USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 ASN : amide:sc= 0 X(o=0,f=0.5) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.806 USER MOD Set 2.2: A 100 THR OG1 : rot -99:sc= 0.914 USER MOD Set 3.1: A 66 TYR OH : rot 0:sc= 0.91 USER MOD Set 3.2: A 74 THR OG1 : rot -140:sc= 0.0739 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 136:sc= 0.731 (180deg=-0.0576) USER MOD Set 4.2: A 108 THR OG1 : rot -110:sc= 0.961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=-0.019) USER MOD Single : A 4 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 5 HIS : no HE2:sc= -1.85 X(o=-1.9,f=-2.2!) USER MOD Single : A 6 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.655 K(o=-0.65,f=-2.4) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.08) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -170:sc= -0.698 USER MOD Single : A 38 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : A 55 MET CE :methyl -148:sc= -0.95 (180deg=-3.21!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.92! C(o=-1.9!,f=-4.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 70 THR OG1 : rot -74:sc= 0.942 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc=-0.00558 (180deg=-0.134) USER MOD Single : A 81 ASN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= -0.237 (180deg=-0.937) USER MOD Single : A 83 LYS NZ :NH3+ -174:sc=-0.00763 (180deg=-0.109) USER MOD Single : A 88 TYR OH : rot -48:sc= 0.302 USER MOD Single : A 94 ASN : amide:sc= -2.72! C(o=-2.7!,f=-7.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot -71:sc= -0.57 USER MOD Single : A 103 THR OG1 : rot -54:sc= -1.92! USER MOD Single : A 112 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.5) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.398 -37.387 9.398 1.00 22.12 N ATOM 2 CA MET A 1 26.768 -38.634 9.909 1.00 14.14 C ATOM 3 C MET A 1 25.476 -38.322 10.680 1.00 41.53 C ATOM 4 O MET A 1 25.420 -37.364 11.450 1.00 43.50 O ATOM 5 CB MET A 1 27.756 -39.384 10.818 1.00 75.52 C ATOM 6 CG MET A 1 27.255 -40.736 11.310 1.00 12.13 C ATOM 7 SD MET A 1 28.467 -41.588 12.339 1.00 40.32 S ATOM 8 CE MET A 1 27.581 -43.095 12.718 1.00 51.12 C ATOM 0 H1 MET A 1 28.269 -37.625 8.881 1.00 22.12 H new ATOM 0 H2 MET A 1 26.737 -36.901 8.758 1.00 22.12 H new ATOM 0 H3 MET A 1 27.629 -36.762 10.197 1.00 22.12 H new ATOM 0 HA MET A 1 26.512 -39.264 9.057 1.00 14.14 H new ATOM 0 HB2 MET A 1 28.690 -39.531 10.276 1.00 75.52 H new ATOM 0 HB3 MET A 1 27.984 -38.758 11.681 1.00 75.52 H new ATOM 0 HG2 MET A 1 26.336 -40.594 11.878 1.00 12.13 H new ATOM 0 HG3 MET A 1 27.007 -41.362 10.453 1.00 12.13 H new ATOM 0 HE1 MET A 1 28.200 -43.732 13.350 1.00 51.12 H new ATOM 0 HE2 MET A 1 26.657 -42.852 13.242 1.00 51.12 H new ATOM 0 HE3 MET A 1 27.346 -43.621 11.793 1.00 51.12 H new ATOM 20 N GLY A 2 24.438 -39.131 10.468 1.00 74.03 N ATOM 21 CA GLY A 2 23.177 -38.943 11.180 1.00 23.42 C ATOM 22 C GLY A 2 22.080 -38.323 10.319 1.00 44.24 C ATOM 23 O GLY A 2 22.349 -37.497 9.444 1.00 60.13 O ATOM 0 H GLY A 2 24.446 -39.915 9.815 1.00 74.03 H new ATOM 0 HA2 GLY A 2 22.833 -39.907 11.555 1.00 23.42 H new ATOM 0 HA3 GLY A 2 23.350 -38.307 12.048 1.00 23.42 H new ATOM 27 N HIS A 3 20.832 -38.703 10.593 1.00 63.22 N ATOM 28 CA HIS A 3 19.676 -38.238 9.811 1.00 75.55 C ATOM 29 C HIS A 3 19.493 -36.708 9.870 1.00 53.34 C ATOM 30 O HIS A 3 18.748 -36.134 9.076 1.00 11.23 O ATOM 31 CB HIS A 3 18.394 -38.937 10.290 1.00 74.13 C ATOM 32 CG HIS A 3 18.074 -38.708 11.740 1.00 14.45 C ATOM 33 ND1 HIS A 3 18.270 -39.660 12.717 1.00 74.02 N ATOM 34 CD2 HIS A 3 17.546 -37.634 12.374 1.00 13.54 C ATOM 35 CE1 HIS A 3 17.879 -39.183 13.880 1.00 1.10 C ATOM 36 NE2 HIS A 3 17.437 -37.958 13.703 1.00 31.32 N ATOM 0 H HIS A 3 20.590 -39.336 11.355 1.00 63.22 H new ATOM 0 HA HIS A 3 19.873 -38.499 8.771 1.00 75.55 H new ATOM 0 HB2 HIS A 3 17.556 -38.590 9.685 1.00 74.13 H new ATOM 0 HB3 HIS A 3 18.491 -40.009 10.115 1.00 74.13 H new ATOM 0 HD2 HIS A 3 17.263 -36.697 11.918 1.00 13.54 H new ATOM 0 HE1 HIS A 3 17.915 -39.710 14.822 1.00 1.10 H new ATOM 0 HE2 HIS A 3 17.072 -37.348 14.434 1.00 31.32 H new ATOM 45 N HIS A 4 20.182 -36.049 10.799 1.00 30.42 N ATOM 46 CA HIS A 4 20.064 -34.593 10.962 1.00 33.25 C ATOM 47 C HIS A 4 20.700 -33.820 9.781 1.00 14.51 C ATOM 48 O HIS A 4 20.742 -32.589 9.790 1.00 63.35 O ATOM 49 CB HIS A 4 20.702 -34.165 12.292 1.00 35.01 C ATOM 50 CG HIS A 4 20.408 -32.744 12.679 1.00 34.42 C ATOM 51 ND1 HIS A 4 19.163 -32.317 13.090 1.00 45.33 N ATOM 52 CD2 HIS A 4 21.204 -31.647 12.712 1.00 14.20 C ATOM 53 CE1 HIS A 4 19.204 -31.028 13.355 1.00 72.22 C ATOM 54 NE2 HIS A 4 20.428 -30.599 13.135 1.00 20.21 N ATOM 0 H HIS A 4 20.828 -36.494 11.451 1.00 30.42 H new ATOM 0 HA HIS A 4 19.003 -34.344 10.971 1.00 33.25 H new ATOM 0 HB2 HIS A 4 20.349 -34.827 13.083 1.00 35.01 H new ATOM 0 HB3 HIS A 4 21.782 -34.297 12.225 1.00 35.01 H new ATOM 0 HD2 HIS A 4 22.252 -31.606 12.454 1.00 14.20 H new ATOM 0 HE1 HIS A 4 18.374 -30.426 13.695 1.00 72.22 H new ATOM 0 HE2 HIS A 4 20.749 -29.639 13.259 1.00 20.21 H new ATOM 63 N HIS A 5 21.196 -34.546 8.773 1.00 72.20 N ATOM 64 CA HIS A 5 21.753 -33.924 7.561 1.00 42.32 C ATOM 65 C HIS A 5 20.748 -32.970 6.877 1.00 51.31 C ATOM 66 O HIS A 5 19.867 -33.395 6.125 1.00 44.31 O ATOM 67 CB HIS A 5 22.240 -35.000 6.568 1.00 73.45 C ATOM 68 CG HIS A 5 21.209 -36.034 6.201 1.00 22.14 C ATOM 69 ND1 HIS A 5 20.264 -35.841 5.216 1.00 22.11 N ATOM 70 CD2 HIS A 5 20.990 -37.284 6.678 1.00 1.55 C ATOM 71 CE1 HIS A 5 19.512 -36.917 5.107 1.00 2.21 C ATOM 72 NE2 HIS A 5 19.930 -37.805 5.980 1.00 41.30 N ATOM 0 H HIS A 5 21.224 -35.566 8.770 1.00 72.20 H new ATOM 0 HA HIS A 5 22.606 -33.323 7.875 1.00 42.32 H new ATOM 0 HB2 HIS A 5 22.579 -34.507 5.657 1.00 73.45 H new ATOM 0 HB3 HIS A 5 23.105 -35.506 6.998 1.00 73.45 H new ATOM 0 HD1 HIS A 5 20.163 -34.994 4.657 1.00 22.11 H new ATOM 0 HD2 HIS A 5 21.546 -37.778 7.461 1.00 1.55 H new ATOM 0 HE1 HIS A 5 18.691 -37.047 4.417 1.00 2.21 H new ATOM 81 N HIS A 6 20.875 -31.679 7.179 1.00 24.44 N ATOM 82 CA HIS A 6 20.052 -30.628 6.563 1.00 50.14 C ATOM 83 C HIS A 6 20.908 -29.396 6.237 1.00 61.11 C ATOM 84 O HIS A 6 21.842 -29.069 6.973 1.00 42.53 O ATOM 85 CB HIS A 6 18.897 -30.215 7.495 1.00 74.14 C ATOM 86 CG HIS A 6 17.822 -31.252 7.645 1.00 53.51 C ATOM 87 ND1 HIS A 6 16.654 -31.224 6.917 1.00 15.41 N ATOM 88 CD2 HIS A 6 17.734 -32.344 8.444 1.00 24.34 C ATOM 89 CE1 HIS A 6 15.898 -32.245 7.258 1.00 52.40 C ATOM 90 NE2 HIS A 6 16.527 -32.941 8.180 1.00 55.33 N ATOM 0 H HIS A 6 21.550 -31.327 7.858 1.00 24.44 H new ATOM 0 HA HIS A 6 19.634 -31.032 5.641 1.00 50.14 H new ATOM 0 HB2 HIS A 6 19.305 -29.986 8.480 1.00 74.14 H new ATOM 0 HB3 HIS A 6 18.449 -29.297 7.114 1.00 74.14 H new ATOM 0 HD2 HIS A 6 18.475 -32.681 9.154 1.00 24.34 H new ATOM 0 HE1 HIS A 6 14.925 -32.473 6.850 1.00 52.40 H new ATOM 0 HE2 HIS A 6 16.175 -33.788 8.627 1.00 55.33 H new ATOM 99 N HIS A 7 20.593 -28.718 5.136 1.00 31.35 N ATOM 100 CA HIS A 7 21.296 -27.486 4.765 1.00 61.41 C ATOM 101 C HIS A 7 20.975 -26.365 5.769 1.00 5.45 C ATOM 102 O HIS A 7 20.136 -25.497 5.516 1.00 64.11 O ATOM 103 CB HIS A 7 20.919 -27.067 3.334 1.00 51.30 C ATOM 104 CG HIS A 7 21.703 -25.895 2.811 1.00 24.24 C ATOM 105 ND1 HIS A 7 23.014 -25.989 2.405 1.00 0.12 N ATOM 106 CD2 HIS A 7 21.354 -24.596 2.633 1.00 55.24 C ATOM 107 CE1 HIS A 7 23.436 -24.810 1.999 1.00 52.10 C ATOM 108 NE2 HIS A 7 22.454 -23.946 2.125 1.00 71.21 N ATOM 0 H HIS A 7 19.859 -28.997 4.485 1.00 31.35 H new ATOM 0 HA HIS A 7 22.370 -27.671 4.794 1.00 61.41 H new ATOM 0 HB2 HIS A 7 21.067 -27.916 2.667 1.00 51.30 H new ATOM 0 HB3 HIS A 7 19.857 -26.822 3.306 1.00 51.30 H new ATOM 0 HD2 HIS A 7 20.392 -24.155 2.850 1.00 55.24 H new ATOM 0 HE1 HIS A 7 24.425 -24.590 1.625 1.00 52.10 H new ATOM 0 HE2 HIS A 7 22.500 -22.956 1.885 1.00 71.21 H new ATOM 117 N HIS A 8 21.635 -26.411 6.925 1.00 51.52 N ATOM 118 CA HIS A 8 21.351 -25.485 8.024 1.00 51.13 C ATOM 119 C HIS A 8 22.537 -24.550 8.308 1.00 24.33 C ATOM 120 O HIS A 8 23.677 -24.993 8.455 1.00 65.02 O ATOM 121 CB HIS A 8 20.995 -26.285 9.283 1.00 33.23 C ATOM 122 CG HIS A 8 20.639 -25.434 10.469 1.00 41.32 C ATOM 123 ND1 HIS A 8 21.391 -25.393 11.625 1.00 44.44 N ATOM 124 CD2 HIS A 8 19.597 -24.592 10.676 1.00 13.14 C ATOM 125 CE1 HIS A 8 20.831 -24.569 12.485 1.00 15.23 C ATOM 126 NE2 HIS A 8 19.743 -24.070 11.936 1.00 12.14 N ATOM 0 H HIS A 8 22.375 -27.083 7.127 1.00 51.52 H new ATOM 0 HA HIS A 8 20.509 -24.859 7.731 1.00 51.13 H new ATOM 0 HB2 HIS A 8 20.157 -26.944 9.057 1.00 33.23 H new ATOM 0 HB3 HIS A 8 21.839 -26.922 9.547 1.00 33.23 H new ATOM 0 HD2 HIS A 8 18.801 -24.373 9.979 1.00 13.14 H new ATOM 0 HE1 HIS A 8 21.201 -24.341 13.474 1.00 15.23 H new ATOM 0 HE2 HIS A 8 19.110 -23.402 12.377 1.00 12.14 H new ATOM 135 N SER A 9 22.254 -23.253 8.388 1.00 64.34 N ATOM 136 CA SER A 9 23.268 -22.249 8.733 1.00 12.23 C ATOM 137 C SER A 9 22.819 -21.427 9.951 1.00 72.32 C ATOM 138 O SER A 9 21.793 -21.721 10.569 1.00 25.51 O ATOM 139 CB SER A 9 23.522 -21.313 7.543 1.00 55.12 C ATOM 140 OG SER A 9 22.365 -20.554 7.233 1.00 35.10 O ATOM 0 H SER A 9 21.326 -22.866 8.218 1.00 64.34 H new ATOM 0 HA SER A 9 24.193 -22.770 8.979 1.00 12.23 H new ATOM 0 HB2 SER A 9 24.349 -20.642 7.774 1.00 55.12 H new ATOM 0 HB3 SER A 9 23.820 -21.898 6.673 1.00 55.12 H new ATOM 0 HG SER A 9 22.554 -19.965 6.473 1.00 35.10 H new ATOM 146 N HIS A 10 23.597 -20.408 10.305 1.00 41.53 N ATOM 147 CA HIS A 10 23.256 -19.525 11.428 1.00 74.35 C ATOM 148 C HIS A 10 22.312 -18.389 10.988 1.00 32.05 C ATOM 149 O HIS A 10 21.653 -17.759 11.818 1.00 0.11 O ATOM 150 CB HIS A 10 24.543 -18.940 12.027 1.00 21.32 C ATOM 151 CG HIS A 10 24.343 -18.213 13.323 1.00 63.31 C ATOM 152 ND1 HIS A 10 24.514 -18.814 14.549 1.00 71.11 N ATOM 153 CD2 HIS A 10 23.990 -16.929 13.585 1.00 50.24 C ATOM 154 CE1 HIS A 10 24.276 -17.941 15.505 1.00 74.10 C ATOM 155 NE2 HIS A 10 23.957 -16.791 14.950 1.00 24.45 N ATOM 0 H HIS A 10 24.469 -20.169 9.833 1.00 41.53 H new ATOM 0 HA HIS A 10 22.733 -20.115 12.181 1.00 74.35 H new ATOM 0 HB2 HIS A 10 25.258 -19.748 12.183 1.00 21.32 H new ATOM 0 HB3 HIS A 10 24.988 -18.256 11.305 1.00 21.32 H new ATOM 0 HD2 HIS A 10 23.776 -16.161 12.857 1.00 50.24 H new ATOM 0 HE1 HIS A 10 24.333 -18.136 16.566 1.00 74.10 H new ATOM 0 HE2 HIS A 10 23.723 -15.935 15.453 1.00 24.45 H new ATOM 164 N GLU A 11 22.244 -18.143 9.682 1.00 53.35 N ATOM 165 CA GLU A 11 21.466 -17.025 9.137 1.00 13.12 C ATOM 166 C GLU A 11 20.099 -17.501 8.612 1.00 31.51 C ATOM 167 O GLU A 11 19.991 -18.556 7.987 1.00 75.42 O ATOM 168 CB GLU A 11 22.274 -16.327 8.032 1.00 22.14 C ATOM 169 CG GLU A 11 23.656 -15.874 8.504 1.00 4.04 C ATOM 170 CD GLU A 11 24.408 -15.053 7.469 1.00 22.40 C ATOM 171 OE1 GLU A 11 24.226 -13.816 7.444 1.00 74.21 O ATOM 172 OE2 GLU A 11 25.185 -15.631 6.682 1.00 15.40 O ATOM 0 H GLU A 11 22.720 -18.704 8.975 1.00 53.35 H new ATOM 0 HA GLU A 11 21.271 -16.309 9.936 1.00 13.12 H new ATOM 0 HB2 GLU A 11 22.388 -17.007 7.188 1.00 22.14 H new ATOM 0 HB3 GLU A 11 21.717 -15.462 7.672 1.00 22.14 H new ATOM 0 HG2 GLU A 11 23.546 -15.285 9.414 1.00 4.04 H new ATOM 0 HG3 GLU A 11 24.249 -16.751 8.762 1.00 4.04 H new ATOM 179 N HIS A 12 19.055 -16.713 8.872 1.00 2.03 N ATOM 180 CA HIS A 12 17.674 -17.127 8.585 1.00 13.24 C ATOM 181 C HIS A 12 17.079 -16.383 7.374 1.00 63.14 C ATOM 182 O HIS A 12 16.892 -15.167 7.412 1.00 40.02 O ATOM 183 CB HIS A 12 16.800 -16.886 9.826 1.00 0.41 C ATOM 184 CG HIS A 12 17.301 -17.584 11.057 1.00 45.32 C ATOM 185 ND1 HIS A 12 16.723 -18.728 11.563 1.00 50.41 N ATOM 186 CD2 HIS A 12 18.337 -17.297 11.885 1.00 43.14 C ATOM 187 CE1 HIS A 12 17.375 -19.114 12.638 1.00 10.41 C ATOM 188 NE2 HIS A 12 18.359 -18.266 12.857 1.00 42.45 N ATOM 0 H HIS A 12 19.136 -15.782 9.282 1.00 2.03 H new ATOM 0 HA HIS A 12 17.692 -18.188 8.335 1.00 13.24 H new ATOM 0 HB2 HIS A 12 16.748 -15.815 10.021 1.00 0.41 H new ATOM 0 HB3 HIS A 12 15.784 -17.221 9.616 1.00 0.41 H new ATOM 0 HD2 HIS A 12 19.017 -16.463 11.796 1.00 43.14 H new ATOM 0 HE1 HIS A 12 17.143 -19.980 13.240 1.00 10.41 H new ATOM 0 HE2 HIS A 12 19.029 -18.321 13.624 1.00 42.45 H new ATOM 197 N LYS A 13 16.780 -17.124 6.306 1.00 61.11 N ATOM 198 CA LYS A 13 16.110 -16.557 5.121 1.00 21.31 C ATOM 199 C LYS A 13 14.628 -16.975 5.072 1.00 35.32 C ATOM 200 O LYS A 13 14.306 -18.166 5.102 1.00 70.10 O ATOM 201 CB LYS A 13 16.828 -17.000 3.834 1.00 2.13 C ATOM 202 CG LYS A 13 18.245 -16.437 3.696 1.00 35.54 C ATOM 203 CD LYS A 13 18.934 -16.919 2.417 1.00 41.04 C ATOM 204 CE LYS A 13 18.216 -16.431 1.160 1.00 65.10 C ATOM 205 NZ LYS A 13 18.920 -16.848 -0.081 1.00 33.30 N ATOM 0 H LYS A 13 16.989 -18.120 6.231 1.00 61.11 H new ATOM 0 HA LYS A 13 16.157 -15.471 5.195 1.00 21.31 H new ATOM 0 HB2 LYS A 13 16.875 -18.089 3.811 1.00 2.13 H new ATOM 0 HB3 LYS A 13 16.237 -16.688 2.973 1.00 2.13 H new ATOM 0 HG2 LYS A 13 18.203 -15.348 3.696 1.00 35.54 H new ATOM 0 HG3 LYS A 13 18.838 -16.734 4.561 1.00 35.54 H new ATOM 0 HD2 LYS A 13 19.965 -16.566 2.406 1.00 41.04 H new ATOM 0 HD3 LYS A 13 18.970 -18.008 2.414 1.00 41.04 H new ATOM 0 HE2 LYS A 13 17.199 -16.822 1.149 1.00 65.10 H new ATOM 0 HE3 LYS A 13 18.139 -15.344 1.185 1.00 65.10 H new ATOM 0 HZ1 LYS A 13 18.400 -16.496 -0.910 1.00 33.30 H new ATOM 