USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 32 GLN : amide:sc= 0.544 K(o=1.6,f=-7.5!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ -155:sc= 1.07 (180deg=-0.897) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.993 (180deg=-0.239) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -176:sc= -5.88! (180deg=-6.14!) USER MOD Single : A 4 THR OG1 : rot 11:sc= 1.11 USER MOD Single : A 8 ASN : amide:sc= 0.627 K(o=0.63,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0764) USER MOD Single : A 20 SER OG : rot -61:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot 118:sc= 1.11 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -2.34 K(o=-2.3,f=-3.5) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0458 (180deg=-0.305) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= 1.21 (180deg=1.15) USER MOD Single : A 49 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.082) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0.0297 (180deg=0.0172) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -111:sc= 0.329 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.125 USER MOD Single : A 79 SER OG : rot -152:sc= 0.923 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -110:sc= 0.652 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0569) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 167:sc= 0 (180deg=-0.123) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -78:sc= 1.22 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.149 -1.189 14.185 1.00 4.36 N ATOM 2 CA MET A 1 8.747 -2.164 13.242 1.00 4.01 C ATOM 3 C MET A 1 7.859 -2.342 12.013 1.00 2.43 C ATOM 4 O MET A 1 8.065 -1.653 11.024 1.00 3.65 O ATOM 5 CB MET A 1 9.128 -3.510 13.899 1.00 5.18 C ATOM 6 CG MET A 1 8.168 -4.035 14.980 1.00 4.82 C ATOM 7 SD MET A 1 8.354 -3.257 16.606 1.00 5.89 S ATOM 8 CE MET A 1 9.798 -4.175 17.212 1.00 7.52 C ATOM 0 H1 MET A 1 8.736 -0.331 14.216 1.00 4.36 H new ATOM 0 H2 MET A 1 7.190 -0.941 13.867 1.00 4.36 H new ATOM 0 H3 MET A 1 8.101 -1.610 15.135 1.00 4.36 H new ATOM 0 HA MET A 1 9.696 -1.740 12.913 1.00 4.01 H new ATOM 0 HB2 MET A 1 9.206 -4.264 13.115 1.00 5.18 H new ATOM 0 HB3 MET A 1 10.119 -3.407 14.342 1.00 5.18 H new ATOM 0 HG2 MET A 1 7.143 -3.888 14.638 1.00 4.82 H new ATOM 0 HG3 MET A 1 8.318 -5.109 15.088 1.00 4.82 H new ATOM 0 HE1 MET A 1 10.058 -3.825 18.211 1.00 7.52 H new ATOM 0 HE2 MET A 1 9.563 -5.239 17.250 1.00 7.52 H new ATOM 0 HE3 MET A 1 10.641 -4.013 16.540 1.00 7.52 H new ATOM 20 N SER A 2 6.855 -3.221 12.092 1.00 1.45 N ATOM 21 CA SER A 2 5.904 -3.550 11.033 1.00 2.53 