31.466 1.00 34.02 H new ATOM 0 HD2 TYR A 85 -1.217 5.843 -35.387 1.00 61.11 H new ATOM 0 HE1 TYR A 85 0.997 7.413 -31.285 1.00 44.30 H new ATOM 0 HE2 TYR A 85 -0.477 8.177 -35.213 1.00 11.43 H new ATOM 0 HH TYR A 85 0.496 9.719 -33.967 1.00 14.51 H new ATOM 1174 N ASP A 86 -2.883 4.123 -36.385 1.00 62.33 N ATOM 1175 CA ASP A 86 -2.938 3.814 -37.810 1.00 14.14 C ATOM 1176 C ASP A 86 -1.586 3.316 -38.311 1.00 14.41 C ATOM 1177 O ASP A 86 -1.510 2.332 -39.047 1.00 1.25 O ATOM 1178 CB ASP A 86 -3.368 5.048 -38.604 1.00 51.41 C ATOM 1179 CG ASP A 86 -4.873 5.229 -38.624 1.00 72.12 C ATOM 1180 OD1 ASP A 86 -5.574 4.449 -37.945 1.00 2.20 O ATOM 1181 OD2 ASP A 86 -5.351 6.150 -39.318 1.00 44.44 O ATOM 0 H ASP A 86 -3.219 5.055 -36.142 1.00 62.33 H new ATOM 0 HA ASP A 86 -3.673 3.023 -37.957 1.00 14.14 H new ATOM 0 HB2 ASP A 86 -2.904 5.934 -38.171 1.00 51.41 H new ATOM 0 HB3 ASP A 86 -3.002 4.964 -39.627 1.00 51.41 H new ATOM 1186 N ASP A 87 -0.523 4.003 -37.909 1.00 2.40 N ATOM 1187 CA ASP A 87 0.827 3.631 -38.317 1.00 52.33 C ATOM 1188 C ASP A 87 1.094 2.157 -38.031 1.00 3.02 C ATOM 1189 O ASP A 87 1.331 1.369 -38.946 1.00 62.14 O ATOM 1190 CB ASP A 87 1.859 4.499 -37.595 1.00 54.33 C ATOM 1191 CG ASP A 87 2.527 5.495 -38.522 1.00 44.40 C ATOM 1192 OD1 ASP A 87 3.682 5.246 -38.928 1.00 2.34 O ATOM 1193 OD2 ASP A 87 1.896 6.524 -38.842 1.00 72.35 O ATOM 0 H ASP A 87 -0.570 4.821 -37.301 1.00 2.40 H new ATOM 0 HA ASP A 87 0.914 3.796 -39.391 1.00 52.33 H new ATOM 0 HB2 ASP A 87 1.372 5.035 -36.780 1.00 54.33 H new ATOM 0 HB3 ASP A 87 2.618 3.858 -37.146 1.00 54.33 H new ATOM 1198 N VAL A 88 1.056 1.791 -36.753 1.00 53.15 N ATOM 1199 CA VAL A 88 1.294 0.412 -36.346 1.00 32.41 C ATOM 1200 C VAL A 88 0.218 -0.069 -35.378 1.00 4.10 C ATOM 1201 O VAL A 88 -0.118 0.622 -34.417 1.00 10.12 O ATOM 1202 CB VAL A 88 2.675 0.253 -35.682 1.00 75.21 C ATOM 1203 CG1 VAL A 88 2.938 -1.206 -35.340 1.00 43.33 C ATOM 1204 CG2 VAL A 88 3.767 0.803 -36.587 1.00 34.10 C ATOM 0 H VAL A 88 0.863 2.431 -35.983 1.00 53.15 H new ATOM 0 HA VAL A 88 1.262 -0.195 -37.251 1.00 32.41 H new ATOM 0 HB VAL A 88 2.682 0.825 -34.754 1.00 75.21 H new ATOM 0 HG11 VAL A 88 3.918 -1.299 -34.872 1.00 43.33 H new ATOM 0 HG12 VAL A 88 2.172 -1.562 -34.652 1.00 43.33 H new ATOM 0 HG13 VAL A 88 2.913 -1.804 -36.251 1.00 43.33 H new ATOM 0 HG21 VAL A 88 4.736 0.683 -36.103 1.00 34.10 H new ATOM 0 HG22 VAL A 88 3.764 0.260 -37.532 1.00 34.10 H new ATOM 0 HG23 VAL A 88 3.585 1.861 -36.776 1.00 34.10 H new ATOM 1214 N GLN A 89 -0.316 -1.257 -35.639 1.00 34.33 N ATOM 1215 CA GLN A 89 -1.354 -1.830 -34.790 1.00 34.12 C ATOM 1216 C GLN A 89 -0.800 -2.178 -33.412 1.00 74.42 C ATOM 1217 O GLN A 89 0.140 -2.964 -33.290 1.00 63.12 O ATOM 1218 CB GLN A 89 -1.947 -3.079 -35.445 1.00 1.01 C ATOM 1219 CG GLN A 89 -3.345 -3.418 -34.954 1.00 20.51 C ATOM 1220 CD GLN A 89 -3.585 -4.913 -34.864 1.00 11.42 C ATOM 1221 OE1 GLN A 89 -3.768 -5.459 -33.776 1.00 31.23 O ATOM 1222 NE2 GLN A 89 -3.586 -5.583 -36.010 1.00 