0 HZ2 LYS A 13 19.882 -16.454 -0.083 1.00 33.30 H new ATOM 0 HZ3 LYS A 13 18.971 -17.886 -0.119 1.00 33.30 H new ATOM 219 N ARG A 14 13.736 -15.990 4.993 1.00 63.50 N ATOM 220 CA ARG A 14 12.287 -16.236 5.012 1.00 30.31 C ATOM 221 C ARG A 14 11.560 -15.381 3.959 1.00 51.24 C ATOM 222 O ARG A 14 11.619 -14.150 4.001 1.00 65.12 O ATOM 223 CB ARG A 14 11.731 -15.917 6.410 1.00 42.33 C ATOM 224 CG ARG A 14 10.247 -16.225 6.590 1.00 31.41 C ATOM 225 CD ARG A 14 9.966 -17.722 6.533 1.00 53.34 C ATOM 226 NE ARG A 14 8.556 -18.021 6.767 1.00 61.33 N ATOM 227 CZ ARG A 14 8.124 -18.935 7.593 1.00 2.52 C ATOM 228 NH1 ARG A 14 8.956 -19.660 8.277 1.00 13.12 N ATOM 229 NH2 ARG A 14 6.857 -19.122 7.734 1.00 54.33 N ATOM 0 H ARG A 14 13.989 -15.005 4.915 1.00 63.50 H new ATOM 0 HA ARG A 14 12.116 -17.286 4.773 1.00 30.31 H new ATOM 0 HB2 ARG A 14 12.298 -16.482 7.150 1.00 42.33 H new ATOM 0 HB3 ARG A 14 11.897 -14.860 6.620 1.00 42.33 H new ATOM 0 HG2 ARG A 14 9.907 -15.828 7.547 1.00 31.41 H new ATOM 0 HG3 ARG A 14 9.674 -15.718 5.813 1.00 31.41 H new ATOM 0 HD2 ARG A 14 10.262 -18.110 5.559 1.00 53.34 H new ATOM 0 HD3 ARG A 14 10.574 -18.234 7.279 1.00 53.34 H new ATOM 0 HE ARG A 14 7.863 -17.480 6.251 1.00 61.33 H new ATOM 0 HH11 ARG A 14 9.961 -19.519 8.172 1.00 13.12 H new ATOM 0 HH12 ARG A 14 8.605 -20.371 8.919 1.00 13.12 H new ATOM 0 HH21 ARG A 14 6.196 -18.557 7.201 1.00 54.33 H new ATOM 0 HH22 ARG A 14 6.515 -19.835 8.378 1.00 54.33 H new ATOM 243 N ALA A 15 10.869 -16.037 3.026 1.00 1.12 N ATOM 244 CA ALA A 15 10.098 -15.329 1.996 1.00 71.02 C ATOM 245 C ALA A 15 8.889 -14.596 2.609 1.00 24.13 C ATOM 246 O ALA A 15 8.241 -15.113 3.525 1.00 22.42 O ATOM 247 CB ALA A 15 9.640 -16.306 0.916 1.00 53.33 C ATOM 0 H ALA A 15 10.826 -17.054 2.960 1.00 1.12 H new ATOM 0 HA ALA A 15 10.747 -14.580 1.542 1.00 71.02 H new ATOM 0 HB1 ALA A 15 9.069 -15.769 0.158 1.00 53.33 H new ATOM 0 HB2 ALA A 15 10.510 -16.771 0.453 1.00 53.33 H new ATOM 0 HB3 ALA A 15 9.013 -17.076 1.365 1.00 53.33 H new ATOM 253 N PRO A 16 8.566 -13.384 2.108 1.00 11.34 N ATOM 254 CA PRO A 16 7.472 -12.558 2.651 1.00 22.21 C ATOM 255 C PRO A 16 6.086 -13.212 2.517 1.00 54.51 C ATOM 256 O PRO A 16 5.748 -13.788 1.482 1.00 51.15 O ATOM 257 CB PRO A 16 7.549 -11.263 1.825 1.00 43.31 C ATOM 258 CG PRO A 16 8.269 -11.647 0.577 1.00 22.23 C ATOM 259 CD PRO A 16 9.240 -12.724 0.978 1.00 73.25 C ATOM 0 HA PRO A 16 7.590 -12.403 3.724 1.00 22.21 H new ATOM 0 HB2 PRO A 16 6.554 -10.875 1.604 1.00 43.31 H new ATOM 0 HB3 PRO A 16 8.083 -10.481 2.365 1.00 43.31 H new ATOM 0 HG2 PRO A 16 7.573 -12.010 -0.180 1.00 22.23 H new ATOM 0 HG3 PRO A 16 8.790 -10.791 0.147 1.00 22.23 H new ATOM 0 HD2 PRO A 16 9.429 -13.420 0.161 1.00 73.25 H new ATOM 0 HD3 PRO A 16 10.204 -12.308 1.272 1.00 73.25 H new ATOM 267 N MET A 17 5.291 -13.109 3.580 1.00 23.22 N ATOM 268 CA MET A 17 3.942 -13.689 3.617 1.00 34.43 C ATOM 269 C MET A 17 2.901 -12.663 4.094 1.00 22.22 C ATOM 270 O MET A 17 3.014 -12.124 5.196 1.00 12.10 O ATOM 271 CB MET A 17 3.948 -14.914 4.548 1.00 73.51 C ATOM 272 CG MET A 17 2.566 -15.429 4.928 1.00 20.11 C ATOM 273 SD MET A 17 1.558 -15.881 3.505 1.00 22.25 S ATOM 274 CE MET A 17 0.079 -16.479 4.325 1.00 44.41 C ATOM 0 H MET A 17 5.558 -12.625 4.437 1.00 23.22 H new ATOM 0 HA MET A 17 3.664 -13.991 2.607 1.00 34.43 H new ATOM 0 HB2 MET A 17 4.501 -15.719 4.064 1.00 73.51 H new ATOM 0 HB3 MET A 17 4.489 -14.659 5.459 1.00 73.51 H new ATOM 0 HG2 MET A 17 2.675 -16.297 5.578 1.00 20.11 H new ATOM 0 HG3 MET A 17 2.046 -14.663 5.504 1.00 20.11 H new ATOM 0 HE1 MET A 17 -0.647 -16.798 3.578 1.00 44.41 H new ATOM 0 HE2 MET A 17 0.334 -17.322 4.967 1.00 44.41 H new ATOM 0 HE3 MET A 17 -0.350 -15.680 4.930 1.00 44.41 H new ATOM 284 N PHE A 18 1.890 -12.395 3.265 1.00 4.13 N ATOM 285 CA PHE A 18 0.792 -11.502 3.655 1.00 2.01 C ATOM 286 C PHE A 18 -0.147 -12.185 4.661 1.00 5.33 C ATOM 287 O PHE A 18 -0.921 -13.076 4.298 1.00 51.13 O ATOM 288 CB PHE A 18 -0.018 -11.046 2.428 1.00 45.40 C ATOM 289 CG PHE A 18 0.613 -9.920 1.643 1.00 2.42 C ATOM 290 CD1 PHE A 18 0.337 -8.597 1.966 1.00 53.10 C ATOM 291 CD2 PHE A 18 1.466 -10.179 0.582 1.00 34.42 C ATOM 292 CE1 PHE A 18 0.899 -7.559 1.247 1.00 5.54 C ATOM 293 CE2 PHE A 18 2.032 -9.143 -0.140 1.00 25.21 C ATOM 294 CZ PHE A 18 1.748 -7.833 0.192 1.00 23.14 C ATOM 0 H PHE A 18 1.807 -12.780 2.324 1.00 4.13 H new ATOM 0 HA PHE A 18 1.242 -10.628 4.126 1.00 2.01 H new ATOM 0 HB2 PHE A 18 -0.160 -11.899 1.765 1.00 45.40 H new ATOM 0 HB3 PHE A 18 -1.008 -10.731 2.759 1.00 45.40 H new ATOM 0 HD1 PHE A 18 -0.326 -8.377 2.790 1.00 53.10 H new ATOM 0 HD2 PHE A 18 1.692 -11.201 0.316 1.00 34.42 H new ATOM 0 HE1 PHE A 18 0.675 -6.536 1.509 1.00 5.54 H new ATOM 0 HE2 PHE A 18 2.696 -9.359 -0.964 1.00 25.21 H new ATOM 0 HZ PHE A 18 2.189 -7.024 -0.372 1.00 23.14 H new ATOM 304 N ILE A 19 -0.064 -11.772 5.921 1.00 53.12 N ATOM 305 CA ILE A 19 -0.964 -12.274 6.966 1.00 13.04 C ATOM 306 C ILE A 19 -2.362 -11.654 6.809 1.00 30.13 C ATOM 307 O ILE A 19 -3.382 -12.305 7.032 1.00 40.12 O ATOM 308 CB ILE A 19 -0.417 -11.954 8.382 1.00 51.01 C ATOM 309 CG1 ILE A 19 1.061 -12.367 8.495 1.00 2.50 C ATOM 310 CG2 ILE A 19 -1.254 -12.656 9.453 1.00 64.24 C ATOM 311 CD1 ILE A 19 1.698 -12.004 9.824 1.00 24.21 C ATOM 0 H ILE A 19 0.618 -11.089 6.249 1.00 53.12 H new ATOM 0 HA ILE A 19 -1.028 -13.356 6.854 1.00 13.04 H new ATOM 0 HB ILE A 19 -0.487 -10.878 8.542 1.00 51.01 H new ATOM 0 HG12 ILE A 19 1.140 -13.444 8.347 1.00 2.50 H new ATOM 0 HG13 ILE A 19 1.624 -11.892 7.691 1.00 2.50 H new ATOM 0 HG21 ILE A 19 -0.855 -12.420 10.439 1.00 64.24 H new ATOM 0 HG22 ILE A 19 -2.287 -12.315 9.388 1.00 64.24 H new ATOM 0 HG23 ILE A 19 -1.217 -13.734 9.295 1.00 64.24 H new ATOM 0 HD11 ILE A 19 2.739 -12.327 9.829 1.00 24.21 H new ATOM 0 HD12 ILE A 19 1.652 -10.924 9.967 1.00 24.21 H new ATOM 0 HD13 ILE A 19 1.161 -12.500 10.632 1.00 24.21 H new ATOM 323 N TYR A 20 -2.384 -10.384 6.405 1.00 50.43 N ATOM 324 CA TYR A 20 -3.631 -9.655 6.145 1.00 43.14 C ATOM 325 C TYR A 20 -3.557 -8.918 4.806 1.00 31.13 C ATOM 326 O TYR A 20 -2.480 -8.499 4.378 1.00 73.33 O ATOM 327 CB TYR A 20 -3.912 -8.625 7.250 1.00 13.42 C ATOM 328 CG TYR A 20 -4.207 -9.221 8.610 1.00 63.54 C ATOM 329 CD1 TYR A 20 -5.505 -9.557 8.973 1.00 51.24 C ATOM 330 CD2 TYR A 20 -3.193 -9.433 9.531 1.00 50.45 C ATOM 331 CE1 TYR A 20 -5.781 -10.089 10.215 1.00 75.34 C ATOM 332 CE2 TYR A 20 -3.460 -9.968 10.775 1.00 20.13 C ATOM 333 CZ TYR A 20 -4.757 -10.292 11.114 1.00 34.13 C ATOM 334 OH TYR A 20 -5.031 -10.825 12.354 1.00 74.13 O ATOM 0 H TYR A 20 -1.542 -9.830 6.248 1.00 50.43 H new ATOM 0 HA TYR A 20 -4.434 -10.391 6.121 1.00 43.14 H new ATOM 0 HB2 TYR A 20 -3.051 -7.962 7.338 1.00 13.42 H new ATOM 0 HB3 TYR A 20 -4.759 -8.009 6.947 1.00 13.42 H new ATOM 0 HD1 TYR A 20 -6.311 -9.399 8.271 1.00 51.24 H new ATOM 0 HD2 TYR A 20 -2.177 -9.175 9.271 1.00 50.45 H new ATOM 0 HE1 TYR A 20 -6.796 -10.345 10.482 1.00 75.34 H new ATOM 0 HE2 TYR A 20 -2.658 -10.132 11.479 1.00 20.13 H new ATOM 0 HH TYR A 20 -4.200 -10.905 12.867 1.00 74.13 H new ATOM 344 N LYS A 21 -4.701 -8.766 4.154 1.00 41.31 N ATOM 345 CA LYS A 21 -4.797 -7.956 2.937 1.00 31.51 C ATOM 346 C LYS A 21 -5.350 -6.554 3.259 1.00 71.01 C ATOM 347 O LYS A 21 -6.141 -6.393 4.194 1.00 31.22 O ATOM 348 CB LYS A 21 -5.688 -8.657 1.899 1.00 3.23 C ATOM 349 CG LYS A 21 -7.110 -8.937 2.381 1.00 25.15 C ATOM 350 CD LYS A 21 -7.950 -9.624 1.305 1.00 13.31 C ATOM 351 CE LYS A 21 -8.060 -8.771 0.045 1.00 44.11 C ATOM 352 NZ LYS A 21 -8.785 -9.476 -1.045 1.00 5.23 N ATOM 0 H LYS A 21 -5.581 -9.192 4.445 1.00 41.31 H new ATOM 0 HA LYS A 21 -3.797 -7.842 2.519 1.00 31.51 H new ATOM 0 HB2 LYS A 21 -5.735 -8.040 1.002 1.00 3.23 H new ATOM 0 HB3 LYS A 21 -5.221 -9.600 1.613 1.00 3.23 H new ATOM 0 HG2 LYS A 21 -7.075 -9.566 3.271 1.00 25.15 H new ATOM 0 HG3 LYS A 21 -7.586 -8.000 2.671 1.00 25.15 H new ATOM 0 HD2 LYS A 21 -7.504 -10.587 1.055 1.00 13.31 H new ATOM 0 HD3 LYS A 21 -8.947 -9.826 1.696 1.00 13.31 H new ATOM 0 HE2 LYS A 21 -8.577 -7.841 0.281 1.00 44.11 H new ATOM 0 HE3 LYS A 21 -7.061 -8.502 -0.299 1.00 44.11 H new ATOM 0 HZ1 LYS A 21 -8.837 -8.861 -1.882 1.00 5.23 H new ATOM 0 HZ2 LYS A 21 -8.279 -10.351 -1.289 1.00 5.23 H new ATOM 0 HZ3 LYS A 21 -9.747 -9.710 -0.727 1.00 5.23 H new ATOM 366 N PRO A 22 -4.936 -5.516 2.507 1.00 34.01 N ATOM 367 CA PRO A 22 -5.452 -4.158 2.697 1.00 2.53 C ATOM 368 C PRO A 22 -6.850 -3.988 2.083 1.00 74.03 C ATOM 369 O PRO A 22 -7.052 -4.227 0.890 1.00 25.35 O ATOM 370 CB PRO A 22 -4.422 -3.255 1.995 1.00 31.43 C ATOM 371 CG PRO A 22 -3.392 -4.168 1.395 1.00 71.40 C ATOM 372 CD PRO A 22 -3.949 -5.569 1.424 1.00 12.15 C ATOM 0 HA PRO A 22 -5.571 -3.912 3.752 1.00 2.53 H new ATOM 0 HB2 PRO A 22 -4.899 -2.649 1.225 1.00 31.43 H new ATOM 0 HB3 PRO A 22 -3.963 -2.566 2.704 1.00 31.43 H new ATOM 0 HG2 PRO A 22 -3.164 -3.868 0.372 1.00 71.40 H new ATOM 0 HG3 PRO A 22 -2.460 -4.115 1.958 1.00 71.40 H new ATOM 0 HD2 PRO A 22 -4.409 -5.839 0.473 1.00 12.15 H new ATOM 0 HD3 PRO A 22 -3.172 -6.307 1.623 1.00 12.15 H new ATOM 380 N GLN A 23 -7.808 -3.562 2.901 1.00 62.12 N ATOM 381 CA GLN A 23 -9.207 -3.474 2.479 1.00 31.35 C ATOM 382 C GLN A 23 -9.554 -2.088 1.913 1.00 34.24 C ATOM 383 O GLN A 23 -9.002 -1.075 2.336 1.00 60.02 O ATOM 384 CB GLN A 23 -10.133 -3.814 3.656 1.00 62.24 C ATOM 385 CG GLN A 23 -9.953 -5.231 4.193 1.00 1.41 C ATOM 386 CD GLN A 23 -10.333 -6.299 3.178 1.00 53.13 C ATOM 387 OE1 GLN A 23 -9.510 -6.760 2.399 1.00 31.35 O ATOM 388 NE2 GLN A 23 -11.587 -6.696 3.175 1.00 15.00 N ATOM 0 H GLN A 23 -7.642 -3.271 3.864 1.00 62.12 H new ATOM 0 HA GLN A 23 -9.355 -4.198 1.678 1.00 31.35 H new ATOM 0 HB2 GLN A 23 -9.954 -3.104 4.464 1.00 62.24 H new ATOM 0 HB3 GLN A 23 -11.168 -3.684 3.341 1.00 62.24 H new ATOM 0 HG2 GLN A 23 -8.914 -5.373 4.491 1.00 1.41 H new ATOM 0 HG3 GLN A 23 -10.561 -5.355 5.089 1.00 1.41 H new ATOM 0 HE21 GLN A 23 -12.251 -6.294 3.837 1.00 15.00 H new ATOM 0 HE22 GLN A 23 -11.895 -7.406 2.511 1.00 15.00 H new ATOM 397 N SER A 24 -10.463 -2.066 0.938 1.00 1.33 N ATOM 398 CA SER A 24 -10.873 -0.819 0.267 1.00 35.42 C ATOM 399 C SER A 24 -11.712 0.094 1.177 1.00 50.11 C ATOM 400 O SER A 24 -12.620 -0.362 1.876 1.00 21.22 O ATOM 401 CB SER A 24 -11.679 -1.131 -1.007 1.00 52.32 C ATOM 402 OG SER A 24 -12.897 -1.804 -0.711 1.00 63.21 O ATOM 0 H SER A 24 -10.935 -2.900 0.589 1.00 1.33 H new ATOM 0 HA SER A 24 -9.954 -0.291 0.012 1.00 35.42 H new ATOM 0 HB2 SER A 24 -11.896 -0.203 -1.536 1.00 52.32 H new ATOM 0 HB3 SER A 24 -11.077 -1.746 -1.676 1.00 52.32 H new ATOM 0 HG SER A 24 -13.382 -1.984 -1.543 1.00 63.21 H new ATOM 408 N LYS A 25 -11.390 1.387 1.164 1.00 1.25 N ATOM 409 CA LYS A 25 -12.194 2.417 1.839 1.00 70.43 C ATOM 410 C LYS A 25 -12.646 3.477 0.820 1.00 42.54 C ATOM 411 O LYS A 25 -12.116 3.540 -0.294 1.00 24.42 O ATOM 412 CB LYS A 25 -11.405 3.110 2.970 1.00 0.03 C ATOM 413 CG LYS A 25 -11.064 2.227 4.174 1.00 32.20 C ATOM 414 CD LYS A 25 -9.901 1.278 3.893 1.00 62.43 C ATOM 415 CE LYS A 25 -9.490 0.493 5.137 1.00 10.44 C ATOM 416 NZ LYS A 25 -8.921 1.374 6.194 1.00 12.24 N ATOM 0 H LYS A 25 -10.566 1.754 0.687 1.00 1.25 H new ATOM 0 HA LYS A 25 -13.059 1.921 2.279 1.00 70.43 H new ATOM 0 HB2 LYS A 25 -10.477 3.501 2.554 1.00 0.03 H new ATOM 0 HB3 LYS A 25 -11.983 3.965 3.321 1.00 0.03 H new ATOM 0 HG2 LYS A 25 -10.814 2.860 5.026 1.00 32.20 H new ATOM 0 HG3 LYS A 25 -11.943 1.646 4.455 1.00 32.20 H new ATOM 0 HD2 LYS A 25 -10.183 0.583 3.102 1.00 62.43 H new ATOM 0 HD3 LYS A 25 -9.048 1.849 3.526 1.00 62.43 H new ATOM 0 HE2 LYS A 25 -10.357 -0.035 5.534 1.00 10.44 H new ATOM 0 HE3 LYS A 25 -8.755 -0.263 4.861 1.00 10.44 H new ATOM 0 HZ1 LYS A 25 -8.594 0.792 6.992 1.00 12.24 H new ATOM 0 HZ2 LYS A 25 -8.119 1.910 5.805 1.00 12.24 H new ATOM 0 HZ3 LYS A 25 -9.652 2.036 6.525 1.00 12.24 H new ATOM 430 N LYS A 26 -13.636 4.293 1.188 1.00 43.20 N ATOM 431 CA LYS A 26 -14.080 5.393 0.321 1.00 71.43 C ATOM 432 C LYS A 26 -14.182 6.720 1.093 1.00 71.14 C ATOM 433 O LYS A 26 -14.768 6.786 2.179 1.00 12.42 O ATOM 434 CB LYS A 26 -15.422 5.060 -0.357 1.00 44.24 C ATOM 435 CG LYS A 26 -16.601 4.908 0.602 1.00 73.31 C ATOM 436 CD LYS A 26 -17.906 4.630 -0.147 1.00 65.31 C ATOM 437 CE LYS A 26 -18.262 5.754 -1.120 1.00 64.42 C ATOM 438 NZ LYS A 26 -18.490 7.051 -0.425 1.00 31.14 N ATOM 0 H LYS A 26 -14.142 4.217 2.070 1.00 43.20 H new ATOM 0 HA LYS A 26 -13.324 5.515 -0.454 1.00 71.43 H new ATOM 0 HB2 LYS A 26 -15.655 5.845 -1.076 1.00 44.24 H new ATOM 0 HB3 LYS A 26 -15.309 4.134 -0.921 1.00 44.24 H new ATOM 0 HG2 LYS A 26 -16.401 4.094 1.299 1.00 73.31 H new ATOM 0 HG3 LYS A 26 -16.708 5.817 1.195 1.00 73.31 H new ATOM 0 HD2 LYS A 26 -17.816 3.692 -0.695 1.00 65.31 H new ATOM 0 HD3 LYS A 26 -18.716 4.503 0.572 1.00 65.31 H new ATOM 0 HE2 LYS A 26 -17.458 5.870 -1.847 1.00 64.42 H new ATOM 0 HE3 LYS A 26 -19.158 5.480 -1.676 1.00 64.42 H new ATOM 0 HZ1 LYS A 26 -18.016 7.814 -0.949 1.00 31.14 H new ATOM 0 HZ2 LYS A 26 -19.511 7.245 -0.379 1.00 31.14 H new ATOM 0 HZ3 LYS A 26 -18.103 7.001 0.539 1.00 31.14 H new ATOM 452 N VAL A 27 -13.612 7.778 0.520 1.00 34.11 N ATOM 453 CA VAL A 27 -13.608 9.113 1.149 1.00 73.43 C ATOM 454 C VAL A 27 -14.065 10.198 0.160 1.00 63.52 C ATOM 455 O VAL A 27 -14.332 9.906 -1.002 1.00 50.20 O ATOM 456 CB VAL A 27 -12.199 9.483 1.689 1.00 2.42 C ATOM 457 CG1 VAL A 27 -11.760 8.510 2.782 1.00 2.21 C ATOM 458 CG2 VAL A 27 -11.177 9.524 0.551 1.00 44.20 C ATOM 0 H VAL A 27 -13.142 7.744 -0.385 1.00 34.11 H new ATOM 0 HA VAL A 27 -14.309 9.068 1.983 1.00 73.43 H new ATOM 0 HB VAL A 27 -12.256 10.478 2.130 1.00 2.42 H new ATOM 0 HG11 VAL A 27 -10.771 8.791 3.143 1.00 2.21 H new ATOM 0 HG12 VAL A 27 -12.471 8.545 3.607 1.00 2.21 H new ATOM 0 HG13 VAL A 27 -11.725 7.499 2.376 1.00 2.21 H new ATOM 0 HG21 VAL A 27 -10.197 9.785 0.951 1.00 44.20 H new ATOM 0 HG22 VAL A 27 -11.125 8.546 0.073 1.00 44.20 H new ATOM 0 HG23 VAL A 27 -11.480 10.271 -0.183 1.00 44.20 H new ATOM 468 N LEU A 28 -14.161 11.445 0.626 1.00 13.45 N ATOM 469 CA LEU A 28 -14.540 12.572 -0.240 1.00 63.45 C ATOM 470 C LEU A 28 -13.295 13.248 -0.840 1.00 54.33 C ATOM 471 O LEU A 28 -12.168 13.026 -0.379 1.00 23.04 O ATOM 472 CB LEU A 28 -15.370 13.599 0.548 1.00 31.02 C ATOM 473 CG LEU A 28 -16.746 13.111 1.035 1.00 4.25 C ATOM 474 CD1 LEU A 28 -17.416 14.166 1.912 1.00 32.04 C ATOM 475 CD2 LEU A 28 -17.641 12.756 -0.150 1.00 55.33 C ATOM 0 H LEU A 28 -13.982 11.703 1.596 1.00 13.45 H new ATOM 0 HA LEU A 28 -15.146 12.180 -1.057 1.00 63.45 H new ATOM 0 HB2 LEU A 28 -14.791 13.919 1.414 1.00 31.02 H new ATOM 0 HB3 LEU A 28 -15.518 14.478 -0.079 1.00 31.02 H new ATOM 0 HG LEU A 28 -16.594 12.213 1.635 1.00 4.25 H new ATOM 0 HD11 LEU A 28 -18.387 13.799 2.245 1.00 32.04 H new ATOM 0 HD12 LEU A 28 -16.788 14.370 2.780 1.00 32.04 H new ATOM 0 HD13 LEU A 28 -17.551 15.083 1.339 1.00 32.04 H new ATOM 0 HD21 LEU A 28 -18.609 12.413 0.215 1.00 55.33 H new ATOM 0 HD22 LEU A 28 -17.781 13.637 -0.777 1.00 55.33 H new ATOM 0 HD23 LEU A 28 -17.173 11.964 -0.735 1.00 55.33 H new ATOM 487 N GLU A 29 -13.497 14.082 -1.860 1.00 72.23 N ATOM 488 CA GLU A 29 -12.371 14.727 -2.548 1.00 44.11 C ATOM 489 C GLU A 29 -11.740 15.818 -1.673 1.00 13.24 C ATOM 490 O GLU A 29 -12.318 16.886 -1.472 1.00 5.43 O ATOM 491 CB GLU A 29 -12.810 15.305 -3.903 1.00 45.15 C ATOM 492 CG GLU A 29 -13.288 14.244 -4.893 1.00 41.04 C ATOM 493 CD GLU A 29 -13.476 14.784 -6.303 1.00 14.24 C ATOM 494 OE1 GLU A 29 -14.578 15.279 -6.620 1.00 24.54 O ATOM 495 OE2 GLU A 29 -12.525 14.697 -7.109 1.00 13.41 O ATOM 0 H GLU A 29 -14.417 14.327 -2.227 1.00 72.23 H new ATOM 0 HA GLU A 29 -11.616 13.963 -2.733 1.00 44.11 H new ATOM 0 HB2 GLU A 29 -13.612 16.025 -3.739 1.00 45.15 H new ATOM 0 HB3 GLU A 29 -11.976 15.852 -4.343 1.00 45.15 H new ATOM 0 HG2 GLU A 29 -12.567 13.427 -4.917 1.00 41.04 H new ATOM 0 HG3 GLU A 29 -14.232 13.827 -4.541 1.00 41.04 H new ATOM 502 N GLY A 30 -10.545 15.533 -1.155 1.00 14.34 N ATOM 503 CA GLY A 30 -9.876 16.450 -0.241 1.00 23.44 C ATOM 504 C GLY A 30 -9.657 15.860 1.150 1.00 25.01 C ATOM 505 O GLY A 30 -9.191 16.553 2.057 1.00 64.24 O ATOM 0 H GLY A 30 -10.025 14.678 -1.353 1.00 14.34 H new ATOM 0 HA2 GLY A 30 -8.912 16.735 -0.663 1.00 23.44 H new ATOM 0 HA3 GLY A 30 -10.468 17.361 -0.153 1.00 23.44 H new ATOM 509 N ASP A 31 -10.017 14.592 1.337 1.00 53.30 N ATOM 510 CA ASP A 31 -9.827 13.912 2.625 1.00 44.22 C ATOM 511 C ASP A 31 -8.685 12.881 2.570 1.00 33.42 C ATOM 512 O ASP A 31 -7.929 12.821 1.596 1.00 3.44 O ATOM 513 CB ASP A 31 -11.137 13.252 3.062 1.00 13.02 C ATOM 514 CG ASP A 31 -12.202 14.286 3.376 1.00 72.22 C ATOM 515 OD1 ASP A 31 -12.196 14.829 4.501 1.00 31.10 O ATOM 516 OD2 ASP A 31 -13.028 14.586 2.495 1.00 72.11 O ATOM 0 H ASP A 31 -10.443 14.011 0.615 1.00 53.30 H new ATOM 0 HA ASP A 31 -9.541 14.662 3.362 1.00 44.22 H new ATOM 0 HB2 ASP A 31 -11.493 12.589 2.273 1.00 13.02 H new ATOM 0 HB3 ASP A 31 -10.958 12.633 3.941 1.00 13.02 H new ATOM 521 N SER A 32 -8.559 12.085 3.632 1.00 33.03 N ATOM 522 CA SER A 32 -7.460 11.115 3.761 1.00 3.44 C ATOM 523 C SER A 32 -7.971 9.690 4.019 1.00 64.52 C ATOM 524 O SER A 32 -9.098 9.487 4.471 1.00 53.11 O ATOM 525 CB SER A 32 -6.515 11.534 4.896 1.00 24.33 C ATOM 526 OG SER A 32 -7.194 11.588 6.144 1.00 44.23 O ATOM 0 H SER A 32 -9.205 12.090 4.421 1.00 33.03 H new ATOM 0 HA SER A 32 -6.923 11.110 2.812 1.00 3.44 H new ATOM 0 HB2 SER A 32 -5.687 10.828 4.961 1.00 24.33 H new ATOM 0 HB3 SER A 32 -6.085 12.510 4.672 1.00 24.33 H new ATOM 0 HG SER A 32 -6.566 11.856 6.847 1.00 44.23 H new ATOM 532 N VAL A 33 -7.121 8.708 3.724 1.00 35.50 N ATOM 533 CA VAL A 33 -7.444 7.292 3.939 1.00 24.21 C ATOM 534 C VAL A 33 -6.184 6.497 4.333 1.00 44.34 C ATOM 535 O VAL A 33 -5.064 6.892 3.998 1.00 30.11 O ATOM 536 CB VAL A 33 -8.066 6.663 2.665 1.00 64.44 C ATOM 537 CG1 VAL A 33 -7.047 6.633 1.523 1.00 44.13 C ATOM 538 CG2 VAL A 33 -8.609 5.262 2.952 1.00 11.44 C ATOM 0 H VAL A 33 -6.193 8.866 3.331 1.00 35.50 H new ATOM 0 HA VAL A 33 -8.170 7.243 4.751 1.00 24.21 H new ATOM 0 HB VAL A 33 -8.904 7.287 2.355 1.00 64.44 H new ATOM 0 HG11 VAL A 33 -7.504 6.188 0.639 1.00 44.13 H new ATOM 0 HG12 VAL A 33 -6.728 7.650 1.294 1.00 44.13 H new ATOM 0 HG13 VAL A 33 -6.183 6.040 1.822 1.00 44.13 H new ATOM 0 HG21 VAL A 33 -9.039 4.845 2.041 1.00 11.44 H new ATOM 0 HG22 VAL A 33 -7.798 4.621 3.297 1.00 11.44 H new ATOM 0 HG23 VAL A 33 -9.378 5.321 3.723 1.00 11.44 H new ATOM 548 N LYS A 34 -6.368 5.379 5.039 1.00 40.41 N ATOM 549 CA LYS A 34 -5.243 4.525 5.437 1.00 20.31 C ATOM 550 C LYS A 34 -5.458 3.065 4.993 1.00 61.14 C ATOM 551 O LYS A 34 -6.522 2.477 5.217 1.00 51.22 O ATOM 552 CB LYS A 34 -5.022 4.599 6.960 1.00 71.45 C ATOM 553 CG LYS A 34 -6.183 4.064 7.797 1.00 73.34 C ATOM 554 CD LYS A 34 -5.947 4.258 9.295 1.00 35.43 C ATOM 555 CE LYS A 34 -4.660 3.587 9.769 1.00 32.34 C ATOM 556 NZ LYS A 34 -4.424 3.804 11.220 1.00 23.24 N ATOM 0 H LYS A 34 -7.281 5.044 5.347 1.00 40.41 H new ATOM 0 HA LYS A 34 -4.350 4.897 4.935 1.00 20.31 H new ATOM 0 HB2 LYS A 34 -4.122 4.038 7.211 1.00 71.45 H new ATOM 0 HB3 LYS A 34 -4.839 5.637 7.238 1.00 71.45 H new ATOM 0 HG2 LYS A 34 -7.103 4.571 7.506 1.00 73.34 H new ATOM 0 HG3 LYS A 34 -6.323 3.004 7.586 1.00 73.34 H new ATOM 0 HD2 LYS A 34 -5.902 5.324 9.519 1.00 35.43 H new ATOM 0 HD3 LYS A 34 -6.792 3.851 9.850 1.00 35.43 H new ATOM 0 HE2 LYS A 34 -4.712 2.517 9.566 1.00 32.34 H new ATOM 0 HE3 LYS A 34 -3.816 3.979 9.201 1.00 32.34 H new ATOM 0 HZ1 LYS A 34 -3.541 3.333 11.502 1.00 23.24 H new ATOM 0 HZ2 LYS A 34 -4.349 4.824 11.411 1.00 23.24 H new ATOM 0 HZ3 LYS A 34 -5.217 3.408 11.764 1.00 23.24 H new ATOM 570 N LEU A 35 -4.446 2.497 4.341 1.00 41.04 N ATOM 571 CA LEU A 35 -4.471 1.095 3.899 1.00 63.32 C ATOM 572 C LEU A 35 -3.378 0.288 4.622 1.00 61.32 C ATOM 573 O LEU A 35 -2.189 0.514 4.405 1.00 34.24 O ATOM 574 CB LEU A 35 -4.258 1.030 2.376 1.00 11.11 C ATOM 575 CG LEU A 35 -5.305 1.780 1.532 1.00 74.45 C ATOM 576 CD1 LEU A 35 -4.940 1.738 0.048 1.00 53.10 C ATOM 577 CD2 LEU A 35 -6.704 1.209 1.763 1.00 61.42 C ATOM 0 H LEU A 35 -3.585 2.990 4.102 1.00 41.04 H new ATOM 0 HA LEU A 35 -5.441 0.662 4.144 1.00 63.32 H new ATOM 0 HB2 LEU A 35 -3.272 1.435 2.146 1.00 11.11 H new ATOM 0 HB3 LEU A 35 -4.252 -0.016 2.071 1.00 11.11 H new ATOM 0 HG LEU A 35 -5.309 2.822 1.851 1.00 74.45 H new ATOM 0 HD11 LEU A 35 -5.694 2.274 -0.528 1.00 53.10 H new ATOM 0 HD12 LEU A 35 -3.968 2.208 -0.101 1.00 53.10 H new ATOM 0 HD13 LEU A 35 -4.897 0.702 -0.287 1.00 53.10 H new ATOM 0 HD21 LEU A 35 -7.425 1.756 1.156 1.00 61.42 H new ATOM 0 HD22 LEU A 35 -6.718 0.156 1.483 1.00 61.42 H new ATOM 0 HD23 LEU A 35 -6.968 1.308 2.816 1.00 61.42 H new ATOM 589 N GLU A 36 -3.777 -0.661 5.471 1.00 24.11 N ATOM 590 CA GLU A 36 -2.820 -1.370 6.339 1.00 22.21 C ATOM 591 C GLU A 36 -2.885 -2.901 6.181 1.00 40.14 C ATOM 592 O GLU A 36 -3.955 -3.474 5.970 1.00 10.21 O ATOM 593 CB GLU A 36 -3.080 -0.990 7.803 1.00 30.30 C ATOM 594 CG GLU A 36 -4.501 -1.290 8.272 1.00 10.32 C ATOM 595 CD GLU A 36 -4.745 -0.872 9.712 1.00 41.22 C ATOM 596 OE1 GLU A 36 -5.104 0.302 9.944 1.00 3.15 O ATOM 597 OE2 GLU A 36 -4.587 -1.715 10.616 1.00 50.15 O ATOM 0 H GLU A 36 -4.747 -0.958 5.580 1.00 24.11 H new ATOM 0 HA GLU A 36 -1.820 -1.062 6.034 1.00 22.21 H new ATOM 0 HB2 GLU A 36 -2.376 -1.527 8.439 1.00 30.30 H new ATOM 0 HB3 GLU A 36 -2.881 0.074 7.934 1.00 30.30 H new ATOM 0 HG2 GLU A 36 -5.209 -0.774 7.624 1.00 10.32 H new ATOM 0 HG3 GLU A 36 -4.695 -2.358 8.170 1.00 10.32 H new ATOM 604 N CYS A 37 -1.726 -3.554 6.301 1.00 44.52 N ATOM 605 CA CYS A 37 -1.631 -5.021 6.221 1.00 13.03 C ATOM 606 C CYS A 37 -0.395 -5.542 6.974 1.00 21.44 C ATOM 607 O CYS A 37 0.542 -4.788 7.238 1.00 71.03 O ATOM 608 CB CYS A 37 -1.574 -5.473 4.758 1.00 31.11 C ATOM 609 SG CYS A 37 -0.231 -4.725 3.804 1.00 63.23 S ATOM 0 H CYS A 37 -0.832 -3.089 6.455 1.00 44.52 H new ATOM 0 HA CYS A 37 -2.521 -5.437 6.692 1.00 13.03 H new ATOM 0 HB2 CYS A 37 -1.466 -6.557 4.728 1.00 31.11 H new ATOM 0 HB3 CYS A 37 -2.523 -5.234 4.278 1.00 31.11 H new ATOM 0 HG CYS A 37 -0.388 -5.001 2.543 1.00 63.23 H new ATOM 615 N GLN A 38 -0.398 -6.831 7.321 1.00 53.11 N ATOM 616 CA GLN A 38 0.739 -7.452 8.025 1.00 50.34 C ATOM 617 C GLN A 38 1.513 -8.411 7.106 1.00 33.51 C ATOM 618 O GLN A 38 0.924 -9.294 6.481 1.00 0.11 O ATOM 619 CB GLN A 38 0.249 -8.227 9.260 1.00 62.52 C ATOM 620 CG GLN A 38 -0.466 -7.371 10.303 1.00 75.24 C ATOM 621 CD GLN A 38 0.435 -6.343 10.973 1.00 21.13 C ATOM 622 OE1 GLN A 38 -0.015 -5.271 11.359 1.00 11.35 O ATOM 623 NE2 GLN A 38 1.703 -6.666 11.148 1.00 33.35 N ATOM 0 H GLN A 38 -1.171 -7.468 7.129 1.00 53.11 H new ATOM 0 HA GLN A 38 1.406 -6.648 8.335 1.00 50.34 H new ATOM 0 HB2 GLN A 38 -0.426 -9.018 8.933 1.00 62.52 H new ATOM 0 HB3 GLN A 38 1.104 -8.713 9.731 1.00 62.52 H new ATOM 0 HG2 GLN A 38 -1.300 -6.855 9.827 1.00 75.24 H new ATOM 0 HG3 GLN A 38 -0.889 -8.023 11.067 1.00 75.24 H new ATOM 0 HE21 GLN A 38 2.051 -7.566 10.816 1.00 33.35 H new ATOM 0 HE22 GLN A 38 2.335 -6.016 11.615 1.00 33.35 H new ATOM 632 N ILE A 39 2.835 -8.241 7.042 1.00 61.50 N ATOM 633 CA ILE A 39 3.702 -9.118 6.242 1.00 2.03 C ATOM 634 C ILE A 39 4.781 -9.783 7.117 1.00 21.15 C ATOM 635 O ILE A 39 5.418 -9.129 7.945 1.00 25.11 O ATOM 636 CB ILE A 39 4.398 -8.335 5.096 1.00 34.23 C ATOM 637 CG1 ILE A 39 3.355 -7.675 4.178 1.00 41.30 C ATOM 638 CG2 ILE A 39 5.318 -9.257 4.289 1.00 22.15 C ATOM 639 CD1 ILE A 39 3.961 -6.894 3.030 1.00 23.31 C ATOM 0 H ILE A 39 3.334 -7.501 7.536 1.00 61.50 H new ATOM 0 HA ILE A 39 3.060 -9.887 5.812 1.00 2.03 H new ATOM 0 HB ILE A 39 5.008 -7.550 5.543 1.00 34.23 H new ATOM 0 HG12 ILE A 39 2.699 -8.446 3.775 1.00 41.30 H new ATOM 0 HG13 ILE A 39 2.732 -7.006 4.772 1.00 41.30 H new ATOM 0 HG21 ILE A 39 5.795 -8.687 3.491 1.00 22.15 H new ATOM 0 HG22 ILE A 39 6.082 -9.673 4.945 1.00 22.15 H new ATOM 0 HG23 ILE A 39 4.732 -10.067 3.855 1.00 22.15 H new ATOM 0 HD11 ILE A 39 3.165 -6.458 2.427 1.00 23.31 H new ATOM 0 HD12 ILE A 39 4.594 -6.099 3.425 1.00 23.31 H new ATOM 0 HD13 ILE A 39 4.560 -7.562 2.412 1.00 23.31 H new ATOM 651 N SER A 40 4.973 -11.090 6.937 1.00 40.12 N ATOM 652 CA SER A 40 6.037 -11.827 7.640 1.00 64.43 C ATOM 653 C SER A 40 7.206 -12.145 6.697 1.00 43.04 C ATOM 654 O SER A 40 7.118 -13.053 5.867 1.00 32.40 O ATOM 655 CB SER A 40 5.480 -13.132 8.228 1.00 2.43 C ATOM 656 OG SER A 40 6.517 -13.956 8.741 1.00 60.21 O ATOM 0 H SER A 40 4.408 -11.665 6.312 1.00 40.12 H new ATOM 0 HA SER A 40 6.405 -11.193 8.447 1.00 64.43 H new ATOM 0 HB2 SER A 40 4.771 -12.901 9.023 1.00 2.43 H new ATOM 0 HB3 SER A 40 4.930 -13.674 7.458 1.00 2.43 H new ATOM 0 HG SER A 40 6.130 -14.778 9.109 1.00 60.21 H new ATOM 662 N ALA A 41 8.283 -11.365 6.802 1.00 1.21 N ATOM 663 CA ALA A 41 9.503 -11.594 6.015 1.00 62.54 C ATOM 664 C ALA A 41 10.765 -11.492 6.885 1.00 64.32 C ATOM 665 O ALA A 41 10.803 -10.718 7.841 1.00 34.12 O ATOM 666 CB ALA A 41 9.580 -10.600 4.864 1.00 13.12 C ATOM 0 H ALA A 41 8.338 -10.562 7.429 1.00 1.21 H new ATOM 0 HA ALA A 41 9.454 -12.607 5.615 1.00 62.54 H new ATOM 0 HB1 ALA A 41 10.488 -10.780 4.288 1.00 13.12 H new ATOM 0 HB2 ALA A 41 8.711 -10.723 4.218 1.00 13.12 H new ATOM 0 HB3 ALA A 41 9.597 -9.585 5.260 1.00 13.12 H new ATOM 672 N ILE A 42 11.798 -12.263 6.543 1.00 71.00 N ATOM 673 CA ILE A 42 13.095 -12.186 7.238 1.00 65.14 C ATOM 674 C ILE A 42 14.257 -12.333 6.237 1.00 42.53 C ATOM 675 O ILE A 42 14.460 -13.413 5.677 1.00 5.42 O ATOM 676 CB ILE A 42 13.241 -13.284 8.334 1.00 13.43 C ATOM 677 CG1 ILE A 42 12.123 -13.167 9.387 1.00 3.20 C ATOM 678 CG2 ILE A 42 14.617 -13.193 9.002 1.00 1.11 C ATOM 679 CD1 ILE A 42 12.163 -14.249 10.448 1.00 44.25 C ATOM 0 H ILE A 42 11.767 -12.950 5.790 1.00 71.00 H new ATOM 0 HA ILE A 42 13.132 -11.208 7.718 1.00 65.14 H new ATOM 0 HB ILE A 42 13.150 -14.257 7.852 1.00 13.43 H new ATOM 0 HG12 ILE A 42 12.195 -12.193 9.872 1.00 3.20 H new ATOM 0 HG13 ILE A 42 11.157 -13.202 8.883 1.00 3.20 H new ATOM 0 HG21 ILE A 42 14.703 -13.967 9.765 1.00 1.11 H new ATOM 0 HG22 ILE A 42 15.395 -13.335 8.252 1.00 1.11 H new ATOM 0 HG23 ILE A 42 14.733 -12.213 9.465 1.00 1.11 H new ATOM 0 HD11 ILE A 42 11.345 -14.098 11.152 1.00 44.25 H new ATOM 0 HD12 ILE A 42 12.060 -15.226 9.976 1.00 44.25 H new ATOM 0 HD13 ILE A 42 13.113 -14.202 10.980 1.00 44.25 H new ATOM 691 N PRO A 43 15.038 -11.260 5.974 1.00 31.31 N ATOM 692 CA PRO A 43 14.818 -9.901 6.529 1.00 42.12 C ATOM 693 C PRO A 43 13.642 -9.144 5.857 1.00 10.21 C ATOM 694 O PRO A 43 13.042 -9.638 4.903 1.00 12.54 O ATOM 