USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 91 SER OG : rot -72:sc= 0.754 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.663 USER MOD Set 2.1: A 23 GLN : amide:sc= 0.311 K(o=2.2,f=-14!) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -112:sc= 1.9 (180deg=1.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0528 (180deg=-0.0651) USER MOD Single : A 3 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.31) USER MOD Single : A 4 HIS : no HD1:sc= -0.805 K(o=-0.8,f=0.15) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.72) USER MOD Single : A 7 HIS : no HD1:sc=-0.00412 X(o=-0.0041,f=0) USER MOD Single : A 8 HIS : no HD1:sc=-0.00344 X(o=-0.0034,f=0) USER MOD Single : A 9 SER OG : rot -105:sc= 0.914 USER MOD Single : A 10 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.022) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 140:sc= 0.965 (180deg=-0.0621) USER MOD Single : A 17 MET CE :methyl 167:sc= 0 (180deg=-0.215) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -140:sc=-0.00612 (180deg=-0.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0121 (180deg=-0.156) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -130:sc= -0.477 (180deg=-1.94!) USER MOD Single : A 37 CYS SG : rot 174:sc= -0.519 USER MOD Single : A 38 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -1.43 (180deg=-3.95!) USER MOD Single : A 52 ASN : amide:sc= 0.0703 K(o=0.07,f=-4.3!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 MET CE :methyl -154:sc= -1.07 (180deg=-2.8!) USER MOD Single : A 57 GLN : amide:sc= -0.755 K(o=-0.76,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.997 K(o=-1,f=-2.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 64 SER OG : rot 180:sc= -0.27 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.572 K(o=-0.57,f=-2!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 70 THR OG1 : rot -34:sc= 0.602 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.0922) USER MOD Single : A 81 ASN : amide:sc= -5.33! K(o=-5.3!,f=-0.53) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.109 (180deg=-0.601) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -10:sc= 0.407 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.76! C(o=-3.8!,f=-14!) USER MOD Single : A 99 THR OG1 : rot -126:sc= 0.448 USER MOD Single : A 101 CYS SG : rot 170:sc= -0.334! USER MOD Single : A 102 ASN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD Single : A 103 THR OG1 : rot 170:sc= -1.74! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.423 -35.277 17.256 1.00 45.03 N ATOM 2 CA MET A 1 27.930 -35.002 18.638 1.00 21.35 C ATOM 3 C MET A 1 27.466 -33.546 18.788 1.00 61.55 C ATOM 4 O MET A 1 27.740 -32.708 17.927 1.00 24.02 O ATOM 5 CB MET A 1 29.023 -35.323 19.674 1.00 62.10 C ATOM 6 CG MET A 1 30.295 -34.496 19.525 1.00 65.14 C ATOM 7 SD MET A 1 31.556 -34.949 20.736 1.00 22.31 S ATOM 8 CE MET A 1 32.865 -33.791 20.336 1.00 5.10 C ATOM 0 H1 MET A 1 29.330 -35.783 17.305 1.00 45.03 H new ATOM 0 H2 MET A 1 27.728 -35.861 16.749 1.00 45.03 H new ATOM 0 H3 MET A 1 28.555 -34.378 16.749 1.00 45.03 H new ATOM 0 HA MET A 1 27.071 -35.649 18.819 1.00 21.35 H new ATOM 0 HB2 MET A 1 28.617 -35.165 20.673 1.00 62.10 H new ATOM 0 HB3 MET A 1 29.280 -36.379 19.597 1.00 62.10 H new ATOM 0 HG2 MET A 1 30.696 -34.629 18.520 1.00 65.14 H new ATOM 0 HG3 MET A 1 30.053 -33.439 19.635 1.00 65.14 H new ATOM 0 HE1 MET A 1 33.711 -33.953 21.004 1.00 5.10 H new ATOM 0 HE2 MET A 1 33.183 -33.943 19.305 1.00 5.10 H new ATOM 0 HE3 MET A 1 32.498 -32.772 20.456 1.00 5.10 H new ATOM 20 N GLY A 2 26.755 -33.252 19.880 1.00 41.13 N ATOM 21 CA GLY A 2 26.245 -31.903 20.114 1.00 55.41 C ATOM 22 C GLY A 2 24.843 -31.698 19.546 1.00 40.22 C ATOM 23 O GLY A 2 24.497 -32.284 18.518 1.00 71.02 O ATOM 0 H GLY A 2 26.522 -33.926 20.609 1.00 41.13 H new ATOM 0 HA2 GLY A 2 26.231 -31.705 21.186 1.00 55.41 H new ATOM 0 HA3 GLY A 2 26.924 -31.179 19.665 1.00 55.41 H new ATOM 27 N HIS A 3 24.033 -30.871 20.215 1.00 30.22 N ATOM 28 CA HIS A 3 22.665 -30.581 19.757 1.00 15.02 C ATOM 29 C HIS A 3 22.658 -30.072 18.303 1.00 60.53 C ATOM 30 O HIS A 3 23.265 -29.050 17.986 1.00 23.40 O ATOM 31 CB HIS A 3 21.985 -29.564 20.691 1.00 65.45 C ATOM 32 CG HIS A 3 22.721 -28.262 20.843 1.00 72.14 C ATOM 33 ND1 HIS A 3 23.690 -28.046 21.801 1.00 13.35 N ATOM 34 CD2 HIS A 3 22.617 -27.097 20.157 1.00 70.33 C ATOM 35 CE1 HIS A 3 24.148 -26.814 21.694 1.00 73.33 C ATOM 36 NE2 HIS A 3 23.514 -26.218 20.706 1.00 5.41 N ATOM 0 H HIS A 3 24.298 -30.390 21.075 1.00 30.22 H new ATOM 0 HA HIS A 3 22.098 -31.512 19.787 1.00 15.02 H new ATOM 0 HB2 HIS A 3 20.983 -29.358 20.314 1.00 65.45 H new ATOM 0 HB3 HIS A 3 21.868 -30.017 21.676 1.00 65.45 H new ATOM 0 HD2 HIS A 3 21.951 -26.898 19.331 1.00 70.33 H new ATOM 0 HE1 HIS A 3 24.914 -26.369 22.312 1.00 73.33 H new ATOM 0 HE2 HIS A 3 23.666 -25.257 20.399 1.00 5.41 H new ATOM 45 N HIS A 4 21.961 -30.789 17.427 1.00 52.42 N ATOM 46 CA HIS A 4 22.023 -30.523 15.984 1.00 30.34 C ATOM 47 C HIS A 4 20.628 -30.449 15.335 1.00 14.32 C ATOM 48 O HIS A 4 20.502 -30.544 14.113 1.00 24.45 O ATOM 49 CB HIS A 4 22.878 -31.602 15.296 1.00 42.43 C ATOM 50 CG HIS A 4 22.430 -33.006 15.584 1.00 20.21 C ATOM 51 ND1 HIS A 4 21.829 -33.812 14.646 1.00 24.43 N ATOM 52 CD2 HIS A 4 22.500 -33.747 16.715 1.00 11.21 C ATOM 53 CE1 HIS A 4 21.545 -34.979 15.183 1.00 54.33 C ATOM 54 NE2 HIS A 4 21.939 -34.967 16.439 1.00 52.12 N ATOM 0 H HIS A 4 21.345 -31.560 17.686 1.00 52.42 H new ATOM 0 HA HIS A 4 22.483 -29.544 15.850 1.00 30.34 H new ATOM 0 HB2 HIS A 4 22.856 -31.437 14.219 1.00 42.43 H new ATOM 0 HB3 HIS A 4 23.914 -31.489 15.615 1.00 42.43 H new ATOM 0 HD2 HIS A 4 22.920 -33.435 17.660 1.00 11.21 H new ATOM 0 HE1 HIS A 4 21.069 -35.807 14.679 1.00 54.33 H new ATOM 0 HE2 HIS A 4 21.843 -35.739 17.099 1.00 52.12 H new ATOM 63 N HIS A 5 19.584 -30.272 16.147 1.00 11.53 N ATOM 64 CA HIS A 5 18.215 -30.104 15.624 1.00 62.23 C ATOM 65 C HIS A 5 18.013 -28.694 15.037 1.00 65.24 C ATOM 66 O HIS A 5 17.170 -28.484 14.160 1.00 12.11 O ATOM 67 CB HIS A 5 17.182 -30.360 16.730 1.00 13.14 C ATOM 68 CG HIS A 5 15.756 -30.221 16.276 1.00 64.12 C ATOM 69 ND1 HIS A 5 14.922 -29.211 16.709 1.00 11.22 N ATOM 70 CD2 HIS A 5 15.013 -30.971 15.424 1.00 51.12 C ATOM 71 CE1 HIS A 5 13.739 -29.344 16.149 1.00 33.25 C ATOM 72 NE2 HIS A 5 13.763 -30.401 15.364 1.00 55.23 N ATOM 0 H HIS A 5 19.653 -30.240 17.164 1.00 11.53 H new ATOM 0 HA HIS A 5 18.073 -30.833 14.826 1.00 62.23 H new ATOM 0 HB2 HIS A 5 17.330 -31.364 17.127 1.00 13.14 H new ATOM 0 HB3 HIS A 5 17.362 -29.664 17.549 1.00 13.14 H new ATOM 0 HD2 HIS A 5 15.342 -31.852 14.892 1.00 51.12 H new ATOM 0 HE1 HIS A 5 12.890 -28.695 16.307 1.00 33.25 H new ATOM 0 HE2 HIS A 5 12.982 -30.741 14.803 1.00 55.23 H new ATOM 81 N HIS A 6 18.772 -27.729 15.550 1.00 4.24 N ATOM 82 CA HIS A 6 18.751 -26.358 15.024 1.00 61.34 C ATOM 83 C HIS A 6 19.248 -26.311 13.567 1.00 12.40 C ATOM 84 O HIS A 6 20.227 -26.972 13.214 1.00 52.25 O ATOM 85 CB HIS A 6 19.611 -25.435 15.901 1.00 55.11 C ATOM 86 CG HIS A 6 21.060 -25.822 15.941 1.00 21.30 C ATOM 87 ND1 HIS A 6 22.051 -25.125 15.280 1.00 0.03 N ATOM 88 CD2 HIS A 6 21.683 -26.847 16.564 1.00 11.21 C ATOM 89 CE1 HIS A 6 23.214 -25.707 15.493 1.00 44.41 C ATOM 90 NE2 HIS A 6 23.016 -26.754 16.267 1.00 32.34 N ATOM 0 H HIS A 6 19.412 -27.867 16.332 1.00 4.24 H new ATOM 0 HA HIS A 6 17.718 -26.010 15.044 1.00 61.34 H new ATOM 0 HB2 HIS A 6 19.527 -24.413 15.530 1.00 55.11 H new ATOM 0 HB3 HIS A 6 19.214 -25.439 16.916 1.00 55.11 H new ATOM 0 HD2 HIS A 6 21.216 -27.600 17.182 1.00 11.21 H new ATOM 0 HE1 HIS A 6 24.166 -25.381 15.100 1.00 44.41 H new ATOM 0 HE2 HIS A 6 23.740 -27.394 16.593 1.00 32.34 H new ATOM 99 N HIS A 7 18.565 -25.532 12.727 1.00 51.43 N ATOM 100 CA HIS A 7 18.931 -25.411 11.309 1.00 23.31 C ATOM 101 C HIS A 7 20.349 -24.835 11.121 1.00 70.14 C ATOM 102 O HIS A 7 20.808 -23.996 11.897 1.00 1.12 O ATOM 103 CB HIS A 7 17.890 -24.568 10.556 1.00 65.23 C ATOM 104 CG HIS A 7 16.560 -25.253 10.432 1.00 5.32 C ATOM 105 ND1 HIS A 7 15.362 -24.666 10.783 1.00 42.35 N ATOM 106 CD2 HIS A 7 16.242 -26.489 9.971 1.00 72.33 C ATOM 107 CE1 HIS A 7 14.376 -25.505 10.548 1.00 55.33 C ATOM 108 NE2 HIS A 7 14.880 -26.617 10.056 1.00 40.34 N ATOM 0 H HIS A 7 17.756 -24.975 13.000 1.00 51.43 H new ATOM 0 HA HIS A 7 18.939 -26.416 10.887 1.00 23.31 H new ATOM 0 HB2 HIS A 7 17.756 -23.618 11.074 1.00 65.23 H new ATOM 0 HB3 HIS A 7 18.268 -24.338 9.560 1.00 65.23 H new ATOM 0 HD2 HIS A 7 16.934 -27.233 9.605 1.00 72.33 H new ATOM 0 HE1 HIS A 7 13.329 -25.313 10.729 1.00 55.33 H new ATOM 0 HE2 HIS A 7 14.344 -27.440 9.782 1.00 40.34 H new ATOM 117 N HIS A 8 21.024 -25.297 10.068 1.00 75.11 N ATOM 118 CA HIS A 8 22.441 -24.988 9.824 1.00 62.01 C ATOM 119 C HIS A 8 22.682 -23.498 9.506 1.00 2.02 C ATOM 120 O HIS A 8 23.792 -22.995 9.685 1.00 2.44 O ATOM 121 CB HIS A 8 22.945 -25.863 8.665 1.00 33.44 C ATOM 122 CG HIS A 8 24.426 -25.811 8.437 1.00 23.55 C ATOM 123 ND1 HIS A 8 25.290 -26.760 8.933 1.00 62.31 N ATOM 124 CD2 HIS A 8 25.197 -24.938 7.740 1.00 64.34 C ATOM 125 CE1 HIS A 8 26.518 -26.477 8.562 1.00 5.05 C ATOM 126 NE2 HIS A 8 26.492 -25.380 7.836 1.00 62.12 N ATOM 0 H HIS A 8 20.607 -25.897 9.357 1.00 75.11 H new ATOM 0 HA HIS A 8 22.993 -25.203 10.739 1.00 62.01 H new ATOM 0 HB2 HIS A 8 22.657 -26.897 8.857 1.00 33.44 H new ATOM 0 HB3 HIS A 8 22.439 -25.556 7.750 1.00 33.44 H new ATOM 0 HD2 HIS A 8 24.855 -24.061 7.210 1.00 64.34 H new ATOM 0 HE1 HIS A 8 27.400 -27.048 8.811 1.00 5.05 H new ATOM 0 HE2 HIS A 8 27.304 -24.931 7.413 1.00 62.12 H new ATOM 135 N SER A 9 21.649 -22.807 9.027 1.00 1.24 N ATOM 136 CA SER A 9 21.786 -21.403 8.602 1.00 54.21 C ATOM 137 C SER A 9 22.037 -20.453 9.787 1.00 10.40 C ATOM 138 O SER A 9 21.419 -20.580 10.847 1.00 54.04 O ATOM 139 CB SER A 9 20.542 -20.941 7.833 1.00 50.04 C ATOM 140 OG SER A 9 20.723 -19.637 7.302 1.00 2.12 O ATOM 0 H SER A 9 20.709 -23.189 8.921 1.00 1.24 H new ATOM 0 HA SER A 9 22.657 -21.362 7.948 1.00 54.21 H new ATOM 0 HB2 SER A 9 20.331 -21.640 7.024 1.00 50.04 H new ATOM 0 HB3 SER A 9 19.677 -20.950 8.496 1.00 50.04 H new ATOM 0 HG SER A 9 20.211 -18.993 7.834 1.00 2.12 H new ATOM 146 N HIS A 10 22.935 -19.484 9.583 1.00 22.43 N ATOM 147 CA HIS A 10 23.278 -18.501 10.622 1.00 30.22 C ATOM 148 C HIS A 10 22.143 -17.483 10.816 1.00 14.12 C ATOM 149 O HIS A 10 21.602 -17.337 11.917 1.00 33.35 O ATOM 150 CB HIS A 10 24.579 -17.764 10.259 1.00 64.43 C ATOM 151 CG HIS A 10 25.788 -18.648 10.178 1.00 60.21 C ATOM 152 ND1 HIS A 10 27.017 -18.291 10.690 1.00 70.45 N ATOM 153 CD2 HIS A 10 25.967 -19.866 9.613 1.00 34.00 C ATOM 154 CE1 HIS A 10 27.892 -19.244 10.442 1.00 12.44 C ATOM 155 NE2 HIS A 10 27.282 -20.210 9.790 1.00 51.04 N ATOM 0 H HIS A 10 23.440 -19.357 8.706 1.00 22.43 H new ATOM 0 HA HIS A 10 23.422 -19.043 11.557 1.00 30.22 H new ATOM 0 HB2 HIS A 10 24.444 -17.264 9.300 1.00 64.43 H new ATOM 0 HB3 HIS A 10 24.761 -16.986 11.001 1.00 64.43 H new ATOM 0 HD2 HIS A 10 25.213 -20.457 9.115 1.00 34.00 H new ATOM 0 HE1 HIS A 10 28.934 -19.234 10.726 1.00 12.44 H new ATOM 0 HE2 HIS A 10 27.717 -21.075 9.468 1.00 51.04 H new ATOM 164 N GLU A 11 21.793 -16.778 9.742 1.00 50.31 N ATOM 165 CA GLU A 11 20.687 -15.815 9.763 1.00 33.50 C ATOM 166 C GLU A 11 19.382 -16.465 9.278 1.00 22.14 C ATOM 167 O GLU A 11 19.399 -17.477 8.575 1.00 62.22 O ATOM 168 CB GLU A 11 21.028 -14.595 8.892 1.00 71.45 C ATOM 169 CG GLU A 11 22.195 -13.767 9.424 1.00 52.31 C ATOM 170 CD GLU A 11 22.539 -12.575 8.541 1.00 72.43 C ATOM 171 OE1 GLU A 11 21.744 -11.613 8.496 1.00 14.33 O ATOM 172 OE2 GLU A 11 23.612 -12.584 7.900 1.00 53.00 O ATOM 0 H GLU A 11 22.261 -16.855 8.839 1.00 50.31 H new ATOM 0 HA GLU A 11 20.542 -15.487 10.792 1.00 33.50 H new ATOM 0 HB2 GLU A 11 21.265 -14.935 7.884 1.00 71.45 H new ATOM 0 HB3 GLU A 11 20.147 -13.957 8.815 1.00 71.45 H new ATOM 0 HG2 GLU A 11 21.952 -13.411 10.425 1.00 52.31 H new ATOM 0 HG3 GLU A 11 23.073 -14.407 9.517 1.00 52.31 H new ATOM 179 N HIS A 12 18.250 -15.880 9.654 1.00 31.41 N ATOM 180 CA HIS A 12 16.940 -16.443 9.309 1.00 42.43 C ATOM 181 C HIS A 12 16.374 -15.815 8.027 1.00 70.42 C ATOM 182 O HIS A 12 16.052 -14.632 8.000 1.00 64.14 O ATOM 183 CB HIS A 12 15.970 -16.230 10.474 1.00 4.13 C ATOM 184 CG HIS A 12 16.455 -16.826 11.759 1.00 15.55 C ATOM 185 ND1 HIS A 12 17.338 -16.186 12.605 1.00 63.32 N ATOM 186 CD2 HIS A 12 16.185 -18.015 12.340 1.00 14.34 C ATOM 187 CE1 HIS A 12 17.588 -16.956 13.641 1.00 62.12 C ATOM 188 NE2 HIS A 12 16.903 -18.069 13.507 1.00 52.20 N ATOM 0 H HIS A 12 18.208 -15.018 10.197 1.00 31.41 H new ATOM 0 HA HIS A 12 17.065 -17.510 9.124 1.00 42.43 H new ATOM 0 HB2 HIS A 12 15.809 -15.161 10.614 1.00 4.13 H new ATOM 0 HB3 HIS A 12 15.004 -16.667 10.219 1.00 4.13 H new ATOM 0 HD2 HIS A 12 15.526 -18.780 11.957 1.00 14.34 H new ATOM 0 HE1 HIS A 12 18.245 -16.714 14.463 1.00 62.12 H new ATOM 0 HE2 HIS A 12 16.905 -18.848 14.165 1.00 52.20 H new ATOM 197 N LYS A 13 16.256 -16.612 6.968 1.00 33.41 N ATOM 198 CA LYS A 13 15.669 -16.136 5.710 1.00 1.51 C ATOM 199 C LYS A 13 14.193 -16.552 5.599 1.00 21.14 C ATOM 200 O LYS A 13 13.859 -17.736 5.636 1.00 10.22 O ATOM 201 CB LYS A 13 16.479 -16.652 4.510 1.00 21.01 C ATOM 202 CG LYS A 13 17.925 -16.154 4.499 1.00 21.33 C ATOM 203 CD LYS A 13 18.662 -16.522 3.210 1.00 70.42 C ATOM 204 CE LYS A 13 17.975 -15.941 1.978 