41.54 N ATOM 0 H GLN A 89 -0.048 -1.841 -36.431 1.00 34.33 H new ATOM 0 HA GLN A 89 -2.140 -1.085 -34.668 1.00 34.12 H new ATOM 0 HB2 GLN A 89 -1.975 -2.934 -36.525 1.00 1.01 H new ATOM 0 HB3 GLN A 89 -1.289 -3.926 -35.254 1.00 1.01 H new ATOM 0 HG2 GLN A 89 -3.500 -2.969 -33.973 1.00 20.51 H new ATOM 0 HG3 GLN A 89 -4.080 -2.976 -35.627 1.00 20.51 H new ATOM 0 HE21 GLN A 89 -3.430 -5.090 -36.889 1.00 41.54 H new ATOM 0 HE22 GLN A 89 -3.743 -6.591 -36.011 1.00 41.54 H new ATOM 1231 N LEU A 90 -1.389 -1.589 -32.377 1.00 42.03 N ATOM 1232 CA LEU A 90 -0.954 -1.837 -31.007 1.00 1.40 C ATOM 1233 C LEU A 90 -1.887 -2.820 -30.309 1.00 33.32 C ATOM 1234 O LEU A 90 -3.109 -2.733 -30.438 1.00 20.11 O ATOM 1235 CB LEU A 90 -0.899 -0.524 -30.223 1.00 51.04 C ATOM 1236 CG LEU A 90 0.492 -0.057 -29.793 1.00 13.04 C ATOM 1237 CD1 LEU A 90 1.177 -1.124 -28.953 1.00 72.00 C ATOM 1238 CD2 LEU A 90 1.337 0.292 -31.009 1.00 5.15 C ATOM 0 H LEU A 90 -2.169 -0.937 -32.460 1.00 42.03 H new ATOM 0 HA LEU A 90 0.044 -2.274 -31.042 1.00 1.40 H new ATOM 0 HB2 LEU A 90 -1.351 0.259 -30.832 1.00 51.04 H new ATOM 0 HB3 LEU A 90 -1.516 -0.630 -29.331 1.00 51.04 H new ATOM 0 HG LEU A 90 0.381 0.840 -29.184 1.00 13.04 H new ATOM 0 HD11 LEU A 90 2.166 -0.774 -28.656 1.00 72.00 H new ATOM 0 HD12 LEU A 90 0.581 -1.325 -28.063 1.00 72.00 H new ATOM 0 HD13 LEU A 90 1.276 -2.039 -29.537 1.00 72.00 H new ATOM 0 HD21 LEU A 90 2.324 0.622 -30.684 1.00 5.15 H new ATOM 0 HD22 LEU A 90 1.440 -0.587 -31.645 1.00 5.15 H new ATOM 0 HD23 LEU A 90 0.854 1.091 -31.571 1.00 5.15 H new ATOM 1250 N THR A 91 -1.304 -3.756 -29.566 1.00 73.31 N ATOM 1251 CA THR A 91 -2.083 -4.756 -28.846 1.00 51.12 C ATOM 1252 C THR A 91 -1.725 -4.769 -27.365 1.00 32.35 C ATOM 1253 O THR A 91 -0.675 -5.279 -26.975 1.00 12.15 O ATOM 1254 CB THR A 91 -1.864 -6.165 -29.428 1.00 62.04 C ATOM 1255 OG1 THR A 91 -1.749 -6.094 -30.854 1.00 11.30 O ATOM 1256 CG2 THR A 91 -3.011 -7.090 -29.053 1.00 33.44 C ATOM 0 H THR A 91 -0.295 -3.842 -29.447 1.00 73.31 H new ATOM 0 HA THR A 91 -3.132 -4.483 -28.961 1.00 51.12 H new ATOM 0 HB THR A 91 -0.942 -6.567 -29.009 1.00 62.04 H new ATOM 0 HG1 THR A 91 -1.608 -6.994 -31.216 1.00 11.30 H new ATOM 0 HG21 THR A 91 -2.834 -8.079 -29.475 1.00 33.44 H new ATOM 0 HG22 THR A 91 -3.078 -7.166 -27.968 1.00 33.44 H new ATOM 0 HG23 THR A 91 -3.945 -6.689 -29.447 1.00 33.44 H new ATOM 1264 N ALA A 92 -2.605 -4.206 -26.543 1.00 33.51 N ATOM 1265 CA ALA A 92 -2.383 -4.157 -25.103 1.00 42.52 C ATOM 1266 C ALA A 92 -3.396 -5.022 -24.361 1.00 4.41 C ATOM 1267 O ALA A 92 -4.562 -5.094 -24.745 1.00 34.22 O ATOM 1268 CB ALA A 92 -2.450 -2.719 -24.608 1.00 72.34 C ATOM 0 H ALA A 92 -3.478 -3.777 -26.850 1.00 33.51 H new ATOM 0 HA ALA A 92 -1.389 -4.554 -24.900 1.00 42.52 H new ATOM 0 HB1 ALA A 92 -2.283 -2.697 -23.531 1.00 72.34 H new ATOM 0 HB2 ALA A 92 -1.683 -2.126 -25.107 1.00 72.34 H new ATOM 0 HB3 ALA A 92 -3.432 -2.303 -24.831 1.00 72.34 H new ATOM 1274 N GLU A 93 -2.941 -5.676 -23.297 1.00 21.11 