695 CB PRO A 43 16.163 -9.182 6.243 1.00 60.02 C ATOM 696 CG PRO A 43 17.097 -10.237 5.738 1.00 40.11 C ATOM 697 CD PRO A 43 16.235 -11.303 5.130 1.00 15.31 C ATOM 0 HA PRO A 43 14.545 -9.939 7.583 1.00 42.12 H new ATOM 0 HB2 PRO A 43 16.033 -8.391 5.505 1.00 60.02 H new ATOM 0 HB3 PRO A 43 16.555 -8.714 7.146 1.00 60.02 H new ATOM 0 HG2 PRO A 43 17.786 -9.826 5.000 1.00 40.11 H new ATOM 0 HG3 PRO A 43 17.702 -10.642 6.549 1.00 40.11 H new ATOM 0 HD2 PRO A 43 16.004 -11.092 4.086 1.00 15.31 H new ATOM 0 HD3 PRO A 43 16.717 -12.280 5.158 1.00 15.31 H new ATOM 705 N PRO A 44 13.278 -7.938 6.359 1.00 5.43 N ATOM 706 CA PRO A 44 12.218 -7.106 5.745 1.00 72.22 C ATOM 707 C PRO A 44 12.424 -6.873 4.231 1.00 0.51 C ATOM 708 O PRO A 44 13.546 -6.645 3.774 1.00 3.41 O ATOM 709 CB PRO A 44 12.323 -5.782 6.515 1.00 14.45 C ATOM 710 CG PRO A 44 12.878 -6.169 7.843 1.00 15.13 C ATOM 711 CD PRO A 44 13.837 -7.300 7.571 1.00 60.23 C ATOM 0 HA PRO A 44 11.242 -7.586 5.812 1.00 72.22 H new ATOM 0 HB2 PRO A 44 12.975 -5.075 6.002 1.00 14.45 H new ATOM 0 HB3 PRO A 44 11.349 -5.302 6.616 1.00 14.45 H new ATOM 0 HG2 PRO A 44 13.388 -5.329 8.314 1.00 15.13 H new ATOM 0 HG3 PRO A 44 12.085 -6.483 8.522 1.00 15.13 H new ATOM 0 HD2 PRO A 44 14.851 -6.936 7.403 1.00 60.23 H new ATOM 0 HD3 PRO A 44 13.884 -7.997 8.407 1.00 60.23 H new ATOM 719 N PRO A 45 11.337 -6.924 3.432 1.00 22.03 N ATOM 720 CA PRO A 45 11.407 -6.786 1.971 1.00 73.04 C ATOM 721 C PRO A 45 11.213 -5.340 1.472 1.00 54.33 C ATOM 722 O PRO A 45 10.859 -4.441 2.241 1.00 5.33 O ATOM 723 CB PRO A 45 10.235 -7.667 1.533 1.00 62.01 C ATOM 724 CG PRO A 45 9.199 -7.464 2.597 1.00 52.55 C ATOM 725 CD PRO A 45 9.945 -7.134 3.877 1.00 32.21 C ATOM 0 HA PRO A 45 12.382 -7.064 1.572 1.00 73.04 H new ATOM 0 HB2 PRO A 45 9.861 -7.372 0.553 1.00 62.01 H new ATOM 0 HB3 PRO A 45 10.530 -8.714 1.460 1.00 62.01 H new ATOM 0 HG2 PRO A 45 8.520 -6.656 2.326 1.00 52.55 H new ATOM 0 HG3 PRO A 45 8.593 -8.361 2.723 1.00 52.55 H new ATOM 0 HD2 PRO A 45 9.540 -6.243 4.357 1.00 32.21 H new ATOM 0 HD3 PRO A 45 9.875 -7.946 4.601 1.00 32.21 H new ATOM 733 N LYS A 46 11.457 -5.126 0.178 1.00 33.33 N ATOM 734 CA LYS A 46 11.203 -3.831 -0.466 1.00 60.41 C ATOM 735 C LYS A 46 9.753 -3.767 -0.972 1.00 52.25 C ATOM 736 O LYS A 46 9.233 -4.747 -1.507 1.00 22.04 O ATOM 737 CB LYS A 46 12.177 -3.623 -1.637 1.00 5.31 C ATOM 738 CG LYS A 46 12.052 -2.266 -2.327 1.00 0.14 C ATOM 739 CD LYS A 46 12.514 -1.119 -1.431 1.00 42.33 C ATOM 740 CE LYS A 46 12.446 0.222 -2.156 1.00 34.31 C ATOM 741 NZ LYS A 46 13.047 1.326 -1.359 1.00 70.03 N ATOM 0 H LYS A 46 11.833 -5.836 -0.450 1.00 33.33 H new ATOM 0 HA LYS A 46 11.357 -3.039 0.267 1.00 60.41 H new ATOM 0 HB2 LYS A 46 13.197 -3.738 -1.270 1.00 5.31 H new ATOM 0 HB3 LYS A 46 12.013 -4.409 -2.374 1.00 5.31 H new ATOM 0 HG2 LYS A 46 12.643 -2.270 -3.243 1.00 0.14 H new ATOM 0 HG3 LYS A 46 11.014 -2.102 -2.618 1.00 0.14 H new ATOM 0 HD2 LYS A 46 11.892 -1.082 -0.537 1.00 42.33 H new ATOM 0 HD3 LYS A 46 13.536 -1.303 -1.101 1.00 42.33 H new ATOM 0 HE2 LYS A 46 12.965 0.143 -3.111 1.00 34.31 H new ATOM 0 HE3 LYS A 46 11.406 0.461 -2.377 1.00 34.31 H new ATOM 0 HZ1 LYS A 46 12.978 2.216 -1.892 1.00 70.03 H new ATOM 0 HZ2 LYS A 46 12.537 1.421 -0.458 1.00 70.03 H new ATOM 0 HZ3 LYS A 46 14.047 1.113 -1.170 1.00 70.03 H new ATOM 755 N LEU A 47 9.105 -2.616 -0.801 1.00 35.25 N ATOM 756 CA LEU A 47 7.690 -2.455 -1.159 1.00 65.45 C ATOM 757 C LEU A 47 7.510 -1.659 -2.461 1.00 51.25 C ATOM 758 O LEU A 47 8.155 -0.629 -2.666 1.00 71.23 O ATOM 759 CB LEU A 47 6.946 -1.744 -0.021 1.00 40.40 C ATOM 760 CG LEU A 47 7.018 -2.438 1.350 1.00 30.10 C ATOM 761 CD1 LEU A 47 6.355 -1.579 2.424 1.00 73.40 C ATOM 762 CD2 LEU A 47 6.381 -3.827 1.291 1.00 24.24 C ATOM 0 H LEU A 47 9.536 -1.776 -0.415 1.00 35.25 H new ATOM 0 HA LEU A 47 7.277 -3.451 -1.317 1.00 65.45 H new ATOM 0 HB2 LEU A 47 7.349 -0.736 0.079 1.00 40.40 H new ATOM 0 HB3 LEU A 47 5.898 -1.642 -0.303 1.00 40.40 H new ATOM 0 HG LEU A 47 8.068 -2.561 1.615 1.00 30.10 H new ATOM 0 HD11 LEU A 47 6.417 -2.088 3.386 1.00 73.40 H new ATOM 0 HD12 LEU A 47 6.866 -0.618 2.488 1.00 73.40 H new ATOM 0 HD13 LEU A 47 5.309 -1.417 2.166 1.00 73.40 H new ATOM 0 HD21 LEU A 47 6.444 -4.298 2.272 1.00 24.24 H new ATOM 0 HD22 LEU A 47 5.335 -3.735 0.999 1.00 24.24 H new ATOM 0 HD23 LEU A 47 6.910 -4.439 0.560 1.00 24.24 H new ATOM 774 N PHE A 48 6.631 -2.148 -3.335 1.00 43.14 N ATOM 775 CA PHE A 48 6.284 -1.445 -4.581 1.00 12.22 C ATOM 776 C PHE A 48 4.759 -1.316 -4.737 1.00 41.32 C ATOM 777 O PHE A 48 4.049 -2.317 -4.820 1.00 12.14 O ATOM 778 CB PHE A 48 6.868 -2.179 -5.799 1.00 53.21 C ATOM 779 CG PHE A 48 8.376 -2.246 -5.804 1.00 1.43 C ATOM 780 CD1 PHE A 48 9.129 -1.183 -6.282 1.00 51.32 C ATOM 781 CD2 PHE A 48 9.037 -3.370 -5.331 1.00 61.23 C ATOM 782 CE1 PHE A 48 10.510 -1.240 -6.284 1.00 3.13 C ATOM 783 CE2 PHE A 48 10.417 -3.431 -5.332 1.00 2.45 C ATOM 784 CZ PHE A 48 11.155 -2.366 -5.810 1.00 12.24 C ATOM 0 H PHE A 48 6.141 -3.033 -3.207 1.00 43.14 H new ATOM 0 HA PHE A 48 6.715 -0.445 -4.527 1.00 12.22 H new ATOM 0 HB2 PHE A 48 6.468 -3.193 -5.827 1.00 53.21 H new ATOM 0 HB3 PHE A 48 6.533 -1.679 -6.708 1.00 53.21 H new ATOM 0 HD1 PHE A 48 8.630 -0.301 -6.657 1.00 51.32 H new ATOM 0 HD2 PHE A 48 8.466 -4.207 -4.958 1.00 61.23 H new ATOM 0 HE1 PHE A 48 11.085 -0.405 -6.656 1.00 3.13 H new ATOM 0 HE2 PHE A 48 10.919 -4.312 -4.959 1.00 2.45 H new ATOM 0 HZ PHE A 48 12.234 -2.413 -5.813 1.00 12.24 H new ATOM 794 N TRP A 49 4.263 -0.079 -4.771 1.00 23.31 N ATOM 795 CA TRP A 49 2.827 0.183 -4.949 1.00 45.21 C ATOM 796 C TRP A 49 2.534 0.750 -6.345 1.00 72.20 C ATOM 797 O TRP A 49 3.110 1.760 -6.753 1.00 4.14 O ATOM 798 CB TRP A 49 2.320 1.166 -3.883 1.00 33.11 C ATOM 799 CG TRP A 49 2.326 0.610 -2.488 1.00 54.31 C ATOM 800 CD1 TRP A 49 3.402 0.490 -1.659 1.00 12.04 C ATOM 801 CD2 TRP A 49 1.199 0.106 -1.761 1.00 70.31 C ATOM 802 NE1 TRP A 49 3.013 -0.056 -0.460 1.00 33.21 N ATOM 803 CE2 TRP A 49 1.665 -0.300 -0.497 1.00 22.04 C ATOM 804 CE3 TRP A 49 -0.158 -0.039 -2.058 1.00 70.00 C ATOM 805 CZ2 TRP A 49 0.820 -0.845 0.469 1.00 4.33 C ATOM 806 CZ3 TRP A 49 -0.995 -0.578 -1.099 1.00 61.52 C ATOM 807 CH2 TRP A 49 -0.504 -0.974 0.152 1.00 10.13 C ATOM 0 H TRP A 49 4.833 0.762 -4.678 1.00 23.31 H new ATOM 0 HA TRP A 49 2.306 -0.768 -4.841 1.00 45.21 H new ATOM 0 HB2 TRP A 49 2.938 2.064 -3.908 1.00 33.11 H new ATOM 0 HB3 TRP A 49 1.305 1.470 -4.138 1.00 33.11 H new ATOM 0 HD1 TRP A 49 4.412 0.781 -1.908 1.00 12.04 H new ATOM 0 HE1 TRP A 49 3.628 -0.249 0.330 1.00 33.21 H new ATOM 0 HE3 TRP A 49 -0.546 0.264 -3.019 1.00 70.00 H new ATOM 0 HZ2 TRP A 49 1.197 -1.154 1.433 1.00 4.33 H new ATOM 0 HZ3 TRP A 49 -2.046 -0.696 -1.318 1.00 61.52 H new ATOM 0 HH2 TRP A 49 -1.185 -1.389 0.880 1.00 10.13 H new ATOM 818 N LYS A 50 1.636 0.097 -7.073 1.00 0.44 N ATOM 819 CA LYS A 50 1.228 0.558 -8.404 1.00 74.44 C ATOM 820 C LYS A 50 -0.296 0.736 -8.472 1.00 50.31 C ATOM 821 O LYS A 50 -1.045 -0.169 -8.126 1.00 51.45 O ATOM 822 CB LYS A 50 1.708 -0.444 -9.464 1.00 61.43 C ATOM 823 CG LYS A 50 1.319 -0.082 -10.892 1.00 42.25 C ATOM 824 CD LYS A 50 1.888 -1.071 -11.909 1.00 32.12 C ATOM 825 CE LYS A 50 3.414 -1.090 -11.896 1.00 11.11 C ATOM 826 NZ LYS A 50 3.970 -1.996 -12.936 1.00 54.53 N ATOM 0 H LYS A 50 1.172 -0.758 -6.766 1.00 0.44 H new ATOM 0 HA LYS A 50 1.685 1.528 -8.601 1.00 74.44 H new ATOM 0 HB2 LYS A 50 2.793 -0.525 -9.405 1.00 61.43 H new ATOM 0 HB3 LYS A 50 1.302 -1.427 -9.228 1.00 61.43 H new ATOM 0 HG2 LYS A 50 0.233 -0.059 -10.977 1.00 42.25 H new ATOM 0 HG3 LYS A 50 1.678 0.921 -11.122 1.00 42.25 H new ATOM 0 HD2 LYS A 50 1.511 -2.071 -11.693 1.00 32.12 H new ATOM 0 HD3 LYS A 50 1.537 -0.807 -12.907 1.00 32.12 H new ATOM 0 HE2 LYS A 50 3.790 -0.080 -12.057 1.00 11.11 H new ATOM 0 HE3 LYS A 50 3.764 -1.408 -10.914 1.00 11.11 H new ATOM 0 HZ1 LYS A 50 5.009 -1.979 -12.892 1.00 54.53 H new ATOM 0 HZ2 LYS A 50 3.632 -2.965 -12.768 1.00 54.53 H new ATOM 0 HZ3 LYS A 50 3.658 -1.678 -13.876 1.00 54.53 H new ATOM 840 N ARG A 51 -0.748 1.902 -8.927 1.00 60.11 N ATOM 841 CA ARG A 51 -2.183 2.212 -9.000 1.00 42.45 C ATOM 842 C ARG A 51 -2.675 2.209 -10.447 1.00 1.10 C ATOM 843 O ARG A 51 -2.299 3.080 -11.223 1.00 13.04 O ATOM 844 CB ARG A 51 -2.443 3.606 -8.410 1.00 44.55 C ATOM 845 CG ARG A 51 -3.909 4.036 -8.457 1.00 32.32 C ATOM 846 CD ARG A 51 -4.071 5.536 -8.238 1.00 51.02 C ATOM 847 NE ARG A 51 -3.635 6.311 -9.404 1.00 23.41 N ATOM 848 CZ ARG A 51 -3.360 7.587 -9.381 1.00 34.34 C ATOM 849 NH1 ARG A 51 -3.352 8.242 -8.262 1.00 53.12 N ATOM 850 NH2 ARG A 51 -3.065 8.199 -10.482 1.00 42.45 N ATOM 0 H ARG A 51 -0.142 2.655 -9.253 1.00 60.11 H new ATOM 0 HA ARG A 51 -2.717 1.447 -8.436 1.00 42.45 H new ATOM 0 HB2 ARG A 51 -2.104 3.620 -7.374 1.00 44.55 H new ATOM 0 HB3 ARG A 51 -1.843 4.337 -8.952 1.00 44.55 H new ATOM 0 HG2 ARG A 51 -4.336 3.762 -9.422 1.00 32.32 H new ATOM 0 HG3 ARG A 51 -4.470 3.496 -7.695 1.00 32.32 H new ATOM 0 HD2 ARG A 51 -5.116 5.760 -8.023 1.00 51.02 H new ATOM 0 HD3 ARG A 51 -3.494 5.839 -7.364 1.00 51.02 H new ATOM 0 HE ARG A 51 -3.540 5.820 -10.293 1.00 23.41 H new ATOM 0 HH11 ARG A 51 -3.562 7.760 -7.388 1.00 53.12 H new ATOM 0 HH12 ARG A 51 -3.136 9.239 -8.256 1.00 53.12 H new ATOM 0 HH21 ARG A 51 -3.048 7.685 -11.363 1.00 42.45 H new ATOM 0 HH22 ARG A 51 -2.849 9.196 -10.469 1.00 42.45 H new ATOM 864 N ASN A 52 -3.534 1.255 -10.802 1.00 22.41 N ATOM 865 CA ASN A 52 -4.139 1.219 -12.141 1.00 55.35 C ATOM 866 C ASN A 52 -3.044 1.230 -13.236 1.00 54.42 C ATOM 867 O ASN A 52 -3.168 1.916 -14.251 1.00 64.34 O ATOM 868 CB ASN A 52 -5.082 2.426 -12.306 1.00 70.51 C ATOM 869 CG ASN A 52 -6.132 2.231 -13.385 1.00 55.12 C ATOM 870 OD1 ASN A 52 -5.956 1.462 -14.325 1.00 31.43 O ATOM 871 ND2 ASN A 52 -7.233 2.941 -13.267 1.00 20.03 N ATOM 0 H ASN A 52 -3.829 0.497 -10.186 1.00 22.41 H new ATOM 0 HA ASN A 52 -4.711 0.298 -12.250 1.00 55.35 H new ATOM 0 HB2 ASN A 52 -5.580 2.620 -11.356 1.00 70.51 H new ATOM 0 HB3 ASN A 52 -4.490 3.310 -12.542 1.00 70.51 H new ATOM 0 HD21 ASN A 52 -7.969 2.861 -13.968 1.00 20.03 H new ATOM 0 HD22 ASN A 52 -7.350 3.572 -12.474 1.00 20.03 H new ATOM 878 N ASN A 53 -1.968 0.465 -12.995 1.00 64.34 N ATOM 879 CA ASN A 53 -0.803 0.383 -13.906 1.00 31.42 C ATOM 880 C ASN A 53 0.098 1.641 -13.826 1.00 71.23 C ATOM 881 O ASN A 53 1.093 1.756 -14.544 1.00 41.13 O ATOM 882 CB ASN A 53 -1.260 0.118 -15.352 1.00 31.13 C ATOM 883 CG ASN A 53 -0.105 -0.139 -16.306 1.00 61.11 C ATOM 884 OD1 ASN A 53 0.938 -0.659 -15.922 1.00 64.22 O ATOM 885 ND2 ASN A 53 -0.275 0.238 -17.557 1.00 43.33 N ATOM 0 H ASN A 53 -1.876 -0.117 -12.163 1.00 64.34 H new ATOM 0 HA ASN A 53 -0.195 -0.459 -13.576 1.00 31.42 H new ATOM 0 HB2 ASN A 53 -1.930 -0.742 -15.363 1.00 31.13 H new ATOM 0 HB3 ASN A 53 -1.833 0.974 -15.708 1.00 31.13 H new ATOM 0 HD21 ASN A 53 0.472 0.100 -18.237 1.00 43.33 H new ATOM 0 HD22 ASN A 53 -1.154 0.668 -17.845 1.00 43.33 H new ATOM 892 N GLU A 54 -0.235 2.567 -12.933 1.00 0.31 N ATOM 893 CA GLU A 54 0.574 3.777 -12.719 1.00 62.02 C ATOM 894 C GLU A 54 1.523 3.604 -11.522 1.00 34.42 C ATOM 895 O GLU A 54 1.146 3.036 -10.498 1.00 10.00 O ATOM 896 CB GLU A 54 -0.329 4.992 -12.467 1.00 62.23 C ATOM 897 CG GLU A 54 -1.394 5.213 -13.534 1.00 3.41 C ATOM 898 CD GLU A 54 -2.205 6.477 -13.287 1.00 61.23 C ATOM 899 OE1 GLU A 54 -3.218 6.412 -12.555 1.00 32.12 O ATOM 900 OE2 GLU A 54 -1.819 7.545 -13.813 1.00 1.32 O ATOM 0 H GLU A 54 -1.063 2.508 -12.340 1.00 0.31 H new ATOM 0 HA GLU A 54 1.164 3.939 -13.621 1.00 62.02 H new ATOM 0 HB2 GLU A 54 -0.819 4.872 -11.501 1.00 62.23 H new ATOM 0 HB3 GLU A 54 0.293 5.885 -12.400 1.00 62.23 H new ATOM 0 HG2 GLU A 54 -0.918 5.275 -14.512 1.00 3.41 H new ATOM 0 HG3 GLU A 54 -2.064 4.353 -13.559 1.00 3.41 H new ATOM 907 N MET A 55 2.749 4.098 -11.646 1.00 34.11 N ATOM 908 CA MET A 55 3.723 4.035 -10.550 1.00 13.25 C ATOM 909 C MET A 55 3.416 5.099 -9.478 1.00 53.24 C ATOM 910 O MET A 55 3.542 6.299 -9.727 1.00 61.44 O ATOM 911 CB MET A 55 5.145 4.227 -11.103 1.00 71.51 C ATOM 912 CG MET A 55 6.270 4.038 -10.080 1.00 54.32 C ATOM 913 SD MET A 55 6.761 2.309 -9.842 1.00 62.13 S ATOM 914 CE MET A 55 5.415 1.650 -8.857 1.00 3.13 C ATOM 0 H MET A 55 3.098 4.548 -12.493 1.00 34.11 H new ATOM 0 HA MET A 55 3.652 3.054 -10.080 1.00 13.25 H new ATOM 0 HB2 MET A 55 5.298 3.524 -11.922 1.00 71.51 H new ATOM 0 HB3 MET A 55 5.222 5.229 -11.524 1.00 71.51 H new ATOM 0 HG2 MET A 55 7.140 4.612 -10.400 1.00 54.32 H new ATOM 0 HG3 MET A 55 5.951 4.450 -9.123 1.00 54.32 H new ATOM 0 HE1 MET A 55 5.796 0.875 -8.192 1.00 3.13 H new ATOM 0 HE2 MET A 55 4.972 2.450 -8.264 1.00 3.13 H new ATOM 0 HE3 MET A 55 4.657 1.224 -9.515 1.00 3.13 H new ATOM 924 N VAL A 56 3.010 4.653 -8.286 1.00 2.33 N ATOM 925 CA VAL A 56 2.652 5.573 -7.197 1.00 65.02 C ATOM 926 C VAL A 56 3.870 6.377 -6.706 1.00 1.45 C ATOM 927 O VAL A 56 4.849 5.815 -6.213 1.00 32.52 O ATOM 928 CB VAL A 56 2.014 4.818 -6.002 1.00 15.45 C ATOM 929 CG1 VAL A 56 1.661 5.784 -4.871 1.00 24.13 C ATOM 930 CG2 VAL A 56 0.777 4.041 -6.454 1.00 52.23 C ATOM 0 H VAL A 56 2.920 3.665 -8.049 1.00 2.33 H new ATOM 0 HA VAL A 56 1.919 6.268 -7.607 1.00 65.02 H new ATOM 0 HB VAL A 56 2.747 4.106 -5.622 1.00 15.45 H new ATOM 0 HG11 VAL A 56 1.215 5.230 -4.045 1.00 