1.00 5.01 C ATOM 205 NZ LYS A 13 18.833 -16.031 0.767 1.00 55.22 N ATOM 0 H LYS A 13 16.556 -17.587 6.952 1.00 33.41 H new ATOM 0 HA LYS A 13 15.708 -15.047 5.705 1.00 1.51 H new ATOM 0 HB2 LYS A 13 16.477 -17.742 4.521 1.00 21.01 H new ATOM 0 HB3 LYS A 13 15.988 -16.341 3.588 1.00 21.01 H new ATOM 0 HG2 LYS A 13 17.934 -15.071 4.622 1.00 21.33 H new ATOM 0 HG3 LYS A 13 18.458 -16.576 5.351 1.00 21.33 H new ATOM 0 HD2 LYS A 13 19.687 -16.156 3.261 1.00 70.42 H new ATOM 0 HD3 LYS A 13 18.715 -17.607 3.119 1.00 70.42 H new ATOM 0 HE2 LYS A 13 17.040 -16.472 1.800 1.00 5.01 H new ATOM 0 HE3 LYS A 13 17.719 -14.898 2.164 1.00 5.01 H new ATOM 0 HZ1 LYS A 13 18.249 -16.291 -0.053 1.00 55.22 H new ATOM 0 HZ2 LYS A 13 19.285 -15.111 0.593 1.00 55.22 H new ATOM 0 HZ3 LYS A 13 19.566 -16.754 0.914 1.00 55.22 H new ATOM 219 N ARG A 14 13.318 -15.559 5.466 1.00 72.13 N ATOM 220 CA ARG A 14 11.867 -15.772 5.460 1.00 4.01 C ATOM 221 C ARG A 14 11.210 -15.059 4.267 1.00 21.55 C ATOM 222 O ARG A 14 11.231 -13.828 4.180 1.00 24.23 O ATOM 223 CB ARG A 14 11.280 -15.243 6.781 1.00 0.10 C ATOM 224 CG ARG A 14 9.761 -15.363 6.924 1.00 3.44 C ATOM 225 CD ARG A 14 9.292 -16.816 7.004 1.00 25.14 C ATOM 226 NE ARG A 14 8.017 -16.939 7.711 1.00 31.22 N ATOM 227 CZ ARG A 14 7.155 -17.901 7.528 1.00 63.23 C ATOM 228 NH1 ARG A 14 7.303 -18.745 6.553 1.00 74.34 N ATOM 229 NH2 ARG A 14 6.123 -17.983 8.302 1.00 52.02 N ATOM 0 H ARG A 14 13.591 -14.582 5.359 1.00 72.13 H new ATOM 0 HA ARG A 14 11.665 -16.839 5.363 1.00 4.01 H new ATOM 0 HB2 ARG A 14 11.748 -15.779 7.606 1.00 0.10 H new ATOM 0 HB3 ARG A 14 11.555 -14.194 6.886 1.00 0.10 H new ATOM 0 HG2 ARG A 14 9.441 -14.832 7.820 1.00 3.44 H new ATOM 0 HG3 ARG A 14 9.280 -14.876 6.076 1.00 3.44 H new ATOM 0 HD2 ARG A 14 9.189 -17.220 5.997 1.00 25.14 H new ATOM 0 HD3 ARG A 14 10.048 -17.414 7.512 1.00 25.14 H new ATOM 0 HE ARG A 14 7.785 -16.220 8.397 1.00 31.22 H new ATOM 0 HH11 ARG A 14 8.099 -18.660 5.921 1.00 74.34 H new ATOM 0 HH12 ARG A 14 6.623 -19.494 6.419 1.00 74.34 H new ATOM 0 HH21 ARG A 14 5.989 -17.299 9.047 1.00 52.02 H new ATOM 0 HH22 ARG A 14 5.443 -18.731 8.168 1.00 52.02 H new ATOM 243 N ALA A 15 10.640 -15.834 3.346 1.00 22.15 N ATOM 244 CA ALA A 15 9.923 -15.270 2.200 1.00 31.22 C ATOM 245 C ALA A 15 8.661 -14.524 2.664 1.00 64.33 C ATOM 246 O ALA A 15 7.945 -15.008 3.545 1.00 1.41 O ATOM 247 CB ALA A 15 9.561 -16.373 1.208 1.00 2.21 C ATOM 0 H ALA A 15 10.660 -16.854 3.369 1.00 22.15 H new ATOM 0 HA ALA A 15 10.576 -14.555 1.700 1.00 31.22 H new ATOM 0 HB1 ALA A 15 9.028 -15.940 0.361 1.00 2.21 H new ATOM 0 HB2 ALA A 15 10.471 -16.858 0.855 1.00 2.21 H new ATOM 0 HB3 ALA A 15 8.925 -17.109 1.699 1.00 2.21 H new ATOM 253 N PRO A 16 8.359 -13.349 2.070 1.00 64.54 N ATOM 254 CA PRO A 16 7.257 -12.487 2.538 1.00 53.12 C ATOM 255 C PRO A 16 5.888 -13.193 2.531 1.00 41.44 C ATOM 256 O PRO A 16 5.440 -13.723 1.512 1.00 10.13 O ATOM 257 CB PRO A 16 7.283 -11.300 1.555 1.00 1.42 C ATOM 258 CG PRO A 16 8.034 -11.798 0.364 1.00 52.21 C ATOM 259 CD PRO A 16 9.042 -12.778 0.896 1.00 45.00 C ATOM 0 HA PRO A 16 7.392 -12.191 3.578 1.00 53.12 H new ATOM 0 HB2 PRO A 16 6.274 -10.991 1.284 1.00 1.42 H new ATOM 0 HB3 PRO A 16 7.774 -10.433 1.997 1.00 1.42 H new ATOM 0 HG2 PRO A 16 7.363 -12.276 -0.350 1.00 52.21 H new ATOM 0 HG3 PRO A 16 8.525 -10.978 -0.160 1.00 52.21 H new ATOM 0 HD2 PRO A 16 9.288 -13.543 0.160 1.00 45.00 H new ATOM 0 HD3 PRO A 16 9.976 -12.288 1.171 1.00 45.00 H new ATOM 267 N MET A 17 5.226 -13.177 3.687 1.00 51.50 N ATOM 268 CA MET A 17 3.919 -13.817 3.856 1.00 50.54 C ATOM 269 C MET A 17 2.846 -12.807 4.294 1.00 35.52 C ATOM 270 O MET A 17 2.979 -12.165 5.336 1.00 30.14 O ATOM 271 CB MET A 17 4.032 -14.947 4.896 1.00 4.54 C ATOM 272 CG MET A 17 2.691 -15.524 5.329 1.00 63.23 C ATOM 273 SD MET A 17 1.736 -16.166 3.944 1.00 73.31 S ATOM 274 CE MET A 17 0.195 -16.572 4.765 1.00 75.04 C ATOM 0 H MET A 17 5.577 -12.723 4.530 1.00 51.50 H new ATOM 0 HA MET A 17 3.614 -14.227 2.893 1.00 50.54 H new ATOM 0 HB2 MET A 17 4.645 -15.748 4.482 1.00 4.54 H new ATOM 0 HB3 MET A 17 4.554 -14.568 5.775 1.00 4.54 H new ATOM 0 HG2 MET A 17 2.859 -16.323 6.051 1.00 63.23 H new ATOM 0 HG3 MET A 17 2.114 -14.751 5.837 1.00 63.23 H new ATOM 0 HE1 MET A 17 -0.576 -16.762 4.018 1.00 75.04 H new ATOM 0 HE2 MET A 17 0.333 -17.462 5.379 1.00 75.04 H new ATOM 0 HE3 MET A 17 -0.111 -15.739 5.398 1.00 75.04 H new ATOM 284 N PHE A 18 1.785 -12.673 3.503 1.00 30.12 N ATOM 285 CA PHE A 18 0.652 -11.816 3.876 1.00 13.11 C ATOM 286 C PHE A 18 -0.189 -12.458 4.990 1.00 15.12 C ATOM 287 O PHE A 18 -0.940 -13.405 4.752 1.00 65.30 O ATOM 288 CB PHE A 18 -0.245 -11.529 2.659 1.00 64.13 C ATOM 289 CG PHE A 18 0.283 -10.463 1.731 1.00 21.21 C ATOM 290 CD1 PHE A 18 0.023 -9.122 1.982 1.00 65.23 C ATOM 291 CD2 PHE A 18 1.025 -10.795 0.608 1.00 12.22 C ATOM 292 CE1 PHE A 18 0.490 -8.138 1.133 1.00 11.34 C ATOM 293 CE2 PHE A 18 1.495 -9.813 -0.243 1.00 35.11 C ATOM 294 CZ PHE A 18 1.227 -8.484 0.020 1.00 31.45 C ATOM 0 H PHE A 18 1.681 -13.142 2.603 1.00 30.12 H new ATOM 0 HA PHE A 18 1.066 -10.877 4.244 1.00 13.11 H new ATOM 0 HB2 PHE A 18 -0.376 -12.452 2.094 1.00 64.13 H new ATOM 0 HB3 PHE A 18 -1.231 -11.229 3.013 1.00 64.13 H new ATOM 0 HD1 PHE A 18 -0.552 -8.845 2.853 1.00 65.23 H new ATOM 0 HD2 PHE A 18 1.238 -11.832 0.396 1.00 12.22 H new ATOM 0 HE1 PHE A 18 0.278 -7.099 1.340 1.00 11.34 H new ATOM 0 HE2 PHE A 18 2.072 -10.085 -1.114 1.00 35.11 H new ATOM 0 HZ PHE A 18 1.594 -7.717 -0.645 1.00 31.45 H new ATOM 304 N ILE A 19 -0.054 -11.939 6.208 1.00 34.24 N ATOM 305 CA ILE A 19 -0.876 -12.395 7.334 1.00 20.12 C ATOM 306 C ILE A 19 -2.290 -11.801 7.224 1.00 71.11 C ATOM 307 O ILE A 19 -3.283 -12.435 7.583 1.00 14.21 O ATOM 308 CB ILE A 19 -0.254 -11.993 8.696 1.00 74.31 C ATOM 309 CG1 ILE A 19 1.235 -12.378 8.749 1.00 2.34 C ATOM 310 CG2 ILE A 19 -1.020 -12.652 9.844 1.00 44.40 C ATOM 311 CD1 ILE A 19 1.931 -11.953 10.026 1.00 2.31 C ATOM 0 H ILE A 19 0.614 -11.205 6.444 1.00 34.24 H new ATOM 0 HA ILE A 19 -0.924 -13.483 7.289 1.00 20.12 H new ATOM 0 HB ILE A 19 -0.329 -10.911 8.804 1.00 74.31 H new ATOM 0 HG12 ILE A 19 1.325 -13.459 8.639 1.00 2.34 H new ATOM 0 HG13 ILE A 19 1.748 -11.927 7.899 1.00 2.34 H new ATOM 0 HG21 ILE A 19 -0.572 -12.361 10.794 1.00 44.40 H new ATOM 0 HG22 ILE A 19 -2.061 -12.330 9.819 1.00 44.40 H new ATOM 0 HG23 ILE A 19 -0.973 -13.736 9.738 1.00 44.40 H new ATOM 0 HD11 ILE A 19 2.977 -12.259 9.990 1.00 2.31 H new ATOM 0 HD12 ILE A 19 1.873 -10.869 10.129 1.00 2.31 H new ATOM 0 HD13 ILE A 19 1.444 -12.425 10.880 1.00 2.31 H new ATOM 323 N TYR A 20 -2.351 -10.568 6.729 1.00 1.23 N ATOM 324 CA TYR A 20 -3.615 -9.885 6.430 1.00 13.43 C ATOM 325 C TYR A 20 -3.487 -9.120 5.108 1.00 61.42 C ATOM 326 O TYR A 20 -2.438 -8.540 4.825 1.00 64.22 O ATOM 327 CB TYR A 20 -3.989 -8.886 7.540 1.00 74.44 C ATOM 328 CG TYR A 20 -4.114 -9.488 8.930 1.00 64.02 C ATOM 329 CD1 TYR A 20 -5.274 -10.143 9.331 1.00 52.23 C ATOM 330 CD2 TYR A 20 -3.075 -9.382 9.847 1.00 14.22 C ATOM 331 CE1 TYR A 20 -5.391 -10.672 10.603 1.00 63.02 C ATOM 332 CE2 TYR A 20 -3.185 -9.912 11.117 1.00 14.34 C ATOM 333 CZ TYR A 20 -4.342 -10.554 11.490 1.00 13.33 C ATOM 334 OH TYR A 20 -4.456 -11.077 12.758 1.00 5.24 O ATOM 0 H TYR A 20 -1.524 -10.008 6.522 1.00 1.23 H new ATOM 0 HA TYR A 20 -4.395 -10.643 6.361 1.00 13.43 H new ATOM 0 HB2 TYR A 20 -3.236 -8.098 7.568 1.00 74.44 H new ATOM 0 HB3 TYR A 20 -4.936 -8.413 7.279 1.00 74.44 H new ATOM 0 HD1 TYR A 20 -6.096 -10.240 8.638 1.00 52.23 H new ATOM 0 HD2 TYR A 20 -2.165 -8.876 9.561 1.00 14.22 H new ATOM 0 HE1 TYR A 20 -6.299 -11.175 10.900 1.00 63.02 H new ATOM 0 HE2 TYR A 20 -2.365 -9.823 11.815 1.00 14.34 H new ATOM 0 HH TYR A 20 -3.629 -10.910 13.256 1.00 5.24 H new ATOM 344 N LYS A 21 -4.538 -9.119 4.295 1.00 53.42 N ATOM 345 CA LYS A 21 -4.540 -8.314 3.068 1.00 55.03 C ATOM 346 C LYS A 21 -5.301 -6.993 3.286 1.00 43.40 C ATOM 347 O LYS A 21 -6.372 -6.985 3.896 1.00 2.25 O ATOM 348 CB LYS A 21 -5.151 -9.094 1.893 1.00 34.30 C ATOM 349 CG LYS A 21 -6.595 -9.536 2.114 1.00 3.00 C ATOM 350 CD LYS A 21 -7.223 -10.091 0.837 1.00 50.21 C ATOM 351 CE LYS A 21 -7.303 -9.037 -0.266 1.00 44.33 C ATOM 352 NZ LYS A 21 -8.142 -7.873 0.130 1.00 64.05 N ATOM 0 H LYS A 21 -5.390 -9.656 4.455 1.00 53.42 H new ATOM 0 HA LYS A 21 -3.504 -8.083 2.820 1.00 55.03 H new ATOM 0 HB2 LYS A 21 -5.107 -8.473 0.998 1.00 34.30 H new ATOM 0 HB3 LYS A 21 -4.539 -9.975 1.700 1.00 34.30 H new ATOM 0 HG2 LYS A 21 -6.626 -10.297 2.894 1.00 3.00 H new ATOM 0 HG3 LYS A 21 -7.183 -8.690 2.470 1.00 3.00 H new ATOM 0 HD2 LYS A 21 -6.638 -10.941 0.485 1.00 50.21 H new ATOM 0 HD3 LYS A 21 -8.224 -10.462 1.057 1.00 50.21 H new ATOM 0 HE2 LYS A 21 -6.298 -8.692 -0.511 1.00 44.33 H new ATOM 0 HE3 LYS A 21 -7.714 -9.489 -1.169 1.00 44.33 H new ATOM 0 HZ1 LYS A 21 -8.717 -7.568 -0.681 1.00 64.05 H new ATOM 0 HZ2 LYS A 21 -8.768 -8.147 0.914 1.00 64.05 H new ATOM 0 HZ3 LYS A 21 -7.528 -7.090 0.434 1.00 64.05 H new ATOM 366 N PRO A 22 -4.764 -5.860 2.791 1.00 23.33 N ATOM 367 CA PRO A 22 -5.392 -4.536 2.979 1.00 40.11 C ATOM 368 C PRO A 22 -6.823 -4.463 2.410 1.00 54.42 C ATOM 369 O PRO A 22 -7.097 -4.958 1.313 1.00 11.31 O ATOM 370 CB PRO A 22 -4.447 -3.576 2.231 1.00 61.52 C ATOM 371 CG PRO A 22 -3.649 -4.448 1.316 1.00 71.42 C ATOM 372 CD PRO A 22 -3.514 -5.771 2.016 1.00 63.11 C ATOM 0 HA PRO A 22 -5.511 -4.293 4.035 1.00 40.11 H new ATOM 0 HB2 PRO A 22 -5.008 -2.827 1.672 1.00 61.52 H new ATOM 0 HB3 PRO A 22 -3.801 -3.038 2.925 1.00 61.52 H new ATOM 0 HG2 PRO A 22 -4.149 -4.565 0.354 1.00 71.42 H new ATOM 0 HG3 PRO A 22 -2.671 -4.011 1.116 1.00 71.42 H new ATOM 0 HD2 PRO A 22 -3.417 -6.595 1.309 1.00 63.11 H new ATOM 0 HD3 PRO A 22 -2.636 -5.800 2.661 1.00 63.11 H new ATOM 380 N GLN A 23 -7.735 -3.857 3.173 1.00 5.32 N ATOM 381 CA GLN A 23 -9.146 -3.756 2.770 1.00 74.31 C ATOM 382 C GLN A 23 -9.458 -2.419 2.075 1.00 60.31 C ATOM 383 O GLN A 23 -8.883 -1.380 2.401 1.00 12.11 O ATOM 384 CB GLN A 23 -10.075 -3.994 3.981 1.00 34.45 C ATOM 385 CG GLN A 23 -9.678 -3.263 5.270 1.00 34.41 C ATOM 386 CD GLN A 23 -9.984 -1.773 5.256 1.00 13.51 C ATOM 387 OE1 GLN A 23 -10.921 -1.322 4.609 1.00 42.34 O ATOM 388 NE2 GLN A 23 -9.210 -1.001 5.993 1.00 14.22 N ATOM 0 H GLN A 23 -7.525 -3.428 4.074 1.00 5.32 H new ATOM 0 HA GLN A 23 -9.334 -4.539 2.035 1.00 74.31 H new ATOM 0 HB2 GLN A 23 -11.085 -3.690 3.707 1.00 34.45 H new ATOM 0 HB3 GLN A 23 -10.109 -5.064 4.186 1.00 34.45 H new ATOM 0 HG2 GLN A 23 -10.198 -3.722 6.111 1.00 34.41 H new ATOM 0 HG3 GLN A 23 -8.611 -3.403 5.441 1.00 34.41 H new ATOM 0 HE21 GLN A 23 -8.437 -1.408 6.520 1.00 14.22 H new ATOM 0 HE22 GLN A 23 -9.384 0.003 6.036 1.00 14.22 H new ATOM 397 N SER A 24 -10.364 -2.468 1.101 1.00 13.31 N ATOM 398 CA SER A 24 -10.732 -1.290 0.302 1.00 72.31 C ATOM 399 C SER A 24 -11.552 -0.268 1.107 1.00 41.21 C ATOM 400 O SER A 24 -12.320 -0.628 1.999 1.00 72.03 O ATOM 401 CB SER A 24 -11.523 -1.721 -0.942 1.00 60.42 C ATOM 402 OG SER A 24 -12.674 -2.479 -0.591 1.00 13.55 O ATOM 0 H SER A 24 -10.864 -3.318 0.840 1.00 13.31 H new ATOM 0 HA SER A 24 -9.803 -0.804 0.003 1.00 72.31 H new ATOM 0 HB2 SER A 24 -11.825 -0.839 -1.506 1.00 60.42 H new ATOM 0 HB3 SER A 24 -10.882 -2.313 -1.595 1.00 60.42 H new ATOM 0 HG SER A 24 -13.157 -2.737 -1.404 1.00 13.55 H new ATOM 408 N LYS A 25 -11.381 1.012 0.774 1.00 51.45 N ATOM 409 CA LYS A 25 -12.088 2.115 1.448 1.00 12.51 C ATOM 410 C LYS A 25 -12.559 3.170 0.432 1.00 52.25 C ATOM 411 O LYS A 25 -11.990 3.288 -0.655 1.00 23.31 O ATOM 412 CB LYS A 25 -11.157 2.783 2.480 1.00 12.22 C ATOM 413 CG LYS A 25 -10.775 1.907 3.681 1.00 34.15 C ATOM 414 CD LYS A 25 -11.747 2.055 4.856 1.00 22.40 C ATOM 415 CE LYS A 25 -13.119 1.454 4.569 1.00 2.32 C ATOM 416 NZ LYS A 25 -13.068 -0.029 4.470 1.00 31.53 N ATOM 0 H LYS A 25 -10.751 1.319 0.032 1.00 51.45 H new ATOM 0 HA LYS A 25 -12.961 1.699 1.952 1.00 12.51 H new ATOM 0 HB2 LYS A 25 -10.244 3.094 1.973 1.00 12.22 H new ATOM 0 HB3 LYS A 25 -11.641 3.687 2.850 1.00 12.22 H new ATOM 0 HG2 LYS A 25 -10.746 0.863 3.369 1.00 34.15 H new ATOM 0 HG3 LYS A 25 -9.770 2.169 4.011 1.00 34.15 H new ATOM 0 HD2 LYS A 25 -11.321 1.573 5.736 1.00 22.40 H new ATOM 0 HD3 LYS A 25 -11.862 3.112 5.096 1.00 22.40 H new ATOM 0 HE2 LYS A 25 -13.813 1.741 5.359 1.00 2.32 H new ATOM 0 HE3 LYS A 25 -13.508 1.866 3.638 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 -13.259 -0.318 3.489 1.00 31.53 H new ATOM 0 HZ2 LYS A 25 -12.124 -0.364 4.752 1.00 31.53 H new ATOM 0 HZ3 LYS A 25 -13.785 -0.444 5.099 1.00 31.53 H new ATOM 430 N LYS A 26 -13.597 3.937 0.785 1.00 43.02 N ATOM 431 CA LYS A 26 -14.054 5.050 -0.060 1.00 31.23 C ATOM 432 C LYS A 26 -14.238 6.342 0.757 1.00 75.35 C ATOM 433 O LYS A 26 -14.828 6.337 1.839 1.00 12.53 O ATOM 434 CB LYS A 26 -15.353 4.686 -0.800 1.00 12.25 C ATOM 435 CG LYS A 26 -16.565 4.445 0.096 1.00 73.13 C ATOM 436 CD LYS A 26 -17.786 4.033 -0.729 1.00 61.32 C ATOM 437 CE LYS A 26 -19.025 3.837 0.133 1.00 3.31 C ATOM 438 NZ LYS A 26 -19.447 5.098 0.794 1.00 24.14 N ATOM 0 H LYS A 26 -14.134 3.810 1.643 1.00 43.02 H new ATOM 0 HA LYS A 26 -13.278 5.234 -0.803 1.00 31.23 H new ATOM 0 HB2 LYS A 26 -15.591 5.488 -1.499 1.00 12.25 H new ATOM 0 HB3 LYS A 26 -15.175 3.789 -1.393 1.00 12.25 H new ATOM 0 HG2 LYS A 26 -16.334 3.667 0.824 1.00 73.13 H new ATOM 0 HG3 LYS A 26 -16.791 5.351 0.659 