N ATOM 1275 CA GLU A 93 -3.809 -6.538 -22.502 1.00 44.34 C ATOM 1276 C GLU A 93 -3.994 -5.975 -21.096 1.00 62.10 C ATOM 1277 O GLU A 93 -3.280 -5.062 -20.683 1.00 11.33 O ATOM 1278 CB GLU A 93 -3.229 -7.952 -22.426 1.00 3.43 C ATOM 1279 CG GLU A 93 -3.758 -8.886 -23.501 1.00 12.32 C ATOM 1280 CD GLU A 93 -5.148 -9.405 -23.189 1.00 74.13 C ATOM 1281 OE1 GLU A 93 -5.327 -10.641 -23.162 1.00 0.11 O ATOM 1282 OE2 GLU A 93 -6.057 -8.577 -22.973 1.00 53.44 O ATOM 0 H GLU A 93 -1.978 -5.626 -22.966 1.00 21.11 H new ATOM 0 HA GLU A 93 -4.783 -6.579 -22.989 1.00 44.34 H new ATOM 0 HB2 GLU A 93 -2.144 -7.895 -22.508 1.00 3.43 H new ATOM 0 HB3 GLU A 93 -3.453 -8.375 -21.447 1.00 3.43 H new ATOM 0 HG2 GLU A 93 -3.776 -8.361 -24.456 1.00 12.32 H new ATOM 0 HG3 GLU A 93 -3.076 -9.729 -23.613 1.00 12.32 H new ATOM 1289 N MET A 94 -4.958 -6.527 -20.366 1.00 64.44 N ATOM 1290 CA MET A 94 -5.237 -6.081 -19.006 1.00 64.53 C ATOM 1291 C MET A 94 -4.683 -7.070 -17.986 1.00 23.45 C ATOM 1292 O MET A 94 -4.550 -8.261 -18.268 1.00 33.40 O ATOM 1293 CB MET A 94 -6.743 -5.910 -18.802 1.00 11.10 C ATOM 1294 CG MET A 94 -7.101 -4.819 -17.806 1.00 1.21 C ATOM 1295 SD MET A 94 -8.880 -4.652 -17.567 1.00 73.53 S ATOM 1296 CE MET A 94 -8.935 -3.404 -16.284 1.00 43.23 C ATOM 0 H MET A 94 -5.559 -7.284 -20.693 1.00 64.44 H new ATOM 0 HA MET A 94 -4.746 -5.119 -18.857 1.00 64.53 H new ATOM 0 HB2 MET A 94 -7.208 -5.682 -19.761 1.00 11.10 H new ATOM 0 HB3 MET A 94 -7.165 -6.855 -18.460 1.00 11.10 H new ATOM 0 HG2 MET A 94 -6.629 -5.038 -16.848 1.00 1.21 H new ATOM 0 HG3 MET A 94 -6.694 -3.869 -18.152 1.00 1.21 H new ATOM 0 HE1 MET A 94 -9.973 -3.192 -16.027 1.00 43.23 H new ATOM 0 HE2 MET A 94 -8.409 -3.767 -15.401 1.00 43.23 H new ATOM 0 HE3 MET A 94 -8.456 -2.493 -16.642 1.00 43.23 H new ATOM 1306 N LYS A 95 -4.360 -6.570 -16.798 1.00 1.51 N ATOM 1307 CA LYS A 95 -3.821 -7.408 -15.734 1.00 60.30 C ATOM 1308 C LYS A 95 -4.820 -8.489 -15.334 1.00 74.12 C ATOM 1309 O LYS A 95 -4.437 -9.607 -14.987 1.00 40.14 O ATOM 1310 CB LYS A 95 -3.462 -6.555 -14.516 1.00 11.44 C ATOM 1311 CG LYS A 95 -4.619 -5.717 -13.998 1.00 44.00 C ATOM 1312 CD LYS A 95 -4.186 -4.814 -12.855 1.00 25.30 C ATOM 1313 CE LYS A 95 -5.374 -4.364 -12.020 1.00 10.25 C ATOM 1314 NZ LYS A 95 -5.134 -4.559 -10.563 1.00 2.31 N ATOM 0 H LYS A 95 -4.463 -5.586 -16.548 1.00 1.51 H new ATOM 0 HA LYS A 95 -2.919 -7.892 -16.109 1.00 60.30 H new ATOM 0 HB2 LYS A 95 -3.110 -7.208 -13.717 1.00 11.44 H new ATOM 0 HB3 LYS A 95 -2.634 -5.895 -14.776 1.00 11.44 H new ATOM 0 HG2 LYS A 95 -5.022 -5.111 -14.809 1.00 44.00 H new ATOM 0 HG3 LYS A 95 -5.422 -6.373 -13.661 1.00 44.00 H new ATOM 0 HD2 LYS A 95 -3.474 -5.343 -12.221 1.00 25.30 H new ATOM 0 HD3 LYS A 95 -3.670 -3.941 -13.255 1.00 25.30 H new ATOM 0 HE2 LYS A 95 -5.578 -3.312 -12.217 1.00 10.25 H new ATOM 0 HE3 LYS A 95 -6.261 -4.922 -12.320 1.00 10.25 H new ATOM 0 HZ1 LYS A 95 -5.967 -4.240 -10.028 1.00 2.31 H new ATOM 0 HZ2 LYS A 95 -4.964 -5.567 -10.371 1.00 2.31 H new