C ATOM 22 C SER A 2 6.580 -4.160 9.789 1.00 1.96 C ATOM 23 O SER A 2 7.205 -5.221 9.895 1.00 1.64 O ATOM 24 CB SER A 2 4.960 -2.360 10.766 1.00 4.37 C ATOM 25 OG SER A 2 4.393 -1.859 11.962 1.00 4.98 O ATOM 0 H SER A 2 6.677 -3.750 12.946 1.00 1.45 H new ATOM 0 HA SER A 2 5.261 -4.360 11.377 1.00 2.53 H new ATOM 0 HB2 SER A 2 5.511 -1.565 10.264 1.00 4.37 H new ATOM 0 HB3 SER A 2 4.164 -2.672 10.090 1.00 4.37 H new ATOM 0 HG SER A 2 3.802 -1.105 11.753 1.00 4.98 H new ATOM 31 N MET A 3 6.442 -3.519 8.621 1.00 1.92 N ATOM 32 CA MET A 3 7.031 -3.892 7.328 1.00 1.49 C ATOM 33 C MET A 3 8.561 -3.834 7.362 1.00 1.12 C ATOM 34 O MET A 3 9.200 -2.866 6.954 1.00 2.16 O ATOM 35 CB MET A 3 6.462 -3.009 6.207 1.00 1.60 C ATOM 36 CG MET A 3 6.470 -1.503 6.502 1.00 1.55 C ATOM 37 SD MET A 3 4.864 -0.749 6.163 1.00 2.61 S ATOM 38 CE MET A 3 3.951 -1.527 7.493 1.00 2.88 C ATOM 0 H MET A 3 5.880 -2.671 8.549 1.00 1.92 H new ATOM 0 HA MET A 3 6.759 -4.927 7.122 1.00 1.49 H new ATOM 0 HB2 MET A 3 7.034 -3.189 5.297 1.00 1.60 H new ATOM 0 HB3 MET A 3 5.437 -3.319 6.005 1.00 1.60 H new ATOM 0 HG2 MET A 3 6.737 -1.338 7.546 1.00 1.55 H new ATOM 0 HG3 MET A 3 7.235 -1.017 5.897 1.00 1.55 H new ATOM 0 HE1 MET A 3 2.899 -1.249 7.424 1.00 2.88 H new ATOM 0 HE2 MET A 3 4.046 -2.610 7.414 1.00 2.88 H new ATOM 0 HE3 MET A 3 4.352 -1.196 8.451 1.00 2.88 H new ATOM 48 N THR A 4 9.146 -4.874 7.942 1.00 0.93 N ATOM 49 CA THR A 4 10.554 -4.988 8.330 1.00 0.60 C ATOM 50 C THR A 4 10.751 -6.387 8.901 1.00 0.53 C ATOM 51 O THR A 4 11.531 -7.171 8.364 1.00 0.64 O ATOM 52 CB THR A 4 10.893 -3.916 9.393 1.00 1.24 C ATOM 53 OG1 THR A 4 11.008 -2.659 8.770 1.00 1.60 O ATOM 54 CG2 THR A 4 12.222 -4.146 10.119 1.00 1.47 C ATOM 0 H THR A 4 8.619 -5.717 8.171 1.00 0.93 H new ATOM 0 HA THR A 4 11.211 -4.830 7.475 1.00 0.60 H new ATOM 0 HB THR A 4 10.083 -3.971 10.120 1.00 1.24 H new ATOM 0 HG1 THR A 4 10.674 -2.718 7.850 1.00 1.60 H new ATOM 0 HG21 THR A 4 12.382 -3.350 10.846 1.00 1.47 H new ATOM 0 HG22 THR A 4 12.194 -5.107 10.633 1.00 1.47 H new ATOM 0 HG23 THR A 4 13.037 -4.145 9.395 1.00 1.47 H new ATOM 62 N ASP A 5 9.997 -6.668 9.970 1.00 0.68 N ATOM 63 CA ASP A 5 10.151 -7.812 10.868 1.00 0.66 C ATOM 64 C ASP A 5 8.952 -8.768 10.781 1.00 0.64 C ATOM 65 O ASP A 5 9.107 -9.975 10.943 1.00 0.83 O ATOM 66 CB ASP A 5 10.297 -7.245 12.290 1.00 0.70 C ATOM 67 CG ASP A 5 10.905 -8.241 13.275 1.00 1.03 C ATOM 68 OD1 ASP A 5 12.045 -8.676 13.005 1.00 2.09 O ATOM 69 OD2 ASP A 5 10.246 -8.491 14.306 1.00 1.62 O ATOM 0 H ASP A 5 9.220 -6.067 10.245 1.00 0.68 H new ATOM 