1.00 73.13 H new ATOM 0 HD2 LYS A 26 -17.987 4.795 -1.482 1.00 61.32 H new ATOM 0 HD3 LYS A 26 -17.567 3.108 -1.262 1.00 61.32 H new ATOM 0 HE2 LYS A 26 -19.841 3.461 -0.484 1.00 3.31 H new ATOM 0 HE3 LYS A 26 -18.823 3.080 0.891 1.00 3.31 H new ATOM 0 HZ1 LYS A 26 -20.389 4.970 1.217 1.00 24.14 H new ATOM 0 HZ2 LYS A 26 -18.764 5.345 1.538 1.00 24.14 H new ATOM 0 HZ3 LYS A 26 -19.484 5.863 0.091 1.00 24.14 H new ATOM 452 N VAL A 27 -13.721 7.447 0.227 1.00 24.25 N ATOM 453 CA VAL A 27 -13.791 8.758 0.900 1.00 13.42 C ATOM 454 C VAL A 27 -14.186 9.873 -0.083 1.00 44.33 C ATOM 455 O VAL A 27 -14.383 9.621 -1.269 1.00 53.13 O ATOM 456 CB VAL A 27 -12.439 9.124 1.571 1.00 11.41 C ATOM 457 CG1 VAL A 27 -12.124 8.181 2.732 1.00 35.44 C ATOM 458 CG2 VAL A 27 -11.309 9.115 0.544 1.00 3.42 C ATOM 0 H VAL A 27 -13.243 7.469 -0.674 1.00 24.25 H new ATOM 0 HA VAL A 27 -14.558 8.674 1.670 1.00 13.42 H new ATOM 0 HB VAL A 27 -12.528 10.132 1.976 1.00 11.41 H new ATOM 0 HG11 VAL A 27 -11.172 8.463 3.181 1.00 35.44 H new ATOM 0 HG12 VAL A 27 -12.913 8.250 3.481 1.00 35.44 H new ATOM 0 HG13 VAL A 27 -12.062 7.157 2.363 1.00 35.44 H new ATOM 0 HG21 VAL A 27 -10.370 9.374 1.034 1.00 3.42 H new ATOM 0 HG22 VAL A 27 -11.226 8.122 0.103 1.00 3.42 H new ATOM 0 HG23 VAL A 27 -11.523 9.843 -0.239 1.00 3.42 H new ATOM 468 N LEU A 28 -14.310 11.103 0.417 1.00 40.52 N ATOM 469 CA LEU A 28 -14.676 12.251 -0.428 1.00 14.04 C ATOM 470 C LEU A 28 -13.425 12.948 -0.994 1.00 4.21 C ATOM 471 O LEU A 28 -12.303 12.705 -0.540 1.00 55.33 O ATOM 472 CB LEU A 28 -15.517 13.262 0.371 1.00 33.23 C ATOM 473 CG LEU A 28 -16.856 12.737 0.911 1.00 71.14 C ATOM 474 CD1 LEU A 28 -17.540 13.797 1.773 1.00 61.40 C ATOM 475 CD2 LEU A 28 -17.768 12.305 -0.235 1.00 35.42 C ATOM 0 H LEU A 28 -14.164 11.334 1.400 1.00 40.52 H new ATOM 0 HA LEU A 28 -15.267 11.872 -1.262 1.00 14.04 H new ATOM 0 HB2 LEU A 28 -14.922 13.617 1.212 1.00 33.23 H new ATOM 0 HB3 LEU A 28 -15.716 14.124 -0.265 1.00 33.23 H new ATOM 0 HG LEU A 28 -16.655 11.865 1.534 1.00 71.14 H new ATOM 0 HD11 LEU A 28 -18.487 13.407 2.146 1.00 61.40 H new ATOM 0 HD12 LEU A 28 -16.896 14.053 2.614 1.00 61.40 H new ATOM 0 HD13 LEU A 28 -17.726 14.689 1.174 1.00 61.40 H new ATOM 0 HD21 LEU A 28 -18.711 11.937 0.169 1.00 35.42 H new ATOM 0 HD22 LEU A 28 -17.961 13.157 -0.887 1.00 35.42 H new ATOM 0 HD23 LEU A 28 -17.284 11.513 -0.806 1.00 35.42 H new ATOM 487 N GLU A 29 -13.624 13.821 -1.984 1.00 15.31 N ATOM 488 CA GLU A 29 -12.502 14.523 -2.622 1.00 42.35 C ATOM 489 C GLU A 29 -11.872 15.551 -1.673 1.00 43.42 C ATOM 490 O GLU A 29 -12.496 16.556 -1.317 1.00 52.12 O ATOM 491 CB GLU A 29 -12.940 15.208 -3.927 1.00 23.14 C ATOM 492 CG GLU A 29 -13.368 14.236 -5.025 1.00 64.54 C ATOM 493 CD GLU A 29 -13.465 14.899 -6.391 1.00 0.53 C ATOM 494 OE1 GLU A 29 -14.491 15.547 -6.676 1.00 54.11 O ATOM 495 OE2 GLU A 29 -12.508 14.774 -7.187 1.00 64.54 O ATOM 0 H GLU A 29 -14.542 14.059 -2.360 1.00 15.31 H new ATOM 0 HA GLU A 29 -11.750 13.771 -2.862 1.00 42.35 H new ATOM 0 HB2 GLU A 29 -13.768 15.883 -3.711 1.00 23.14 H new ATOM 0 HB3 GLU A 29 -12.118 15.820 -4.298 1.00 23.14 H new ATOM 0 HG2 GLU A 29 -12.655 13.413 -5.075 1.00 64.54 H new ATOM 0 HG3 GLU A 29 -14.335 13.804 -4.766 1.00 64.54 H new ATOM 502 N GLY A 30 -10.631 15.287 -1.270 1.00 63.43 N ATOM 503 CA GLY A 30 -9.927 16.161 -0.336 1.00 22.11 C ATOM 504 C GLY A 30 -9.607 15.474 0.990 1.00 71.10 C ATOM 505 O GLY A 30 -8.781 15.960 1.770 1.00 43.02 O ATOM 0 H GLY A 30 -10.093 14.476 -1.575 1.00 63.43 H new ATOM 0 HA2 GLY A 30 -9.000 16.504 -0.795 1.00 22.11 H new ATOM 0 HA3 GLY A 30 -10.535 17.045 -0.145 1.00 22.11 H new ATOM 509 N ASP A 31 -10.259 14.340 1.242 1.00 61.42 N ATOM 510 CA ASP A 31 -10.069 13.587 2.487 1.00 71.53 C ATOM 511 C ASP A 31 -8.825 12.682 2.453 1.00 35.34 C ATOM 512 O ASP A 31 -8.070 12.658 1.477 1.00 51.30 O ATOM 513 CB ASP A 31 -11.322 12.754 2.781 1.00 61.42 C ATOM 514 CG ASP A 31 -12.510 13.626 3.131 1.00 31.14 C ATOM 515 OD1 ASP A 31 -13.150 14.167 2.212 1.00 24.42 O ATOM 516 OD2 ASP A 31 -12.801 13.786 4.337 1.00 31.54 O ATOM 0 H ASP A 31 -10.928 13.918 0.598 1.00 61.42 H new ATOM 0 HA ASP A 31 -9.907 14.313 3.284 1.00 71.53 H new ATOM 0 HB2 ASP A 31 -11.564 12.143 1.912 1.00 61.42 H new ATOM 0 HB3 ASP A 31 -11.118 12.070 3.605 1.00 61.42 H new ATOM 521 N SER A 32 -8.613 11.945 3.544 1.00 33.21 N ATOM 522 CA SER A 32 -7.452 11.054 3.679 1.00 33.42 C ATOM 523 C SER A 32 -7.864 9.619 4.047 1.00 1.32 C ATOM 524 O SER A 32 -8.933 9.388 4.622 1.00 22.22 O ATOM 525 CB SER A 32 -6.493 11.596 4.746 1.00 3.40 C ATOM 526 OG SER A 32 -7.129 11.697 6.010 1.00 15.33 O ATOM 0 H SER A 32 -9.233 11.946 4.354 1.00 33.21 H new ATOM 0 HA SER A 32 -6.955 11.024 2.710 1.00 33.42 H new ATOM 0 HB2 SER A 32 -5.626 10.940 4.825 1.00 3.40 H new ATOM 0 HB3 SER A 32 -6.125 12.576 4.443 1.00 3.40 H new ATOM 0 HG SER A 32 -6.493 12.044 6.670 1.00 15.33 H new ATOM 532 N VAL A 33 -7.001 8.658 3.717 1.00 53.13 N ATOM 533 CA VAL A 33 -7.256 7.241 4.009 1.00 44.12 C ATOM 534 C VAL A 33 -5.969 6.512 4.450 1.00 45.05 C ATOM 535 O VAL A 33 -4.865 6.847 4.008 1.00 30.41 O ATOM 536 CB VAL A 33 -7.858 6.517 2.773 1.00 55.40 C ATOM 537 CG1 VAL A 33 -6.877 6.523 1.600 1.00 42.12 C ATOM 538 CG2 VAL A 33 -8.283 5.090 3.128 1.00 11.30 C ATOM 0 H VAL A 33 -6.114 8.833 3.245 1.00 53.13 H new ATOM 0 HA VAL A 33 -7.974 7.211 4.829 1.00 44.12 H new ATOM 0 HB VAL A 33 -8.748 7.065 2.465 1.00 55.40 H new ATOM 0 HG11 VAL A 33 -7.324 6.010 0.749 1.00 42.12 H new ATOM 0 HG12 VAL A 33 -6.647 7.552 1.323 1.00 42.12 H new ATOM 0 HG13 VAL A 33 -5.959 6.012 1.891 1.00 42.12 H new ATOM 0 HG21 VAL A 33 -8.701 4.605 2.246 1.00 11.30 H new ATOM 0 HG22 VAL A 33 -7.416 4.528 3.475 1.00 11.30 H new ATOM 0 HG23 VAL A 33 -9.035 5.120 3.916 1.00 11.30 H new ATOM 548 N LYS A 34 -6.117 5.531 5.343 1.00 22.24 N ATOM 549 CA LYS A 34 -4.990 4.696 5.789 1.00 23.11 C ATOM 550 C LYS A 34 -5.198 3.221 5.393 1.00 14.02 C ATOM 551 O LYS A 34 -6.167 2.584 5.807 1.00 15.40 O ATOM 552 CB LYS A 34 -4.807 4.817 7.315 1.00 62.44 C ATOM 553 CG LYS A 34 -6.076 4.528 8.118 1.00 73.11 C ATOM 554 CD LYS A 34 -5.881 4.690 9.631 1.00 33.42 C ATOM 555 CE LYS A 34 -5.038 3.570 10.244 1.00 64.23 C ATOM 556 NZ LYS A 34 -3.581 3.740 9.992 1.00 44.04 N ATOM 0 H LYS A 34 -7.009 5.292 5.776 1.00 22.24 H new ATOM 0 HA LYS A 34 -4.088 5.055 5.293 1.00 23.11 H new ATOM 0 HB2 LYS A 34 -4.024 4.129 7.632 1.00 62.44 H new ATOM 0 HB3 LYS A 34 -4.462 5.824 7.551 1.00 62.44 H new ATOM 0 HG2 LYS A 34 -6.869 5.198 7.786 1.00 73.11 H new ATOM 0 HG3 LYS A 34 -6.408 3.512 7.907 1.00 73.11 H new ATOM 0 HD2 LYS A 34 -5.403 5.649 9.830 1.00 33.42 H new ATOM 0 HD3 LYS A 34 -6.856 4.713 10.118 1.00 33.42 H new ATOM 0 HE2 LYS A 34 -5.214 3.536 11.319 1.00 64.23 H new ATOM 0 HE3 LYS A 34 -5.363 2.613 9.837 1.00 64.23 H new ATOM 0 HZ1 LYS A 34 -3.188 2.853 9.617 1.00 44.04 H new ATOM 0 HZ2 LYS A 34 -3.435 4.503 9.301 1.00 44.04 H new ATOM 0 HZ3 LYS A 34 -3.101 3.982 10.882 1.00 44.04 H new ATOM 570 N LEU A 35 -4.290 2.691 4.578 1.00 22.33 N ATOM 571 CA LEU A 35 -4.334 1.280 4.165 1.00 53.21 C ATOM 572 C LEU A 35 -3.135 0.512 4.745 1.00 24.25 C ATOM 573 O LEU A 35 -1.993 0.779 4.382 1.00 42.10 O ATOM 574 CB LEU A 35 -4.328 1.176 2.631 1.00 34.02 C ATOM 575 CG LEU A 35 -5.485 1.896 1.913 1.00 4.34 C ATOM 576 CD1 LEU A 35 -5.328 1.800 0.397 1.00 43.34 C ATOM 577 CD2 LEU A 35 -6.835 1.330 2.357 1.00 11.24 C ATOM 0 H LEU A 35 -3.508 3.216 4.185 1.00 22.33 H new ATOM 0 HA LEU A 35 -5.253 0.837 4.549 1.00 53.21 H new ATOM 0 HB2 LEU A 35 -3.386 1.580 2.261 1.00 34.02 H new ATOM 0 HB3 LEU A 35 -4.353 0.122 2.356 1.00 34.02 H new ATOM 0 HG LEU A 35 -5.452 2.950 2.190 1.00 4.34 H new ATOM 0 HD11 LEU A 35 -6.157 2.316 -0.088 1.00 43.34 H new ATOM 0 HD12 LEU A 35 -4.388 2.263 0.099 1.00 43.34 H new ATOM 0 HD13 LEU A 35 -5.327 0.752 0.097 1.00 43.34 H new ATOM 0 HD21 LEU A 35 -7.638 1.853 1.837 1.00 11.24 H new ATOM 0 HD22 LEU A 35 -6.880 0.267 2.118 1.00 11.24 H new ATOM 0 HD23 LEU A 35 -6.950 1.465 3.432 1.00 11.24 H new ATOM 589 N GLU A 36 -3.390 -0.439 5.643 1.00 21.12 N ATOM 590 CA GLU A 36 -2.301 -1.173 6.307 1.00 42.34 C ATOM 591 C GLU A 36 -2.562 -2.686 6.386 1.00 74.22 C ATOM 592 O GLU A 36 -3.709 -3.141 6.376 1.00 21.52 O ATOM 593 CB GLU A 36 -2.057 -0.608 7.714 1.00 35.32 C ATOM 594 CG GLU A 36 -3.292 -0.589 8.609 1.00 33.20 C ATOM 595 CD GLU A 36 -2.992 -0.056 10.005 1.00 64.12 C ATOM 596 OE1 GLU A 36 -2.860 1.177 10.162 1.00 70.31 O ATOM 597 OE2 GLU A 36 -2.877 -0.868 10.947 1.00 23.54 O ATOM 0 H GLU A 36 -4.328 -0.721 5.928 1.00 21.12 H new ATOM 0 HA GLU A 36 -1.410 -1.034 5.694 1.00 42.34 H new ATOM 0 HB2 GLU A 36 -1.280 -1.199 8.200 1.00 35.32 H new ATOM 0 HB3 GLU A 36 -1.674 0.408 7.623 1.00 35.32 H new ATOM 0 HG2 GLU A 36 -4.063 0.027 8.146 1.00 33.20 H new ATOM 0 HG3 GLU A 36 -3.695 -1.599 8.688 1.00 33.20 H new ATOM 604 N CYS A 37 -1.473 -3.453 6.453 1.00 43.15 N ATOM 605 CA CYS A 37 -1.540 -4.919 6.554 1.00 20.21 C ATOM 606 C CYS A 37 -0.276 -5.489 7.222 1.00 45.35 C ATOM 607 O CYS A 37 0.711 -4.779 7.411 1.00 53.32 O ATOM 608 CB CYS A 37 -1.706 -5.535 5.161 1.00 60.43 C ATOM 609 SG CYS A 37 -0.350 -5.171 4.024 1.00 62.34 S ATOM 0 H CYS A 37 -0.523 -3.082 6.439 1.00 43.15 H new ATOM 0 HA CYS A 37 -2.401 -5.174 7.172 1.00 20.21 H new ATOM 0 HB2 CYS A 37 -1.800 -6.616 5.263 1.00 60.43 H new ATOM 0 HB3 CYS A 37 -2.638 -5.174 4.725 1.00 60.43 H new ATOM 0 HG CYS A 37 -0.518 -5.838 2.921 1.00 62.34 H new ATOM 615 N GLN A 38 -0.308 -6.778 7.569 1.00 11.34 N ATOM 616 CA GLN A 38 0.843 -7.444 8.205 1.00 73.45 C ATOM 617 C GLN A 38 1.525 -8.429 7.241 1.00 71.21 C ATOM 618 O GLN A 38 0.885 -9.350 6.723 1.00 23.44 O ATOM 619 CB GLN A 38 0.397 -8.197 9.470 1.00 5.32 C ATOM 620 CG GLN A 38 -0.168 -7.306 10.574 1.00 43.43 C ATOM 621 CD GLN A 38 0.858 -6.348 11.167 1.00 71.23 C ATOM 622 OE1 GLN A 38 0.520 -5.253 11.601 1.00 53.13 O ATOM 623 NE2 GLN A 38 2.112 -6.754 11.214 1.00 1.03 N ATOM 0 H GLN A 38 -1.115 -7.385 7.423 1.00 11.34 H new ATOM 0 HA GLN A 38 1.560 -6.669 8.475 1.00 73.45 H new ATOM 0 HB2 GLN A 38 -0.358 -8.932 9.192 1.00 5.32 H new ATOM 0 HB3 GLN A 38 1.248 -8.750 9.867 1.00 5.32 H new ATOM 0 HG2 GLN A 38 -1.002 -6.730 10.174 1.00 43.43 H new ATOM 0 HG3 GLN A 38 -0.568 -7.935 11.369 1.00 43.43 H new ATOM 0 HE21 GLN A 38 2.365 -7.671 10.845 1.00 1.03 H new ATOM 0 HE22 GLN A 38 2.828 -6.151 11.619 1.00 1.03 H new ATOM 632 N ILE A 39 2.825 -8.235 7.010 1.00 14.41 N ATOM 633 CA ILE A 39 3.620 -9.140 6.167 1.00 64.43 C ATOM 634 C ILE A 39 4.814 -9.714 6.948 1.00 60.40 C ATOM 635 O ILE A 39 5.581 -8.972 7.563 1.00 71.21 O ATOM 636 CB ILE A 39 4.160 -8.414 4.902 1.00 13.14 C ATOM 637 CG1 ILE A 39 3.007 -7.818 4.078 1.00 63.13 C ATOM 638 CG2 ILE A 39 4.993 -9.369 4.045 1.00 11.23 C ATOM 639 CD1 ILE A 39 3.462 -7.066 2.840 1.00 65.33 C ATOM 0 H ILE A 39 3.356 -7.454 7.397 1.00 14.41 H new ATOM 0 HA ILE A 39 2.956 -9.948 5.862 1.00 64.43 H new ATOM 0 HB ILE A 39 4.802 -7.597 5.231 1.00 13.14 H new ATOM 0 HG12 ILE A 39 2.335 -8.622 3.777 1.00 63.13 H new ATOM 0 HG13 ILE A 39 2.432 -7.142 4.711 1.00 63.13 H new ATOM 0 HG21 ILE A 39 5.361 -8.841 3.165 1.00 11.23 H new ATOM 0 HG22 ILE A 39 5.838 -9.737 4.627 1.00 11.23 H new ATOM 0 HG23 ILE A 39 4.374 -10.210 3.731 1.00 11.23 H new ATOM 0 HD11 ILE A 39 2.592 -6.675 2.312 1.00 65.33 H new ATOM 0 HD12 ILE A 39 4.110 -6.240 3.134 1.00 65.33 H new ATOM 0 HD13 ILE A 39 4.011 -7.742 2.185 1.00 65.33 H new ATOM 651 N SER A 40 4.975 -11.035 6.919 1.00 15.03 N ATOM 652 CA SER A 40 6.135 -11.677 7.552 1.00 21.14 C ATOM 653 C SER A 40 7.262 -11.894 6.534 1.00 21.00 C ATOM 654 O SER A 40 7.210 -12.814 5.719 1.00 3.23 O ATOM 655 CB SER A 40 5.732 -13.026 8.167 1.00 63.23 C ATOM 656 OG SER A 40 6.855 -13.698 8.722 1.00 33.03 O ATOM 0 H SER A 40 4.326 -11.681 6.469 1.00 15.03 H new ATOM 0 HA SER A 40 6.495 -11.016 8.340 1.00 21.14 H new ATOM 0 HB2 SER A 40 4.983 -12.865 8.942 1.00 63.23 H new ATOM 0 HB3 SER A 40 5.271 -13.653 7.403 1.00 63.23 H new ATOM 0 HG SER A 40 6.568 -14.552 9.107 1.00 33.03 H new ATOM 662 N ALA A 41 8.258 -11.011 6.560 1.00 13.22 N ATOM 663 CA ALA A 41 9.447 -11.140 5.708 1.00 31.10 C ATOM 664 C ALA A 41 10.733 -10.894 6.509 1.00 22.34 C ATOM 665 O ALA A 41 10.830 -9.915 7.250 1.00 33.31 O ATOM 666 CB ALA A 41 9.361 -10.178 4.531 1.00 42.02 C ATOM 0 H ALA A 41 8.268 -10.191 7.166 1.00 13.22 H new ATOM 0 HA ALA A 41 9.480 -12.160 5.326 1.00 31.10 H new ATOM 0 HB1 ALA A 41 10.249 -10.285 3.908 1.00 42.02 H new ATOM 0 HB2 ALA A 41 8.474 -10.405 3.940 1.00 42.02 H new ATOM 0 HB3 ALA A 41 9.298 -9.155 4.901 1.00 42.02 H new ATOM 672 N ILE A 42 11.720 -11.773 6.356 1.00 33.52 N ATOM 673 CA ILE A 42 13.018 -11.600 7.026 1.00 75.45 C ATOM 674 C ILE A 42 14.181 -11.849 6.044 1.00 61.44 C ATOM 675 O ILE A 42 14.356 -12.963 5.556 1.00 10.41 O ATOM 676 CB ILE A 42 13.173 -12.548 8.248 1.00 62.55 C ATOM 677 CG1 ILE A 42 11.974 -12.404 9.202 1.00 2.31 C ATOM 678 CG2 ILE A 42 14.478 -12.254 8.987 1.00 4.41 C ATOM 679 CD1 ILE A 42 12.019 -13.342 10.389 1.00 52.54 C ATOM 0 H ILE A 42 11.652 -12.611 5.778 1.00 33.52 H new ATOM 0 HA ILE A 42 13.051 -10.570 7.381 1.00 75.45 H new ATOM 0 HB ILE A 42 13.202 -13.575 7.884 1.00 62.55 H new ATOM 0 HG12 ILE A 42 11.932 -11.377 9.564 1.00 2.31 H new ATOM 0 HG13 ILE A 42 11.055 -12.583 8.644 1.00 2.31 H new ATOM 0 HG21 ILE A 42 14.572 -12.926 9.840 1.00 4.41 H new ATOM 