ATOM 0 HZ3 LYS A 95 -4.303 -4.006 -10.271 1.00 2.31 H new ATOM 1328 N THR A 96 -6.105 -8.150 -15.386 1.00 2.41 N ATOM 1329 CA THR A 96 -7.159 -9.091 -15.030 1.00 10.44 C ATOM 1330 C THR A 96 -7.113 -10.329 -15.917 1.00 30.53 C ATOM 1331 O THR A 96 -7.193 -11.458 -15.430 1.00 71.13 O ATOM 1332 CB THR A 96 -8.552 -8.443 -15.143 1.00 70.14 C ATOM 1333 OG1 THR A 96 -8.561 -7.178 -14.472 1.00 64.24 O ATOM 1334 CG2 THR A 96 -9.619 -9.347 -14.546 1.00 34.24 C ATOM 0 H THR A 96 -6.440 -7.230 -15.672 1.00 2.41 H new ATOM 0 HA THR A 96 -6.986 -9.383 -13.994 1.00 10.44 H new ATOM 0 HB THR A 96 -8.774 -8.294 -16.200 1.00 70.14 H new ATOM 0 HG1 THR A 96 -9.450 -6.772 -14.550 1.00 64.24 H new ATOM 0 HG21 THR A 96 -10.594 -8.868 -14.637 1.00 34.24 H new ATOM 0 HG22 THR A 96 -9.630 -10.298 -15.079 1.00 34.24 H new ATOM 0 HG23 THR A 96 -9.399 -9.524 -13.493 1.00 34.24 H new ATOM 1342 N THR A 97 -6.983 -10.113 -17.222 1.00 2.21 N ATOM 1343 CA THR A 97 -6.926 -11.212 -18.177 1.00 55.13 C ATOM 1344 C THR A 97 -5.820 -12.197 -17.818 1.00 2.31 C ATOM 1345 O THR A 97 -6.077 -13.380 -17.597 1.00 64.51 O ATOM 1346 CB THR A 97 -6.696 -10.699 -19.611 1.00 45.42 C ATOM 1347 OG1 THR A 97 -7.468 -9.514 -19.838 1.00 30.40 O ATOM 1348 CG2 THR A 97 -7.073 -11.760 -20.633 1.00 72.13 C ATOM 0 H THR A 97 -6.915 -9.186 -17.642 1.00 2.21 H new ATOM 0 HA THR A 97 -7.889 -11.720 -18.131 1.00 55.13 H new ATOM 0 HB THR A 97 -5.637 -10.469 -19.725 1.00 45.42 H new ATOM 0 HG1 THR A 97 -7.315 -9.194 -20.751 1.00 30.40 H new ATOM 0 HG21 THR A 97 -6.902 -11.374 -21.638 1.00 72.13 H new ATOM 0 HG22 THR A 97 -6.462 -12.649 -20.477 1.00 72.13 H new ATOM 0 HG23 THR A 97 -8.126 -12.018 -20.518 1.00 72.13 H new ATOM 1356 N TYR A 98 -4.589 -11.701 -17.760 1.00 40.31 N ATOM 1357 CA TYR A 98 -3.442 -12.538 -17.429 1.00 33.22 C ATOM 1358 C TYR A 98 -3.671 -13.280 -16.115 1.00 61.14 C ATOM 1359 O TYR A 98 -3.418 -14.481 -16.015 1.00 31.51 O ATOM 1360 CB TYR A 98 -2.174 -11.688 -17.333 1.00 71.33 C ATOM 1361 CG TYR A 98 -1.278 -11.800 -18.546 1.00 4.03 C ATOM 1362 CD1 TYR A 98 -1.228 -10.785 -19.493 1.00 52.32 C ATOM 1363 CD2 TYR A 98 -0.481 -12.921 -18.745 1.00 0.35 C ATOM 1364 CE1 TYR A 98 -0.411 -10.883 -20.603 1.00 12.51 C ATOM 1365 CE2 TYR A 98 0.340 -13.026 -19.850 1.00 61.44 C ATOM 1366 CZ TYR A 98 0.371 -12.005 -20.777 1.00 3.02 C ATOM 1367 OH TYR A 98 1.187 -12.107 -21.881 1.00 32.15 O ATOM 0 H TYR A 98 -4.360 -10.723 -17.938 1.00 40.31 H new ATOM 0 HA TYR A 98 -3.319 -13.273 -18.224 1.00 33.22 H new ATOM 0 HB2 TYR A 98 -2.456 -10.644 -17.195 1.00 71.33 H new ATOM 0 HB3 TYR A 98 -1.612 -11.987 -16.448 1.00 71.33 H new ATOM 0 HD1 TYR A 98 -1.838 -9.904 -19.359 1.00 52.32 H new ATOM 0 HD2 TYR A 98 -0.504 -13.724 -18.023 1.00 0.35 H new ATOM 0 HE1 TYR A 98 -0.385 -10.085 -21.330 1.00 12.51 H new ATOM 0 HE2 TYR A 98 0.955 -13.903 -19.988 1.00 61.44 H new ATOM 0 HH TYR A 98 1.672 -12.958 -21.852 1.00 32.15 H new ATOM 1377 N LEU A 99 -4.151 -12.556 -15.111 1.00 34.03 N ATOM 1378 CA LEU A 99 -4.416 -13.144 -13.802 1.00 1.10 C ATOM 1379 C LEU A 99 -5.328 -14.360 -13.926 1.00 13.04 C ATOM 1380 O LEU A 99 -5.083 -15.397 -13.310 1.00 3.41 O ATOM 1381 CB LEU A 99 -5.052 -12.107 -12.874 1.00 61.14 C ATOM 1382 CG LEU A 99 -5.484 -12.613 -11.498 1.00 20.42 C ATOM 1383 CD1 LEU A 99 -5.349 -11.512 -10.458 1.00 31.24 C ATOM 1384 CD2 LEU A 99 -6.914 -13.133 -11.545 1.00 45.21 C ATOM 0 H LEU A 99 -4.365 -11.561 -15.177 1.00 34.03 H new ATOM 0 HA LEU A 99 -3.466 -13.468 -13.377 1.00 1.10 H new ATOM 0 HB2 LEU A 99 -4.342 -11.292 -12.733 1.00 61.14 H new ATOM 0 HB3 LEU A 99 -5.924 -11.687 -13.375 1.00 61.14 H new ATOM 0 HG LEU A 99 -4.829 -13.436 -11.213 1.00 20.42 H new ATOM 0 HD11 LEU A 99 -5.661 -11.891 -9.485 1.00 31.24 H new ATOM 0 HD12 LEU A 99 -4.310 -11.187 -10.405 1.00 31.24 H new ATOM 0 HD13 LEU A 99 -5.979 -10.668 -10.738 1.00 31.24 H new ATOM 0 HD21 LEU A 99 -7.204 -13.489 -10.557 1.00 45.21 H new ATOM 0 HD22 LEU A 99 -7.583 -12.330 -11.852 1.00 45.21 H new ATOM 0 HD23 LEU A 99 -6.980 -13.953 -12.260 1.00 45.21 H new ATOM 1396 N GLU A 100 -6.380 -14.225 -14.727 1.00 72.22 N ATOM 1397 CA GLU A 100 -7.328 -15.314 -14.932 1.00 70.22 C ATOM 1398 C GLU A 100 -6.666 -16.483 -15.656 1.00 44.01 C ATOM 1399 O GLU A 100 -6.927 -17.646 -15.348 1.00 40.13 O ATOM 1400 CB GLU A 100 -8.537 -14.824 -15.732 1.00 20.02 C ATOM 1401 CG GLU A 100 -9.696 -15.806 -15.746 1.00 34.05 C ATOM 1402 CD GLU A 100 -10.553 -15.680 -16.990 1.00 61.05 C ATOM 1403 OE1 GLU A 100 -11.559 -14.942 -16.945 1.00 53.22 O ATOM 1404 OE2 GLU A 100 -10.217 -16.319 -18.009 1.00 75.33 O ATOM 0 H GLU A 100 -6.597 -13.373 -15.244 1.00 72.22 H new ATOM 0 HA GLU A 100 -7.664 -15.658 -13.954 1.00 70.22 H new ATOM 0 HB2 GLU A 100 -8.879 -13.877 -15.314 1.00 20.02 H new ATOM 0 HB3 GLU A 100 -8.227 -14.626 -16.758 1.00 20.02 H new ATOM 0 HG2 GLU A 100 -9.307 -16.822 -15.679 1.00 34.05 H new ATOM 0 HG3 GLU A 100 -10.316 -15.643 -14.864 1.00 34.05 H new ATOM 1411 N ARG A 101 -5.808 -16.165 -16.620 1.00 4.42 N ATOM 1412 CA ARG A 101 -5.109 -17.187 -17.389 1.00 61.21 C ATOM 1413 C ARG A 101 -4.273 -18.078 -16.475 1.00 64.34 C ATOM 1414 O ARG A 101 -4.465 -19.294 -16.429 1.00 51.51 O ATOM 1415 CB ARG A 101 -4.213 -16.538 -18.445 1.00 41.33 C ATOM 1416 CG ARG A 101 -4.381 -17.131 -19.835 1.00 1.24 C ATOM 1417 CD ARG A 101 -5.721 -16.750 -20.445 1.00 21.15 C ATOM 1418 NE ARG A 101 -5.564 -16.049 -21.716 1.00 12.32 N ATOM 1419 CZ ARG A 101 -5.269 -16.657 -22.859 1.00 40.03 C ATOM 1420 NH1 ARG A 101 -5.100 -17.972 -22.890 1.00 41.42 N ATOM 1421 NH2 ARG A 101 -5.143 -15.950 -23.975 1.00 41.10 N ATOM 0 H ARG A 101 -5.580 -15.207 -16.887 1.00 4.42 H new ATOM 0 HA ARG A 101 -5.856 -17.805 -17.887 1.00 61.21 H new ATOM 0 HB2 ARG A 101 -4.429 -15.470 -18.486 1.00 41.33 H new ATOM 0 HB3 ARG A 101 -3.172 -16.641 -18.139 1.00 41.33 H new ATOM 0 HG2 ARG A 101 -3.574 -16.783 -20.480 1.00 1.24 H new ATOM 0 HG3 ARG A 101 -4.300 -18.217 -19.781 1.00 1.24 H new ATOM 0 HD2 ARG A 101 -6.318 -17.649 -20.598 1.00 21.15 H