24.13 H new ATOM 0 HG12 VAL A 56 2.565 6.286 -4.525 1.00 24.13 H new ATOM 0 HG13 VAL A 56 0.951 6.526 -5.235 1.00 24.13 H new ATOM 0 HG21 VAL A 56 0.344 3.518 -5.601 1.00 52.23 H new ATOM 0 HG22 VAL A 56 0.043 4.733 -6.866 1.00 52.23 H new ATOM 0 HG23 VAL A 56 1.061 3.317 -7.217 1.00 52.23 H new ATOM 940 N GLN A 57 3.797 7.697 -6.852 1.00 14.41 N ATOM 941 CA GLN A 57 4.891 8.589 -6.457 1.00 51.41 C ATOM 942 C GLN A 57 4.736 9.064 -5.000 1.00 3.23 C ATOM 943 O GLN A 57 3.788 9.772 -4.661 1.00 22.42 O ATOM 944 CB GLN A 57 4.942 9.792 -7.409 1.00 4.03 C ATOM 945 CG GLN A 57 5.191 9.404 -8.867 1.00 54.41 C ATOM 946 CD GLN A 57 5.195 10.588 -9.822 1.00 31.34 C ATOM 947 OE1 GLN A 57 4.393 11.594 -9.536 1.00 2.31 O flip ATOM 948 NE2 GLN A 57 5.900 10.587 -10.826 1.00 65.51 N flip ATOM 0 H GLN A 57 2.987 8.178 -7.243 1.00 14.41 H new ATOM 0 HA GLN A 57 5.826 8.033 -6.522 1.00 51.41 H new ATOM 0 HB2 GLN A 57 4.001 10.339 -7.342 1.00 4.03 H new ATOM 0 HB3 GLN A 57 5.729 10.471 -7.082 1.00 4.03 H new ATOM 0 HG2 GLN A 57 6.148 8.888 -8.938 1.00 54.41 H new ATOM 0 HG3 GLN A 57 4.424 8.697 -9.182 1.00 54.41 H new ATOM 0 HE21 GLN A 57 6.510 9.793 -11.020 1.00 65.51 H new ATOM 0 HE22 GLN A 57 5.876 11.380 -11.467 1.00 65.51 H new ATOM 957 N PHE A 58 5.687 8.683 -4.144 1.00 42.14 N ATOM 958 CA PHE A 58 5.638 9.017 -2.708 1.00 1.14 C ATOM 959 C PHE A 58 6.396 10.321 -2.393 1.00 31.42 C ATOM 960 O PHE A 58 6.717 10.607 -1.237 1.00 21.42 O ATOM 961 CB PHE A 58 6.234 7.865 -1.887 1.00 31.44 C ATOM 962 CG PHE A 58 5.603 6.522 -2.174 1.00 62.32 C ATOM 963 CD1 PHE A 58 4.395 6.165 -1.593 1.00 11.42 C ATOM 964 CD2 PHE A 58 6.223 5.616 -3.026 1.00 31.41 C ATOM 965 CE1 PHE A 58 3.819 4.936 -1.853 1.00 64.51 C ATOM 966 CE2 PHE A 58 5.651 4.386 -3.289 1.00 63.31 C ATOM 967 CZ PHE A 58 4.448 4.046 -2.702 1.00 32.30 C ATOM 0 H PHE A 58 6.506 8.140 -4.417 1.00 42.14 H new ATOM 0 HA PHE A 58 4.592 9.167 -2.440 1.00 1.14 H new ATOM 0 HB2 PHE A 58 7.304 7.804 -2.087 1.00 31.44 H new ATOM 0 HB3 PHE A 58 6.121 8.090 -0.827 1.00 31.44 H new ATOM 0 HD1 PHE A 58 3.898 6.857 -0.929 1.00 11.42 H new ATOM 0 HD2 PHE A 58 7.164 5.877 -3.488 1.00 31.41 H new ATOM 0 HE1 PHE A 58 2.878 4.672 -1.393 1.00 64.51 H new ATOM 0 HE2 PHE A 58 6.144 3.691 -3.953 1.00 63.31 H new ATOM 0 HZ PHE A 58 3.999 3.085 -2.907 1.00 32.30 H new ATOM 977 N ASN A 59 6.673 11.114 -3.424 1.00 43.40 N ATOM 978 CA ASN A 59 7.421 12.369 -3.266 1.00 3.52 C ATOM 979 C ASN A 59 6.486 13.585 -3.123 1.00 40.12 C ATOM 980 O ASN A 59 6.833 14.699 -3.522 1.00 45.44 O ATOM 981 CB ASN A 59 8.361 12.556 -4.464 1.00 51.40 C ATOM 982 CG ASN A 59 7.631 12.488 -5.793 1.00 31.42 C ATOM 983 OD1 ASN A 59 7.482 11.420 -6.377 1.00 2.02 O ATOM 984 ND2 ASN A 59 7.158 13.620 -6.275 1.00 44.31 N ATOM 0 H ASN A 59 6.392 10.913 -4.384 1.00 43.40 H new ATOM 0 HA ASN A 59 8.003 12.303 -2.347 1.00 3.52 H new ATOM 0 HB2 ASN A 59 8.865 13.519 -4.379 1.00 51.40 H new ATOM 0 HB3 ASN A 59 9.134 11.788 -4.438 1.00 51.40 H new ATOM 0 HD21 ASN A 59 6.650 13.625 -7.160 1.00 44.31 H new ATOM 0 HD22 ASN A 59 7.300 14.491 -5.763 1.00 44.31 H new ATOM 991 N THR A 60 5.319 13.374 -2.520 1.00 25.03 N ATOM 992 CA THR A 60 4.319 14.445 -2.359 1.00 65.12 C ATOM 993 C THR A 60 3.650 14.407 -0.983 1.00 11.23 C ATOM 994 O THR A 60 3.682 13.394 -0.289 1.00 72.11 O ATOM 995 CB THR A 60 3.215 14.365 -3.442 1.00 2.30 C ATOM 996 OG1 THR A 60 2.128 15.248 -3.110 1.00 43.41 O ATOM 997 CG2 THR A 60 2.687 12.941 -3.590 1.00 31.34 C ATOM 0 H THR A 60 5.035 12.474 -2.132 1.00 25.03 H new ATOM 0 HA THR A 60 4.868 15.380 -2.464 1.00 65.12 H new ATOM 0 HB THR A 60 3.657 14.670 -4.390 1.00 2.30 H new ATOM 0 HG1 THR A 60 1.437 15.191 -3.802 1.00 43.41 H new ATOM 0 HG21 THR A 60 1.913 12.918 -4.358 1.00 31.34 H new ATOM 0 HG22 THR A 60 3.503 12.278 -3.877 1.00 31.34 H new ATOM 0 HG23 THR A 60 2.267 12.608 -2.641 1.00 31.34 H new ATOM 1005 N ASP A 61 3.030 15.522 -0.604 1.00 23.20 N ATOM 1006 CA ASP A 61 2.295 15.613 0.656 1.00 3.52 C ATOM 1007 C ASP A 61 0.994 14.793 0.592 1.00 13.11 C ATOM 1008 O ASP A 61 0.493 14.314 1.614 1.00 62.52 O ATOM 1009 CB ASP A 61 1.991 17.085 0.968 1.00 2.23 C ATOM 1010 CG ASP A 61 1.334 17.280 2.324 1.00 64.44 C ATOM 1011 OD1 ASP A 61 2.057 17.290 3.345 1.00 51.14 O ATOM 1012 OD2 ASP A 61 0.101 17.452 2.376 1.00 62.04 O ATOM 0 H ASP A 61 3.022 16.380 -1.155 1.00 23.20 H new ATOM 0 HA ASP A 61 2.911 15.198 1.454 1.00 3.52 H new ATOM 0 HB2 ASP A 61 2.918 17.657 0.934 1.00 2.23 H new ATOM 0 HB3 ASP A 61 1.339 17.488 0.193 1.00 2.23 H new ATOM 1017 N ARG A 62 0.463 14.617 -0.622 1.00 31.41 N ATOM 1018 CA ARG A 62 -0.785 13.866 -0.821 1.00 14.14 C ATOM 1019 C ARG A 62 -0.577 12.345 -0.719 1.00 42.01 C ATOM 1020 O ARG A 62 -1.526 11.604 -0.480 1.00 23.42 O ATOM 1021 CB ARG A 62 -1.417 14.207 -2.181 1.00 4.51 C ATOM 1022 CG ARG A 62 -1.965 15.630 -2.279 1.00 14.43 C ATOM 1023 CD ARG A 62 -2.702 15.865 -3.599 1.00 51.51 C ATOM 1024 NE ARG A 62 -3.319 17.191 -3.660 1.00 52.01 N ATOM 1025 CZ ARG A 62 -3.988 17.648 -4.685 1.00 31.52 C ATOM 1026 NH1 ARG A 62 -4.168 16.920 -5.740 1.00 14.13 N ATOM 1027 NH2 ARG A 62 -4.493 18.839 -4.645 1.00 72.32 N ATOM 0 H ARG A 62 0.875 14.982 -1.481 1.00 31.41 H new ATOM 0 HA ARG A 62 -1.459 14.167 -0.019 1.00 14.14 H new ATOM 0 HB2 ARG A 62 -0.671 14.063 -2.962 1.00 4.51 H new ATOM 0 HB3 ARG A 62 -2.226 13.504 -2.379 1.00 4.51 H new ATOM 0 HG2 ARG A 62 -2.643 15.817 -1.446 1.00 14.43 H new ATOM 0 HG3 ARG A 62 -1.145 16.342 -2.189 1.00 14.43 H new ATOM 0 HD2 ARG A 62 -2.003 15.753 -4.428 1.00 51.51 H new ATOM 0 HD3 ARG A 62 -3.471 15.102 -3.725 1.00 51.51 H new ATOM 0 HE ARG A 62 -3.220 17.799 -2.847 1.00 52.01 H new ATOM 0 HH11 ARG A 62 -3.785 15.975 -5.779 1.00 14.13 H new ATOM 0 HH12 ARG A 62 -4.693 17.291 -6.532 1.00 14.13 H new ATOM 0 HH21 ARG A 62 -4.368 19.418 -3.815 1.00 72.32 H new ATOM 0 HH22 ARG A 62 -5.016 19.198 -5.444 1.00 72.32 H new ATOM 1041 N ILE A 63 0.655 11.875 -0.907 1.00 11.34 N ATOM 1042 CA ILE A 63 0.946 10.433 -0.851 1.00 73.34 C ATOM 1043 C ILE A 63 2.134 10.137 0.078 1.00 24.24 C ATOM 1044 O ILE A 63 3.222 10.687 -0.088 1.00 44.05 O ATOM 1045 CB ILE A 63 1.255 9.860 -2.263 1.00 75.34 C ATOM 1046 CG1 ILE A 63 0.072 10.093 -3.222 1.00 32.11 C ATOM 1047 CG2 ILE A 63 1.595 8.371 -2.182 1.00 1.41 C ATOM 1048 CD1 ILE A 63 -1.211 9.408 -2.795 1.00 2.44 C ATOM 0 H ILE A 63 1.467 12.462 -1.099 1.00 11.34 H new ATOM 0 HA ILE A 63 0.052 9.950 -0.456 1.00 73.34 H new ATOM 0 HB ILE A 63 2.123 10.389 -2.658 1.00 75.34 H new ATOM 0 HG12 ILE A 63 -0.110 11.165 -3.304 1.00 32.11 H new ATOM 0 HG13 ILE A 63 0.348 9.739 -4.215 1.00 32.11 H new ATOM 0 HG21 ILE A 63 1.808 7.991 -3.181 1.00 1.41 H new ATOM 0 HG22 ILE A 63 2.470 8.232 -1.547 1.00 1.41 H new ATOM 0 HG23 ILE A 63 0.750 7.827 -1.760 1.00 1.41 H new ATOM 0 HD11 ILE A 63 -1.996 9.620 -3.521 1.00 2.44 H new ATOM 0 HD12 ILE A 63 -1.048 8.332 -2.741 1.00 2.44 H new ATOM 0 HD13 ILE A 63 -1.513 9.779 -1.816 1.00 2.44 H new ATOM 1060 N SER A 64 1.922 9.258 1.054 1.00 0.35 N ATOM 1061 CA SER A 64 2.978 8.887 2.008 1.00 11.54 C ATOM 1062 C SER A 64 2.866 7.412 2.417 1.00 14.11 C ATOM 1063 O SER A 64 1.768 6.882 2.571 1.00 74.43 O ATOM 1064 CB SER A 64 2.909 9.786 3.253 1.00 63.32 C ATOM 1065 OG SER A 64 3.109 11.155 2.916 1.00 32.23 O ATOM 0 H SER A 64 1.031 8.786 1.210 1.00 0.35 H new ATOM 0 HA SER A 64 3.940 9.030 1.516 1.00 11.54 H new ATOM 0 HB2 SER A 64 1.940 9.667 3.737 1.00 63.32 H new ATOM 0 HB3 SER A 64 3.665 9.472 3.973 1.00 63.32 H new ATOM 0 HG SER A 64 3.058 11.702 3.727 1.00 32.23 H new ATOM 1071 N LEU A 65 4.008 6.757 2.606 1.00 21.34 N ATOM 1072 CA LEU A 65 4.042 5.321 2.927 1.00 53.03 C ATOM 1073 C LEU A 65 5.028 5.021 4.065 1.00 75.20 C ATOM 1074 O LEU A 65 6.105 5.615 4.133 1.00 10.33 O ATOM 1075 CB LEU A 65 4.443 4.520 1.675 1.00 51.03 C ATOM 1076 CG LEU A 65 4.604 3.000 1.873 1.00 70.04 C ATOM 1077 CD1 LEU A 65 3.263 2.346 2.197 1.00 51.50 C ATOM 1078 CD2 LEU A 65 5.240 2.360 0.640 1.00 24.21 C ATOM 0 H LEU A 65 4.928 7.193 2.544 1.00 21.34 H new ATOM 0 HA LEU A 65 3.045 5.026 3.256 1.00 53.03 H new ATOM 0 HB2 LEU A 65 3.692 4.689 0.903 1.00 51.03 H new ATOM 0 HB3 LEU A 65 5.384 4.920 1.297 1.00 51.03 H new ATOM 0 HG LEU A 65 5.269 2.837 2.721 1.00 70.04 H new ATOM 0 HD11 LEU A 65 3.404 1.274 2.332 1.00 51.50 H new ATOM 0 HD12 LEU A 65 2.860 2.777 3.113 1.00 51.50 H new ATOM 0 HD13 LEU A 65 2.566 2.520 1.377 1.00 51.50 H new ATOM 0 HD21 LEU A 65 5.345 1.287 0.800 1.00 24.21 H new ATOM 0 HD22 LEU A 65 4.607 2.537 -0.229 1.00 24.21 H new ATOM 0 HD23 LEU A 65 6.223 2.799 0.468 1.00 24.21 H new ATOM 1090 N TYR A 66 4.652 4.117 4.970 1.00 22.34 N ATOM 1091 CA TYR A 66 5.579 3.639 6.001 1.00 31.04 C ATOM 1092 C TYR A 66 5.358 2.148 6.304 1.00 4.42 C ATOM 1093 O TYR A 66 4.247 1.629 6.168 1.00 53.23 O ATOM 1094 CB TYR A 66 5.455 4.478 7.285 1.00 61.02 C ATOM 1095 CG TYR A 66 4.234 4.181 8.135 1.00 3.01 C ATOM 1096 CD1 TYR A 66 2.998 4.753 7.848 1.00 10.21 C ATOM 1097 CD2 TYR A 66 4.323 3.338 9.240 1.00 63.33 C ATOM 1098 CE1 TYR A 66 1.892 4.491 8.635 1.00 72.33 C ATOM 1099 CE2 TYR A 66 3.226 3.075 10.029 1.00 63.24 C ATOM 1100 CZ TYR A 66 2.013 3.655 9.725 1.00 70.44 C ATOM 1101 OH TYR A 66 0.917 3.387 10.513 1.00 5.35 O ATOM 0 H TYR A 66 3.721 3.703 5.012 1.00 22.34 H new ATOM 0 HA TYR A 66 6.591 3.756 5.613 1.00 31.04 H new ATOM 0 HB2 TYR A 66 6.347 4.320 7.891 1.00 61.02 H new ATOM 0 HB3 TYR A 66 5.439 5.533 7.011 1.00 61.02 H new ATOM 0 HD1 TYR A 66 2.901 5.412 6.997 1.00 10.21 H new ATOM 0 HD2 TYR A 66 5.271 2.882 9.483 1.00 63.33 H new ATOM 0 HE1 TYR A 66 0.938 4.939 8.397 1.00 72.33 H new ATOM 0 HE2 TYR A 66 3.315 2.418 10.881 1.00 63.24 H new ATOM 0 HH TYR A 66 0.137 3.866 10.163 1.00 5.35 H new ATOM 1111 N GLN A 67 6.425 1.463 6.706 1.00 41.11 N ATOM 1112 CA GLN A 67 6.335 0.058 7.118 1.00 1.31 C ATOM 1113 C GLN A 67 6.938 -0.128 8.520 1.00 32.32 C ATOM 1114 O GLN A 67 8.086 0.245 8.772 1.00 24.14 O ATOM 1115 CB GLN A 67 7.032 -0.848 6.083 1.00 44.42 C ATOM 1116 CG GLN A 67 8.538 -0.623 5.957 1.00 23.24 C ATOM 1117 CD GLN A 67 9.147 -1.338 4.761 1.00 73.53 C ATOM 1118 OE1 GLN A 67 9.294 -0.767 3.685 1.00 21.31 O ATOM 1119 NE2 GLN A 67 9.478 -2.600 4.928 1.00 23.02 N ATOM 0 H GLN A 67 7.365 1.855 6.757 1.00 41.11 H new ATOM 0 HA GLN A 67 5.285 -0.231 7.165 1.00 1.31 H new ATOM 0 HB2 GLN A 67 6.854 -1.889 6.352 1.00 44.42 H new ATOM 0 HB3 GLN A 67 6.571 -0.687 5.109 1.00 44.42 H new ATOM 0 HG2 GLN A 67 8.734 0.446 5.873 1.00 23.24 H new ATOM 0 HG3 GLN A 67 9.029 -0.967 6.868 1.00 23.24 H new ATOM 0 HE21 GLN A 67 9.344 -3.047 5.835 1.00 23.02 H new ATOM 0 HE22 GLN A 67 9.869 -3.132 4.150 1.00 23.02 H new ATOM 1128 N ASP A 68 6.150 -0.684 9.434 1.00 34.23 N ATOM 1129 CA ASP A 68 6.564 -0.834 10.831 1.00 62.32 C ATOM 1130 C ASP A 68 7.481 -2.061 11.018 1.00 33.51 C ATOM 1131 O ASP A 68 7.454 -3.001 10.219 1.00 41.22 O ATOM 1132 CB ASP A 68 5.317 -0.946 11.720 1.00 3.44 C ATOM 1133 CG ASP A 68 5.642 -0.857 13.201 1.00 20.02 C ATOM 1134 OD1 ASP A 68 5.664 0.262 13.744 1.00 21.55 O ATOM 1135 OD2 ASP A 68 5.882 -1.909 13.825 1.00 3.55 O ATOM 0 H ASP A 68 5.216 -1.041 9.234 1.00 34.23 H new ATOM 0 HA ASP A 68 7.139 0.045 11.122 1.00 62.32 H new ATOM 0 HB2 ASP A 68 4.617 -0.153 11.458 1.00 3.44 H new ATOM 0 HB3 ASP A 68 4.816 -1.893 11.519 1.00 3.44 H new ATOM 1140 N ASN A 69 8.273 -2.053 12.092 1.00 43.24 N ATOM 1141 CA ASN A 69 9.223 -3.140 12.373 1.00 11.40 C ATOM 1142 C ASN A 69 8.505 -4.475 12.645 1.00 22.24 C ATOM 1143 O ASN A 69 9.063 -5.549 12.409 1.00 71.53 O ATOM 1144 CB ASN A 69 10.114 -2.767 13.565 1.00 34.22 C ATOM 1145 CG ASN A 69 10.923 -1.511 13.300 1.00 24.22 C ATOM 1146 OD1 ASN A 69 10.465 -0.399 13.548 1.00 70.31 O ATOM 1147 ND2 ASN A 69 12.129 -1.673 12.795 1.00 52.41 N ATOM 0 H ASN A 69 8.278 -1.305 12.785 1.00 43.24 H new ATOM 0 HA ASN A 69 9.841 -3.274 11.486 1.00 11.40 H new ATOM 0 HB2 ASN A 69 9.493 -2.619 14.449 1.00 34.22 H new ATOM 0 HB3 ASN A 69 10.790 -3.594 13.785 1.00 34.22 H new ATOM 0 HD21 ASN A 69 12.713 -0.860 12.598 1.00 52.41 H new ATOM 0 HD22 ASN A 69 12.479 -2.611 12.601 1.00 52.41 H new ATOM 1154 N THR A 70 7.269 -4.397 13.140 1.00 4.22 N ATOM 1155 CA THR A 70 6.438 -5.590 13.377 1.00 44.30 C ATOM 1156 C THR A 70 6.011 -6.249 12.058 1.00 10.41 C ATOM 1157 O THR A 70 5.579 -7.407 12.031 1.00 13.44 O ATOM 1158 CB THR A 70 5.161 -5.242 14.182 1.00 1.21 C ATOM 1159 OG1 THR A 70 4.372 -4.279 13.462 1.00 13.11 O ATOM 1160 CG2 THR A 70 5.512 -4.689 15.562 1.00 52.42 C ATOM 0 H THR A 70 6.815 -3.518 13.387 1.00 4.22 H new ATOM 0 HA THR A 70 7.054 -6.283 13.950 1.00 44.30 H new ATOM 0 HB THR A 70 4.587 -6.159 14.315 1.00 1.21 H new ATOM 0 HG1 THR A 70 4.800 -3.399 13.517 1.00 13.11 H new ATOM 0 HG21 THR A 70 4.596 -4.454 16.104 1.00 52.42 H new ATOM 0 HG22 THR A 70 6.081 -5.434 16.118 1.00 52.42 H new ATOM 0 HG23 THR A 70 6.110 -3.784 15.450 1.00 52.42 H new ATOM 1168 N GLY A 71 6.140 -5.506 10.960 1.00 34.50 N ATOM 1169 CA GLY A 71 5.759 -6.014 9.649 1.00 53.40 C ATOM 1170 C GLY A 71 4.471 -5.398 9.112 1.00 22.13 C ATOM 1171 O GLY A 71 3.922 -5.873 8.119 1.00 64.43 O ATOM 0 H GLY A 71 6.505 -4.553 10.955 1.00 34.50 H new ATOM 0 HA2 GLY A 71 6.567 -5.821 8.944 1.00 53.40 H new ATOM 0 HA3 GLY A 71 5.639 -7.096 9.707 1.00 53.40 H new ATOM 1175 N ARG A 72 3.979 -4.344 9.765 1.00 53.34 N ATOM 