0 HG22 ILE A 42 15.320 -12.404 8.312 1.00 4.41 H new ATOM 0 HG23 ILE A 42 14.473 -11.222 9.337 1.00 4.41 H new ATOM 0 HD11 ILE A 42 11.141 -13.180 11.014 1.00 52.54 H new ATOM 0 HD12 ILE A 42 12.029 -14.374 10.037 1.00 52.54 H new ATOM 0 HD13 ILE A 42 12.920 -13.149 10.972 1.00 52.54 H new ATOM 691 N PRO A 43 14.979 -10.814 5.711 1.00 34.54 N ATOM 692 CA PRO A 43 14.801 -9.440 6.222 1.00 75.04 C ATOM 693 C PRO A 43 13.682 -8.664 5.494 1.00 1.12 C ATOM 694 O PRO A 43 13.207 -9.090 4.440 1.00 32.15 O ATOM 695 CB PRO A 43 16.169 -8.807 5.947 1.00 52.14 C ATOM 696 CG PRO A 43 16.645 -9.487 4.707 1.00 64.33 C ATOM 697 CD PRO A 43 16.140 -10.909 4.796 1.00 62.11 C ATOM 0 HA PRO A 43 14.498 -9.424 7.269 1.00 75.04 H new ATOM 0 HB2 PRO A 43 16.088 -7.729 5.804 1.00 52.14 H new ATOM 0 HB3 PRO A 43 16.856 -8.967 6.778 1.00 52.14 H new ATOM 0 HG2 PRO A 43 16.260 -8.990 3.816 1.00 64.33 H new ATOM 0 HG3 PRO A 43 17.733 -9.462 4.640 1.00 64.33 H new ATOM 0 HD2 PRO A 43 15.849 -11.292 3.818 1.00 62.11 H new ATOM 0 HD3 PRO A 43 16.904 -11.581 5.187 1.00 62.11 H new ATOM 705 N PRO A 44 13.228 -7.523 6.060 1.00 24.02 N ATOM 706 CA PRO A 44 12.202 -6.674 5.426 1.00 14.15 C ATOM 707 C PRO A 44 12.475 -6.396 3.931 1.00 34.04 C ATOM 708 O PRO A 44 13.597 -6.054 3.543 1.00 24.21 O ATOM 709 CB PRO A 44 12.272 -5.384 6.246 1.00 32.35 C ATOM 710 CG PRO A 44 12.697 -5.839 7.602 1.00 14.15 C ATOM 711 CD PRO A 44 13.648 -6.985 7.372 1.00 15.12 C ATOM 0 HA PRO A 44 11.222 -7.151 5.428 1.00 14.15 H new ATOM 0 HB2 PRO A 44 12.986 -4.679 5.820 1.00 32.35 H new ATOM 0 HB3 PRO A 44 11.306 -4.879 6.279 1.00 32.35 H new ATOM 0 HG2 PRO A 44 13.183 -5.032 8.151 1.00 14.15 H new ATOM 0 HG3 PRO A 44 11.839 -6.156 8.195 1.00 14.15 H new ATOM 0 HD2 PRO A 44 14.685 -6.649 7.355 1.00 15.12 H new ATOM 0 HD3 PRO A 44 13.569 -7.736 8.158 1.00 15.12 H new ATOM 719 N PRO A 45 11.444 -6.545 3.075 1.00 62.20 N ATOM 720 CA PRO A 45 11.579 -6.427 1.620 1.00 73.30 C ATOM 721 C PRO A 45 11.328 -5.004 1.083 1.00 32.52 C ATOM 722 O PRO A 45 10.917 -4.104 1.821 1.00 25.52 O ATOM 723 CB PRO A 45 10.481 -7.376 1.143 1.00 23.54 C ATOM 724 CG PRO A 45 9.384 -7.195 2.140 1.00 1.52 C ATOM 725 CD PRO A 45 10.050 -6.847 3.456 1.00 23.34 C ATOM 0 HA PRO A 45 12.588 -6.656 1.276 1.00 73.30 H new ATOM 0 HB2 PRO A 45 10.149 -7.127 0.135 1.00 23.54 H new ATOM 0 HB3 PRO A 45 10.830 -8.408 1.117 1.00 23.54 H new ATOM 0 HG2 PRO A 45 8.704 -6.402 1.828 1.00 1.52 H new ATOM 0 HG3 PRO A 45 8.791 -8.105 2.234 1.00 1.52 H new ATOM 0 HD2 PRO A 45 9.571 -5.992 3.933 1.00 23.34 H new ATOM 0 HD3 PRO A 45 9.999 -7.676 4.162 1.00 23.34 H new ATOM 733 N LYS A 46 11.597 -4.804 -0.208 1.00 42.15 N ATOM 734 CA LYS A 46 11.261 -3.543 -0.877 1.00 32.14 C ATOM 735 C LYS A 46 9.791 -3.560 -1.335 1.00 53.12 C ATOM 736 O LYS A 46 9.320 -4.554 -1.892 1.00 44.10 O ATOM 737 CB LYS A 46 12.196 -3.300 -2.074 1.00 65.44 C ATOM 738 CG LYS A 46 12.016 -1.934 -2.727 1.00 43.23 C ATOM 739 CD LYS A 46 12.222 -0.803 -1.724 1.00 14.40 C ATOM 740 CE LYS A 46 11.959 0.568 -2.338 1.00 23.31 C ATOM 741 NZ LYS A 46 11.965 1.637 -1.306 1.00 14.24 N ATOM 0 H LYS A 46 12.045 -5.495 -0.810 1.00 42.15 H new ATOM 0 HA LYS A 46 11.396 -2.726 -0.168 1.00 32.14 H new ATOM 0 HB2 LYS A 46 13.229 -3.401 -1.742 1.00 65.44 H new ATOM 0 HB3 LYS A 46 12.024 -4.075 -2.821 1.00 65.44 H new ATOM 0 HG2 LYS A 46 12.724 -1.826 -3.549 1.00 43.23 H new ATOM 0 HG3 LYS A 46 11.016 -1.864 -3.156 1.00 43.23 H new ATOM 0 HD2 LYS A 46 11.559 -0.951 -0.872 1.00 14.40 H new ATOM 0 HD3 LYS A 46 13.243 -0.839 -1.344 1.00 14.40 H new ATOM 0 HE2 LYS A 46 12.718 0.783 -3.090 1.00 23.31 H new ATOM 0 HE3 LYS A 46 10.997 0.560 -2.850 1.00 23.31 H new ATOM 0 HZ1 LYS A 46 11.783 2.556 -1.757 1.00 14.24 H new ATOM 0 HZ2 LYS A 46 11.224 1.444 -0.602 1.00 14.24 H new ATOM 0 HZ3 LYS A 46 12.892 1.660 -0.835 1.00 14.24 H new ATOM 755 N LEU A 47 9.073 -2.460 -1.097 1.00 43.23 N ATOM 756 CA LEU A 47 7.625 -2.403 -1.348 1.00 25.22 C ATOM 757 C LEU A 47 7.282 -1.545 -2.580 1.00 12.21 C ATOM 758 O LEU A 47 7.696 -0.388 -2.676 1.00 24.53 O ATOM 759 CB LEU A 47 6.922 -1.831 -0.108 1.00 73.41 C ATOM 760 CG LEU A 47 7.216 -2.569 1.211 1.00 13.40 C ATOM 761 CD1 LEU A 47 6.606 -1.826 2.397 1.00 73.55 C ATOM 762 CD2 LEU A 47 6.695 -4.005 1.152 1.00 2.10 C ATOM 0 H LEU A 47 9.468 -1.594 -0.730 1.00 43.23 H new ATOM 0 HA LEU A 47 7.279 -3.417 -1.551 1.00 25.22 H new ATOM 0 HB2 LEU A 47 7.213 -0.787 0.006 1.00 73.41 H new ATOM 0 HB3 LEU A 47 5.846 -1.845 -0.281 1.00 73.41 H new ATOM 0 HG LEU A 47 8.297 -2.600 1.348 1.00 13.40 H new ATOM 0 HD11 LEU A 47 6.827 -2.366 3.317 1.00 73.55 H new ATOM 0 HD12 LEU A 47 7.029 -0.823 2.455 1.00 73.55 H new ATOM 0 HD13 LEU A 47 5.526 -1.757 2.267 1.00 73.55 H new ATOM 0 HD21 LEU A 47 6.912 -4.510 2.093 1.00 2.10 H new ATOM 0 HD22 LEU A 47 5.618 -3.995 0.986 1.00 2.10 H new ATOM 0 HD23 LEU A 47 7.183 -4.536 0.335 1.00 2.10 H new ATOM 774 N PHE A 48 6.520 -2.116 -3.514 1.00 52.32 N ATOM 775 CA PHE A 48 6.090 -1.398 -4.722 1.00 23.45 C ATOM 776 C PHE A 48 4.557 -1.317 -4.819 1.00 55.34 C ATOM 777 O PHE A 48 3.876 -2.343 -4.879 1.00 41.34 O ATOM 778 CB PHE A 48 6.644 -2.093 -5.974 1.00 41.23 C ATOM 779 CG PHE A 48 8.149 -2.106 -6.052 1.00 43.13 C ATOM 780 CD1 PHE A 48 8.839 -1.011 -6.556 1.00 54.21 C ATOM 781 CD2 PHE A 48 8.874 -3.212 -5.627 1.00 5.13 C ATOM 782 CE1 PHE A 48 10.219 -1.020 -6.635 1.00 2.22 C ATOM 783 CE2 PHE A 48 10.253 -3.223 -5.706 1.00 35.44 C ATOM 784 CZ PHE A 48 10.926 -2.126 -6.208 1.00 12.40 C ATOM 0 H PHE A 48 6.185 -3.078 -3.459 1.00 52.32 H new ATOM 0 HA PHE A 48 6.482 -0.383 -4.657 1.00 23.45 H new ATOM 0 HB2 PHE A 48 6.280 -3.120 -5.998 1.00 41.23 H new ATOM 0 HB3 PHE A 48 6.249 -1.594 -6.859 1.00 41.23 H new ATOM 0 HD1 PHE A 48 8.291 -0.142 -6.890 1.00 54.21 H new ATOM 0 HD2 PHE A 48 8.354 -4.072 -5.231 1.00 5.13 H new ATOM 0 HE1 PHE A 48 10.743 -0.163 -7.030 1.00 2.22 H new ATOM 0 HE2 PHE A 48 10.806 -4.090 -5.375 1.00 35.44 H new ATOM 0 HZ PHE A 48 12.004 -2.134 -6.266 1.00 12.40 H new ATOM 794 N TRP A 49 4.021 -0.097 -4.834 1.00 35.12 N ATOM 795 CA TRP A 49 2.579 0.124 -5.024 1.00 34.00 C ATOM 796 C TRP A 49 2.290 0.721 -6.411 1.00 43.34 C ATOM 797 O TRP A 49 2.841 1.760 -6.780 1.00 13.45 O ATOM 798 CB TRP A 49 2.019 1.054 -3.936 1.00 41.32 C ATOM 799 CG TRP A 49 1.889 0.405 -2.589 1.00 3.22 C ATOM 800 CD1 TRP A 49 2.874 0.224 -1.666 1.00 0.44 C ATOM 801 CD2 TRP A 49 0.694 -0.138 -2.011 1.00 41.35 C ATOM 802 NE1 TRP A 49 2.370 -0.402 -0.552 1.00 4.20 N ATOM 803 CE2 TRP A 49 1.033 -0.634 -0.738 1.00 10.14 C ATOM 804 CE3 TRP A 49 -0.627 -0.256 -2.450 1.00 62.10 C ATOM 805 CZ2 TRP A 49 0.095 -1.232 0.104 1.00 12.52 C ATOM 806 CZ3 TRP A 49 -1.555 -0.850 -1.617 1.00 71.43 C ATOM 807 CH2 TRP A 49 -1.193 -1.330 -0.353 1.00 14.55 C ATOM 0 H TRP A 49 4.562 0.760 -4.717 1.00 35.12 H new ATOM 0 HA TRP A 49 2.087 -0.846 -4.949 1.00 34.00 H new ATOM 0 HB2 TRP A 49 2.668 1.925 -3.847 1.00 41.32 H new ATOM 0 HB3 TRP A 49 1.040 1.416 -4.250 1.00 41.32 H new ATOM 0 HD1 TRP A 49 3.903 0.529 -1.792 1.00 0.44 H new ATOM 0 HE1 TRP A 49 2.905 -0.653 0.279 1.00 4.20 H new ATOM 0 HE3 TRP A 49 -0.917 0.111 -3.423 1.00 62.10 H new ATOM 0 HZ2 TRP A 49 0.374 -1.604 1.079 1.00 12.52 H new ATOM 0 HZ3 TRP A 49 -2.579 -0.946 -1.947 1.00 71.43 H new ATOM 0 HH2 TRP A 49 -1.944 -1.787 0.275 1.00 14.55 H new ATOM 818 N LYS A 50 1.426 0.059 -7.173 1.00 1.23 N ATOM 819 CA LYS A 50 1.060 0.521 -8.517 1.00 2.12 C ATOM 820 C LYS A 50 -0.469 0.610 -8.677 1.00 41.32 C ATOM 821 O LYS A 50 -1.192 -0.337 -8.378 1.00 25.23 O ATOM 822 CB LYS A 50 1.675 -0.423 -9.563 1.00 64.22 C ATOM 823 CG LYS A 50 1.333 -0.081 -11.008 1.00 60.25 C ATOM 824 CD LYS A 50 2.184 -0.872 -12.010 1.00 14.42 C ATOM 825 CE LYS A 50 1.893 -2.378 -11.996 1.00 11.41 C ATOM 826 NZ LYS A 50 2.402 -3.062 -10.771 1.00 42.42 N ATOM 0 H LYS A 50 0.962 -0.803 -6.886 1.00 1.23 H new ATOM 0 HA LYS A 50 1.456 1.525 -8.669 1.00 2.12 H new ATOM 0 HB2 LYS A 50 2.759 -0.414 -9.448 1.00 64.22 H new ATOM 0 HB3 LYS A 50 1.341 -1.440 -9.356 1.00 64.22 H new ATOM 0 HG2 LYS A 50 0.278 -0.287 -11.188 1.00 60.25 H new ATOM 0 HG3 LYS A 50 1.481 0.986 -11.171 1.00 60.25 H new ATOM 0 HD2 LYS A 50 2.007 -0.484 -13.013 1.00 14.42 H new ATOM 0 HD3 LYS A 50 3.239 -0.711 -11.788 1.00 14.42 H new ATOM 0 HE2 LYS A 50 0.817 -2.535 -12.072 1.00 11.41 H new ATOM 0 HE3 LYS A 50 2.345 -2.837 -12.875 1.00 11.41 H new ATOM 0 HZ1 LYS A 50 2.866 -3.954 -11.039 1.00 42.42 H new ATOM 0 HZ2 LYS A 50 3.087 -2.446 -10.289 1.00 42.42 H new ATOM 0 HZ3 LYS A 50 1.608 -3.264 -10.131 1.00 42.42 H new ATOM 840 N ARG A 51 -0.946 1.761 -9.149 1.00 40.33 N ATOM 841 CA ARG A 51 -2.386 2.036 -9.292 1.00 1.53 C ATOM 842 C ARG A 51 -2.810 2.078 -10.768 1.00 22.02 C ATOM 843 O ARG A 51 -2.372 2.955 -11.509 1.00 2.01 O ATOM 844 CB ARG A 51 -2.715 3.392 -8.652 1.00 53.12 C ATOM 845 CG ARG A 51 -4.134 3.877 -8.929 1.00 4.01 C ATOM 846 CD ARG A 51 -4.301 5.364 -8.623 1.00 44.03 C ATOM 847 NE ARG A 51 -5.429 5.934 -9.353 1.00 23.41 N ATOM 848 CZ ARG A 51 -5.415 6.182 -10.634 1.00 53.12 C ATOM 849 NH1 ARG A 51 -4.347 5.958 -11.338 1.00 44.13 N ATOM 850 NH2 ARG A 51 -6.467 6.653 -11.215 1.00 52.14 N ATOM 0 H ARG A 51 -0.349 2.534 -9.445 1.00 40.33 H new ATOM 0 HA ARG A 51 -2.928 1.231 -8.795 1.00 1.53 H new ATOM 0 HB2 ARG A 51 -2.570 3.319 -7.574 1.00 53.12 H new ATOM 0 HB3 ARG A 51 -2.009 4.137 -9.019 1.00 53.12 H new ATOM 0 HG2 ARG A 51 -4.383 3.692 -9.974 1.00 4.01 H new ATOM 0 HG3 ARG A 51 -4.838 3.302 -8.327 1.00 4.01 H new ATOM 0 HD2 ARG A 51 -4.451 5.502 -7.552 1.00 44.03 H new ATOM 0 HD3 ARG A 51 -3.388 5.896 -8.888 1.00 44.03 H new ATOM 0 HE ARG A 51 -6.278 6.151 -8.831 1.00 23.41 H new ATOM 0 HH11 ARG A 51 -3.510 5.585 -10.890 1.00 44.13 H new ATOM 0 HH12 ARG A 51 -4.345 6.155 -12.339 1.00 44.13 H new ATOM 0 HH21 ARG A 51 -7.312 6.832 -10.673 1.00 52.14 H new ATOM 0 HH22 ARG A 51 -6.453 6.846 -12.216 1.00 52.14 H new ATOM 864 N ASN A 52 -3.675 1.152 -11.185 1.00 20.14 N ATOM 865 CA ASN A 52 -4.185 1.128 -12.567 1.00 50.34 C ATOM 866 C ASN A 52 -3.037 1.057 -13.594 1.00 41.22 C ATOM 867 O ASN A 52 -3.106 1.684 -14.654 1.00 44.11 O ATOM 868 CB ASN A 52 -5.048 2.370 -12.846 1.00 61.04 C ATOM 869 CG ASN A 52 -6.256 2.477 -11.935 1.00 61.02 C ATOM 870 OD1 ASN A 52 -6.735 1.491 -11.389 1.00 44.12 O ATOM 871 ND2 ASN A 52 -6.777 3.679 -11.781 1.00 23.22 N ATOM 0 H ASN A 52 -4.040 0.408 -10.591 1.00 20.14 H new ATOM 0 HA ASN A 52 -4.796 0.231 -12.671 1.00 50.34 H new ATOM 0 HB2 ASN A 52 -4.435 3.264 -12.731 1.00 61.04 H new ATOM 0 HB3 ASN A 52 -5.384 2.345 -13.883 1.00 61.04 H new ATOM 0 HD21 ASN A 52 -7.601 3.806 -11.194 1.00 23.22 H new ATOM 0 HD22 ASN A 52 -6.355 4.481 -12.249 1.00 23.22 H new ATOM 878 N ASN A 53 -1.998 0.279 -13.270 1.00 40.52 N ATOM 879 CA ASN A 53 -0.793 0.153 -14.113 1.00 35.31 C ATOM 880 C ASN A 53 0.084 1.425 -14.070 1.00 73.34 C ATOM 881 O ASN A 53 1.129 1.488 -14.723 1.00 11.40 O ATOM 882 CB ASN A 53 -1.167 -0.195 -15.566 1.00 3.02 C ATOM 883 CG ASN A 53 -1.898 -1.522 -15.674 1.00 63.32 C ATOM 884 OD1 ASN A 53 -1.662 -2.443 -14.901 1.00 41.54 O ATOM 885 ND2 ASN A 53 -2.799 -1.630 -16.627 1.00 35.43 N ATOM 0 H ASN A 53 -1.964 -0.282 -12.419 1.00 40.52 H new ATOM 0 HA ASN A 53 -0.203 -0.665 -13.700 1.00 35.31 H new ATOM 0 HB2 ASN A 53 -1.794 0.597 -15.976 1.00 3.02 H new ATOM 0 HB3 ASN A 53 -0.262 -0.231 -16.172 1.00 3.02 H new ATOM 0 HD21 ASN A 53 -3.323 -2.498 -16.737 1.00 35.43 H new ATOM 0 HD22 ASN A 53 -2.973 -0.846 -17.255 1.00 35.43 H new ATOM 892 N GLU A 54 -0.338 2.424 -13.292 1.00 54.24 N ATOM 893 CA GLU A 54 0.429 3.667 -13.113 1.00 61.42 C ATOM 894 C GLU A 54 1.256 3.631 -11.810 1.00 2.24 C ATOM 895 O GLU A 54 0.783 3.162 -10.773 1.00 34.33 O ATOM 896 CB GLU A 54 -0.525 4.874 -13.090 1.00 20.14 C ATOM 897 CG GLU A 54 -1.381 5.014 -14.348 1.00 22.04 C ATOM 898 CD GLU A 54 -2.385 6.158 -14.259 1.00 40.23 C ATOM 899 OE1 GLU A 54 -2.018 7.308 -14.587 1.00 15.45 O ATOM 900 OE2 GLU A 54 -3.549 5.912 -13.872 1.00 42.54 O ATOM 0 H GLU A 54 -1.214 2.399 -12.770 1.00 54.24 H new ATOM 0 HA GLU A 54 1.118 3.762 -13.952 1.00 61.42 H new ATOM 0 HB2 GLU A 54 -1.181 4.789 -12.224 1.00 20.14 H new ATOM 0 HB3 GLU A 54 0.060 5.784 -12.958 1.00 20.14 H new ATOM 0 HG2 GLU A 54 -0.731 5.174 -15.208 1.00 22.04 H new ATOM 0 HG3 GLU A 54 -1.916 4.081 -14.523 1.00 22.04 H new ATOM 907 N MET A 55 2.488 4.132 -11.869 1.00 25.55 N ATOM 908 CA MET A 55 3.393 4.119 -10.710 1.00 54.05 C ATOM 909 C MET A 55 3.042 5.227 -9.697 1.00 51.34 C ATOM 910 O MET A 55 2.939 6.400 -10.054 1.00 52.22 O ATOM 911 CB MET A 55 4.848 4.291 -11.176 1.00 44.15 C ATOM 912 CG MET A 55 5.896 4.166 -10.066 1.00 5.31 C ATOM 913 SD MET A 55 6.493 2.474 -9.815 1.00 1.04 S ATOM 914 CE MET A 55 5.047 1.651 -9.145 1.00 2.34 C ATOM 0 H MET A 55 2.888 4.554 -12.707 1.00 25.55 H new ATOM 0 HA MET A 55 3.275 3.157 -10.212 1.00 54.05 H new ATOM 0 HB2 MET A 55 5.060 3.545 -11.942 1.00 44.15 H new ATOM 0 HB3 MET A 55 4.951 5.269 -11.646 1.00 44.15 H new ATOM 0 HG2 MET A 55 6.743 4.809 -10.304 1.00 5.31 H new ATOM 0 HG3 MET A 55 5.469 4.534 -9.133 1.00 5.31 H new ATOM 0 HE1 MET A 55 5.360 0.802 -8.537 1.00 2.34 H new ATOM 0 HE2 MET A 55 4.483 2.351 -8.528 1.00 2.34 H new ATOM 0 HE3 MET A 55 4.417 1.299 -9.962 1.00 2.34 H new ATOM 924 N VAL A 56 2.875 4.848 -8.428 1.00 71.40 N ATOM 925 CA VAL A 56 2.562 5.811 -7.360 1.00 12.11 C ATOM 926 C VAL A 56 3.838 6.488 -6.821 1.00 0.23 C ATOM 