0 HA ASP A 5 11.027 -8.397 10.587 1.00 0.66 H new ATOM 0 HB2 ASP A 5 10.920 -6.351 12.256 1.00 0.70 H new ATOM 0 HB3 ASP A 5 9.317 -6.936 12.654 1.00 0.70 H new ATOM 74 N LEU A 6 7.762 -8.226 10.483 1.00 0.65 N ATOM 75 CA LEU A 6 6.550 -8.990 10.209 1.00 0.74 C ATOM 76 C LEU A 6 6.607 -9.562 8.780 1.00 0.64 C ATOM 77 O LEU A 6 6.713 -10.776 8.604 1.00 0.74 O ATOM 78 CB LEU A 6 5.324 -8.090 10.459 1.00 0.95 C ATOM 79 CG LEU A 6 5.249 -7.445 11.858 1.00 0.97 C ATOM 80 CD1 LEU A 6 3.932 -6.680 11.993 1.00 1.65 C ATOM 81 CD2 LEU A 6 5.320 -8.461 13.003 1.00 1.66 C ATOM 0 H LEU A 6 7.619 -7.218 10.426 1.00 0.65 H new ATOM 0 HA LEU A 6 6.466 -9.845 10.880 1.00 0.74 H new ATOM 0 HB2 LEU A 6 5.319 -7.297 9.711 1.00 0.95 H new ATOM 0 HB3 LEU A 6 4.422 -8.682 10.302 1.00 0.95 H new ATOM 0 HG LEU A 6 6.115 -6.788 11.939 1.00 0.97 H new ATOM 0 HD11 LEU A 6 3.876 -6.223 12.981 1.00 1.65 H new ATOM 0 HD12 LEU A 6 3.883 -5.903 11.230 1.00 1.65 H new ATOM 0 HD13 LEU A 6 3.097 -7.368 11.864 1.00 1.65 H new ATOM 0 HD21 LEU A 6 5.262 -7.938 13.958 1.00 1.66 H new ATOM 0 HD22 LEU A 6 4.488 -9.160 12.921 1.00 1.66 H new ATOM 0 HD23 LEU A 6 6.261 -9.008 12.946 1.00 1.66 H new ATOM 93 N LEU A 7 6.613 -8.663 7.780 1.00 0.77 N ATOM 94 CA LEU A 7 6.776 -8.970 6.358 1.00 0.69 C ATOM 95 C LEU A 7 8.166 -9.560 6.047 1.00 0.75 C ATOM 96 O LEU A 7 8.326 -10.775 6.091 1.00 1.37 O ATOM 97 CB LEU A 7 6.458 -7.724 5.499 1.00 0.66 C ATOM 98 CG LEU A 7 4.997 -7.233 5.519 1.00 0.81 C ATOM 99 CD1 LEU A 7 4.844 -6.071 4.531 1.00 2.02 C ATOM 100 CD2 LEU A 7 4.023 -8.326 5.095 1.00 1.71 C ATOM 0 H LEU A 7 6.499 -7.664 7.953 1.00 0.77 H new ATOM 0 HA LEU A 7 6.058 -9.747 6.095 1.00 0.69 H new ATOM 0 HB2 LEU A 7 7.098 -6.907 5.832 1.00 0.66 H new ATOM 0 HB3 LEU A 7 6.731 -7.942 4.467 1.00 0.66 H new ATOM 0 HG LEU A 7 4.769 -6.930 6.541 1.00 0.81 H new ATOM 0 HD11 LEU A 7 3.812 -5.719 4.540 1.00 2.02 H new ATOM 0 HD12 LEU A 7 5.508 -5.257 4.821 1.00 2.02 H new ATOM 0 HD13 LEU A 7 5.103 -6.410 3.528 1.00 2.02 H new ATOM 0 HD21 LEU A 7 3.005 -7.937 5.123 1.00 1.71 H new ATOM 0 HD22 LEU A 7 4.259 -8.651 4.082 1.00 1.71 H new ATOM 0 HD23 LEU A 7 4.107 -9.173 5.776 1.00 1.71 H new ATOM 112 N ASN A 8 9.141 -8.708 5.698 1.00 0.61 N ATOM 113 CA ASN A 8 10.525 -9.025 5.316 1.00 0.57 C ATOM 114 C ASN A 8 11.183 -7.770 4.716 1.00 0.47 C ATOM 115 O ASN A 8 10.837 -7.382 3.600 1.00 0.44 O ATOM 116 CB ASN A 8 10.587 -10.141 4.243 1.00 0.66 C ATOM 117 CG ASN A 8 10.765 -11.562 4.753 1.00 0.82 C ATOM 118 OD1 ASN A 8 11.259 -11.823 5.839 1.00 1.30 O ATOM 119 ND2 ASN A 8 10.433 -12.523 3.915 1.00 1.59 N ATOM 0 H ASN A 8 8.969 -7.703 5.674 1.00 0.61 H new ATOM 0 HA ASN A 8 11.042 -9.364 6.214 1.00 0.57 H new ATOM 0 HB2 ASN A 8 9.669 -10.101 3.656 1.00 0.66 H new ATOM 0 HB3 ASN A 8 11.410 -9.916 3.564 1.00 0.66 H new ATOM 0 HD21 ASN A 8 10.588 -13.498 4.170 1.00 1.59 H new ATOM 0 HD22 ASN A 8 10.021 -12.292 3.011 1.00 1.59 H new ATOM 126 N ALA A 9 12.157 -7.155 5.399 1.00 0.49 N ATOM 127 CA ALA A 9 12.935 -6.029 4.853 1.00 0.44 C ATOM 128 C ALA A 9 13.489 -6.271 3.427 1.00 0.35 C ATOM 129 O ALA A 9 13.491 -5.357 2.599 1.00 0.34 O ATOM 130 CB ALA A 9 14.057 -5.691 5.838 1.00 0.59 C ATOM 0 H ALA A 9 12.430 -7.422 6.345 1.00 0.49 H new ATOM 0 HA ALA A 9 12.256 -5.184 4.740 1.00 0.44 H new ATOM 0 HB1 ALA A 9 14.644 -4.859 5.449 1.00 0.59 H new ATOM 0 HB2 ALA A 9 13.626 -5.413 6.800 1.00 0.59 H new ATOM 0 HB3 ALA A 9 14.702 -6.560 5.967 1.00 0.59 H new ATOM 136 N GLU A 10 13.909 -7.504 3.114 1.00 0.35 N ATOM 137 CA GLU A 10 14.350 -7.904 1.772 1.00 0.36 C ATOM 138 C GLU A 10 13.248 -7.751 0.719 1.00 0.36 C ATOM 139 O GLU A 10 13.474 -7.176 -0.344 1.00 0.52 O ATOM 140 CB GLU A 10 14.802 -9.369 1.770 1.00 0.45 C ATOM 141 CG GLU A 10 16.037 -9.631 2.633 1.00 1.22 C ATOM 142 CD GLU A 10 16.594 -11.015 2.296 1.00 1.63 C ATOM 143 OE1 GLU A 10 17.268 -11.106 1.244 1.00 2.59 O ATOM 144 OE2 GLU A 10 16.296 -11.962 3.054 1.00 2.61 O ATOM 0 H GLU A 10 13.952 -8.262 3.795 1.00 0.35 H new ATOM 0 HA GLU A 10 15.175 -7.240 1.515 1.00 0.36 H new ATOM 0 HB2 GLU A 10 13.982 -9.994 2.125 1.00 0.45 H new ATOM 0 HB3 GLU A 10 15.014 -9.673 0.745 1.00 0.45 H new ATOM 0 HG2 GLU A 10 16.792 -8.866 2.452 1.00 1.22 H new ATOM 0 HG3 GLU A 10 15.776 -9.577 3.690 1.00 1.22 H new ATOM 151 N ASP A 11 12.066 -8.292 1.006 1.00 0.29 N ATOM 152 CA ASP A 11 10.894 -8.268 0.133 1.00 0.30 C ATOM 153 C ASP A 11 10.359 -6.835 0.005 1.00 0.28 C ATOM 154 O ASP A 11 10.042 -6.398 -1.102 1.00 0.29 O ATOM 155 CB ASP A 11 9.903 -9.323 0.647 1.00 0.37 C ATOM 156 CG ASP A 11 10.491 -10.747 0.619 1.00 0.86 C ATOM 157 OD1 ASP A 11 11.435 -10.989 -0.176 1.00 2.22 O ATOM 158 OD2 ASP A 11 10.001 -11.582 1.420 1.00 1.62 O ATOM 0 H ASP A 11 11.891 -8.777 1.886 1.00 0.29 H new ATOM 0 HA ASP A 11 11.126 -8.547 -0.895 1.00 0.30 H new ATOM 0 HB2 ASP A 11 9.609 -9.075 1.667 1.00 0.37 H new ATOM 0 HB3 ASP A 11 8.999 -9.295 0.039 1.00 0.37 H new ATOM 163 N ILE A 12 10.404 -6.050 1.093 1.00 0.26 N ATOM 164 CA ILE A 12 10.173 -4.598 1.090 1.00 0.25 C ATOM 165 C ILE A 12 11.032 -3.870 0.051 1.00 0.25 C ATOM 166 O ILE A 12 10.506 -3.030 -0.681 1.00 0.27 O ATOM 167 CB ILE