1176 CA ARG A 72 2.752 -3.673 9.317 1.00 21.11 C ATOM 1177 C ARG A 72 3.048 -2.645 8.218 1.00 52.24 C ATOM 1178 O ARG A 72 3.694 -1.628 8.464 1.00 30.45 O ATOM 1179 CB ARG A 72 2.042 -2.970 10.485 1.00 62.21 C ATOM 1180 CG ARG A 72 0.632 -2.487 10.131 1.00 33.20 C ATOM 1181 CD ARG A 72 0.023 -1.614 11.226 1.00 73.31 C ATOM 1182 NE ARG A 72 0.618 -0.278 11.257 1.00 13.23 N ATOM 1183 CZ ARG A 72 1.143 0.268 12.322 1.00 13.02 C ATOM 1184 NH1 ARG A 72 1.188 -0.378 13.442 1.00 52.21 N ATOM 1185 NH2 ARG A 72 1.617 1.466 12.264 1.00 20.02 N ATOM 0 H ARG A 72 4.404 -3.938 10.598 1.00 53.34 H new ATOM 0 HA ARG A 72 2.098 -4.447 8.915 1.00 21.11 H new ATOM 0 HB2 ARG A 72 1.983 -3.655 11.331 1.00 62.21 H new ATOM 0 HB3 ARG A 72 2.641 -2.118 10.806 1.00 62.21 H new ATOM 0 HG2 ARG A 72 0.667 -1.923 9.199 1.00 33.20 H new ATOM 0 HG3 ARG A 72 -0.012 -3.349 9.958 1.00 33.20 H new ATOM 0 HD2 ARG A 72 -1.052 -1.528 11.065 1.00 73.31 H new ATOM 0 HD3 ARG A 72 0.163 -2.096 12.194 1.00 73.31 H new ATOM 0 HE ARG A 72 0.623 0.262 10.392 1.00 13.23 H new ATOM 0 HH11 ARG A 72 0.811 -1.324 13.501 1.00 52.21 H new ATOM 0 HH12 ARG A 72 1.600 0.059 14.266 1.00 52.21 H new ATOM 0 HH21 ARG A 72 1.582 1.986 11.387 1.00 20.02 H new ATOM 0 HH22 ARG A 72 2.027 1.893 13.095 1.00 20.02 H new ATOM 1199 N VAL A 73 2.564 -2.909 7.011 1.00 42.32 N ATOM 1200 CA VAL A 73 2.692 -1.962 5.902 1.00 72.12 C ATOM 1201 C VAL A 73 1.443 -1.079 5.818 1.00 31.22 C ATOM 1202 O VAL A 73 0.321 -1.585 5.744 1.00 41.34 O ATOM 1203 CB VAL A 73 2.889 -2.699 4.555 1.00 61.55 C ATOM 1204 CG1 VAL A 73 3.043 -1.702 3.408 1.00 74.04 C ATOM 1205 CG2 VAL A 73 4.094 -3.635 4.630 1.00 61.50 C ATOM 0 H VAL A 73 2.077 -3.773 6.771 1.00 42.32 H new ATOM 0 HA VAL A 73 3.569 -1.344 6.091 1.00 72.12 H new ATOM 0 HB VAL A 73 2.001 -3.300 4.359 1.00 61.55 H new ATOM 0 HG11 VAL A 73 3.180 -2.243 2.472 1.00 74.04 H new ATOM 0 HG12 VAL A 73 2.148 -1.083 3.342 1.00 74.04 H new ATOM 0 HG13 VAL A 73 3.910 -1.068 3.591 1.00 74.04 H new ATOM 0 HG21 VAL A 73 4.218 -4.145 3.675 1.00 61.50 H new ATOM 0 HG22 VAL A 73 4.991 -3.057 4.852 1.00 61.50 H new ATOM 0 HG23 VAL A 73 3.934 -4.372 5.417 1.00 61.50 H new ATOM 1215 N THR A 74 1.632 0.240 5.841 1.00 73.14 N ATOM 1216 CA THR A 74 0.498 1.174 5.869 1.00 3.24 C ATOM 1217 C THR A 74 0.683 2.340 4.887 1.00 43.33 C ATOM 1218 O THR A 74 1.631 3.122 4.998 1.00 62.30 O ATOM 1219 CB THR A 74 0.279 1.743 7.293 1.00 62.55 C ATOM 1220 OG1 THR A 74 0.134 0.667 8.238 1.00 13.04 O ATOM 1221 CG2 THR A 74 -0.961 2.636 7.352 1.00 64.04 C ATOM 0 H THR A 74 2.549 0.687 5.841 1.00 73.14 H new ATOM 0 HA THR A 74 -0.378 0.601 5.565 1.00 3.24 H new ATOM 0 HB THR A 74 1.152 2.345 7.547 1.00 62.55 H new ATOM 0 HG1 THR A 74 -0.565 0.893 8.886 1.00 13.04 H new ATOM 0 HG21 THR A 74 -1.086 3.019 8.365 1.00 64.04 H new ATOM 0 HG22 THR A 74 -0.842 3.470 6.661 1.00 64.04 H new ATOM 0 HG23 THR A 74 -1.841 2.056 7.072 1.00 64.04 H new ATOM 1229 N LEU A 75 -0.233 2.444 3.927 1.00 43.21 N ATOM 1230 CA LEU A 75 -0.233 3.534 2.947 1.00 12.31 C ATOM 1231 C LEU A 75 -1.194 4.658 3.378 1.00 21.32 C ATOM 1232 O LEU A 75 -2.384 4.419 3.601 1.00 3.31 O ATOM 1233 CB LEU A 75 -0.638 2.993 1.566 1.00 54.51 C ATOM 1234 CG LEU A 75 -0.666 4.030 0.428 1.00 20.40 C ATOM 1235 CD1 LEU A 75 0.712 4.656 0.220 1.00 60.12 C ATOM 1236 CD2 LEU A 75 -1.172 3.396 -0.870 1.00 72.21 C ATOM 0 H LEU A 75 -0.996 1.778 3.804 1.00 43.21 H new ATOM 0 HA LEU A 75 0.773 3.949 2.890 1.00 12.31 H new ATOM 0 HB2 LEU A 75 0.053 2.196 1.291 1.00 54.51 H new ATOM 0 HB3 LEU A 75 -1.627 2.543 1.648 1.00 54.51 H new ATOM 0 HG LEU A 75 -1.356 4.823 0.715 1.00 20.40 H new ATOM 0 HD11 LEU A 75 0.662 5.384 -0.590 1.00 60.12 H new ATOM 0 HD12 LEU A 75 1.028 5.154 1.137 1.00 60.12 H new ATOM 0 HD13 LEU A 75 1.430 3.877 -0.036 1.00 60.12 H new ATOM 0 HD21 LEU A 75 -1.184 4.146 -1.661 1.00 72.21 H new ATOM 0 HD22 LEU A 75 -0.512 2.577 -1.156 1.00 72.21 H new ATOM 0 HD23 LEU A 75 -2.181 3.013 -0.718 1.00 72.21 H new ATOM 1248 N LEU A 76 -0.669 5.876 3.494 1.00 24.24 N ATOM 1249 CA LEU A 76 -1.466 7.044 3.891 1.00 74.15 C ATOM 1250 C LEU A 76 -1.685 7.995 2.703 1.00 0.11 C ATOM 1251 O LEU A 76 -0.740 8.613 2.203 1.00 3.24 O ATOM 1252 CB LEU A 76 -0.763 7.794 5.033 1.00 22.25 C ATOM 1253 CG LEU A 76 -0.482 6.959 6.296 1.00 1.12 C ATOM 1254 CD1 LEU A 76 0.300 7.772 7.318 1.00 22.34 C ATOM 1255 CD2 LEU A 76 -1.780 6.440 6.908 1.00 3.15 C ATOM 0 H LEU A 76 0.314 6.085 3.318 1.00 24.24 H new ATOM 0 HA LEU A 76 -2.439 6.691 4.231 1.00 74.15 H new ATOM 0 HB2 LEU A 76 0.183 8.186 4.659 1.00 22.25 H new ATOM 0 HB3 LEU A 76 -1.375 8.651 5.313 1.00 22.25 H new ATOM 0 HG LEU A 76 0.123 6.101 6.002 1.00 1.12 H new ATOM 0 HD11 LEU A 76 0.487 7.162 8.202 1.00 22.34 H new ATOM 0 HD12 LEU A 76 1.250 8.084 6.885 1.00 22.34 H new ATOM 0 HD13 LEU A 76 -0.277 8.653 7.600 1.00 22.34 H new ATOM 0 HD21 LEU A 76 -1.553 5.854 7.798 1.00 3.15 H new ATOM 0 HD22 LEU A 76 -2.416 7.282 7.180 1.00 3.15 H new ATOM 0 HD23 LEU A 76 -2.299 5.813 6.183 1.00 3.15 H new ATOM 1267 N ILE A 77 -2.931 8.104 2.253 1.00 43.54 N ATOM 1268 CA ILE A 77 -3.273 8.972 1.122 1.00 40.43 C ATOM 1269 C ILE A 77 -4.082 10.195 1.586 1.00 12.35 C ATOM 1270 O ILE A 77 -5.177 10.060 2.129 1.00 41.43 O ATOM 1271 CB ILE A 77 -4.063 8.187 0.045 1.00 11.52 C ATOM 1272 CG1 ILE A 77 -3.236 6.982 -0.442 1.00 3.24 C ATOM 1273 CG2 ILE A 77 -4.436 9.096 -1.125 1.00 54.23 C ATOM 1274 CD1 ILE A 77 -3.943 6.114 -1.460 1.00 2.33 C ATOM 0 H ILE A 77 -3.725 7.603 2.652 1.00 43.54 H new ATOM 0 HA ILE A 77 -2.340 9.325 0.683 1.00 40.43 H new ATOM 0 HB ILE A 77 -4.987 7.819 0.490 1.00 11.52 H new ATOM 0 HG12 ILE A 77 -2.305 7.346 -0.876 1.00 3.24 H new ATOM 0 HG13 ILE A 77 -2.968 6.368 0.418 1.00 3.24 H new ATOM 0 HG21 ILE A 77 -4.990 8.523 -1.869 1.00 54.23 H new ATOM 0 HG22 ILE A 77 -5.055 9.917 -0.765 1.00 54.23 H new ATOM 0 HG23 ILE A 77 -3.529 9.497 -1.578 1.00 54.23 H new ATOM 0 HD11 ILE A 77 -3.292 5.289 -1.750 1.00 2.33 H new ATOM 0 HD12 ILE A 77 -4.860 5.717 -1.025 1.00 2.33 H new ATOM 0 HD13 ILE A 77 -4.187 6.710 -2.339 1.00 2.33 H new ATOM 1286 N LYS A 78 -3.521 11.382 1.372 1.00 25.24 N ATOM 1287 CA LYS A 78 -4.115 12.644 1.840 1.00 43.40 C ATOM 1288 C LYS A 78 -4.597 13.531 0.681 1.00 53.34 C ATOM 1289 O LYS A 78 -4.024 13.510 -0.407 1.00 14.04 O ATOM 1290 CB LYS A 78 -3.077 13.424 2.655 1.00 11.15 C ATOM 1291 CG LYS A 78 -2.682 12.762 3.967 1.00 51.02 C ATOM 1292 CD LYS A 78 -1.483 13.461 4.600 1.00 53.01 C ATOM 1293 CE LYS A 78 -1.309 13.080 6.063 1.00 2.24 C ATOM 1294 NZ LYS A 78 -2.369 13.674 6.923 1.00 62.03 N ATOM 0 H LYS A 78 -2.641 11.503 0.870 1.00 25.24 H new ATOM 0 HA LYS A 78 -4.981 12.387 2.450 1.00 43.40 H new ATOM 0 HB2 LYS A 78 -2.183 13.560 2.047 1.00 11.15 H new ATOM 0 HB3 LYS A 78 -3.472 14.418 2.868 1.00 11.15 H new ATOM 0 HG2 LYS A 78 -3.525 12.785 4.657 1.00 51.02 H new ATOM 0 HG3 LYS A 78 -2.443 11.713 3.790 1.00 51.02 H new ATOM 0 HD2 LYS A 78 -0.579 13.202 4.048 1.00 53.01 H new ATOM 0 HD3 LYS A 78 -1.608 14.541 4.519 1.00 53.01 H new ATOM 0 HE2 LYS A 78 -1.329 11.995 6.160 1.00 2.24 H new ATOM 0 HE3 LYS A 78 -0.331 13.413 6.411 1.00 2.24 H new ATOM 0 HZ1 LYS A 78 -2.083 13.610 7.921 1.00 62.03 H new ATOM 0 HZ2 LYS A 78 -2.506 14.672 6.666 1.00 62.03 H new ATOM 0 HZ3 LYS A 78 -3.260 13.155 6.784 1.00 62.03 H new ATOM 1308 N ASP A 79 -5.654 14.313 0.934 1.00 72.14 N ATOM 1309 CA ASP A 79 -6.105 15.364 0.002 1.00 1.23 C ATOM 1310 C ASP A 79 -6.384 14.789 -1.406 1.00 21.24 C ATOM 1311 O ASP A 79 -6.224 15.469 -2.423 1.00 55.14 O ATOM 1312 CB ASP A 79 -5.034 16.473 -0.043 1.00 51.02 C ATOM 1313 CG ASP A 79 -5.547 17.802 -0.579 1.00 3.43 C ATOM 1314 OD1 ASP A 79 -6.531 18.335 -0.022 1.00 21.04 O ATOM 1315 OD2 ASP A 79 -4.940 18.344 -1.526 1.00 65.42 O ATOM 0 H ASP A 79 -6.218 14.240 1.781 1.00 72.14 H new ATOM 0 HA ASP A 79 -7.047 15.784 0.356 1.00 1.23 H new ATOM 0 HB2 ASP A 79 -4.640 16.625 0.962 1.00 51.02 H new ATOM 0 HB3 ASP A 79 -4.203 16.138 -0.664 1.00 51.02 H new ATOM 1320 N VAL A 80 -6.847 13.543 -1.440 1.00 21.13 N ATOM 1321 CA VAL A 80 -7.032 12.799 -2.696 1.00 40.21 C ATOM 1322 C VAL A 80 -8.324 13.207 -3.440 1.00 52.35 C ATOM 1323 O VAL A 80 -9.286 13.675 -2.827 1.00 33.33 O ATOM 1324 CB VAL A 80 -7.054 11.273 -2.415 1.00 33.42 C ATOM 1325 CG1 VAL A 80 -8.336 10.857 -1.699 1.00 74.02 C ATOM 1326 CG2 VAL A 80 -6.874 10.474 -3.696 1.00 0.55 C ATOM 0 H VAL A 80 -7.105 13.017 -0.605 1.00 21.13 H new ATOM 0 HA VAL A 80 -6.189 13.048 -3.340 1.00 40.21 H new ATOM 0 HB VAL A 80 -6.214 11.053 -1.756 1.00 33.42 H new ATOM 0 HG11 VAL A 80 -8.319 9.782 -1.517 1.00 74.02 H new ATOM 0 HG12 VAL A 80 -8.409 11.385 -0.748 1.00 74.02 H new ATOM 0 HG13 VAL A 80 -9.197 11.107 -2.320 1.00 74.02 H new ATOM 0 HG21 VAL A 80 -6.894 9.409 -3.466 1.00 0.55 H new ATOM 0 HG22 VAL A 80 -7.681 10.711 -4.389 1.00 0.55 H new ATOM 0 HG23 VAL A 80 -5.918 10.729 -4.152 1.00 0.55 H new ATOM 1336 N ASN A 81 -8.323 13.048 -4.769 1.00 63.34 N ATOM 1337 CA ASN A 81 -9.518 13.300 -5.598 1.00 12.31 C ATOM 1338 C ASN A 81 -9.895 12.065 -6.453 1.00 34.11 C ATOM 1339 O ASN A 81 -9.212 11.042 -6.421 1.00 42.42 O ATOM 1340 CB ASN A 81 -9.294 14.527 -6.491 1.00 42.44 C ATOM 1341 CG ASN A 81 -7.940 14.512 -7.169 1.00 51.44 C ATOM 1342 OD1 ASN A 81 -6.978 15.089 -6.672 1.00 1.04 O ATOM 1343 ND2 ASN A 81 -7.849 13.850 -8.301 1.00 42.53 N ATOM 0 H ASN A 81 -7.506 12.745 -5.299 1.00 63.34 H new ATOM 0 HA ASN A 81 -10.353 13.497 -4.926 1.00 12.31 H new ATOM 0 HB2 ASN A 81 -10.076 14.568 -7.249 1.00 42.44 H new ATOM 0 HB3 ASN A 81 -9.386 15.431 -5.890 1.00 42.44 H new ATOM 0 HD21 ASN A 81 -6.958 13.804 -8.795 1.00 42.53 H new ATOM 0 HD22 ASN A 81 -8.670 13.382 -8.685 1.00 42.53 H new ATOM 1350 N LYS A 82 -10.981 12.182 -7.228 1.00 4.13 N ATOM 1351 CA LYS A 82 -11.523 11.059 -8.027 1.00 50.24 C ATOM 1352 C LYS A 82 -10.458 10.315 -8.857 1.00 71.53 C ATOM 1353 O LYS A 82 -10.348 9.087 -8.783 1.00 21.45 O ATOM 1354 CB LYS A 82 -12.612 11.567 -8.979 1.00 74.34 C ATOM 1355 CG LYS A 82 -13.903 11.997 -8.295 1.00 62.15 C ATOM 1356 CD LYS A 82 -14.634 10.822 -7.650 1.00 71.23 C ATOM 1357 CE LYS A 82 -16.073 11.180 -7.311 1.00 14.34 C ATOM 1358 NZ LYS A 82 -16.819 11.668 -8.499 1.00 2.03 N ATOM 0 H LYS A 82 -11.510 13.049 -7.323 1.00 4.13 H new ATOM 0 HA LYS A 82 -11.927 10.351 -7.304 1.00 50.24 H new ATOM 0 HB2 LYS A 82 -12.217 12.411 -9.544 1.00 74.34 H new ATOM 0 HB3 LYS A 82 -12.842 10.781 -9.699 1.00 74.34 H new ATOM 0 HG2 LYS A 82 -13.677 12.744 -7.534 1.00 62.15 H new ATOM 0 HG3 LYS A 82 -14.558 12.473 -9.025 1.00 62.15 H new ATOM 0 HD2 LYS A 82 -14.620 9.968 -8.327 1.00 71.23 H new ATOM 0 HD3 LYS A 82 -14.110 10.519 -6.744 1.00 71.23 H new ATOM 0 HE2 LYS A 82 -16.577 10.305 -6.900 1.00 14.34 H new ATOM 0 HE3 LYS A 82 -16.083 11.947 -6.536 1.00 14.34 H new ATOM 0 HZ1 LYS A 82 -17.835 11.486 -8.370 1.00 2.03 H new ATOM 0 HZ2 LYS A 82 -16.662 12.690 -8.612 1.00 2.03 H new ATOM 0 HZ3 LYS A 82 -16.484 11.170 -9.348 1.00 2.03 H new ATOM 1372 N LYS A 83 -9.703 11.060 -9.666 1.00 54.23 N ATOM 1373 CA LYS A 83 -8.710 10.470 -10.585 1.00 60.44 C ATOM 1374 C LYS A 83 -7.732 9.512 -9.878 1.00 21.20 C ATOM 1375 O LYS A 83 -7.251 8.549 -10.478 1.00 73.00 O ATOM 1376 CB LYS A 83 -7.914 11.579 -11.295 1.00 44.41 C ATOM 1377 CG LYS A 83 -8.774 12.548 -12.103 1.00 72.32 C ATOM 1378 CD LYS A 83 -9.634 11.829 -13.144 1.00 40.51 C ATOM 1379 CE LYS A 83 -10.371 12.815 -14.051 1.00 53.30 C ATOM 1380 NZ LYS A 83 -11.214 13.773 -13.281 1.00 23.04 N ATOM 0 H LYS A 83 -9.756 12.078 -9.708 1.00 54.23 H new ATOM 0 HA LYS A 83 -9.272 9.885 -11.313 1.00 60.44 H new ATOM 0 HB2 LYS A 83 -7.354 12.143 -10.549 1.00 44.41 H new ATOM 0 HB3 LYS A 83 -7.184 11.118 -11.960 1.00 44.41 H new ATOM 0 HG2 LYS A 83 -9.419 13.109 -11.427 1.00 72.32 H new ATOM 0 HG3 LYS A 83 -8.130 13.272 -12.603 1.00 72.32 H new ATOM 0 HD2 LYS A 83 -9.003 11.179 -13.750 1.00 40.51 H new ATOM 0 HD3 LYS A 83 -10.358 11.189 -12.639 1.00 40.51 H new ATOM 0 HE2 LYS A 83 -9.645 13.370 -14.645 1.00 53.30 H new ATOM 0 HE3 LYS A 83 -10.999 12.262 -14.750 1.00 53.30 H new ATOM 0 HZ1 LYS A 83 -11.771 14.353 -13.941 1.00 23.04 H new ATOM 0 HZ2 LYS A 83 -11.857 13.245 -12.656 1.00 23.04 H new ATOM 0 HZ3 LYS A 83 -10.603 14.390 -12.708 1.00 23.04 H new ATOM 1394 N ASP A 84 -7.457 9.768 -8.602 1.00 4.21 N ATOM 1395 CA ASP A 84 -6.476 8.981 -7.847 1.00 32.33 C ATOM 1396 C ASP A 84 -7.060 7.678 -7.270 1.00 55.04 C ATOM 1397 O ASP A 84 -6.355 6.923 -6.595 1.00 21.24 O ATOM 1398 CB ASP A 84 -5.870 9.826 -6.728 1.00 21.02 C ATOM 1399 CG ASP A 84 -5.098 11.017 -7.266 1.00 51.33 C ATOM 1400 OD1 ASP A 84 -3.916 10.847 -7.640 1.00 41.43 O ATOM 1401 OD2 ASP A 84 -5.669 12.125 -7.317 1.00 41.45 O ATOM 0 H ASP A 84 -7.898 10.515 -8.065 1.00 4.21 H new ATOM 0 HA ASP A 84 -5.699 8.690 -8.554 1.00 32.33 H new ATOM 0 HB2 ASP A 84 -6.664 10.177 -6.069 1.00 21.02 H new ATOM 0 HB3 ASP A 84 -5.206 9.206 -6.125 1.00 21.02 H new ATOM 1406 N ALA A 85 -8.339 7.409 -7.516 1.00 13.01 N ATOM 1407 CA ALA A 85 -8.925 6.136 -7.089 1.00 50.32 C ATOM 1408 C ALA A 85 -8.601 5.033 -8.107 1.00 21.23 C ATOM 1409 O ALA A 85 -8.616 5.264 -9.318 1.00 24.24 O ATOM 1410 CB ALA A 85 -10.433 6.277 -6.924 1.00 73.40 C ATOM 0 H ALA A 85 -8.981 8.038 -7.998 1.00 13.01 H new ATOM 0 HA ALA A 85 -8.494 5.859 -6.127 1.00 50.32 H new ATOM 0 