927 O VAL A 56 4.861 5.831 -6.622 1.00 60.33 O ATOM 928 CB VAL A 56 1.814 5.122 -6.187 1.00 1.21 C ATOM 929 CG1 VAL A 56 1.424 6.134 -5.108 1.00 73.34 C ATOM 930 CG2 VAL A 56 0.583 4.376 -6.702 1.00 43.50 C ATOM 0 H VAL A 56 2.951 3.882 -8.111 1.00 71.40 H new ATOM 0 HA VAL A 56 1.917 6.572 -7.798 1.00 12.11 H new ATOM 0 HB VAL A 56 2.492 4.399 -5.733 1.00 1.21 H new ATOM 0 HG11 VAL A 56 0.902 5.621 -4.300 1.00 73.34 H new ATOM 0 HG12 VAL A 56 2.322 6.611 -4.715 1.00 73.34 H new ATOM 0 HG13 VAL A 56 0.770 6.892 -5.539 1.00 73.34 H new ATOM 0 HG21 VAL A 56 0.071 3.899 -5.866 1.00 43.50 H new ATOM 0 HG22 VAL A 56 -0.093 5.080 -7.188 1.00 43.50 H new ATOM 0 HG23 VAL A 56 0.892 3.616 -7.420 1.00 43.50 H new ATOM 940 N GLN A 57 3.768 7.802 -6.590 1.00 13.34 N ATOM 941 CA GLN A 57 4.916 8.573 -6.082 1.00 23.04 C ATOM 942 C GLN A 57 4.753 8.913 -4.590 1.00 20.11 C ATOM 943 O GLN A 57 3.679 9.325 -4.150 1.00 61.25 O ATOM 944 CB GLN A 57 5.092 9.863 -6.897 1.00 71.44 C ATOM 945 CG GLN A 57 3.863 10.771 -6.901 1.00 34.03 C ATOM 946 CD GLN A 57 4.070 12.063 -7.677 1.00 34.44 C ATOM 947 OE1 GLN A 57 3.492 13.097 -7.353 1.00 3.32 O ATOM 948 NE2 GLN A 57 4.875 12.014 -8.719 1.00 33.30 N ATOM 0 H GLN A 57 2.928 8.359 -6.746 1.00 13.34 H new ATOM 0 HA GLN A 57 5.806 7.953 -6.191 1.00 23.04 H new ATOM 0 HB2 GLN A 57 5.940 10.419 -6.498 1.00 71.44 H new ATOM 0 HB3 GLN A 57 5.339 9.599 -7.925 1.00 71.44 H new ATOM 0 HG2 GLN A 57 3.021 10.229 -7.331 1.00 34.03 H new ATOM 0 HG3 GLN A 57 3.595 11.012 -5.872 1.00 34.03 H new ATOM 0 HE21 GLN A 57 5.341 11.140 -8.963 1.00 33.30 H new ATOM 0 HE22 GLN A 57 5.032 12.850 -9.282 1.00 33.30 H new ATOM 957 N PHE A 58 5.828 8.750 -3.818 1.00 75.33 N ATOM 958 CA PHE A 58 5.790 8.990 -2.364 1.00 71.42 C ATOM 959 C PHE A 58 6.694 10.171 -1.962 1.00 21.21 C ATOM 960 O PHE A 58 7.158 10.253 -0.823 1.00 10.33 O ATOM 961 CB PHE A 58 6.230 7.718 -1.622 1.00 14.32 C ATOM 962 CG PHE A 58 5.503 6.473 -2.073 1.00 40.23 C ATOM 963 CD1 PHE A 58 4.187 6.246 -1.701 1.00 5.41 C ATOM 964 CD2 PHE A 58 6.137 5.536 -2.878 1.00 1.13 C ATOM 965 CE1 PHE A 58 3.519 5.112 -2.124 1.00 73.03 C ATOM 966 CE2 PHE A 58 5.473 4.400 -3.299 1.00 52.54 C ATOM 967 CZ PHE A 58 4.161 4.189 -2.923 1.00 4.50 C ATOM 0 H PHE A 58 6.738 8.453 -4.170 1.00 75.33 H new ATOM 0 HA PHE A 58 4.767 9.245 -2.088 1.00 71.42 H new ATOM 0 HB2 PHE A 58 7.301 7.576 -1.766 1.00 14.32 H new ATOM 0 HB3 PHE A 58 6.068 7.856 -0.553 1.00 14.32 H new ATOM 0 HD1 PHE A 58 3.678 6.963 -1.074 1.00 5.41 H new ATOM 0 HD2 PHE A 58 7.162 5.697 -3.179 1.00 1.13 H new ATOM 0 HE1 PHE A 58 2.493 4.949 -1.828 1.00 73.03 H new ATOM 0 HE2 PHE A 58 5.980 3.677 -3.922 1.00 52.54 H new ATOM 0 HZ PHE A 58 3.639 3.303 -3.254 1.00 4.50 H new ATOM 977 N ASN A 59 6.932 11.092 -2.896 1.00 44.14 N ATOM 978 CA ASN A 59 7.819 12.240 -2.648 1.00 45.13 C ATOM 979 C ASN A 59 7.066 13.448 -2.062 1.00 62.54 C ATOM 980 O ASN A 59 7.685 14.425 -1.635 1.00 15.41 O ATOM 981 CB ASN A 59 8.522 12.645 -3.951 1.00 33.15 C ATOM 982 CG ASN A 59 7.543 13.069 -5.031 1.00 51.21 C ATOM 983 OD1 ASN A 59 7.052 12.249 -5.800 1.00 22.55 O ATOM 984 ND2 ASN A 59 7.258 14.352 -5.106 1.00 44.34 N ATOM 0 H ASN A 59 6.526 11.070 -3.831 1.00 44.14 H new ATOM 0 HA ASN A 59 8.556 11.928 -1.908 1.00 45.13 H new ATOM 0 HB2 ASN A 59 9.212 13.464 -3.749 1.00 33.15 H new ATOM 0 HB3 ASN A 59 9.118 11.808 -4.314 1.00 33.15 H new ATOM 0 HD21 ASN A 59 6.612 14.690 -5.819 1.00 44.34 H new ATOM 0 HD22 ASN A 59 7.683 15.008 -4.451 1.00 44.34 H new ATOM 991 N THR A 60 5.738 13.375 -2.027 1.00 50.43 N ATOM 992 CA THR A 60 4.905 14.508 -1.577 1.00 41.04 C ATOM 993 C THR A 60 4.333 14.286 -0.172 1.00 32.14 C ATOM 994 O THR A 60 4.304 13.166 0.335 1.00 60.31 O ATOM 995 CB THR A 60 3.732 14.781 -2.557 1.00 14.15 C ATOM 996 OG1 THR A 60 2.802 15.711 -1.973 1.00 65.22 O ATOM 997 CG2 THR A 60 3.000 13.494 -2.926 1.00 54.04 C ATOM 0 H THR A 60 5.208 12.548 -2.303 1.00 50.43 H new ATOM 0 HA THR A 60 5.568 15.373 -1.554 1.00 41.04 H new ATOM 0 HB THR A 60 4.156 15.208 -3.466 1.00 14.15 H new ATOM 0 HG1 THR A 60 2.068 15.877 -2.600 1.00 65.22 H new ATOM 0 HG21 THR A 60 2.185 13.723 -3.613 1.00 54.04 H new ATOM 0 HG22 THR A 60 3.695 12.804 -3.405 1.00 54.04 H new ATOM 0 HG23 THR A 60 2.596 13.034 -2.024 1.00 54.04 H new ATOM 1005 N ASP A 61 3.871 15.368 0.452 1.00 14.24 N ATOM 1006 CA ASP A 61 3.283 15.300 1.792 1.00 70.41 C ATOM 1007 C ASP A 61 1.891 14.644 1.752 1.00 32.44 C ATOM 1008 O ASP A 61 1.383 14.183 2.772 1.00 73.02 O ATOM 1009 CB ASP A 61 3.213 16.709 2.400 1.00 73.34 C ATOM 1010 CG ASP A 61 2.679 16.713 3.825 1.00 11.14 C ATOM 1011 OD1 ASP A 61 3.403 16.275 4.743 1.00 50.03 O ATOM 1012 OD2 ASP A 61 1.538 17.169 4.039 1.00 11.44 O ATOM 0 H ASP A 61 3.892 16.306 0.051 1.00 14.24 H new ATOM 0 HA ASP A 61 3.918 14.678 2.423 1.00 70.41 H new ATOM 0 HB2 ASP A 61 4.208 17.154 2.389 1.00 73.34 H new ATOM 0 HB3 ASP A 61 2.576 17.337 1.777 1.00 73.34 H new ATOM 1017 N ARG A 62 1.286 14.597 0.561 1.00 71.44 N ATOM 1018 CA ARG A 62 -0.017 13.943 0.370 1.00 13.15 C ATOM 1019 C ARG A 62 0.083 12.410 0.450 1.00 72.13 C ATOM 1020 O ARG A 62 -0.758 11.755 1.065 1.00 3.35 O ATOM 1021 CB ARG A 62 -0.614 14.323 -0.993 1.00 14.04 C ATOM 1022 CG ARG A 62 -1.004 15.789 -1.125 1.00 73.42 C ATOM 1023 CD ARG A 62 -1.647 16.074 -2.481 1.00 43.44 C ATOM 1024 NE ARG A 62 -2.823 15.233 -2.716 1.00 5.14 N ATOM 1025 CZ ARG A 62 -3.310 14.949 -3.899 1.00 23.20 C ATOM 1026 NH1 ARG A 62 -2.752 15.407 -4.976 1.00 11.42 N ATOM 1027 NH2 ARG A 62 -4.358 14.198 -4.003 1.00 43.12 N ATOM 0 H ARG A 62 1.677 15.004 -0.288 1.00 71.44 H new ATOM 0 HA ARG A 62 -0.661 14.291 1.178 1.00 13.15 H new ATOM 0 HB2 ARG A 62 0.109 14.081 -1.772 1.00 14.04 H new ATOM 0 HB3 ARG A 62 -1.496 13.708 -1.174 1.00 14.04 H new ATOM 0 HG2 ARG A 62 -1.698 16.056 -0.328 1.00 73.42 H new ATOM 0 HG3 ARG A 62 -0.120 16.415 -1.001 1.00 73.42 H new ATOM 0 HD2 ARG A 62 -1.936 17.124 -2.532 1.00 43.44 H new ATOM 0 HD3 ARG A 62 -0.916 15.905 -3.272 1.00 43.44 H new ATOM 0 HE ARG A 62 -3.296 14.841 -1.902 1.00 5.14 H new ATOM 0 HH11 ARG A 62 -1.923 15.997 -4.909 1.00 11.42 H new ATOM 0 HH12 ARG A 62 -3.142 15.177 -5.890 1.00 11.42 H new ATOM 0 HH21 ARG A 62 -4.805 13.827 -3.164 1.00 43.12 H new ATOM 0 HH22 ARG A 62 -4.737 13.977 -4.924 1.00 43.12 H new ATOM 1041 N ILE A 63 1.105 11.847 -0.193 1.00 11.35 N ATOM 1042 CA ILE A 63 1.244 10.387 -0.318 1.00 24.33 C ATOM 1043 C ILE A 63 2.534 9.888 0.348 1.00 44.30 C ATOM 1044 O ILE A 63 3.617 10.410 0.084 1.00 44.31 O ATOM 1045 CB ILE A 63 1.265 9.953 -1.809 1.00 62.21 C ATOM 1046 CG1 ILE A 63 0.088 10.574 -2.579 1.00 53.14 C ATOM 1047 CG2 ILE A 63 1.243 8.428 -1.936 1.00 61.41 C ATOM 1048 CD1 ILE A 63 -1.277 10.173 -2.056 1.00 75.31 C ATOM 0 H ILE A 63 1.854 12.377 -0.639 1.00 11.35 H new ATOM 0 HA ILE A 63 0.382 9.947 0.183 1.00 24.33 H new ATOM 0 HB ILE A 63 2.193 10.319 -2.249 1.00 62.21 H new ATOM 0 HG12 ILE A 63 0.175 11.660 -2.540 1.00 53.14 H new ATOM 0 HG13 ILE A 63 0.162 10.286 -3.628 1.00 53.14 H new ATOM 0 HG21 ILE A 63 1.258 8.150 -2.990 1.00 61.41 H new ATOM 0 HG22 ILE A 63 2.117 8.009 -1.438 1.00 61.41 H new ATOM 0 HG23 ILE A 63 0.338 8.037 -1.471 1.00 61.41 H new ATOM 0 HD11 ILE A 63 -2.051 10.654 -2.654 1.00 75.31 H new ATOM 0 HD12 ILE A 63 -1.388 9.091 -2.121 1.00 75.31 H new ATOM 0 HD13 ILE A 63 -1.375 10.486 -1.016 1.00 75.31 H new ATOM 1060 N SER A 64 2.421 8.869 1.197 1.00 51.40 N ATOM 1061 CA SER A 64 3.597 8.287 1.860 1.00 72.11 C ATOM 1062 C SER A 64 3.421 6.790 2.125 1.00 31.41 C ATOM 1063 O SER A 64 2.303 6.291 2.241 1.00 13.42 O ATOM 1064 CB SER A 64 3.893 9.006 3.181 1.00 1.43 C ATOM 1065 OG SER A 64 2.815 8.878 4.099 1.00 44.55 O ATOM 0 H SER A 64 1.535 8.428 1.444 1.00 51.40 H new ATOM 0 HA SER A 64 4.438 8.419 1.179 1.00 72.11 H new ATOM 0 HB2 SER A 64 4.800 8.595 3.624 1.00 1.43 H new ATOM 0 HB3 SER A 64 4.083 10.062 2.987 1.00 1.43 H new ATOM 0 HG SER A 64 3.037 9.346 4.931 1.00 44.55 H new ATOM 1071 N LEU A 65 4.541 6.080 2.217 1.00 24.10 N ATOM 1072 CA LEU A 65 4.542 4.640 2.491 1.00 52.22 C ATOM 1073 C LEU A 65 5.635 4.279 3.506 1.00 23.42 C ATOM 1074 O LEU A 65 6.789 4.688 3.356 1.00 22.54 O ATOM 1075 CB LEU A 65 4.779 3.863 1.188 1.00 14.31 C ATOM 1076 CG LEU A 65 4.920 2.338 1.340 1.00 4.14 C ATOM 1077 CD1 LEU A 65 3.604 1.707 1.785 1.00 34.24 C ATOM 1078 CD2 LEU A 65 5.419 1.712 0.039 1.00 21.41 C ATOM 0 H LEU A 65 5.472 6.481 2.105 1.00 24.10 H new ATOM 0 HA LEU A 65 3.573 4.370 2.910 1.00 52.22 H new ATOM 0 HB2 LEU A 65 3.952 4.068 0.508 1.00 14.31 H new ATOM 0 HB3 LEU A 65 5.683 4.248 0.715 1.00 14.31 H new ATOM 0 HG LEU A 65 5.659 2.141 2.116 1.00 4.14 H new ATOM 0 HD11 LEU A 65 3.733 0.629 1.884 1.00 34.24 H new ATOM 0 HD12 LEU A 65 3.306 2.127 2.746 1.00 34.24 H new ATOM 0 HD13 LEU A 65 2.832 1.913 1.043 1.00 34.24 H new ATOM 0 HD21 LEU A 65 5.512 0.634 0.167 1.00 21.41 H new ATOM 0 HD22 LEU A 65 4.710 1.923 -0.762 1.00 21.41 H new ATOM 0 HD23 LEU A 65 6.391 2.132 -0.218 1.00 21.41 H new ATOM 1090 N TYR A 66 5.281 3.514 4.537 1.00 12.12 N ATOM 1091 CA TYR A 66 6.272 3.062 5.520 1.00 75.10 C ATOM 1092 C TYR A 66 5.998 1.629 5.993 1.00 35.35 C ATOM 1093 O TYR A 66 4.871 1.133 5.911 1.00 54.34 O ATOM 1094 CB TYR A 66 6.329 4.023 6.721 1.00 61.30 C ATOM 1095 CG TYR A 66 5.099 4.024 7.616 1.00 1.21 C ATOM 1096 CD1 TYR A 66 4.015 4.855 7.350 1.00 21.34 C ATOM 1097 CD2 TYR A 66 5.037 3.211 8.744 1.00 23.41 C ATOM 1098 CE1 TYR A 66 2.906 4.871 8.175 1.00 32.54 C ATOM 1099 CE2 TYR A 66 3.933 3.225 9.575 1.00 45.30 C ATOM 1100 CZ TYR A 66 2.871 4.057 9.287 1.00 32.42 C ATOM 1101 OH TYR A 66 1.774 4.074 10.119 1.00 12.11 O ATOM 0 H TYR A 66 4.328 3.196 4.715 1.00 12.12 H new ATOM 0 HA TYR A 66 7.242 3.064 5.023 1.00 75.10 H new ATOM 0 HB2 TYR A 66 7.198 3.768 7.327 1.00 61.30 H new ATOM 0 HB3 TYR A 66 6.486 5.035 6.348 1.00 61.30 H new ATOM 0 HD1 TYR A 66 4.041 5.499 6.483 1.00 21.34 H new ATOM 0 HD2 TYR A 66 5.866 2.558 8.974 1.00 23.41 H new ATOM 0 HE1 TYR A 66 2.071 5.518 7.950 1.00 32.54 H new ATOM 0 HE2 TYR A 66 3.902 2.587 10.446 1.00 45.30 H new ATOM 0 HH TYR A 66 1.911 3.441 10.854 1.00 12.11 H new ATOM 1111 N GLN A 67 7.046 0.968 6.477 1.00 21.22 N ATOM 1112 CA GLN A 67 6.933 -0.384 7.031 1.00 34.30 C ATOM 1113 C GLN A 67 7.406 -0.407 8.494 1.00 64.41 C ATOM 1114 O GLN A 67 8.533 -0.017 8.803 1.00 4.40 O ATOM 1115 CB GLN A 67 7.741 -1.375 6.178 1.00 22.42 C ATOM 1116 CG GLN A 67 9.173 -0.927 5.895 1.00 2.31 C ATOM 1117 CD GLN A 67 9.951 -1.935 5.062 1.00 62.31 C ATOM 1118 OE1 GLN A 67 10.611 -2.818 5.596 1.00 44.44 O ATOM 1119 NE2 GLN A 67 9.885 -1.811 3.752 1.00 54.12 N ATOM 0 H GLN A 67 7.992 1.348 6.498 1.00 21.22 H new ATOM 0 HA GLN A 67 5.886 -0.686 7.010 1.00 34.30 H new ATOM 0 HB2 GLN A 67 7.766 -2.339 6.686 1.00 22.42 H new ATOM 0 HB3 GLN A 67 7.225 -1.528 5.230 1.00 22.42 H new ATOM 0 HG2 GLN A 67 9.153 0.030 5.374 1.00 2.31 H new ATOM 0 HG3 GLN A 67 9.692 -0.765 6.840 1.00 2.31 H new ATOM 0 HE21 GLN A 67 9.326 -1.065 3.338 1.00 54.12 H new ATOM 0 HE22 GLN A 67 10.392 -2.461 3.152 1.00 54.12 H new ATOM 1128 N ASP A 68 6.539 -0.867 9.390 1.00 64.54 N ATOM 1129 CA ASP A 68 6.814 -0.832 10.829 1.00 24.12 C ATOM 1130 C ASP A 68 7.645 -2.044 11.295 1.00 61.13 C ATOM 1131 O ASP A 68 7.712 -3.069 10.614 1.00 41.52 O ATOM 1132 CB ASP A 68 5.487 -0.769 11.596 1.00 53.33 C ATOM 1133 CG ASP A 68 5.685 -0.523 13.079 1.00 64.12 C ATOM 1134 OD1 ASP A 68 5.880 0.643 13.469 1.00 61.41 O ATOM 1135 OD2 ASP A 68 5.671 -1.495 13.860 1.00 65.32 O ATOM 0 H ASP A 68 5.635 -1.271 9.147 1.00 64.54 H new ATOM 0 HA ASP A 68 7.408 0.058 11.037 1.00 24.12 H new ATOM 0 HB2 ASP A 68 4.867 0.025 11.179 1.00 53.33 H new ATOM 0 HB3 ASP A 68 4.945 -1.704 11.455 1.00 53.33 H new ATOM 1140 N ASN A 69 8.257 -1.917 12.475 1.00 54.44 N ATOM 1141 CA ASN A 69 9.082 -2.982 13.060 1.00 74.32 C ATOM 1142 C ASN A 69 8.315 -4.312 13.162 1.00 41.14 C ATOM 1143 O ASN A 69 8.888 -5.382 12.970 1.00 60.22 O ATOM 1144 CB ASN A 69 9.572 -2.556 14.452 1.00 70.43 C ATOM 1145 CG ASN A 69 10.493 -3.581 15.094 1.00 11.12 C ATOM 1146 OD1 ASN A 69 10.042 -4.510 15.756 1.00 41.11 O ATOM 1147 ND2 ASN A 69 11.788 -3.408 14.927 1.00 61.23 N ATOM 0 H ASN A 69 8.196 -1.078 13.051 1.00 54.44 H new ATOM 0 HA ASN A 69 9.934 -3.141 12.400 1.00 74.32 H new ATOM 0 HB2 ASN A 69 10.096 -1.604 14.371 1.00 70.43 H new ATOM 0 HB3 ASN A 69 8.711 -2.392 15.100 1.00 70.43 H new ATOM 0 HD21 ASN A 69 12.449 -4.057 15.354 1.00 61.23 H new ATOM 0 HD22 ASN A 69 12.130 -2.625 14.370 1.00 61.23 H new ATOM 1154 N THR A 70 7.013 -4.235 13.450 1.00 25.43 N ATOM 1155 CA THR A 70 6.176 -5.438 13.601 1.00 62.15 C ATOM 1156 C THR A 70 5.888 -6.123 12.252 1.00 0.13 C ATOM 1157 O THR A 70 5.249 -7.175 12.203 1.00 50.50 O ATOM 1158 CB THR A 70 4.826 -5.112 14.295 1.00 61.42 C ATOM 1159 OG1 THR A 70 4.101 -6.320 14.570 1.00 71.25 O ATOM 1160 CG2 THR A 70 3.963 -4.192 13.433 1.00 71.32 C ATOM 0 H THR A 70 6.512 -3.356 13.584 1.00 25.43 H new ATOM 0 HA THR A 70 6.750 -6.122 14.226 1.00 62.15 H new ATOM 0 HB THR A 70 5.054 -4.600 15.230 1.00 61.42 H new ATOM 0 HG1 THR A 70 4.267 -6.971 13.856 1.00 71.25 H new ATOM 0 HG21 THR A 70 3.025 -3.984 13.949 1.00 71.32 H new ATOM 0 HG22 THR A 70 4.494 -3.257 13.254 1.00 71.32 H new ATOM 0 HG23 THR A 70 3.753 -4.678 12.480 1.00 71.32 H new ATOM 1168 N GLY A 71 6.377 -5.532 11.164 1.00 42.22 N ATOM 1169 CA GLY A 71 6.135 -6.078 9.830 1.00 14.41 C ATOM 1170 C GLY