new ATOM 0 HD3 ARG A 101 -6.270 -16.117 -19.748 1.00 21.15 H new ATOM 0 HE ARG A 101 -5.688 -15.037 -21.727 1.00 12.32 H new ATOM 0 HH11 ARG A 101 -5.197 -18.519 -22.034 1.00 41.42 H new ATOM 0 HH12 ARG A 101 -4.873 -18.436 -23.769 1.00 41.42 H new ATOM 0 HH21 ARG A 101 -5.273 -14.938 -23.955 1.00 41.10 H new ATOM 0 HH22 ARG A 101 -4.916 -16.418 -24.852 1.00 41.10 H new ATOM 1435 N LYS A 102 -3.343 -17.466 -15.750 1.00 62.20 N ATOM 1436 CA LYS A 102 -2.477 -18.202 -14.837 1.00 23.23 C ATOM 1437 C LYS A 102 -3.297 -18.928 -13.775 1.00 71.01 C ATOM 1438 O LYS A 102 -3.023 -20.082 -13.447 1.00 4.22 O ATOM 1439 CB LYS A 102 -1.483 -17.251 -14.166 1.00 64.32 C ATOM 1440 CG LYS A 102 -2.144 -16.087 -13.449 1.00 24.12 C ATOM 1441 CD LYS A 102 -1.136 -15.008 -13.091 1.00 43.42 C ATOM 1442 CE LYS A 102 -0.129 -15.503 -12.065 1.00 22.33 C ATOM 1443 NZ LYS A 102 0.223 -14.445 -11.077 1.00 63.45 N ATOM 0 H LYS A 102 -3.170 -16.461 -15.777 1.00 62.20 H new ATOM 0 HA LYS A 102 -1.927 -18.944 -15.417 1.00 23.23 H new ATOM 0 HB2 LYS A 102 -0.882 -17.813 -13.451 1.00 64.32 H new ATOM 0 HB3 LYS A 102 -0.800 -16.861 -14.921 1.00 64.32 H new ATOM 0 HG2 LYS A 102 -2.923 -15.663 -14.083 1.00 24.12 H new ATOM 0 HG3 LYS A 102 -2.631 -16.446 -12.543 1.00 24.12 H new ATOM 0 HD2 LYS A 102 -0.612 -14.686 -13.991 1.00 43.42 H new ATOM 0 HD3 LYS A 102 -1.659 -14.136 -12.698 1.00 43.42 H new ATOM 0 HE2 LYS A 102 -0.539 -16.367 -11.541 1.00 22.33 H new ATOM 0 HE3 LYS A 102 0.774 -15.838 -12.575 1.00 22.33 H new ATOM 0 HZ1 LYS A 102 0.912 -14.822 -10.395 1.00 63.45 H new ATOM 0 HZ2 LYS A 102 0.638 -13.631 -11.573 1.00 63.45 H new ATOM 0 HZ3 LYS A 102 -0.634 -14.143 -10.572 1.00 63.45 H new ATOM 1457 N ALA A 103 -4.305 -18.245 -13.243 1.00 54.23 N ATOM 1458 CA ALA A 103 -5.167 -18.826 -12.222 1.00 35.11 C ATOM 1459 C ALA A 103 -5.779 -20.138 -12.701 1.00 61.33 C ATOM 1460 O ALA A 103 -5.833 -21.116 -11.957 1.00 31.33 O ATOM 1461 CB ALA A 103 -6.261 -17.843 -11.833 1.00 35.05 C ATOM 0 H ALA A 103 -4.545 -17.288 -13.503 1.00 54.23 H new ATOM 0 HA ALA A 103 -4.556 -19.039 -11.345 1.00 35.11 H new ATOM 0 HB1 ALA A 103 -6.897 -18.290 -11.070 1.00 35.05 H new ATOM 0 HB2 ALA A 103 -5.809 -16.932 -11.441 1.00 35.05 H new ATOM 0 HB3 ALA A 103 -6.862 -17.601 -12.710 1.00 35.05 H new ATOM 1467 N GLU A 104 -6.238 -20.151 -13.949 1.00 14.13 N ATOM 1468 CA GLU A 104 -6.847 -21.344 -14.526 1.00 15.53 C ATOM 1469 C GLU A 104 -5.799 -22.424 -14.775 1.00 43.41 C ATOM 1470 O GLU A 104 -6.045 -23.607 -14.543 1.00 42.32 O ATOM 1471 CB GLU A 104 -7.560 -20.997 -15.835 1.00 21.03 C ATOM 1472 CG GLU A 104 -8.942 -21.617 -15.958 1.00 65.33 C ATOM 1473 CD GLU A 104 -8.970 -22.791 -16.918 1.00 33.22 C ATOM 1474 OE1 GLU A 104 -8.345 -22.692 -17.994 1.00 51.04 O ATOM 1475 OE2 GLU A 104 -9.618 -23.808 -16.593 1.00 25.24 O ATOM 0 H GLU A 104 -6.200 -19.350 -14.579 1.00 14.13 H new ATOM 0 HA GLU A 104 -7.577 -21.729 -13.814 1.00 15.53 H new ATOM 0 HB2 GLU A 104 -7.649 -19.914 -15.915 1.00 21.03 H new ATOM 