HB1 ALA A 85 -10.855 5.323 -6.606 1.00 73.40 H new ATOM 0 HB2 ALA A 85 -10.647 7.037 -6.173 1.00 73.40 H new ATOM 0 HB3 ALA A 85 -10.877 6.572 -7.875 1.00 73.40 H new ATOM 1416 N GLY A 86 -8.327 3.832 -7.613 1.00 32.51 N ATOM 1417 CA GLY A 86 -7.956 2.730 -8.493 1.00 53.32 C ATOM 1418 C GLY A 86 -7.626 1.452 -7.736 1.00 45.30 C ATOM 1419 O GLY A 86 -7.820 1.369 -6.518 1.00 51.12 O ATOM 0 H GLY A 86 -8.354 3.597 -6.621 1.00 32.51 H new ATOM 0 HA2 GLY A 86 -8.774 2.534 -9.186 1.00 53.32 H new ATOM 0 HA3 GLY A 86 -7.094 3.024 -9.092 1.00 53.32 H new ATOM 1423 N TRP A 87 -7.124 0.457 -8.462 1.00 75.30 N ATOM 1424 CA TRP A 87 -6.588 -0.759 -7.847 1.00 21.32 C ATOM 1425 C TRP A 87 -5.067 -0.645 -7.641 1.00 21.21 C ATOM 1426 O TRP A 87 -4.307 -0.456 -8.591 1.00 34.13 O ATOM 1427 CB TRP A 87 -6.920 -1.996 -8.701 1.00 14.32 C ATOM 1428 CG TRP A 87 -8.356 -2.433 -8.588 1.00 4.43 C ATOM 1429 CD1 TRP A 87 -9.423 -1.944 -9.284 1.00 54.25 C ATOM 1430 CD2 TRP A 87 -8.873 -3.448 -7.719 1.00 22.20 C ATOM 1431 NE1 TRP A 87 -10.571 -2.591 -8.898 1.00 42.45 N ATOM 1432 CE2 TRP A 87 -10.261 -3.518 -7.941 1.00 13.12 C ATOM 1433 CE3 TRP A 87 -8.298 -4.304 -6.777 1.00 45.14 C ATOM 1434 CZ2 TRP A 87 -11.082 -4.410 -7.254 1.00 1.52 C ATOM 1435 CZ3 TRP A 87 -9.112 -5.190 -6.095 1.00 51.51 C ATOM 1436 CH2 TRP A 87 -10.493 -5.237 -6.337 1.00 43.25 C ATOM 0 H TRP A 87 -7.076 0.467 -9.481 1.00 75.30 H new ATOM 0 HA TRP A 87 -7.060 -0.876 -6.871 1.00 21.32 H new ATOM 0 HB2 TRP A 87 -6.695 -1.778 -9.745 1.00 14.32 H new ATOM 0 HB3 TRP A 87 -6.273 -2.820 -8.401 1.00 14.32 H new ATOM 0 HD1 TRP A 87 -9.372 -1.163 -10.029 1.00 54.25 H new ATOM 0 HE1 TRP A 87 -11.505 -2.410 -9.266 1.00 42.45 H new ATOM 0 HE3 TRP A 87 -7.236 -4.275 -6.584 1.00 45.14 H new ATOM 0 HZ2 TRP A 87 -12.145 -4.447 -7.439 1.00 1.52 H new ATOM 0 HZ3 TRP A 87 -8.678 -5.856 -5.364 1.00 51.51 H new ATOM 0 HH2 TRP A 87 -11.103 -5.940 -5.789 1.00 43.25 H new ATOM 1447 N TYR A 88 -4.640 -0.748 -6.386 1.00 61.24 N ATOM 1448 CA TYR A 88 -3.221 -0.710 -6.026 1.00 71.12 C ATOM 1449 C TYR A 88 -2.639 -2.126 -5.926 1.00 23.31 C ATOM 1450 O TYR A 88 -3.082 -2.934 -5.111 1.00 21.32 O ATOM 1451 CB TYR A 88 -3.035 0.009 -4.681 1.00 43.32 C ATOM 1452 CG TYR A 88 -3.426 1.476 -4.697 1.00 35.11 C ATOM 1453 CD1 TYR A 88 -4.756 1.864 -4.819 1.00 31.13 C ATOM 1454 CD2 TYR A 88 -2.461 2.472 -4.582 1.00 24.41 C ATOM 1455 CE1 TYR A 88 -5.112 3.198 -4.828 1.00 20.32 C ATOM 1456 CE2 TYR A 88 -2.813 3.809 -4.590 1.00 43.45 C ATOM 1457 CZ TYR A 88 -4.139 4.166 -4.714 1.00 4.45 C ATOM 1458 OH TYR A 88 -4.495 5.495 -4.724 1.00 22.34 O ATOM 0 H TYR A 88 -5.265 -0.860 -5.588 1.00 61.24 H new ATOM 0 HA TYR A 88 -2.692 -0.167 -6.810 1.00 71.12 H new ATOM 0 HB2 TYR A 88 -3.627 -0.504 -3.923 1.00 43.32 H new ATOM 0 HB3 TYR A 88 -1.991 -0.073 -4.380 1.00 43.32 H new ATOM 0 HD1 TYR A 88 -5.523 1.109 -4.908 1.00 31.13 H new ATOM 0 HD2 TYR A 88 -1.421 2.196 -4.485 1.00 24.41 H new ATOM 0 HE1 TYR A 88 -6.150 3.481 -4.924 1.00 20.32 H new ATOM 0 HE2 TYR A 88 -2.053 4.571 -4.500 1.00 43.45 H new ATOM 0 HH TYR A 88 -5.109 5.664 -5.469 1.00 22.34 H new ATOM 1468 N THR A 89 -1.649 -2.426 -6.752 1.00 44.03 N ATOM 1469 CA THR A 89 -0.959 -3.714 -6.694 1.00 71.02 C ATOM 1470 C THR A 89 0.349 -3.581 -5.903 1.00 55.01 C ATOM 1471 O THR A 89 1.298 -2.932 -6.355 1.00 22.24 O ATOM 1472 CB THR A 89 -0.640 -4.252 -8.112 1.00 31.32 C ATOM 1473 OG1 THR A 89 -1.830 -4.276 -8.922 1.00 50.21 O ATOM 1474 CG2 THR A 89 -0.049 -5.655 -8.043 1.00 70.11 C ATOM 0 H THR A 89 -1.301 -1.795 -7.474 1.00 44.03 H new ATOM 0 HA THR A 89 -1.625 -4.418 -6.195 1.00 71.02 H new ATOM 0 HB THR A 89 0.092 -3.582 -8.563 1.00 31.32 H new ATOM 0 HG1 THR A 89 -1.611 -4.617 -9.815 1.00 50.21 H new ATOM 0 HG21 THR A 89 0.166 -6.009 -9.051 1.00 70.11 H new ATOM 0 HG22 THR A 89 0.873 -5.633 -7.462 1.00 70.11 H new ATOM 0 HG23 THR A 89 -0.762 -6.327 -7.567 1.00 70.11 H new ATOM 1482 N VAL A 90 0.392 -4.186 -4.717 1.00 23.34 N ATOM 1483 CA VAL A 90 1.562 -4.086 -3.839 1.00 0.12 C ATOM 1484 C VAL A 90 2.451 -5.339 -3.920 1.00 24.54 C ATOM 1485 O VAL A 90 2.002 -6.458 -3.672 1.00 23.54 O ATOM 1486 CB VAL A 90 1.146 -3.830 -2.362 1.00 3.33 C ATOM 1487 CG1 VAL A 90 0.163 -4.891 -1.869 1.00 75.32 C ATOM 1488 CG2 VAL A 90 2.377 -3.763 -1.453 1.00 2.45 C ATOM 0 H VAL A 90 -0.369 -4.751 -4.340 1.00 23.34 H new ATOM 0 HA VAL A 90 2.141 -3.233 -4.193 1.00 0.12 H new ATOM 0 HB VAL A 90 0.640 -2.865 -2.323 1.00 3.33 H new ATOM 0 HG11 VAL A 90 -0.108 -4.683 -0.834 1.00 75.32 H new ATOM 0 HG12 VAL A 90 -0.733 -4.873 -2.489 1.00 75.32 H new ATOM 0 HG13 VAL A 90 0.628 -5.875 -1.932 1.00 75.32 H new ATOM 0 HG21 VAL A 90 2.061 -3.583 -0.425 1.00 2.45 H new ATOM 0 HG22 VAL A 90 2.920 -4.707 -1.506 1.00 2.45 H new ATOM 0 HG23 VAL A 90 3.027 -2.951 -1.780 1.00 2.45 H new ATOM 1498 N SER A 91 3.716 -5.137 -4.278 1.00 74.30 N ATOM 1499 CA SER A 91 4.692 -6.232 -4.352 1.00 40.41 C ATOM 1500 C SER A 91 5.789 -6.071 -3.292 1.00 43.43 C ATOM 1501 O SER A 91 6.437 -5.027 -3.209 1.00 73.32 O ATOM 1502 CB SER A 91 5.337 -6.291 -5.745 1.00 21.10 C ATOM 1503 OG SER A 91 4.380 -6.578 -6.755 1.00 1.23 O ATOM 0 H SER A 91 4.095 -4.222 -4.523 1.00 74.30 H new ATOM 0 HA SER A 91 4.154 -7.161 -4.163 1.00 40.41 H new ATOM 0 HB2 SER A 91 5.821 -5.339 -5.962 1.00 21.10 H new ATOM 0 HB3 SER A 91 6.115 -7.054 -5.754 1.00 21.10 H new ATOM 0 HG SER A 91 4.824 -6.607 -7.628 1.00 1.23 H new ATOM 1509 N ALA A 92 5.986 -7.107 -2.484 1.00 64.32 N ATOM 1510 CA ALA A 92 7.059 -7.123 -1.485 1.00 14.23 C ATOM 1511 C ALA A 92 8.162 -8.111 -1.895 1.00 4.50 C ATOM 1512 O ALA A 92 7.936 -9.324 -1.937 1.00 21.20 O ATOM 1513 CB ALA A 92 6.493 -7.486 -0.115 1.00 34.23 C ATOM 0 H ALA A 92 5.416 -7.953 -2.498 1.00 64.32 H new ATOM 0 HA ALA A 92 7.499 -6.128 -1.427 1.00 14.23 H new ATOM 0 HB1 ALA A 92 7.298 -7.495 0.620 1.00 34.23 H new ATOM 0 HB2 ALA A 92 5.744 -6.750 0.176 1.00 34.23 H new ATOM 0 HB3 ALA A 92 6.033 -8.473 -0.161 1.00 34.23 H new ATOM 1519 N VAL A 93 9.359 -7.594 -2.188 1.00 2.15 N ATOM 1520 CA VAL A 93 10.460 -8.436 -2.678 1.00 30.34 C ATOM 1521 C VAL A 93 11.575 -8.630 -1.631 1.00 12.03 C ATOM 1522 O VAL A 93 12.204 -7.673 -1.165 1.00 53.15 O ATOM 1523 CB VAL A 93 11.063 -7.871 -3.996 1.00 1.12 C ATOM 1524 CG1 VAL A 93 11.579 -6.446 -3.806 1.00 43.10 C ATOM 1525 CG2 VAL A 93 12.169 -8.785 -4.530 1.00 60.24 C ATOM 0 H VAL A 93 9.592 -6.605 -2.096 1.00 2.15 H new ATOM 0 HA VAL A 93 10.023 -9.414 -2.877 1.00 30.34 H new ATOM 0 HB VAL A 93 10.264 -7.839 -4.736 1.00 1.12 H new ATOM 0 HG11 VAL A 93 11.994 -6.081 -4.746 1.00 43.10 H new ATOM 0 HG12 VAL A 93 10.758 -5.800 -3.497 1.00 43.10 H new ATOM 0 HG13 VAL A 93 12.354 -6.439 -3.040 1.00 43.10 H new ATOM 0 HG21 VAL A 93 12.573 -8.367 -5.452 1.00 60.24 H new ATOM 0 HG22 VAL A 93 12.964 -8.865 -3.789 1.00 60.24 H new ATOM 0 HG23 VAL A 93 11.758 -9.775 -4.730 1.00 60.24 H new ATOM 1535 N ASN A 94 11.789 -9.884 -1.246 1.00 32.41 N ATOM 1536 CA ASN A 94 12.872 -10.273 -0.336 1.00 70.15 C ATOM 1537 C ASN A 94 13.924 -11.111 -1.090 1.00 73.41 C ATOM 1538 O ASN A 94 13.626 -11.703 -2.129 1.00 75.43 O ATOM 1539 CB ASN A 94 12.276 -11.061 0.840 1.00 13.33 C ATOM 1540 CG ASN A 94 13.316 -11.605 1.803 1.00 63.12 C ATOM 1541 OD1 ASN A 94 13.789 -12.717 1.655 1.00 70.01 O ATOM 1542 ND2 ASN A 94 13.676 -10.831 2.793 1.00 52.43 N ATOM 0 H ASN A 94 11.214 -10.668 -1.556 1.00 32.41 H new ATOM 0 HA ASN A 94 13.371 -9.384 0.050 1.00 70.15 H new ATOM 0 HB2 ASN A 94 11.590 -10.415 1.388 1.00 13.33 H new ATOM 0 HB3 ASN A 94 11.688 -11.891 0.448 1.00 13.33 H new ATOM 0 HD21 ASN A 94 14.370 -11.154 3.467 1.00 52.43 H new ATOM 0 HD22 ASN A 94 13.263 -9.904 2.892 1.00 52.43 H new ATOM 1549 N GLU A 95 15.150 -11.155 -0.573 1.00 5.12 N ATOM 1550 CA GLU A 95 16.229 -11.945 -1.190 1.00 52.41 C ATOM 1551 C GLU A 95 15.859 -13.440 -1.290 1.00 73.21 C ATOM 1552 O GLU A 95 16.208 -14.119 -2.259 1.00 72.05 O ATOM 1553 CB GLU A 95 17.523 -11.762 -0.382 1.00 33.00 C ATOM 1554 CG GLU A 95 17.397 -12.162 1.088 1.00 33.35 C ATOM 1555 CD GLU A 95 18.583 -11.711 1.924 1.00 4.43 C ATOM 1556 OE1 GLU A 95 19.582 -12.454 1.996 1.00 62.12 O ATOM 1557 OE2 GLU A 95 18.524 -10.605 2.508 1.00 0.30 O ATOM 0 H GLU A 95 15.427 -10.655 0.272 1.00 5.12 H new ATOM 0 HA GLU A 95 16.379 -11.583 -2.207 1.00 52.41 H new ATOM 0 HB2 GLU A 95 18.314 -12.353 -0.843 1.00 33.00 H new ATOM 0 HB3 GLU A 95 17.831 -10.718 -0.439 1.00 33.00 H new ATOM 0 HG2 GLU A 95 16.484 -11.733 1.500 1.00 33.35 H new ATOM 0 HG3 GLU A 95 17.300 -13.245 1.158 1.00 33.35 H new ATOM 1564 N ALA A 96 15.164 -13.940 -0.274 1.00 3.12 N ATOM 1565 CA ALA A 96 14.680 -15.325 -0.248 1.00 25.24 C ATOM 1566 C ALA A 96 13.528 -15.564 -1.246 1.00 72.20 C ATOM 1567 O ALA A 96 13.459 -16.613 -1.884 1.00 30.33 O ATOM 1568 CB ALA A 96 14.242 -15.689 1.167 1.00 71.45 C ATOM 0 H ALA A 96 14.918 -13.401 0.556 1.00 3.12 H new ATOM 0 HA ALA A 96 15.504 -15.969 -0.556 1.00 25.24 H new ATOM 0 HB1 ALA A 96 13.883 -16.718 1.183 1.00 71.45 H new ATOM 0 HB2 ALA A 96 15.088 -15.589 1.847 1.00 71.45 H new ATOM 0 HB3 ALA A 96 13.441 -15.020 1.483 1.00 71.45 H new ATOM 1574 N GLY A 97 12.625 -14.588 -1.373 1.00 72.43 N ATOM 1575 CA GLY A 97 11.464 -14.740 -2.259 1.00 1.20 C ATOM 1576 C GLY A 97 10.603 -13.479 -2.359 1.00 0.32 C ATOM 1577 O GLY A 97 10.885 -12.471 -1.713 1.00 52.31 O ATOM 0 H GLY A 97 12.672 -13.695 -0.882 1.00 72.43 H new ATOM 0 HA2 GLY A 97 11.811 -15.013 -3.256 1.00 1.20 H new ATOM 0 HA3 GLY A 97 10.848 -15.564 -1.899 1.00 1.20 H new ATOM 1581 N VAL A 98 9.536 -13.537 -3.161 1.00 25.00 N ATOM 1582 CA VAL A 98 8.666 -12.368 -3.386 1.00 31.13 C ATOM 1583 C VAL A 98 7.165 -12.733 -3.303 1.00 14.25 C ATOM 1584 O VAL A 98 6.767 -13.863 -3.598 1.00 74.13 O ATOM 1585 CB VAL A 98 8.969 -11.717 -4.768 1.00 23.31 C ATOM 1586 CG1 VAL A 98 8.753 -12.714 -5.906 1.00 60.24 C ATOM 1587 CG2 VAL A 98 8.131 -10.456 -4.984 1.00 51.22 C ATOM 0 H VAL A 98 9.250 -14.376 -3.666 1.00 25.00 H new ATOM 0 HA VAL A 98 8.883 -11.655 -2.591 1.00 31.13 H new ATOM 0 HB VAL A 98 10.019 -11.425 -4.770 1.00 23.31 H new ATOM 0 HG11 VAL A 98 8.972 -12.232 -6.859 1.00 60.24 H new ATOM 0 HG12 VAL A 98 9.416 -13.569 -5.771 1.00 60.24 H new ATOM 0 HG13 VAL A 98 7.717 -13.053 -5.901 1.00 60.24 H new ATOM 0 HG21 VAL A 98 8.366 -10.025 -5.957 1.00 51.22 H new ATOM 0 HG22 VAL A 98 7.072 -10.712 -4.946 1.00 51.22 H new ATOM 0 HG23 VAL A 98 8.357 -9.731 -4.202 1.00 51.22 H new ATOM 1597 N THR A 99 6.341 -11.770 -2.880 1.00 24.21 N ATOM 1598 CA THR A 99 4.878 -11.950 -2.831 1.00 40.11 C ATOM 1599 C THR A 99 4.144 -10.662 -3.235 1.00 62.53 C ATOM 1600 O THR A 99 4.585 -9.555 -2.918 1.00 74.31 O ATOM 1601 CB THR A 99 4.380 -12.391 -1.432 1.00 11.34 C ATOM 1602 OG1 THR A 99 2.956 -12.600 -1.457 1.00 65.25 O ATOM 1603 CG2 THR A 99 4.723 -11.354 -0.371 1.00 22.12 C ATOM 0 H THR A 99 6.659 -10.853 -2.565 1.00 24.21 H new ATOM 0 HA THR A 99 4.652 -12.743 -3.544 1.00 40.11 H new ATOM 0 HB THR A 99 4.883 -13.324 -1.178 1.00 11.34 H new ATOM 0 HG1 THR A 99 2.651 -12.880 -0.569 1.00 65.25 H new ATOM 0 HG21 THR A 99 4.360 -11.693 0.599 1.00 22.12 H new ATOM 0 HG22 THR A 99 5.804 -11.221 -0.328 1.00 22.12 H new ATOM 0 HG23 THR A 99 4.251 -10.405 -0.624 1.00 22.12 H new ATOM 1611 N THR A 100 3.026 -10.809 -3.942 1.00 31.04 N ATOM 1612 CA THR A 100 2.256 -9.652 -4.432 1.00 31.34 C ATOM 1613 C THR A 100 0.766 -9.758 -4.059 1.00 42.33 C ATOM 1614 O THR A 100 0.198 -10.851 -4.038 1.00 51.54 O ATOM 1615 CB THR A 100 2.388 -9.509 -5.972 1.00 41.22 C ATOM 1616 OG1 THR A 100 3.769 -9.331 -6.335 1.00 1.23 O ATOM 1617 CG2 THR A 100 1.577 -8.329 -6.501 1.00 4.11 C ATOM 0 H THR A 100 2.628 -11.714 -4.192 1.00 31.04 H new ATOM 0 HA THR A 100 2.674 -8.769 -3.948 1.00 31.34 H new ATOM 0 HB THR A 100 1.998 -10.423 -6.419 1.00 41.22 H new ATOM 0 HG1 THR A 100 3.947 -8.380 -6.490 1.00 1.23 H new ATOM 0 HG21 THR A 100 1.695 -8.262 -7.583 1.00 4.11 H new ATOM 0 HG22 THR A 100 0.524 -8.474 -6.259 1.00 4.11 H new ATOM 0 HG23 THR A 100 1.932 -7.408 -6.040 1.00 4.11 H new ATOM 1625 N CYS A 101 0.140 -8.617 -3.761 1.00 74.23 N ATOM 1626 CA CYS A 101 -1.293 -8.567 -3.426 1.00 32.41 C ATOM 1627 C CYS A 101 -1.982 -7.369 -4.103 1.00 72.44 C ATOM 1628 O CYS A 101 -1.318 -6.442 -4.569 1.00 23.31 O ATOM 1629 CB CYS A 101 -1.486 -8.482 -1.905 1.00 64.31 C ATOM 1630 SG CYS A 101 -3.217 -8.448 -1.375 1.00 61.21 S ATOM 0 H CYS A 101 0.603 -7.708 -3.744 1.00 74.23 H new ATOM 0 HA CYS A 101 -1.751 -9.484 -3.796 1.00 32.41 H new ATOM 0 HB2 CYS A 101 -0.992 -9.335 -1.440 1.00 64.31 H new ATOM 0 HB3 CYS A 101 -0.988 -7.585 -1.537 1.00 64.31 H new ATOM 0 HG CYS A 101 -3.745 -7.303 -1.691 1.00 61.21 H new ATOM 1636 N ASN A 102 -3.317 -7.389 -4.150 1.00 2.34 N ATOM 1637 CA ASN A 102 -4.090 -6.312 -4.794 1.00 32.33 C ATOM 1638 C ASN A 102 -5.007 -5.587 -3.793 1.00 43.33 C ATOM 1639 O ASN A 102 -5.596 -6.203 -2.902 1.00 34.21 O ATOM 1640 CB ASN A 102 -4.927 -6.867 -5.954 1.00 44.55 C ATOM 1641 CG ASN A 102 -4.065 -7.446 -7.062 1.00 22.44 C ATOM 1642 OD1 ASN A 102 -3.764 -8.635 -7.075 1.00 62.44 O ATOM 1643 ND2 ASN A 102 -3.654 -6.614 -7.997 1.00 42.11 N ATOM 0 H ASN A 102 -3.888 -8.135 -3.752 1.00 2.34 H new ATOM 0 HA ASN A 102 -3.372 -5.589 -5.180 1.00 32.33 H new ATOM 0 HB2 ASN A 102 -5.598 -7.639 -5.578 1.00 44.55 H new ATOM 0 HB3 ASN A 102 -5.552 -6.072 -6.361 