A 71 4.856 -5.544 9.193 1.00 33.21 C ATOM 1171 O GLY A 71 4.265 -6.189 8.329 1.00 73.52 O ATOM 0 H GLY A 71 6.939 -4.681 11.179 1.00 42.22 H new ATOM 0 HA2 GLY A 71 6.982 -5.840 9.186 1.00 14.41 H new ATOM 0 HA3 GLY A 71 6.077 -7.165 9.893 1.00 14.41 H new ATOM 1175 N ARG A 72 4.430 -4.358 9.618 1.00 45.13 N ATOM 1176 CA ARG A 72 3.199 -3.750 9.103 1.00 0.03 C ATOM 1177 C ARG A 72 3.490 -2.765 7.963 1.00 72.13 C ATOM 1178 O ARG A 72 4.240 -1.808 8.135 1.00 2.32 O ATOM 1179 CB ARG A 72 2.452 -3.025 10.229 1.00 2.41 C ATOM 1180 CG ARG A 72 1.140 -2.378 9.784 1.00 3.41 C ATOM 1181 CD ARG A 72 0.426 -1.691 10.942 1.00 62.25 C ATOM 1182 NE ARG A 72 0.126 -2.626 12.023 1.00 0.44 N ATOM 1183 CZ ARG A 72 0.345 -2.388 13.284 1.00 65.55 C ATOM 1184 NH1 ARG A 72 0.816 -1.245 13.669 1.00 55.14 N ATOM 1185 NH2 ARG A 72 0.084 -3.295 14.167 1.00 15.05 N ATOM 0 H ARG A 72 4.916 -3.796 10.317 1.00 45.13 H new ATOM 0 HA ARG A 72 2.577 -4.554 8.710 1.00 0.03 H new ATOM 0 HB2 ARG A 72 2.243 -3.735 11.029 1.00 2.41 H new ATOM 0 HB3 ARG A 72 3.102 -2.256 10.647 1.00 2.41 H new ATOM 0 HG2 ARG A 72 1.342 -1.650 8.998 1.00 3.41 H new ATOM 0 HG3 ARG A 72 0.487 -3.138 9.354 1.00 3.41 H new ATOM 0 HD2 ARG A 72 1.048 -0.881 11.324 1.00 62.25 H new ATOM 0 HD3 ARG A 72 -0.499 -1.241 10.583 1.00 62.25 H new ATOM 0 HE ARG A 72 -0.283 -3.526 11.773 1.00 0.44 H new ATOM 0 HH11 ARG A 72 1.019 -0.520 12.981 1.00 55.14 H new ATOM 0 HH12 ARG A 72 0.984 -1.070 14.660 1.00 55.14 H new ATOM 0 HH21 ARG A 72 -0.293 -4.197 13.876 1.00 15.05 H new ATOM 0 HH22 ARG A 72 0.255 -3.109 15.155 1.00 15.05 H new ATOM 1199 N VAL A 73 2.881 -2.997 6.809 1.00 22.52 N ATOM 1200 CA VAL A 73 2.989 -2.078 5.675 1.00 2.34 C ATOM 1201 C VAL A 73 1.808 -1.102 5.675 1.00 11.24 C ATOM 1202 O VAL A 73 0.654 -1.524 5.725 1.00 73.42 O ATOM 1203 CB VAL A 73 3.015 -2.845 4.329 1.00 4.23 C ATOM 1204 CG1 VAL A 73 3.056 -1.875 3.145 1.00 2.14 C ATOM 1205 CG2 VAL A 73 4.199 -3.806 4.289 1.00 44.42 C ATOM 0 H VAL A 73 2.303 -3.818 6.629 1.00 22.52 H new ATOM 0 HA VAL A 73 3.925 -1.529 5.781 1.00 2.34 H new ATOM 0 HB VAL A 73 2.097 -3.427 4.248 1.00 4.23 H new ATOM 0 HG11 VAL A 73 3.074 -2.439 2.213 1.00 2.14 H new ATOM 0 HG12 VAL A 73 2.172 -1.237 3.166 1.00 2.14 H new ATOM 0 HG13 VAL A 73 3.951 -1.257 3.212 1.00 2.14 H new ATOM 0 HG21 VAL A 73 4.204 -4.338 3.337 1.00 44.42 H new ATOM 0 HG22 VAL A 73 5.127 -3.245 4.396 1.00 44.42 H new ATOM 0 HG23 VAL A 73 4.113 -4.523 5.105 1.00 44.42 H new ATOM 1215 N THR A 74 2.091 0.198 5.641 1.00 22.04 N ATOM 1216 CA THR A 74 1.029 1.210 5.712 1.00 63.13 C ATOM 1217 C THR A 74 1.174 2.291 4.632 1.00 73.14 C ATOM 1218 O THR A 74 2.167 3.020 4.586 1.00 54.14 O ATOM 1219 CB THR A 74 0.993 1.886 7.105 1.00 5.22 C ATOM 1220 OG1 THR A 74 0.814 0.890 8.127 1.00 5.20 O ATOM 1221 CG2 THR A 74 -0.134 2.914 7.197 1.00 75.33 C ATOM 0 H THR A 74 3.035 0.577 5.566 1.00 22.04 H new ATOM 0 HA THR A 74 0.094 0.678 5.538 1.00 63.13 H new ATOM 0 HB THR A 74 1.942 2.402 7.251 1.00 5.22 H new ATOM 0 HG1 THR A 74 0.794 1.323 9.006 1.00 5.20 H new ATOM 0 HG21 THR A 74 -0.131 3.370 8.187 1.00 75.33 H new ATOM 0 HG22 THR A 74 0.015 3.686 6.442 1.00 75.33 H new ATOM 0 HG23 THR A 74 -1.091 2.421 7.027 1.00 75.33 H new ATOM 1229 N LEU A 75 0.168 2.374 3.763 1.00 34.45 N ATOM 1230 CA LEU A 75 0.093 3.403 2.724 1.00 33.13 C ATOM 1231 C LEU A 75 -0.854 4.539 3.148 1.00 5.42 C ATOM 1232 O LEU A 75 -2.021 4.300 3.480 1.00 4.40 O ATOM 1233 CB LEU A 75 -0.398 2.771 1.412 1.00 11.23 C ATOM 1234 CG LEU A 75 -0.604 3.743 0.238 1.00 41.34 C ATOM 1235 CD1 LEU A 75 0.709 4.419 -0.143 1.00 15.24 C ATOM 1236 CD2 LEU A 75 -1.209 3.021 -0.964 1.00 21.31 C ATOM 0 H LEU A 75 -0.621 1.728 3.759 1.00 34.45 H new ATOM 0 HA LEU A 75 1.087 3.825 2.576 1.00 33.13 H new ATOM 0 HB2 LEU A 75 0.319 2.009 1.107 1.00 11.23 H new ATOM 0 HB3 LEU A 75 -1.341 2.261 1.607 1.00 11.23 H new ATOM 0 HG LEU A 75 -1.303 4.516 0.558 1.00 41.34 H new ATOM 0 HD11 LEU A 75 0.539 5.102 -0.975 1.00 15.24 H new ATOM 0 HD12 LEU A 75 1.092 4.977 0.711 1.00 15.24 H new ATOM 0 HD13 LEU A 75 1.436 3.662 -0.438 1.00 15.24 H new ATOM 0 HD21 LEU A 75 -1.346 3.728 -1.782 1.00 21.31 H new ATOM 0 HD22 LEU A 75 -0.540 2.222 -1.283 1.00 21.31 H new ATOM 0 HD23 LEU A 75 -2.174 2.597 -0.686 1.00 21.31 H new ATOM 1248 N LEU A 76 -0.349 5.769 3.140 1.00 62.43 N ATOM 1249 CA LEU A 76 -1.142 6.942 3.521 1.00 52.35 C ATOM 1250 C LEU A 76 -1.454 7.829 2.306 1.00 35.31 C ATOM 1251 O LEU A 76 -0.558 8.442 1.724 1.00 64.24 O ATOM 1252 CB LEU A 76 -0.390 7.760 4.584 1.00 4.31 C ATOM 1253 CG LEU A 76 -0.060 7.009 5.886 1.00 25.12 C ATOM 1254 CD1 LEU A 76 0.730 7.900 6.842 1.00 11.40 C ATOM 1255 CD2 LEU A 76 -1.338 6.495 6.553 1.00 4.41 C ATOM 0 H LEU A 76 0.612 5.984 2.873 1.00 62.43 H new ATOM 0 HA LEU A 76 -2.088 6.588 3.932 1.00 52.35 H new ATOM 0 HB2 LEU A 76 0.541 8.122 4.148 1.00 4.31 H new ATOM 0 HB3 LEU A 76 -0.988 8.637 4.832 1.00 4.31 H new ATOM 0 HG LEU A 76 0.562 6.150 5.634 1.00 25.12 H new ATOM 0 HD11 LEU A 76 0.952 7.347 7.755 1.00 11.40 H new ATOM 0 HD12 LEU A 76 1.662 8.206 6.368 1.00 11.40 H new ATOM 0 HD13 LEU A 76 0.141 8.784 7.087 1.00 11.40 H new ATOM 0 HD21 LEU A 76 -1.082 5.967 7.472 1.00 4.41 H new ATOM 0 HD22 LEU A 76 -1.990 7.337 6.788 1.00 4.41 H new ATOM 0 HD23 LEU A 76 -1.854 5.815 5.875 1.00 4.41 H new ATOM 1267 N ILE A 77 -2.731 7.886 1.926 1.00 50.23 N ATOM 1268 CA ILE A 77 -3.175 8.726 0.806 1.00 22.45 C ATOM 1269 C ILE A 77 -4.047 9.892 1.307 1.00 33.53 C ATOM 1270 O ILE A 77 -5.163 9.686 1.788 1.00 72.01 O ATOM 1271 CB ILE A 77 -3.969 7.884 -0.229 1.00 1.32 C ATOM 1272 CG1 ILE A 77 -3.087 6.744 -0.771 1.00 24.33 C ATOM 1273 CG2 ILE A 77 -4.484 8.761 -1.372 1.00 40.43 C ATOM 1274 CD1 ILE A 77 -3.806 5.800 -1.714 1.00 74.21 C ATOM 0 H ILE A 77 -3.480 7.360 2.377 1.00 50.23 H new ATOM 0 HA ILE A 77 -2.287 9.135 0.324 1.00 22.45 H new ATOM 0 HB ILE A 77 -4.834 7.450 0.272 1.00 1.32 H new ATOM 0 HG12 ILE A 77 -2.231 7.176 -1.290 1.00 24.33 H new ATOM 0 HG13 ILE A 77 -2.695 6.172 0.070 1.00 24.33 H new ATOM 0 HG21 ILE A 77 -5.036 8.146 -2.082 1.00 40.43 H new ATOM 0 HG22 ILE A 77 -5.142 9.532 -0.971 1.00 40.43 H new ATOM 0 HG23 ILE A 77 -3.641 9.231 -1.878 1.00 40.43 H new ATOM 0 HD11 ILE A 77 -3.116 5.026 -2.051 1.00 74.21 H new ATOM 0 HD12 ILE A 77 -4.645 5.337 -1.195 1.00 74.21 H new ATOM 0 HD13 ILE A 77 -4.175 6.357 -2.575 1.00 74.21 H new ATOM 1286 N LYS A 78 -3.523 11.112 1.204 1.00 74.35 N ATOM 1287 CA LYS A 78 -4.234 12.311 1.673 1.00 5.01 C ATOM 1288 C LYS A 78 -4.619 13.261 0.522 1.00 54.22 C ATOM 1289 O LYS A 78 -3.956 13.302 -0.520 1.00 25.52 O ATOM 1290 CB LYS A 78 -3.372 13.042 2.710 1.00 31.12 C ATOM 1291 CG LYS A 78 -3.149 12.234 3.987 1.00 50.41 C ATOM 1292 CD LYS A 78 -2.113 12.877 4.899 1.00 53.14 C ATOM 1293 CE LYS A 78 -0.735 12.873 4.256 1.00 63.41 C ATOM 1294 NZ LYS A 78 0.285 13.530 5.110 1.00 72.22 N ATOM 0 H LYS A 78 -2.606 11.302 0.799 1.00 74.35 H new ATOM 0 HA LYS A 78 -5.168 11.985 2.130 1.00 5.01 H new ATOM 0 HB2 LYS A 78 -2.406 13.281 2.266 1.00 31.12 H new ATOM 0 HB3 LYS A 78 -3.848 13.989 2.966 1.00 31.12 H new ATOM 0 HG2 LYS A 78 -4.093 12.137 4.523 1.00 50.41 H new ATOM 0 HG3 LYS A 78 -2.826 11.226 3.726 1.00 50.41 H new ATOM 0 HD2 LYS A 78 -2.409 13.902 5.124 1.00 53.14 H new ATOM 0 HD3 LYS A 78 -2.076 12.340 5.847 1.00 53.14 H new ATOM 0 HE2 LYS A 78 -0.432 11.845 4.057 1.00 63.41 H new ATOM 0 HE3 LYS A 78 -0.784 13.383 3.294 1.00 63.41 H new ATOM 0 HZ1 LYS A 78 1.018 13.958 4.509 1.00 72.22 H new ATOM 0 HZ2 LYS A 78 -0.167 14.270 5.684 1.00 72.22 H new ATOM 0 HZ3 LYS A 78 0.720 12.823 5.737 1.00 72.22 H new ATOM 1308 N ASP A 79 -5.701 14.022 0.733 1.00 11.44 N ATOM 1309 CA ASP A 79 -6.214 14.976 -0.260 1.00 62.30 C ATOM 1310 C ASP A 79 -6.595 14.250 -1.564 1.00 21.23 C ATOM 1311 O ASP A 79 -6.484 14.791 -2.659 1.00 3.34 O ATOM 1312 CB ASP A 79 -5.175 16.082 -0.513 1.00 52.55 C ATOM 1313 CG ASP A 79 -5.785 17.330 -1.134 1.00 62.43 C ATOM 1314 OD1 ASP A 79 -6.395 18.127 -0.389 1.00 52.44 O ATOM 1315 OD2 ASP A 79 -5.643 17.529 -2.357 1.00 43.02 O ATOM 0 H ASP A 79 -6.245 13.994 1.595 1.00 11.44 H new ATOM 0 HA ASP A 79 -7.118 15.443 0.130 1.00 62.30 H new ATOM 0 HB2 ASP A 79 -4.696 16.347 0.429 1.00 52.55 H new ATOM 0 HB3 ASP A 79 -4.395 15.698 -1.170 1.00 52.55 H new ATOM 1320 N VAL A 80 -7.078 13.024 -1.422 1.00 50.43 N ATOM 1321 CA VAL A 80 -7.392 12.174 -2.570 1.00 44.13 C ATOM 1322 C VAL A 80 -8.632 12.682 -3.337 1.00 44.35 C ATOM 1323 O VAL A 80 -9.650 13.032 -2.739 1.00 64.31 O ATOM 1324 CB VAL A 80 -7.620 10.707 -2.109 1.00 34.41 C ATOM 1325 CG1 VAL A 80 -8.882 10.589 -1.271 1.00 52.22 C ATOM 1326 CG2 VAL A 80 -7.675 9.753 -3.296 1.00 3.23 C ATOM 0 H VAL A 80 -7.263 12.590 -0.518 1.00 50.43 H new ATOM 0 HA VAL A 80 -6.540 12.213 -3.248 1.00 44.13 H new ATOM 0 HB VAL A 80 -6.769 10.423 -1.490 1.00 34.41 H new ATOM 0 HG11 VAL A 80 -9.018 9.553 -0.962 1.00 52.22 H new ATOM 0 HG12 VAL A 80 -8.793 11.222 -0.388 1.00 52.22 H new ATOM 0 HG13 VAL A 80 -9.742 10.907 -1.861 1.00 52.22 H new ATOM 0 HG21 VAL A 80 -7.835 8.736 -2.938 1.00 3.23 H new ATOM 0 HG22 VAL A 80 -8.494 10.039 -3.955 1.00 3.23 H new ATOM 0 HG23 VAL A 80 -6.734 9.800 -3.845 1.00 3.23 H new ATOM 1336 N ASN A 81 -8.524 12.759 -4.660 1.00 44.50 N ATOM 1337 CA ASN A 81 -9.669 13.118 -5.512 1.00 53.02 C ATOM 1338 C ASN A 81 -10.064 11.947 -6.426 1.00 73.52 C ATOM 1339 O ASN A 81 -9.383 10.924 -6.444 1.00 45.20 O ATOM 1340 CB ASN A 81 -9.357 14.387 -6.329 1.00 24.31 C ATOM 1341 CG ASN A 81 -8.041 14.335 -7.100 1.00 33.44 C ATOM 1342 OD1 ASN A 81 -7.361 15.345 -7.243 1.00 1.11 O ATOM 1343 ND2 ASN A 81 -7.676 13.186 -7.633 1.00 14.34 N ATOM 0 H ASN A 81 -7.660 12.579 -5.171 1.00 44.50 H new ATOM 0 HA ASN A 81 -10.522 13.333 -4.868 1.00 53.02 H new ATOM 0 HB2 ASN A 81 -10.170 14.559 -7.034 1.00 24.31 H new ATOM 0 HB3 ASN A 81 -9.334 15.242 -5.654 1.00 24.31 H new ATOM 0 HD21 ASN A 81 -6.814 13.126 -8.176 1.00 14.34 H new ATOM 0 HD22 ASN A 81 -8.255 12.357 -7.503 1.00 14.34 H new ATOM 1350 N LYS A 82 -11.145 12.106 -7.199 1.00 15.15 N ATOM 1351 CA LYS A 82 -11.620 11.040 -8.106 1.00 60.42 C ATOM 1352 C LYS A 82 -10.465 10.407 -8.907 1.00 4.41 C ATOM 1353 O LYS A 82 -10.362 9.186 -8.999 1.00 45.23 O ATOM 1354 CB LYS A 82 -12.670 11.581 -9.087 1.00 45.44 C ATOM 1355 CG LYS A 82 -14.014 11.941 -8.459 1.00 60.45 C ATOM 1356 CD LYS A 82 -14.733 10.716 -7.892 1.00 52.14 C ATOM 1357 CE LYS A 82 -16.228 10.970 -7.722 1.00 40.12 C ATOM 1358 NZ LYS A 82 -16.900 11.217 -9.023 1.00 62.22 N ATOM 0 H LYS A 82 -11.709 12.956 -7.219 1.00 15.15 H new ATOM 0 HA LYS A 82 -12.068 10.272 -7.475 1.00 60.42 H new ATOM 0 HB2 LYS A 82 -12.266 12.467 -9.577 1.00 45.44 H new ATOM 0 HB3 LYS A 82 -12.837 10.836 -9.865 1.00 45.44 H new ATOM 0 HG2 LYS A 82 -13.858 12.669 -7.663 1.00 60.45 H new ATOM 0 HG3 LYS A 82 -14.647 12.418 -9.208 1.00 60.45 H new ATOM 0 HD2 LYS A 82 -14.581 9.865 -8.556 1.00 52.14 H new ATOM 0 HD3 LYS A 82 -14.297 10.451 -6.929 1.00 52.14 H new ATOM 0 HE2 LYS A 82 -16.689 10.112 -7.233 1.00 40.12 H new ATOM 0 HE3 LYS A 82 -16.378 11.828 -7.067 1.00 40.12 H new ATOM 0 HZ1 LYS A 82 -17.914 11.001 -8.937 1.00 62.22 H new ATOM 0 HZ2 LYS A 82 -16.780 12.215 -9.292 1.00 62.22 H new ATOM 0 HZ3 LYS A 82 -16.477 10.609 -9.753 1.00 62.22 H new ATOM 1372 N LYS A 83 -9.596 11.249 -9.469 1.00 34.44 N ATOM 1373 CA LYS A 83 -8.456 10.775 -10.270 1.00 43.31 C ATOM 1374 C LYS A 83 -7.512 9.855 -9.475 1.00 53.14 C ATOM 1375 O LYS A 83 -6.916 8.937 -10.037 1.00 10.50 O ATOM 1376 CB LYS A 83 -7.662 11.967 -10.820 1.00 44.54 C ATOM 1377 CG LYS A 83 -8.463 12.864 -11.759 1.00 1.22 C ATOM 1378 CD LYS A 83 -9.007 12.096 -12.962 1.00 73.51 C ATOM 1379 CE LYS A 83 -7.895 11.463 -13.795 1.00 30.22 C ATOM 1380 NZ LYS A 83 -8.428 10.770 -14.999 1.00 1.50 N ATOM 0 H LYS A 83 -9.656 12.264 -9.387 1.00 34.44 H new ATOM 0 HA LYS A 83 -8.872 10.190 -11.090 1.00 43.31 H new ATOM 0 HB2 LYS A 83 -7.298 12.565 -9.984 1.00 44.54 H new ATOM 0 HB3 LYS A 83 -6.786 11.594 -11.350 1.00 44.54 H new ATOM 0 HG2 LYS A 83 -9.292 13.313 -11.211 1.00 1.22 H new ATOM 0 HG3 LYS A 83 -7.830 13.681 -12.107 1.00 1.22 H new ATOM 0 HD2 LYS A 83 -9.687 11.318 -12.616 1.00 73.51 H new ATOM 0 HD3 LYS A 83 -9.588 12.772 -13.589 1.00 73.51 H new ATOM 0 HE2 LYS A 83 -7.189 12.234 -14.103 1.00 30.22 H new ATOM 0 HE3 LYS A 83 -7.342 10.751 -13.182 1.00 30.22 H new ATOM 0 HZ1 LYS A 83 -7.641 10.354 -15.537 1.00 1.50 H new ATOM 0 HZ2 LYS A 83 -9.083 10.017 -14.705 1.00 1.50 H new ATOM 0 HZ3 LYS A 83 -8.933 11.454 -15.598 1.00 1.50 H new ATOM 1394 N ASP A 84 -7.387 10.089 -8.172 1.00 62.13 N ATOM 1395 CA ASP A 84 -6.444 9.331 -7.345 1.00 2.14 C ATOM 1396 C ASP A 84 -7.038 7.976 -6.912 1.00 62.44 C ATOM 1397 O ASP A 84 -6.369 7.174 -6.256 1.00 4.43 O ATOM 1398 CB ASP A 84 -6.032 10.153 -6.115 1.00 23.45 C ATOM 1399 CG ASP A 84 -5.504 11.534 -6.472 1.00 1.23 C ATOM 1400 OD1 ASP A 84 -4.903 11.695 -7.555 1.00 12.22 O ATOM 1401 OD2 ASP A 84 -5.712 12.477 -5.678 1.00 0.35 O ATOM 0 H ASP A 84 -7.923 10.793 -7.665 1.00 62.13 H new ATOM 0 HA ASP A 84 -5.558 9.129 -7.948 1.00 2.14 H new ATOM 0 HB2 ASP A 84 -6.890 10.259 -5.452 1.00 23.45 H new ATOM 0 HB3 ASP A 84 -5.266 9.609 -5.562 1.00 23.45 H new ATOM 1406 N ALA A 85 -8.294 7.716 -7.288 1.00 70.33 N ATOM 1407 CA ALA A 85 -8.921 6.419 -7.014 1.00 41.30 C ATOM 1408 C ALA A 85 -8.525 5.389 -8.078 1.00 40.41 C ATOM 1409 O ALA A 85 -8.335 5.727 -9.251 1.00 