0 HB3 GLU A 104 -6.946 -21.329 -16.672 1.00 21.03 H new ATOM 0 HG2 GLU A 104 -9.277 -21.948 -14.975 1.00 65.33 H new ATOM 0 HG3 GLU A 104 -9.648 -20.859 -16.296 1.00 65.33 H new ATOM 1482 N GLU A 105 -4.629 -22.006 -15.250 1.00 32.33 N ATOM 1483 CA GLU A 105 -3.544 -22.938 -15.532 1.00 63.20 C ATOM 1484 C GLU A 105 -3.188 -23.752 -14.291 1.00 15.22 C ATOM 1485 O GLU A 105 -3.167 -24.982 -14.328 1.00 35.43 O ATOM 1486 CB GLU A 105 -2.310 -22.183 -16.030 1.00 40.24 C ATOM 1487 CG GLU A 105 -1.176 -23.093 -16.470 1.00 44.14 C ATOM 1488 CD GLU A 105 0.090 -22.328 -16.804 1.00 43.23 C ATOM 1489 OE1 GLU A 105 0.009 -21.364 -17.595 1.00 21.12 O ATOM 1490 OE2 GLU A 105 1.161 -22.692 -16.276 1.00 63.21 O ATOM 0 H GLU A 105 -4.409 -21.030 -15.447 1.00 32.33 H new ATOM 0 HA GLU A 105 -3.882 -23.623 -16.310 1.00 63.20 H new ATOM 0 HB2 GLU A 105 -2.598 -21.545 -16.866 1.00 40.24 H new ATOM 0 HB3 GLU A 105 -1.951 -21.527 -15.237 1.00 40.24 H new ATOM 0 HG2 GLU A 105 -0.964 -23.811 -15.678 1.00 44.14 H new ATOM 0 HG3 GLU A 105 -1.492 -23.665 -17.343 1.00 44.14 H new ATOM 1497 N ILE A 106 -2.910 -23.055 -13.194 1.00 64.41 N ATOM 1498 CA ILE A 106 -2.556 -23.712 -11.942 1.00 62.40 C ATOM 1499 C ILE A 106 -3.730 -24.515 -11.391 1.00 43.15 C ATOM 1500 O ILE A 106 -3.543 -25.561 -10.771 1.00 21.02 O ATOM 1501 CB ILE A 106 -2.102 -22.693 -10.880 1.00 72.31 C ATOM 1502 CG1 ILE A 106 -1.657 -23.415 -9.606 1.00 71.05 C ATOM 1503 CG2 ILE A 106 -3.224 -21.712 -10.575 1.00 3.22 C ATOM 1504 CD1 ILE A 106 -0.260 -23.045 -9.159 1.00 15.22 C ATOM 0 H ILE A 106 -2.923 -22.036 -13.147 1.00 64.41 H new ATOM 0 HA ILE A 106 -1.729 -24.387 -12.163 1.00 62.40 H new ATOM 0 HB ILE A 106 -1.253 -22.134 -11.273 1.00 72.31 H new ATOM 0 HG12 ILE A 106 -2.359 -23.186 -8.804 1.00 71.05 H new ATOM 0 HG13 ILE A 106 -1.703 -24.491 -9.773 1.00 71.05 H new ATOM 0 HG21 ILE A 106 -2.889 -20.998 -9.823 1.00 3.22 H new ATOM 0 HG22 ILE A 106 -3.498 -21.178 -11.485 1.00 3.22 H new ATOM 0 HG23 ILE A 106 -4.090 -22.256 -10.198 1.00 3.22 H new ATOM 0 HD11 ILE A 106 -0.011 -23.594 -8.251 1.00 15.22 H new ATOM 0 HD12 ILE A 106 0.452 -23.300 -9.944 1.00 15.22 H new ATOM 0 HD13 ILE A 106 -0.213 -21.974 -8.960 1.00 15.22 H new ATOM 1516 N ALA A 107 -4.940 -24.018 -11.625 1.00 32.32 N ATOM 1517 CA ALA A 107 -6.145 -24.691 -11.156 1.00 13.12 C ATOM 1518 C ALA A 107 -6.254 -26.094 -11.743 1.00 34.24 C ATOM 1519 O ALA A 107 -6.616 -27.042 -11.046 1.00 1.01 O ATOM 1520 CB ALA A 107 -7.378 -23.872 -11.509 1.00 10.14 C ATOM 0 H ALA A 107 -5.112 -23.152 -12.136 1.00 32.32 H new ATOM 0 HA ALA A 107 -6.081 -24.783 -10.072 1.00 13.12 H new ATOM 0 HB1 ALA A 107 -8.271 -24.386 -11.153 1.00 10.14 H new ATOM 0 HB2 ALA A 107 -7.311 -22.892 -11.037 1.00 10.14 H new ATOM 0 HB3 ALA A 107 -7.437 -23.750 -12.591 1.00 10.14 H new ATOM 1526 N ALA A 108 -5.940 -26.219 -13.028 1.00 32.22 N ATOM 1527 CA ALA A 108 -6.002 -27.507 -13.707 1.00 61.25 C ATOM 1528 C ALA A 108 -4.927 -28.455 -13.186 1.00 34.22 C ATOM 1529 O ALA A 108 -5.174 -29.647 -12.999 1.00 64.10 O ATOM 1530 CB ALA A 108 -5.857 -27.318 -15.210 1.00 75.43 C ATOM 0 H ALA A 108 -5.640 -25.444 -13.620 1.00 32.22 H new ATOM 0 HA ALA A 108 -6.975 -27.953 -13.499 1.00 61.25 H new ATOM 0 HB1 ALA A 108 -5.905 -28.288 -15.705 1.00 75.43 H new ATOM 0 HB2 ALA A 108 -6.664 -26.683 -15.576 1.00 75.43 H new ATOM 0 HB3 ALA A 108 -4.898 -26.847 -15.427 1.00 75.43 H new ATOM 1536 N LYS A 109 -3.734 -27.919 -12.953 1.00 13.12 N ATOM 1537 CA LYS A 109 -2.621 -28.716 -12.452 1.00 71.40 C ATOM 1538 C LYS A 109 -2.932 -29.275 -11.067 1.00 63.11 C ATOM 1539 O LYS A 109 -2.782 -30.472 -10.821 1.00 73.33 O ATOM 1540 CB LYS A 109 -1.346 -27.872 -12.399 1.00 24.33 C ATOM 1541 CG LYS A 109 -1.052 -27.131 -13.692 1.00 34.04 C ATOM 1542 CD LYS A 109 0.332 -27.462 -14.222 1.00 63.14 C ATOM 1543 CE LYS A 109 0.426 -28.914 -14.667 1.00 43.55 C ATOM 1544 NZ LYS A 109 1.840 -29.353 -14.831 1.00 34.35 N ATOM 0 H LYS A 109 -3.513 -26.935 -13.103 1.00 13.12 H new ATOM 0 HA LYS A 109 -2.468 -29.551 -13.135 1.00 71.40 H new ATOM 0 HB2 LYS A 109 -1.432 -27.149 -11.588 1.00 24.33 H new ATOM 0 HB3 LYS A 109 -0.502 -28.519 -12.161 1.00 24.33 H new ATOM 0 HG2 LYS A 109 -1.801 -27.391 -14.440 1.00 34.04 H new ATOM 0 HG3 LYS A 109 -1.131 -26.057 -13.523 1.00 34.04 H new ATOM 0 HD2 LYS A 109 0.568 -26.807 -15.061 1.00 63.14 H new ATOM 0 HD3 LYS A 109 1.075 -27.269 -13.448 1.00 63.14 H new ATOM 0 HE2 LYS A 109 -0.070 -29.551 -13.935 1.00 43.55 H new ATOM 0 HE3 LYS A 109 -0.105 -29.040 -15.610 1.00 43.55 H new ATOM 0 HZ1 LYS A 109 1.862 -30.347 -15.135 1.00 34.35 H new ATOM 0 HZ2 LYS A 109 2.306 -28.762 -15.548 1.00 34.35 H new ATOM 0 HZ3 LYS A 109 2.341 -29.257 -13.925 1.00 34.35 H new ATOM 1558 N LYS A 110 -3.366 -28.401 -10.165 1.00 71.33 N ATOM 1559 CA LYS A 110 -3.701 -28.807 -8.805 1.00 40.05 C ATOM 1560 C LYS A 110 -5.095 -29.422 -8.749 1.00 75.51 C ATOM 1561 O LYS A 110 -5.351 -30.335 -7.962 1.00 43.53 O ATOM 1562 CB LYS A 110 -3.623 -27.607 -7.859 1.00 51.44 C ATOM 1563 CG LYS A 110 -2.435 -27.653 -6.915 1.00 4.32 C ATOM 1564 CD LYS A 110 -2.587 -26.656 -5.778 1.00 43.11 C ATOM 1565 CE LYS A 110 -1.249 -26.044 -5.391 1.00 53.40 C ATOM 1566 NZ LYS A 110 -0.369 -27.026 -4.699 1.00 13.52 N ATOM 0 H LYS A 110 -3.494 -27.406 -10.351 1.00 71.33 H new ATOM 0 HA LYS A 110 -2.978 -29.559 -8.488 1.00 40.05 H new ATOM 0 HB2 LYS A 110 -3.572 -26.692 -8.450 1.00 51.44 H new ATOM 0 HB3 LYS A 110 -4.541 -27.557 -7.273 1.00 51.44 H new ATOM 0 HG2 LYS A 110 -2.332 -28.659 -6.507 1.00 4.32 H new ATOM 0 HG3 LYS A 110 -1.521 -27.438 -7.468 1.00 4.32 H new ATOM 0 HD2 LYS A 110 -3.277 -25.866 -6.075 1.00 43.11 H new ATOM 0 HD3 LYS A 110 -3.025 -27.153 -4.913 1.00 43.11 H new ATOM 0 HE2 LYS A 110 -0.747 -25.673 -6.285 1.00 53.40 H new ATOM 0 HE3 LYS A 110 -1.417 -25.186 -4.741 1.00 53.40 H new ATOM 0 HZ1 LYS A 110 0.533 -26.570 -4.452 1.00 13.52 H new ATOM 0 HZ2 LYS A 110 -0.837 -27.361 -3.833 1.00 13.52 H new ATOM 0 HZ3 LYS A 110 -0.188 -27.834 -5.329 1.00 13.52 H new