1.00 44.55 H new ATOM 0 HD21 ASN A 102 -3.068 -6.953 -8.760 1.00 42.11 H new ATOM 0 HD22 ASN A 102 -3.922 -5.631 -7.958 1.00 42.11 H new ATOM 1650 N THR A 103 -5.126 -4.275 -3.969 1.00 14.24 N ATOM 1651 CA THR A 103 -5.929 -3.414 -3.090 1.00 31.32 C ATOM 1652 C THR A 103 -6.785 -2.450 -3.918 1.00 53.43 C ATOM 1653 O THR A 103 -6.404 -2.073 -5.017 1.00 44.12 O ATOM 1654 CB THR A 103 -5.022 -2.588 -2.142 1.00 42.53 C ATOM 1655 OG1 THR A 103 -4.147 -3.461 -1.422 1.00 35.24 O ATOM 1656 CG2 THR A 103 -5.844 -1.764 -1.153 1.00 63.30 C ATOM 0 H THR A 103 -4.668 -3.771 -4.728 1.00 14.24 H new ATOM 0 HA THR A 103 -6.574 -4.062 -2.497 1.00 31.32 H new ATOM 0 HB THR A 103 -4.440 -1.901 -2.756 1.00 42.53 H new ATOM 0 HG1 THR A 103 -4.674 -4.151 -0.967 1.00 35.24 H new ATOM 0 HG21 THR A 103 -5.174 -1.199 -0.505 1.00 63.30 H new ATOM 0 HG22 THR A 103 -6.487 -1.075 -1.700 1.00 63.30 H new ATOM 0 HG23 THR A 103 -6.458 -2.430 -0.547 1.00 63.30 H new ATOM 1664 N ARG A 104 -7.949 -2.068 -3.410 1.00 54.21 N ATOM 1665 CA ARG A 104 -8.818 -1.114 -4.113 1.00 33.43 C ATOM 1666 C ARG A 104 -9.044 0.162 -3.287 1.00 2.25 C ATOM 1667 O ARG A 104 -9.098 0.118 -2.062 1.00 5.04 O ATOM 1668 CB ARG A 104 -10.166 -1.772 -4.448 1.00 1.25 C ATOM 1669 CG ARG A 104 -11.184 -0.813 -5.057 1.00 31.23 C ATOM 1670 CD ARG A 104 -12.487 -1.514 -5.422 1.00 61.25 C ATOM 1671 NE ARG A 104 -13.538 -0.560 -5.753 1.00 35.42 N ATOM 1672 CZ ARG A 104 -14.578 -0.827 -6.493 1.00 30.14 C ATOM 1673 NH1 ARG A 104 -14.741 -2.002 -7.019 1.00 14.30 N ATOM 1674 NH2 ARG A 104 -15.458 0.093 -6.701 1.00 4.50 N ATOM 0 H ARG A 104 -8.318 -2.398 -2.518 1.00 54.21 H new ATOM 0 HA ARG A 104 -8.317 -0.828 -5.038 1.00 33.43 H new ATOM 0 HB2 ARG A 104 -9.996 -2.595 -5.142 1.00 1.25 H new ATOM 0 HB3 ARG A 104 -10.585 -2.203 -3.539 1.00 1.25 H new ATOM 0 HG2 ARG A 104 -11.391 -0.009 -4.351 1.00 31.23 H new ATOM 0 HG3 ARG A 104 -10.759 -0.352 -5.949 1.00 31.23 H new ATOM 0 HD2 ARG A 104 -12.318 -2.178 -6.270 1.00 61.25 H new ATOM 0 HD3 ARG A 104 -12.811 -2.137 -4.589 1.00 61.25 H new ATOM 0 HE ARG A 104 -13.454 0.385 -5.379 1.00 35.42 H new ATOM 0 HH11 ARG A 104 -14.050 -2.734 -6.856 1.00 14.30 H new ATOM 0 HH12 ARG A 104 -15.561 -2.194 -7.595 1.00 14.30 H new ATOM 0 HH21 ARG A 104 -15.336 1.018 -6.288 1.00 4.50 H new ATOM 0 HH22 ARG A 104 -16.276 -0.104 -7.278 1.00 4.50 H new ATOM 1688 N LEU A 105 -9.154 1.302 -3.970 1.00 63.31 N ATOM 1689 CA LEU A 105 -9.500 2.574 -3.318 1.00 74.21 C ATOM 1690 C LEU A 105 -10.620 3.299 -4.080 1.00 34.41 C ATOM 1691 O LEU A 105 -10.627 3.327 -5.316 1.00 0.21 O ATOM 1692 CB LEU A 105 -8.268 3.486 -3.217 1.00 3.02 C ATOM 1693 CG LEU A 105 -8.514 4.840 -2.526 1.00 75.32 C ATOM 1694 CD1 LEU A 105 -8.917 4.642 -1.067 1.00 72.21 C ATOM 1695 CD2 LEU A 105 -7.284 5.737 -2.634 1.00 63.00 C ATOM 0 H LEU A 105 -9.009 1.375 -4.977 1.00 63.31 H new ATOM 0 HA LEU A 105 -9.855 2.343 -2.313 1.00 74.21 H new ATOM 0 HB2 LEU A 105 -7.486 2.955 -2.674 1.00 3.02 H new ATOM 0 HB3 LEU A 105 -7.889 3.672 -4.222 1.00 3.02 H new ATOM 0 HG LEU A 105 -9.339 5.335 -3.039 1.00 75.32 H new ATOM 0 HD11 LEU A 105 -9.085 5.613 -0.601 1.00 72.21 H new ATOM 0 HD12 LEU A 105 -9.833 4.053 -1.019 1.00 72.21 H new ATOM 0 HD13 LEU A 105 -8.121 4.118 -0.538 1.00 72.21 H new ATOM 0 HD21 LEU A 105 -7.482 6.687 -2.139 1.00 63.00 H new ATOM 0 HD22 LEU A 105 -6.435 5.249 -2.156 1.00 63.00 H new ATOM 0 HD23 LEU A 105 -7.055 5.916 -3.685 1.00 63.00 H new ATOM 1707 N ASP A 106 -11.560 3.885 -3.342 1.00 3.11 N ATOM 1708 CA ASP A 106 -12.673 4.624 -3.942 1.00 1.54 C ATOM 1709 C ASP A 106 -12.752 6.060 -3.406 1.00 71.03 C ATOM 1710 O ASP A 106 -12.598 6.305 -2.207 1.00 33.52 O ATOM 1711 CB ASP A 106 -13.993 3.895 -3.674 1.00 44.41 C ATOM 1712 CG ASP A 106 -14.085 2.573 -4.414 1.00 22.23 C ATOM 1713 OD1 ASP A 106 -13.623 1.548 -3.874 1.00 71.14 O ATOM 1714 OD2 ASP A 106 -14.617 2.550 -5.547 1.00 41.32 O ATOM 0 H ASP A 106 -11.574 3.863 -2.322 1.00 3.11 H new ATOM 0 HA ASP A 106 -12.497 4.676 -5.016 1.00 1.54 H new ATOM 0 HB2 ASP A 106 -14.096 3.717 -2.604 1.00 44.41 H new ATOM 0 HB3 ASP A 106 -14.825 4.534 -3.972 1.00 44.41 H new ATOM 1719 N VAL A 107 -12.995 7.009 -4.303 1.00 40.12 N ATOM 1720 CA VAL A 107 -13.176 8.412 -3.922 1.00 10.22 C ATOM 1721 C VAL A 107 -14.561 8.920 -4.351 1.00 13.13 C ATOM 1722 O VAL A 107 -15.093 8.515 -5.387 1.00 4.12 O ATOM 1723 CB VAL A 107 -12.075 9.321 -4.531 1.00 51.24 C ATOM 1724 CG1 VAL A 107 -12.253 10.771 -4.073 1.00 44.43 C ATOM 1725 CG2 VAL A 107 -10.682 8.808 -4.162 1.00 64.31 C ATOM 0 H VAL A 107 -13.072 6.835 -5.305 1.00 40.12 H new ATOM 0 HA VAL A 107 -13.096 8.460 -2.836 1.00 10.22 H new ATOM 0 HB VAL A 107 -12.174 9.291 -5.616 1.00 51.24 H new ATOM 0 HG11 VAL A 107 -11.470 11.390 -4.512 1.00 44.43 H new ATOM 0 HG12 VAL A 107 -13.228 11.137 -4.394 1.00 44.43 H new ATOM 0 HG13 VAL A 107 -12.187 10.820 -2.986 1.00 44.43 H new ATOM 0 HG21 VAL A 107 -9.926 9.460 -4.600 1.00 64.31 H new ATOM 0 HG22 VAL A 107 -10.572 8.802 -3.078 1.00 64.31 H new ATOM 0 HG23 VAL A 107 -10.554 7.796 -4.546 1.00 64.31 H new ATOM 1735 N THR A 108 -15.134 9.803 -3.545 1.00 4.12 N ATOM 1736 CA THR A 108 -16.469 10.356 -3.785 1.00 33.12 C ATOM 1737 C THR A 108 -16.410 11.887 -3.851 1.00 11.53 C ATOM 1738 O THR A 108 -15.592 12.510 -3.176 1.00 3.21 O ATOM 1739 CB THR A 108 -17.458 9.933 -2.667 1.00 33.53 C ATOM 1740 OG1 THR A 108 -17.486 8.500 -2.538 1.00 21.21 O ATOM 1741 CG2 THR A 108 -18.871 10.437 -2.949 1.00 44.42 C ATOM 0 H THR A 108 -14.687 10.161 -2.701 1.00 4.12 H new ATOM 0 HA THR A 108 -16.823 9.962 -4.738 1.00 33.12 H new ATOM 0 HB THR A 108 -17.107 10.381 -1.737 1.00 33.53 H new ATOM 0 HG1 THR A 108 -18.348 8.160 -2.858 1.00 21.21 H new ATOM 0 HG21 THR A 108 -19.537 10.122 -2.145 1.00 44.42 H new ATOM 0 HG22 THR A 108 -18.864 11.525 -3.009 1.00 44.42 H new ATOM 0 HG23 THR A 108 -19.223 10.024 -3.894 1.00 44.42 H new ATOM 1749 N ALA A 109 -17.273 12.492 -4.660 1.00 24.31 N ATOM 1750 CA ALA A 109 -17.270 13.947 -4.834 1.00 62.43 C ATOM 1751 C ALA A 109 -17.868 14.654 -3.613 1.00 24.21 C ATOM 1752 O ALA A 109 -18.927 14.273 -3.113 1.00 10.33 O ATOM 1753 CB ALA A 109 -18.037 14.331 -6.097 1.00 32.05 C ATOM 0 H ALA A 109 -17.983 12.003 -5.206 1.00 24.31 H new ATOM 0 HA ALA A 109 -16.234 14.271 -4.936 1.00 62.43 H new ATOM 0 HB1 ALA A 109 -18.027 15.415 -6.214 1.00 32.05 H new ATOM 0 HB2 ALA A 109 -17.565 13.868 -6.964 1.00 32.05 H new ATOM 0 HB3 ALA A 109 -19.067 13.985 -6.016 1.00 32.05 H new ATOM 1759 N ARG A 110 -17.185 15.686 -3.133 1.00 1.04 N ATOM 1760 CA ARG A 110 -17.640 16.429 -1.960 1.00 44.35 C ATOM 1761 C ARG A 110 -18.719 17.458 -2.358 1.00 71.32 C ATOM 1762 O ARG A 110 -18.519 18.247 -3.282 1.00 4.54 O ATOM 1763 CB ARG A 110 -16.451 17.119 -1.278 1.00 22.20 C ATOM 1764 CG ARG A 110 -16.818 17.805 0.031 1.00 65.21 C ATOM 1765 CD ARG A 110 -15.644 18.565 0.640 1.00 14.43 C ATOM 1766 NE ARG A 110 -14.593 17.677 1.127 1.00 43.42 N ATOM 1767 CZ ARG A 110 -13.337 18.018 1.230 1.00 40.24 C ATOM 1768 NH1 ARG A 110 -12.935 19.188 0.847 1.00 31.44 N ATOM 1769 NH2 ARG A 110 -12.480 17.182 1.714 1.00 11.23 N ATOM 0 H ARG A 110 -16.313 16.029 -3.537 1.00 1.04 H new ATOM 0 HA ARG A 110 -18.085 15.730 -1.252 1.00 44.35 H new ATOM 0 HB2 ARG A 110 -15.673 16.380 -1.086 1.00 22.20 H new ATOM 0 HB3 ARG A 110 -16.029 17.857 -1.960 1.00 22.20 H new ATOM 0 HG2 ARG A 110 -17.643 18.496 -0.143 1.00 65.21 H new ATOM 0 HG3 ARG A 110 -17.172 17.059 0.742 1.00 65.21 H new ATOM 0 HD2 ARG A 110 -15.227 19.241 -0.107 1.00 14.43 H new ATOM 0 HD3 ARG A 110 -16.003 19.182 1.463 1.00 14.43 H new ATOM 0 HE ARG A 110 -14.856 16.731 1.404 1.00 43.42 H new ATOM 0 HH11 ARG A 110 -13.602 19.855 0.460 1.00 31.44 H new ATOM 0 HH12 ARG A 110 -11.951 19.442 0.933 1.00 31.44 H new ATOM 0 HH21 ARG A 110 -12.785 16.256 2.015 1.00 11.23 H new ATOM 0 HH22 ARG A 110 -11.498 17.447 1.795 1.00 11.23 H new ATOM 1783 N PRO A 111 -19.883 17.458 -1.667 1.00 55.32 N ATOM 1784 CA PRO A 111 -21.031 18.324 -2.022 1.00 3.20 C ATOM 1785 C PRO A 111 -20.681 19.822 -2.100 1.00 43.23 C ATOM 1786 O PRO A 111 -21.297 20.575 -2.858 1.00 34.14 O ATOM 1787 CB PRO A 111 -22.035 18.066 -0.890 1.00 53.43 C ATOM 1788 CG PRO A 111 -21.675 16.720 -0.359 1.00 2.35 C ATOM 1789 CD PRO A 111 -20.180 16.609 -0.495 1.00 54.24 C ATOM 0 HA PRO A 111 -21.405 18.088 -3.018 1.00 3.20 H new ATOM 0 HB2 PRO A 111 -21.962 18.829 -0.115 1.00 53.43 H new ATOM 0 HB3 PRO A 111 -23.060 18.084 -1.259 1.00 53.43 H new ATOM 0 HG2 PRO A 111 -21.981 16.616 0.682 1.00 2.35 H new ATOM 0 HG3 PRO A 111 -22.178 15.932 -0.919 1.00 2.35 H new ATOM 0 HD2 PRO A 111 -19.667 16.963 0.399 1.00 54.24 H new ATOM 0 HD3 PRO A 111 -19.866 15.578 -0.655 1.00 54.24 H new ATOM 1797 N ASN A 112 -19.700 20.247 -1.311 1.00 14.23 N ATOM 1798 CA ASN A 112 -19.272 21.650 -1.288 1.00 2.52 C ATOM 1799 C ASN A 112 -17.844 21.779 -0.737 1.00 24.10 C ATOM 1800 O ASN A 112 -17.421 20.981 0.096 1.00 0.14 O ATOM 1801 CB ASN A 112 -20.239 22.479 -0.428 1.00 24.10 C ATOM 1802 CG ASN A 112 -19.891 23.960 -0.418 1.00 24.11 C ATOM 1803 OD1 ASN A 112 -19.369 24.489 -1.392 1.00 35.11 O ATOM 1804 ND2 ASN A 112 -20.168 24.637 0.677 1.00 13.45 N ATOM 0 H ASN A 112 -19.182 19.641 -0.675 1.00 14.23 H new ATOM 0 HA ASN A 112 -19.282 22.027 -2.311 1.00 2.52 H new ATOM 0 HB2 ASN A 112 -21.254 22.351 -0.803 1.00 24.10 H new ATOM 0 HB3 ASN A 112 -20.227 22.100 0.594 1.00 24.10 H new ATOM 0 HD21 ASN A 112 -19.948 25.631 0.731 1.00 13.45 H new ATOM 0 HD22 ASN A 112 -20.603 24.167 1.471 1.00 13.45 H new ATOM 1811 N GLN A 113 -17.098 22.776 -1.211 1.00 2.42 N ATOM 1812 CA GLN A 113 -15.758 23.045 -0.678 1.00 1.01 C ATOM 1813 C GLN A 113 -15.785 24.247 0.275 1.00 71.31 C ATOM 1814 O GLN A 113 -15.812 25.401 -0.162 1.00 2.31 O ATOM 1815 CB GLN A 113 -14.749 23.302 -1.807 1.00 54.13 C ATOM 1816 CG GLN A 113 -13.325 23.530 -1.301 1.00 43.43 C ATOM 1817 CD GLN A 113 -12.343 23.895 -2.401 1.00 72.33 C ATOM 1818 OE1 GLN A 113 -12.485 23.484 -3.549 1.00 31.11 O ATOM 1819 NE2 GLN A 113 -11.340 24.673 -2.057 1.00 72.14 N ATOM 0 H GLN A 113 -17.393 23.407 -1.956 1.00 2.42 H new ATOM 0 HA GLN A 113 -15.442 22.159 -0.127 1.00 1.01 H new ATOM 0 HB2 GLN A 113 -14.753 22.452 -2.490 1.00 54.13 H new ATOM 0 HB3 GLN A 113 -15.068 24.173 -2.380 1.00 54.13 H new ATOM 0 HG2 GLN A 113 -13.336 24.325 -0.556 1.00 43.43 H new ATOM 0 HG3 GLN A 113 -12.977 22.627 -0.799 1.00 43.43 H new ATOM 0 HE21 GLN A 113 -11.253 24.996 -1.094 1.00 72.14 H new ATOM 0 HE22 GLN A 113 -10.650 24.953 -2.754 1.00 72.14 H new ATOM 1828 N THR A 114 -15.803 23.971 1.575 1.00 31.04 N ATOM 1829 CA THR A 114 -15.777 25.027 2.597 1.00 22.30 C ATOM 1830 C THR A 114 -14.357 25.268 3.126 1.00 11.42 C ATOM 1831 O THR A 114 -13.414 24.549 2.778 1.00 53.03 O ATOM 1832 CB THR A 114 -16.698 24.682 3.797 1.00 5.10 C ATOM 1833 OG1 THR A 114 -16.317 23.419 4.373 1.00 50.41 O ATOM 1834 CG2 THR A 114 -18.163 24.630 3.373 1.00 13.10 C ATOM 0 H THR A 114 -15.836 23.024 1.953 1.00 31.04 H new ATOM 0 HA THR A 114 -16.140 25.932 2.109 1.00 22.30 H new ATOM 0 HB THR A 114 -16.582 25.470 4.541 1.00 5.10 H new ATOM 0 HG1 THR A 114 -16.905 23.214 5.130 1.00 50.41 H new ATOM 0 HG21 THR A 114 -18.783 24.386 4.236 1.00 13.10 H new ATOM 0 HG22 THR A 114 -18.461 25.600 2.974 1.00 13.10 H new ATOM 0 HG23 THR A 114 -18.293 23.867 2.606 1.00 13.10 H new ATOM 1842 N LEU A 115 -14.208 26.295 3.958 1.00 20.31 N ATOM 1843 CA LEU A 115 -12.942 26.562 4.643 1.00 41.45 C ATOM 1844 C LEU A 115 -12.889 25.801 5.978 1.00 11.25 C ATOM 1845 O LEU A 115 -13.876 25.766 6.716 1.00 72.14 O ATOM 1846 CB LEU A 115 -12.759 28.072 4.887 1.00 51.35 C ATOM 1847 CG LEU A 115 -12.478 28.930 3.634 1.00 24.11 C ATOM 1848 CD1 LEU A 115 -11.253 28.412 2.882 1.00 54.30 C ATOM 1849 CD2 LEU A 115 -13.695 28.986 2.711 1.00 1.34 C ATOM 0 H LEU A 115 -14.950 26.960 4.176 1.00 20.31 H new ATOM 0 HA LEU A 115 -12.129 26.216 4.005 1.00 41.45 H new ATOM 0 HB2 LEU A 115 -13.658 28.454 5.370 1.00 51.35 H new ATOM 0 HB3 LEU A 115 -11.937 28.210 5.589 1.00 51.35 H new ATOM 0 HG LEU A 115 -12.269 29.945 3.971 1.00 24.11 H new ATOM 0 HD11 LEU A 115 -11.076 29.033 2.004 1.00 54.30 H new ATOM 0 HD12 LEU A 115 -10.382 28.451 3.536 1.00 54.30 H new ATOM 0 HD13 LEU A 115 -11.426 27.382 2.569 1.00 54.30 H new ATOM 0 HD21 LEU A 115 -13.463 29.598 1.839 1.00 1.34 H new ATOM 0 HD22 LEU A 115 -13.953 27.978 2.388 1.00 1.34 H new ATOM 0 HD23 LEU A 115 -14.538 29.423 3.247 1.00 1.34 H new ATOM 1861 N PRO A 116 -11.744 25.169 6.299 1.00 0.12 N ATOM 1862 CA PRO A 116 -11.585 24.392 7.549 1.00 42.24 C ATOM 1863 C PRO A 116 -11.662 25.261 8.828 1.00 20.13 C ATOM 1864 O PRO A 116 -10.681 25.976 9.138 1.00 36.38 O ATOM 1865 CB PRO A 116 -10.196 23.749 7.392 1.00 1.25 C ATOM 1866 CG PRO A 116 -9.473 24.620 6.421 1.00 14.32 C ATOM 1867 CD PRO A 116 -10.520 25.149 5.475 1.00 73.44 C ATOM 1868 OXT PRO A 116 -12.700 25.210 9.529 1.00 36.38 O ATOM 0 HA PRO A 116 -12.391 23.670 7.679 1.00 42.24 H new ATOM 0 HB2 PRO A 116 -9.672 23.704 8.347 1.00 1.25 H new ATOM 0 HB3 PRO A 116 -10.274 22.727 7.022 1.00 1.25 H new ATOM 0 HG2 PRO A 116 -8.963 25.436 6.934 1.00 14.32 H new ATOM 0 HG3 PRO A 116 -8.711 24.056 5.883 1.00 14.32 H new ATOM 0 HD2 PRO A 116 -10.265 26.144 5.109 1.00 73.44 H new ATOM 0 HD3 PRO A 116 -10.634 24.507 4.601 1.00 73.44 H new TER 1876 PRO A 116