23.45 O ATOM 1410 CB ALA A 85 -10.440 6.561 -6.957 1.00 43.14 C ATOM 0 H ALA A 85 -8.893 8.380 -7.779 1.00 70.33 H new ATOM 0 HA ALA A 85 -8.566 6.068 -6.045 1.00 41.30 H new ATOM 0 HB1 ALA A 85 -10.889 5.589 -6.753 1.00 43.14 H new ATOM 0 HB2 ALA A 85 -10.711 7.259 -6.165 1.00 43.14 H new ATOM 0 HB3 ALA A 85 -10.806 6.936 -7.912 1.00 43.14 H new ATOM 1416 N GLY A 86 -8.361 4.140 -7.662 1.00 43.13 N ATOM 1417 CA GLY A 86 -8.013 3.085 -8.604 1.00 63.24 C ATOM 1418 C GLY A 86 -7.796 1.734 -7.938 1.00 24.12 C ATOM 1419 O GLY A 86 -8.035 1.572 -6.737 1.00 52.34 O ATOM 0 H GLY A 86 -8.461 3.836 -6.694 1.00 43.13 H new ATOM 0 HA2 GLY A 86 -8.806 2.994 -9.346 1.00 63.24 H new ATOM 0 HA3 GLY A 86 -7.107 3.369 -9.139 1.00 63.24 H new ATOM 1423 N TRP A 87 -7.334 0.762 -8.719 1.00 21.33 N ATOM 1424 CA TRP A 87 -6.872 -0.514 -8.175 1.00 22.44 C ATOM 1425 C TRP A 87 -5.367 -0.455 -7.868 1.00 74.51 C ATOM 1426 O TRP A 87 -4.540 -0.315 -8.769 1.00 2.20 O ATOM 1427 CB TRP A 87 -7.174 -1.670 -9.143 1.00 4.22 C ATOM 1428 CG TRP A 87 -8.538 -2.269 -8.956 1.00 31.11 C ATOM 1429 CD1 TRP A 87 -9.687 -1.944 -9.623 1.00 23.03 C ATOM 1430 CD2 TRP A 87 -8.892 -3.301 -8.026 1.00 73.34 C ATOM 1431 NE1 TRP A 87 -10.727 -2.715 -9.165 1.00 21.53 N ATOM 1432 CE2 TRP A 87 -10.265 -3.556 -8.188 1.00 72.43 C ATOM 1433 CE3 TRP A 87 -8.179 -4.036 -7.072 1.00 74.01 C ATOM 1434 CZ2 TRP A 87 -10.939 -4.511 -7.433 1.00 75.41 C ATOM 1435 CZ3 TRP A 87 -8.849 -4.986 -6.326 1.00 15.41 C ATOM 1436 CH2 TRP A 87 -10.218 -5.217 -6.511 1.00 72.55 C ATOM 0 H TRP A 87 -7.269 0.833 -9.734 1.00 21.33 H new ATOM 0 HA TRP A 87 -7.412 -0.699 -7.247 1.00 22.44 H new ATOM 0 HB2 TRP A 87 -7.082 -1.309 -10.167 1.00 4.22 H new ATOM 0 HB3 TRP A 87 -6.423 -2.449 -9.011 1.00 4.22 H new ATOM 0 HD1 TRP A 87 -9.765 -1.193 -10.395 1.00 23.03 H new ATOM 0 HE1 TRP A 87 -11.690 -2.669 -9.499 1.00 21.53 H new ATOM 0 HE3 TRP A 87 -7.124 -3.863 -6.922 1.00 74.01 H new ATOM 0 HZ2 TRP A 87 -11.995 -4.688 -7.571 1.00 75.41 H new ATOM 0 HZ3 TRP A 87 -8.308 -5.560 -5.588 1.00 15.41 H new ATOM 0 HH2 TRP A 87 -10.714 -5.968 -5.913 1.00 72.55 H new ATOM 1447 N TYR A 88 -5.029 -0.552 -6.588 1.00 14.11 N ATOM 1448 CA TYR A 88 -3.636 -0.534 -6.137 1.00 52.54 C ATOM 1449 C TYR A 88 -3.089 -1.958 -5.981 1.00 41.15 C ATOM 1450 O TYR A 88 -3.748 -2.834 -5.430 1.00 14.22 O ATOM 1451 CB TYR A 88 -3.523 0.221 -4.802 1.00 5.45 C ATOM 1452 CG TYR A 88 -3.691 1.725 -4.932 1.00 50.11 C ATOM 1453 CD1 TYR A 88 -4.941 2.295 -5.167 1.00 73.22 C ATOM 1454 CD2 TYR A 88 -2.594 2.574 -4.819 1.00 24.33 C ATOM 1455 CE1 TYR A 88 -5.089 3.665 -5.291 1.00 34.30 C ATOM 1456 CE2 TYR A 88 -2.736 3.943 -4.939 1.00 43.01 C ATOM 1457 CZ TYR A 88 -3.982 4.484 -5.174 1.00 25.53 C ATOM 1458 OH TYR A 88 -4.118 5.847 -5.302 1.00 31.40 O ATOM 0 H TYR A 88 -5.708 -0.645 -5.832 1.00 14.11 H new ATOM 0 HA TYR A 88 -3.041 -0.020 -6.892 1.00 52.54 H new ATOM 0 HB2 TYR A 88 -4.277 -0.161 -4.114 1.00 5.45 H new ATOM 0 HB3 TYR A 88 -2.550 0.011 -4.357 1.00 5.45 H new ATOM 0 HD1 TYR A 88 -5.808 1.657 -5.254 1.00 73.22 H new ATOM 0 HD2 TYR A 88 -1.616 2.156 -4.634 1.00 24.33 H new ATOM 0 HE1 TYR A 88 -6.063 4.092 -5.478 1.00 34.30 H new ATOM 0 HE2 TYR A 88 -1.874 4.587 -4.849 1.00 43.01 H new ATOM 0 HH TYR A 88 -5.017 6.057 -5.632 1.00 31.40 H new ATOM 1468 N THR A 89 -1.882 -2.181 -6.472 1.00 20.15 N ATOM 1469 CA THR A 89 -1.241 -3.497 -6.387 1.00 64.41 C ATOM 1470 C THR A 89 0.073 -3.411 -5.602 1.00 31.32 C ATOM 1471 O THR A 89 0.979 -2.662 -5.977 1.00 1.34 O ATOM 1472 CB THR A 89 -0.960 -4.073 -7.796 1.00 44.05 C ATOM 1473 OG1 THR A 89 -2.168 -4.070 -8.579 1.00 31.33 O ATOM 1474 CG2 THR A 89 -0.421 -5.494 -7.712 1.00 75.11 C ATOM 0 H THR A 89 -1.318 -1.469 -6.937 1.00 20.15 H new ATOM 0 HA THR A 89 -1.929 -4.162 -5.865 1.00 64.41 H new ATOM 0 HB THR A 89 -0.209 -3.442 -8.271 1.00 44.05 H new ATOM 0 HG1 THR A 89 -1.982 -4.434 -9.469 1.00 31.33 H new ATOM 0 HG21 THR A 89 -0.233 -5.872 -8.717 1.00 75.11 H new ATOM 0 HG22 THR A 89 0.509 -5.497 -7.143 1.00 75.11 H new ATOM 0 HG23 THR A 89 -1.152 -6.132 -7.215 1.00 75.11 H new ATOM 1482 N VAL A 90 0.168 -4.166 -4.512 1.00 14.23 N ATOM 1483 CA VAL A 90 1.363 -4.149 -3.661 1.00 24.54 C ATOM 1484 C VAL A 90 2.276 -5.356 -3.934 1.00 22.24 C ATOM 1485 O VAL A 90 1.833 -6.504 -3.926 1.00 14.44 O ATOM 1486 CB VAL A 90 0.986 -4.111 -2.154 1.00 31.50 C ATOM 1487 CG1 VAL A 90 0.084 -5.286 -1.777 1.00 11.11 C ATOM 1488 CG2 VAL A 90 2.243 -4.078 -1.281 1.00 43.32 C ATOM 0 H VAL A 90 -0.566 -4.799 -4.193 1.00 14.23 H new ATOM 0 HA VAL A 90 1.909 -3.239 -3.911 1.00 24.54 H new ATOM 0 HB VAL A 90 0.424 -3.195 -1.973 1.00 31.50 H new ATOM 0 HG11 VAL A 90 -0.162 -5.230 -0.716 1.00 11.11 H new ATOM 0 HG12 VAL A 90 -0.833 -5.244 -2.365 1.00 11.11 H new ATOM 0 HG13 VAL A 90 0.603 -6.223 -1.981 1.00 11.11 H new ATOM 0 HG21 VAL A 90 1.955 -4.052 -0.230 1.00 43.32 H new ATOM 0 HG22 VAL A 90 2.842 -4.969 -1.471 1.00 43.32 H new ATOM 0 HG23 VAL A 90 2.828 -3.190 -1.519 1.00 43.32 H new ATOM 1498 N SER A 91 3.553 -5.078 -4.191 1.00 33.04 N ATOM 1499 CA SER A 91 4.555 -6.131 -4.415 1.00 44.30 C ATOM 1500 C SER A 91 5.708 -6.014 -3.411 1.00 62.34 C ATOM 1501 O SER A 91 6.401 -4.995 -3.365 1.00 12.32 O ATOM 1502 CB SER A 91 5.120 -6.054 -5.843 1.00 4.01 C ATOM 1503 OG SER A 91 4.111 -6.276 -6.819 1.00 64.42 O ATOM 0 H SER A 91 3.924 -4.130 -4.250 1.00 33.04 H new ATOM 0 HA SER A 91 4.056 -7.090 -4.277 1.00 44.30 H new ATOM 0 HB2 SER A 91 5.573 -5.075 -6.003 1.00 4.01 H new ATOM 0 HB3 SER A 91 5.911 -6.794 -5.962 1.00 4.01 H new ATOM 0 HG SER A 91 3.861 -7.224 -6.821 1.00 64.42 H new ATOM 1509 N ALA A 92 5.906 -7.055 -2.605 1.00 45.32 N ATOM 1510 CA ALA A 92 7.017 -7.097 -1.649 1.00 3.15 C ATOM 1511 C ALA A 92 8.109 -8.067 -2.123 1.00 13.35 C ATOM 1512 O ALA A 92 7.887 -9.278 -2.195 1.00 72.21 O ATOM 1513 CB ALA A 92 6.508 -7.508 -0.272 1.00 52.21 C ATOM 0 H ALA A 92 5.312 -7.884 -2.593 1.00 45.32 H new ATOM 0 HA ALA A 92 7.452 -6.100 -1.583 1.00 3.15 H new ATOM 0 HB1 ALA A 92 7.341 -7.536 0.430 1.00 52.21 H new ATOM 0 HB2 ALA A 92 5.767 -6.786 0.072 1.00 52.21 H new ATOM 0 HB3 ALA A 92 6.051 -8.496 -0.333 1.00 52.21 H new ATOM 1519 N VAL A 93 9.290 -7.536 -2.436 1.00 40.51 N ATOM 1520 CA VAL A 93 10.389 -8.354 -2.961 1.00 12.52 C ATOM 1521 C VAL A 93 11.525 -8.543 -1.934 1.00 62.04 C ATOM 1522 O VAL A 93 12.227 -7.598 -1.567 1.00 3.33 O ATOM 1523 CB VAL A 93 10.955 -7.764 -4.283 1.00 65.23 C ATOM 1524 CG1 VAL A 93 11.411 -6.319 -4.096 1.00 20.25 C ATOM 1525 CG2 VAL A 93 12.089 -8.634 -4.827 1.00 65.44 C ATOM 0 H VAL A 93 9.513 -6.546 -2.336 1.00 40.51 H new ATOM 0 HA VAL A 93 9.965 -9.336 -3.170 1.00 12.52 H new ATOM 0 HB VAL A 93 10.150 -7.762 -5.018 1.00 65.23 H new ATOM 0 HG11 VAL A 93 11.801 -5.936 -5.039 1.00 20.25 H new ATOM 0 HG12 VAL A 93 10.565 -5.709 -3.779 1.00 20.25 H new ATOM 0 HG13 VAL A 93 12.192 -6.279 -3.337 1.00 20.25 H new ATOM 0 HG21 VAL A 93 12.468 -8.200 -5.752 1.00 65.44 H new ATOM 0 HG22 VAL A 93 12.893 -8.684 -4.093 1.00 65.44 H new ATOM 0 HG23 VAL A 93 11.715 -9.639 -5.024 1.00 65.44 H new ATOM 1535 N ASN A 94 11.667 -9.776 -1.457 1.00 40.24 N ATOM 1536 CA ASN A 94 12.759 -10.175 -0.560 1.00 60.20 C ATOM 1537 C ASN A 94 13.710 -11.124 -1.309 1.00 24.42 C ATOM 1538 O ASN A 94 13.289 -11.812 -2.243 1.00 53.42 O ATOM 1539 CB ASN A 94 12.158 -10.863 0.682 1.00 11.13 C ATOM 1540 CG ASN A 94 13.178 -11.255 1.747 1.00 75.15 C ATOM 1541 OD1 ASN A 94 14.326 -11.558 1.462 1.00 72.34 O ATOM 1542 ND2 ASN A 94 12.754 -11.269 2.991 1.00 2.11 N ATOM 0 H ASN A 94 11.025 -10.536 -1.681 1.00 40.24 H new ATOM 0 HA ASN A 94 13.327 -9.302 -0.238 1.00 60.20 H new ATOM 0 HB2 ASN A 94 11.422 -10.195 1.131 1.00 11.13 H new ATOM 0 HB3 ASN A 94 11.624 -11.758 0.363 1.00 11.13 H new ATOM 0 HD21 ASN A 94 13.389 -11.537 3.743 1.00 2.11 H new ATOM 0 HD22 ASN A 94 11.790 -11.012 3.204 1.00 2.11 H new ATOM 1549 N GLU A 95 14.983 -11.163 -0.915 1.00 32.24 N ATOM 1550 CA GLU A 95 15.945 -12.089 -1.528 1.00 62.23 C ATOM 1551 C GLU A 95 15.459 -13.549 -1.408 1.00 72.15 C ATOM 1552 O GLU A 95 15.738 -14.385 -2.270 1.00 32.12 O ATOM 1553 CB GLU A 95 17.339 -11.946 -0.892 1.00 21.41 C ATOM 1554 CG GLU A 95 17.382 -12.252 0.603 1.00 64.41 C ATOM 1555 CD GLU A 95 18.800 -12.268 1.157 1.00 61.15 C ATOM 1556 OE1 GLU A 95 19.445 -13.339 1.119 1.00 53.41 O ATOM 1557 OE2 GLU A 95 19.279 -11.215 1.627 1.00 51.40 O ATOM 0 H GLU A 95 15.373 -10.571 -0.181 1.00 32.24 H new ATOM 0 HA GLU A 95 16.019 -11.830 -2.584 1.00 62.23 H new ATOM 0 HB2 GLU A 95 18.031 -12.612 -1.407 1.00 21.41 H new ATOM 0 HB3 GLU A 95 17.696 -10.929 -1.053 1.00 21.41 H new ATOM 0 HG2 GLU A 95 16.795 -11.507 1.140 1.00 64.41 H new ATOM 0 HG3 GLU A 95 16.914 -13.219 0.786 1.00 64.41 H new ATOM 1564 N ALA A 96 14.730 -13.844 -0.329 1.00 21.13 N ATOM 1565 CA ALA A 96 14.143 -15.174 -0.115 1.00 63.33 C ATOM 1566 C ALA A 96 12.973 -15.456 -1.082 1.00 30.23 C ATOM 1567 O ALA A 96 12.698 -16.611 -1.427 1.00 63.42 O ATOM 1568 CB ALA A 96 13.680 -15.304 1.332 1.00 73.00 C ATOM 0 H ALA A 96 14.530 -13.177 0.416 1.00 21.13 H new ATOM 0 HA ALA A 96 14.914 -15.916 -0.321 1.00 63.33 H new ATOM 0 HB1 ALA A 96 13.245 -16.291 1.488 1.00 73.00 H new ATOM 0 HB2 ALA A 96 14.532 -15.173 2.000 1.00 73.00 H new ATOM 0 HB3 ALA A 96 12.932 -14.540 1.545 1.00 73.00 H new ATOM 1574 N GLY A 97 12.286 -14.398 -1.514 1.00 62.43 N ATOM 1575 CA GLY A 97 11.140 -14.551 -2.408 1.00 10.42 C ATOM 1576 C GLY A 97 10.324 -13.271 -2.572 1.00 1.40 C ATOM 1577 O GLY A 97 10.554 -12.285 -1.873 1.00 34.22 O ATOM 0 H GLY A 97 12.501 -13.434 -1.261 1.00 62.43 H new ATOM 0 HA2 GLY A 97 11.493 -14.876 -3.387 1.00 10.42 H new ATOM 0 HA3 GLY A 97 10.492 -15.339 -2.025 1.00 10.42 H new ATOM 1581 N VAL A 98 9.352 -13.292 -3.482 1.00 33.10 N ATOM 1582 CA VAL A 98 8.528 -12.107 -3.772 1.00 72.42 C ATOM 1583 C VAL A 98 7.026 -12.448 -3.760 1.00 11.00 C ATOM 1584 O VAL A 98 6.620 -13.541 -4.159 1.00 35.45 O ATOM 1585 CB VAL A 98 8.916 -11.478 -5.140 1.00 1.53 C ATOM 1586 CG1 VAL A 98 8.760 -12.488 -6.272 1.00 33.33 C ATOM 1587 CG2 VAL A 98 8.097 -10.214 -5.416 1.00 1.01 C ATOM 0 H VAL A 98 9.111 -14.115 -4.035 1.00 33.10 H new ATOM 0 HA VAL A 98 8.722 -11.380 -2.983 1.00 72.42 H new ATOM 0 HB VAL A 98 9.967 -11.192 -5.089 1.00 1.53 H new ATOM 0 HG11 VAL A 98 9.038 -12.021 -7.217 1.00 33.33 H new ATOM 0 HG12 VAL A 98 9.407 -13.345 -6.086 1.00 33.33 H new ATOM 0 HG13 VAL A 98 7.723 -12.820 -6.323 1.00 33.33 H new ATOM 0 HG21 VAL A 98 8.389 -9.795 -6.379 1.00 1.01 H new ATOM 0 HG22 VAL A 98 7.036 -10.465 -5.436 1.00 1.01 H new ATOM 0 HG23 VAL A 98 8.282 -9.482 -4.630 1.00 1.01 H new ATOM 1597 N THR A 99 6.203 -11.510 -3.295 1.00 54.42 N ATOM 1598 CA THR A 99 4.747 -11.722 -3.210 1.00 53.24 C ATOM 1599 C THR A 99 3.964 -10.463 -3.610 1.00 64.33 C ATOM 1600 O THR A 99 4.388 -9.338 -3.336 1.00 10.13 O ATOM 1601 CB THR A 99 4.310 -12.160 -1.793 1.00 4.21 C ATOM 1602 OG1 THR A 99 2.900 -12.431 -1.772 1.00 73.14 O ATOM 1603 CG2 THR A 99 4.641 -11.091 -0.758 1.00 63.22 C ATOM 0 H THR A 99 6.513 -10.594 -2.970 1.00 54.42 H new ATOM 0 HA THR A 99 4.517 -12.522 -3.914 1.00 53.24 H new ATOM 0 HB THR A 99 4.859 -13.067 -1.539 1.00 4.21 H new ATOM 0 HG1 THR A 99 2.478 -11.912 -1.056 1.00 73.14 H new ATOM 0 HG21 THR A 99 4.322 -11.428 0.228 1.00 63.22 H new ATOM 0 HG22 THR A 99 5.716 -10.913 -0.750 1.00 63.22 H new ATOM 0 HG23 THR A 99 4.122 -10.167 -1.011 1.00 63.22 H new ATOM 1611 N THR A 100 2.824 -10.662 -4.271 1.00 31.15 N ATOM 1612 CA THR A 100 2.005 -9.550 -4.781 1.00 13.41 C ATOM 1613 C THR A 100 0.519 -9.724 -4.420 1.00 21.13 C ATOM 1614 O THR A 100 -0.032 -10.823 -4.527 1.00 75.23 O ATOM 1615 CB THR A 100 2.146 -9.420 -6.323 1.00 13.24 C ATOM 1616 OG1 THR A 100 3.504 -9.109 -6.675 1.00 63.32 O ATOM 1617 CG2 THR A 100 1.227 -8.342 -6.886 1.00 3.34 C ATOM 0 H THR A 100 2.441 -11.586 -4.469 1.00 31.15 H new ATOM 0 HA THR A 100 2.374 -8.642 -4.305 1.00 13.41 H new ATOM 0 HB THR A 100 1.859 -10.379 -6.755 1.00 13.24 H new ATOM 0 HG1 THR A 100 3.580 -9.031 -7.649 1.00 63.32 H new ATOM 0 HG21 THR A 100 1.356 -8.282 -7.967 1.00 3.34 H new ATOM 0 HG22 THR A 100 0.191 -8.591 -6.657 1.00 3.34 H new ATOM 0 HG23 THR A 100 1.477 -7.380 -6.437 1.00 3.34 H new ATOM 1625 N CYS A 101 -0.127 -8.634 -3.993 1.00 30.14 N ATOM 1626 CA CYS A 101 -1.560 -8.658 -3.643 1.00 1.42 C ATOM 1627 C CYS A 101 -2.300 -7.437 -4.213 1.00 61.23 C ATOM 1628 O CYS A 101 -1.678 -6.492 -4.709 1.00 40.42 O ATOM 1629 CB CYS A 101 -1.743 -8.713 -2.119 1.00 34.21 C ATOM 1630 SG CYS A 101 -3.467 -8.866 -1.580 1.00 60.23 S ATOM 0 H CYS A 101 0.315 -7.722 -3.880 1.00 30.14 H new ATOM 0 HA CYS A 101 -1.990 -9.555 -4.088 1.00 1.42 H new ATOM 0 HB2 CYS A 101 -1.176 -9.557 -1.727 1.00 34.21 H new ATOM 0 HB3 CYS A 101 -1.316 -7.811 -1.681 1.00 34.21 H new ATOM 0 HG CYS A 101 -3.502 -9.118 -0.305 1.00 60.23 H new ATOM 1636 N ASN A 102 -3.632 -7.455 -4.132 1.00 4.11 N ATOM 1637 CA ASN A 102 -4.463 -6.388 -4.711 1.00 35.12 C ATOM 1638 C ASN A 102 -5.204 -5.570 -3.636 1.00 60.21 C ATOM 1639 O ASN A 102 -5.576 -6.083 -2.579 1.00 63.22 O ATOM 1640 CB ASN A 102 -5.482 -6.983 -5.692 1.00 55.35 C ATOM 1641 CG ASN A 102 -4.837 -7.712 -6.862 1.00 3.44 C ATOM 1642 OD1 ASN A 102 -5.397 -8.658 -7.398 1.00 1.32 O ATOM 1643 ND2 ASN A 102 -3.659 -7.281 -7.274 1.00 72.23 N ATOM 0 H ASN A 102 -4.162 -8.195 -3.672 1.00 4.11 H new ATOM 0 HA ASN A 102 -3.789 -5.712 -5.236 1.00 35.12 H new ATOM 0 HB2 ASN A 102 -6.131 -7.675 -5.155 1.00 55.35 H new ATOM 0 HB3 ASN A 102 -6.116 -6.184 -6.076 1.00 55.35 H new ATOM 0 HD21 ASN A 102 -3.194 -7.739 -8.057 1.00 72.23 H new ATOM 0 HD22 ASN A 102 -3.214 -6.490 -6.809 1.00 72.23 H new ATOM 1650 N THR A 103 -5.407 -4.289 -3.931 1.00 5.41 N ATOM 1651 CA THR A 103 -6.132 -3.363 -3.048 1.00 13.23 C ATOM 1652 C THR A 103 -6.954 -2.371 -3.885 1.00 52.20 C ATOM 1653 O THR A 103 -6.556 -2.017 -4.991 1.00 71.33 O ATOM 1654 CB THR A 103 -5.156 -2.569 -2.142 1.00 65.25 C ATOM 1655 OG1 THR A 103 -4.281 -3.473 -1.453 1.00 34.32 O ATOM 1656 CG2 THR A 103 -5.909 -1.720 -1.121 1.00 70.31 C ATOM 0 H THR A 103 -5.074 -3.856 -4.792 1.00 5.41 H new ATOM 0 HA THR A 103 -6.793 -3.957 -2.417 1.00 13.23 H new ATOM 0 HB THR A 103 -4.575 -1.905 -2.782 1.00 65.25 H new ATOM 0 HG1 THR A 103 -3.568 -2.966 -1.011 1.00 34.32 H new ATOM 0 HG21 THR A 103 -5.195 -1.177 -0.502 1.00 70.31 H new ATOM 0 HG22 THR A 103 -6.552 -1.010 -1.641 1.00 70.31 H new ATOM 0 HG23 THR A 103 -6.519 -2.366 -0.489 1.00 70.31 H new ATOM 1664 N ARG A 104 -8.100 -1.924 -3.379 1.00 14.34 N ATOM 1665 CA ARG A 104 -8.930 -0.963 -4.122 1.00 12.54 C ATOM 1666 C ARG A 104 -9.206 0.311 -3.310 1.00 24.32 C ATOM 1667 O ARG A 104 -9.453 0.256 -2.107 1.00 51.11 O ATOM 1668 CB ARG A 104 -10.258 -1.608 -4.548 1.00 30.21 C ATOM 1669 CG ARG A 104 -11.127 -0.685 -5.402 1.00 21.30 C ATOM 1670 CD ARG A 104 -12.427 -1.346 -5.848 1.00 65.43 C ATOM 1671 NE ARG A 104 -13.215 -0.453 -6.694 1.00 22.43 N ATOM 1672 CZ ARG A 104 -14.408 -0.720 -7.147 1.00 11.41 C ATOM 1673 NH1 ARG A 104 -14.985 -1.847 -6.871 1.00 51.14 N ATOM 1674 NH2 ARG A 104 -15.029 0.148 -7.880 1.00 23.42 N ATOM 0 H ARG A 104 -8.476 -2.202 -2.473 1.00 14.34 H new ATOM 0 HA ARG A 104 -8.367 -0.677 -5.010 1.00 12.54 H new ATOM 0 HB2 ARG A 104 -10.049 -2.520 -5.107 1.00 30.21 H new ATOM 0 HB3 ARG A 104 -10.815 -1.900 -3.658 1.00 30.21 H new ATOM 0 HG2 ARG A 104 -11.359 0.216 -4.835 1.00 21.30 H new ATOM 0 HG3 ARG A 104 -10.563 -0.372 -6.281 1.00 21.30 H new ATOM 0 HD2 ARG A 104 -12.203 -2.263 -6.393 1.00 65.43 H new ATOM 0 HD3 ARG A 104 -13.011 -1.631 -4.973 1.00 65.43 H new ATOM 0 HE ARG A 104 -12.802 0.444 -6.949 1.00 22.43 H new ATOM 0 HH11 ARG A 104 -14.506 -2.537 -6.293 1.00 51.14 H new ATOM 0 HH12 ARG A 104 -15.919 -2.044 -7.232 1.00 51.14 H new ATOM 0 HH21 ARG A 104 -14.585 1.039 -8.102 1.00 23.42 H new ATOM 0 HH22 ARG A 104 -15.962 -0.059 -8.235 1.00 23.42 H new ATOM 1688 N LEU A 105 -9.160 1.461 -3.983 1.00 41.53 N ATOM 1689 CA LEU A 105 -9.509 2.743 -3.361 1.00 43.33 C ATOM 1690 C LEU A 105 -10.587 3.463 -4.180 1.00 42.33 C ATOM 1691 O LEU A 105 -10.414 3.695 -5.379 1.00 2.42 O ATOM 1692 CB LEU A 105 -8.268 3.640 -3.236 1.00 2.21 C ATOM 1693 CG LEU A 105 -8.519 5.030 -2.625 1.00 4.34 C ATOM 1694 CD1 LEU A 105 -9.009 4.910 -1.183 1.00 71.43 C ATOM 1695 CD2 LEU A 105 -7.259 5.890 -2.702 1.00 33.12 C ATOM 0 H LEU A 105 -8.884 1.533 -4.962 1.00 41.53 H new ATOM 0 HA LEU A 105 -9.899 2.539 -2.364 1.00 43.33 H new ATOM 0 HB2 LEU A 105 -7.526 3.123 -2.628 1.00 2.21 H new ATOM 0 HB3 LEU A 105 -7.833 3.770 -4.227 1.00 2.21 H new ATOM 0 HG LEU A 105 -9.300 5.520 -3.206 1.00 4.34 H new ATOM 0 HD11 LEU A 105 -9.179 5.905 -0.773 1.00 71.43 H new ATOM 0 HD12 LEU A 105 -9.940 4.344 -1.161 1.00 71.43 H new ATOM 0 HD13 LEU A 105 -8.257 4.395 -0.585 1.00 71.43 H new ATOM 0 HD21 LEU A 105 -7.459 6.868 -2.265 1.00 33.12 H new ATOM 0 HD22 LEU A 105 -6.453 5.404 -2.152 1.00 33.12 H new ATOM 0 HD23 LEU A 105 -6.965 6.012 -3.744 1.00 33.12 H new ATOM 1707 N ASP A 106 -11.701 3.800 -3.538 1.00 62.22 N ATOM 1708 CA ASP A 106 -12.783 4.541 -4.195 1.00 35.43 C ATOM 1709 C ASP A 106 -12.891 5.971 -3.653 1.00 55.14 C ATOM 1710 O ASP A 106 -12.583 6.237 -2.490 1.00 53.42 O ATOM 1711 CB ASP A 106 -14.117 3.817 -4.005 1.00 71.22 C ATOM 1712 CG ASP A 106 -14.171 2.498 -4.749 1.00 51.43 C ATOM 1713 OD1 ASP A 106 -14.339 2.521 -5.989 1.00 53.15 O ATOM 1714 OD2 ASP A 106 -14.050 1.438 -4.104 1.00 4.55 O ATOM 0 H ASP A 106 -11.883 3.573 -2.560 1.00 62.22 H new ATOM 0 HA ASP A 106 -12.548 4.594 -5.258 1.00 35.43 H new ATOM 0 HB2 ASP A 106 -14.282 3.638 -2.942 1.00 71.22 H new ATOM 0 HB3 ASP A 106 -14.928 4.459 -4.350 1.00 71.22 H new ATOM 1719 N VAL A 107 -13.334 6.893 -4.504 1.00 24.53 N ATOM 1720 CA VAL A 107 -13.525 8.288 -4.097 1.00 71.52 C ATOM 1721 C VAL A 107 -14.886 8.828 -4.569 1.00 74.42 C ATOM 1722 O VAL A 107 -15.388 8.459 -5.631 1.00 31.01 O ATOM 1723 CB VAL A 107 -12.390 9.203 -4.637 1.00 60.35 C ATOM 1724 CG1 VAL A 107 -12.627 10.664 -4.247 1.00 41.13 C ATOM 1725 CG2 VAL A 107 -11.024 8.732 -4.137 1.00 54.24 C ATOM 0 H VAL A 107 -13.568 6.703 -5.478 1.00 24.53 H new ATOM 0 HA VAL A 107 -13.497 8.302 -3.007 1.00 71.52 H new ATOM 0 HB VAL A 107 -12.400 9.135 -5.725 1.00 60.35 H new ATOM 0 HG11 VAL A 107 -11.818 11.281 -4.638 1.00 41.13 H new ATOM 0 HG12 VAL A 107 -13.575 11.003 -4.664 1.00 41.13 H new ATOM 0 HG13 VAL A 107 -12.657 10.750 -3.161 1.00 41.13 H new ATOM 0 HG21 VAL A 107 -10.247 9.388 -4.529 1.00 54.24 H new ATOM 0 HG22 VAL A 107 -11.006 8.759 -3.047 1.00 54.24 H new ATOM 0 HG23 VAL A 107 -10.843 7.713 -4.478 1.00 54.24 H new ATOM 1735 N THR A 108 -15.474 9.700 -3.761 1.00 3.34 N ATOM 1736 CA THR A 108 -16.753 10.343 -4.077 1.00 50.20 C ATOM 1737 C THR A 108 -16.586 11.870 -4.077 1.00 70.23 C ATOM 1738 O THR A 108 -15.780 12.415 -3.319 1.00 54.33 O ATOM 1739 CB THR A 108 -17.846 9.942 -3.053 1.00 4.31 C ATOM 1740 OG1 THR A 108 -17.980 8.508 -3.004 1.00 72.04 O ATOM 1741 CG2 THR A 108 -19.199 10.563 -3.393 1.00 71.24 C ATOM 0 H THR A 108 -15.080 9.986 -2.864 1.00 3.34 H new ATOM 0 HA THR A 108 -17.065 10.008 -5.066 1.00 50.20 H new ATOM 0 HB THR A 108 -17.532 10.320 -2.080 1.00 4.31 H new ATOM 0 HG1 THR A 108 -18.672 8.266 -2.353 1.00 72.04 H new ATOM 0 HG21 THR A 108 -19.937 10.257 -2.651 1.00 71.24 H new ATOM 0 HG22 THR A 108 -19.111 11.649 -3.391 1.00 71.24 H new ATOM 0 HG23 THR A 108 -19.516 10.226 -4.380 1.00 71.24 H new ATOM 1749 N ALA A 109 -17.345 12.563 -4.917 1.00 43.30 N ATOM 1750 CA ALA A 109 -17.213 14.015 -5.049 1.00 50.13 C ATOM 1751 C ALA A 109 -17.818 14.745 -3.841 1.00 23.22 C ATOM 1752 O ALA A 109 -19.000 14.585 -3.528 1.00 74.32 O ATOM 1753 CB ALA A 109 -17.871 14.486 -6.342 1.00 14.11 C ATOM 0 H ALA A 109 -18.058 12.148 -5.517 1.00 43.30 H new ATOM 0 HA ALA A 109 -16.151 14.256 -5.083 1.00 50.13 H new ATOM 0 HB1 ALA A 109 -17.767 15.567 -6.430 1.00 14.11 H new ATOM 0 HB2 ALA A 109 -17.388 14.004 -7.192 1.00 14.11 H new ATOM 0 HB3 ALA A 109 -18.929 14.223 -6.329 1.00 14.11 H new ATOM 1759 N ARG A 110 -16.992 15.534 -3.157 1.00 5.32 N ATOM 1760 CA ARG A 110 -17.450 16.310 -2.002 1.00 62.12 C ATOM 1761 C ARG A 110 -18.361 17.472 -2.459 1.00 52.34 C ATOM 1762 O ARG A 110 -17.964 18.296 -3.282 1.00 2.12 O ATOM 1763 CB ARG A 110 -16.245 16.847 -1.216 1.00 71.23 C ATOM 1764 CG ARG A 110 -16.624 17.662 0.017 1.00 31.42 C ATOM 1765 CD ARG A 110 -15.410 18.275 0.716 1.00 13.42 C ATOM 1766 NE ARG A 110 -14.653 17.299 1.505 1.00 35.13 N ATOM 1767 CZ ARG A 110 -14.246 17.509 2.734 1.00 64.11 C ATOM 1768 NH1 ARG A 110 -14.479 18.636 3.327 1.00 43.15 N ATOM 1769 NH2 ARG A 110 -13.603 16.593 3.371 1.00 73.03 N ATOM 0 H ARG A 110 -16.004 15.654 -3.380 1.00 5.32 H new ATOM 0 HA ARG A 110 -18.030 15.658 -1.349 1.00 62.12 H new ATOM 0 HB2 ARG A 110 -15.622 16.008 -0.907 1.00 71.23 H new ATOM 0 HB3 ARG A 110 -15.640 17.467 -1.877 1.00 71.23 H new ATOM 0 HG2 ARG A 110 -17.310 18.457 -0.275 1.00 31.42 H new ATOM 0 HG3 ARG A 110 -17.158 17.023 0.720 1.00 31.42 H new ATOM 0 HD2 ARG A 110 -14.752 18.719 -0.031 1.00 13.42 H new ATOM 0 HD3 ARG A 110 -15.742 19.083 1.368 1.00 13.42 H new ATOM 0 HE ARG A 110 -14.429 16.403 1.072 1.00 35.13 H new ATOM 0 HH11 ARG A 110 -14.985 19.374 2.838 1.00 43.15 H new ATOM 0 HH12 ARG A 110 -14.157 18.785 4.283 1.00 43.15 H new ATOM 0 HH21 ARG A 110 -13.408 15.699 2.920 1.00 73.03 H new ATOM 0 HH22 ARG A 110 -13.289 16.761 4.327 1.00 73.03 H new ATOM 1783 N PRO A 111 -19.586 17.565 -1.903 1.00 22.11 N ATOM 1784 CA PRO A 111 -20.617 18.503 -2.387 1.00 41.43 C ATOM 1785 C PRO A 111 -20.409 19.951 -1.909 1.00 51.02 C ATOM 1786 O PRO A 111 -21.196 20.844 -2.232 1.00 1.51 O ATOM 1787 CB PRO A 111 -21.909 17.913 -1.806 1.00 31.51 C ATOM 1788 CG PRO A 111 -21.485 17.226 -0.545 1.00 2.41 C ATOM 1789 CD PRO A 111 -20.055 16.776 -0.749 1.00 53.25 C ATOM 0 HA PRO A 111 -20.608 18.588 -3.474 1.00 41.43 H new ATOM 0 HB2 PRO A 111 -22.643 18.693 -1.604 1.00 31.51 H new ATOM 0 HB3 PRO A 111 -22.371 17.212 -2.501 1.00 31.51 H new ATOM 0 HG2 PRO A 111 -21.559 17.902 0.307 1.00 2.41 H new ATOM 0 HG3 PRO A 111 -22.131 16.374 -0.333 1.00 2.41 H new ATOM 0 HD2 PRO A 111 -19.448 16.966 0.136 1.00 53.25 H new ATOM 0 HD3 PRO A 111 -19.999 15.706 -0.950 1.00 53.25 H new ATOM 1797 N ASN A 112 -19.348 20.174 -1.142 1.00 61.22 N ATOM 1798 CA ASN A 112 -19.018 21.505 -0.621 1.00 23.52 C ATOM 1799 C ASN A 112 -17.497 21.727 -0.597 1.00 3.13 C ATOM 1800 O ASN A 112 -16.717 20.809 -0.862 1.00 52.11 O ATOM 1801 CB ASN A 112 -19.591 21.680 0.792 1.00 32.21 C ATOM 1802 CG ASN A 112 -19.119 20.591 1.742 1.00 44.10 C ATOM 1803 OD1 ASN A 112 -18.025 20.661 2.285 1.00 14.23 O ATOM 1804 ND2 ASN A 112 -19.947 19.592 1.967 1.00 72.42 N ATOM 0 H ASN A 112 -18.692 19.445 -0.862 1.00 61.22 H new ATOM 0 HA ASN A 112 -19.464 22.246 -1.284 1.00 23.52 H new ATOM 0 HB2 ASN A 112 -19.297 22.654 1.183 1.00 32.21 H new ATOM 0 HB3 ASN A 112 -20.680 21.671 0.744 1.00 32.21 H new ATOM 0 HD21 ASN A 112 -19.683 18.846 2.611 1.00 72.42 H new ATOM 0 HD22 ASN A 112 -20.852 19.564 1.498 1.00 72.42 H new ATOM 1811 N GLN A 113 -17.080 22.952 -0.280 1.00 1.30 N ATOM 1812 CA GLN A 113 -15.654 23.287 -0.177 1.00 52.32 C ATOM 1813 C GLN A 113 -15.378 24.239 0.997 1.00 23.13 C ATOM 1814 O GLN A 113 -15.983 25.305 1.102 1.00 3.35 O ATOM 1815 CB GLN A 113 -15.146 23.932 -1.480 1.00 64.54 C ATOM 1816 CG GLN A 113 -15.087 22.983 -2.674 1.00 3.43 C ATOM 1817 CD GLN A 113 -14.505 23.636 -3.919 1.00 23.23 C ATOM 1818 OE1 GLN A 113 -14.647 24.835 -4.133 1.00 63.40 O ATOM 1819 NE2 GLN A 113 -13.846 22.853 -4.749 1.00 61.25 N ATOM 0 H GLN A 113 -17.708 23.733 -0.089 1.00 1.30 H new ATOM 0 HA GLN A 113 -15.121 22.352 -0.002 1.00 52.32 H new ATOM 0 HB2 GLN A 113 -15.793 24.772 -1.731 1.00 64.54 H new ATOM 0 HB3 GLN A 113 -14.150 24.338 -1.305 1.00 64.54 H new ATOM 0 HG2 GLN A 113 -14.486 22.113 -2.411 1.00 3.43 H new ATOM 0 HG3 GLN A 113 -16.091 22.622 -2.895 1.00 3.43 H new ATOM 0 HE21 GLN A 113 -13.746 21.859 -4.542 1.00 61.25 H new ATOM 0 HE22 GLN A 113 -13.436 23.241 -5.599 1.00 61.25 H new ATOM 1828 N THR A 114 -14.473 23.836 1.889 1.00 53.23 N ATOM 1829 CA THR A 114 -13.969 24.731 2.943 1.00 31.30 C ATOM 1830 C THR A 114 -13.042 25.806 2.349 1.00 60.00 C ATOM 1831 O THR A 114 -12.776 26.839 2.968 1.00 13.11 O ATOM 1832 CB THR A 114 -13.205 23.946 4.041 1.00 2.31 C ATOM 1833 OG1 THR A 114 -12.768 24.839 5.079 1.00 63.42 O ATOM 1834 CG2 THR A 114 -12.003 23.201 3.460 1.00 14.41 C ATOM 0 H THR A 114 -14.072 22.898 1.907 1.00 53.23 H new ATOM 0 HA THR A 114 -14.836 25.210 3.397 1.00 31.30 H new ATOM 0 HB THR A 114 -13.891 23.211 4.461 1.00 2.31 H new ATOM 0 HG1 THR A 114 -12.289 24.332 5.767 1.00 63.42 H new ATOM 0 HG21 THR A 114 -11.490 22.661 4.256 1.00 14.41 H new ATOM 0 HG22 THR A 114 -12.344 22.494 2.704 1.00 14.41 H new ATOM 0 HG23 THR A 114 -11.317 23.916 3.005 1.00 14.41 H new ATOM 1842 N LEU A 115 -12.555 25.546 1.138 1.00 73.21 N ATOM 1843 CA LEU A 115 -11.686 26.483 0.417 1.00 4.10 C ATOM 1844 C LEU A 115 -12.516 27.466 -0.435 1.00 51.23 C ATOM 1845 O LEU A 115 -13.663 27.172 -0.779 1.00 55.20 O ATOM 1846 CB LEU A 115 -10.716 25.693 -0.480 1.00 5.44 C ATOM 1847 CG LEU A 115 -9.791 24.705 0.256 1.00 14.43 C ATOM 1848 CD1 LEU A 115 -8.931 23.923 -0.737 1.00 2.43 C ATOM 1849 CD2 LEU A 115 -8.916 25.439 1.273 1.00 30.15 C ATOM 0 H LEU A 115 -12.748 24.684 0.627 1.00 73.21 H new ATOM 0 HA LEU A 115 -11.121 27.065 1.145 1.00 4.10 H new ATOM 0 HB2 LEU A 115 -11.298 25.139 -1.216 1.00 5.44 H new ATOM 0 HB3 LEU A 115 -10.098 26.402 -1.030 1.00 5.44 H new ATOM 0 HG LEU A 115 -10.415 23.993 0.796 1.00 14.43 H new ATOM 0 HD11 LEU A 115 -8.286 23.232 -0.194 1.00 2.43 H new ATOM 0 HD12 LEU A 115 -9.576 23.362 -1.414 1.00 2.43 H new ATOM 0 HD13 LEU A 115 -8.317 24.617 -1.312 1.00 2.43 H new ATOM 0 HD21 LEU A 115 -8.270 24.723 1.782 1.00 30.15 H new ATOM 0 HD22 LEU A 115 -8.303 26.179 0.759 1.00 30.15 H new ATOM 0 HD23 LEU A 115 -9.550 25.939 2.005 1.00 30.15 H new ATOM 1861 N PRO A 116 -11.945 28.643 -0.787 1.00 51.20 N ATOM 1862 CA PRO A 116 -12.639 29.669 -1.601 1.00 65.21 C ATOM 1863 C PRO A 116 -13.174 29.129 -2.947 1.00 0.02 C ATOM 1864 O PRO A 116 -12.378 28.569 -3.732 1.00 36.98 O ATOM 1865 CB PRO A 116 -11.555 30.744 -1.834 1.00 62.54 C ATOM 1866 CG PRO A 116 -10.259 30.081 -1.493 1.00 54.14 C ATOM 1867 CD PRO A 116 -10.585 29.080 -0.420 1.00 34.51 C ATOM 1868 OXT PRO A 116 -14.387 29.296 -3.222 1.00 36.98 O ATOM 0 HA PRO A 116 -13.528 30.042 -1.092 1.00 65.21 H new ATOM 0 HB2 PRO A 116 -11.560 31.089 -2.868 1.00 62.54 H new ATOM 0 HB3 PRO A 116 -11.727 31.618 -1.205 1.00 62.54 H new ATOM 0 HG2 PRO A 116 -9.827 29.592 -2.366 1.00 54.14 H new ATOM 0 HG3 PRO A 116 -9.528 30.808 -1.141 1.00 54.14 H new ATOM 0 HD2 PRO A 116 -9.880 28.249 -0.414 1.00 34.51 H new ATOM 0 HD3 PRO A 116 -10.558 29.528 0.573 1.00 34.51 H new TER 1876 PRO A 116