A 12 10.311 -4.019 2.524 1.00 0.27 C ATOM 168 CG1 ILE A 12 8.943 -3.941 3.229 1.00 0.37 C ATOM 169 CG2 ILE A 12 10.933 -2.622 2.602 1.00 0.36 C ATOM 170 CD1 ILE A 12 8.594 -5.259 3.910 1.00 0.51 C ATOM 0 H ILE A 12 10.607 -6.418 2.022 1.00 0.26 H new ATOM 0 HA ILE A 12 9.145 -4.420 0.775 1.00 0.25 H new ATOM 0 HB ILE A 12 10.987 -4.718 3.016 1.00 0.27 H new ATOM 0 HG12 ILE A 12 8.958 -3.140 3.968 1.00 0.37 H new ATOM 0 HG13 ILE A 12 8.171 -3.689 2.502 1.00 0.37 H new ATOM 0 HG21 ILE A 12 10.987 -2.305 3.644 1.00 0.36 H new ATOM 0 HG22 ILE A 12 11.937 -2.647 2.178 1.00 0.36 H new ATOM 0 HG23 ILE A 12 10.319 -1.918 2.040 1.00 0.36 H new ATOM 0 HD11 ILE A 12 7.623 -5.171 4.398 1.00 0.51 H new ATOM 0 HD12 ILE A 12 8.555 -6.054 3.165 1.00 0.51 H new ATOM 0 HD13 ILE A 12 9.354 -5.496 4.654 1.00 0.51 H new ATOM 182 N LYS A 13 12.328 -4.196 -0.058 1.00 0.27 N ATOM 183 CA LYS A 13 13.203 -3.568 -1.054 1.00 0.34 C ATOM 184 C LYS A 13 12.760 -3.832 -2.495 1.00 0.32 C ATOM 185 O LYS A 13 12.630 -2.871 -3.257 1.00 0.39 O ATOM 186 CB LYS A 13 14.662 -3.970 -0.828 1.00 0.50 C ATOM 187 CG LYS A 13 15.302 -3.087 0.248 1.00 2.51 C ATOM 188 CD LYS A 13 16.809 -3.337 0.281 1.00 2.88 C ATOM 189 CE LYS A 13 17.491 -2.268 1.142 1.00 4.91 C ATOM 190 NZ LYS A 13 18.967 -2.375 1.081 1.00 5.66 N ATOM 0 H LYS A 13 12.791 -4.889 0.530 1.00 0.27 H new ATOM 0 HA LYS A 13 13.119 -2.491 -0.911 1.00 0.34 H new ATOM 0 HB2 LYS A 13 14.714 -5.016 -0.527 1.00 0.50 H new ATOM 0 HB3 LYS A 13 15.219 -3.879 -1.760 1.00 0.50 H new ATOM 0 HG2 LYS A 13 15.101 -2.036 0.038 1.00 2.51 H new ATOM 0 HG3 LYS A 13 14.865 -3.307 1.222 1.00 2.51 H new ATOM 0 HD2 LYS A 13 17.014 -4.328 0.685 1.00 2.88 H new ATOM 0 HD3 LYS A 13 17.213 -3.315 -0.731 1.00 2.88 H new ATOM 0 HE2 LYS A 13 17.184 -1.278 0.804 1.00 4.91 H new ATOM 0 HE3 LYS A 13 17.161 -2.369 2.176 1.00 4.91 H new ATOM 0 HZ1 LYS A 13 19.394 -1.636 1.676 1.00 5.66 H new ATOM 0 HZ2 LYS A 13 19.262 -3.310 1.427 1.00 5.66 H new ATOM 0 HZ3 LYS A 13 19.284 -2.254 0.098 1.00 5.66 H new ATOM 204 N LYS A 14 12.479 -5.093 -2.871 1.00 0.37 N ATOM 205 CA LYS A 14 11.907 -5.390 -4.202 1.00 0.46 C ATOM 206 C LYS A 14 10.580 -4.653 -4.400 1.00 0.51 C ATOM 207 O LYS A 14 10.322 -4.124 -5.478 1.00 0.61 O ATOM 208 CB LYS A 14 11.670 -6.893 -4.447 1.00 0.47 C ATOM 209 CG LYS A 14 12.921 -7.783 -4.561 1.00 0.76 C ATOM 210 CD LYS A 14 13.420 -8.269 -3.195 1.00 1.98 C ATOM 211 CE LYS A 14 14.250 -9.552 -3.292 1.00 2.89 C ATOM 212 NZ LYS A 14 14.429 -10.172 -1.952 1.00 4.28 N ATOM 0 H LYS A 14 12.635 -5.913 -2.284 1.00 0.37 H new ATOM 0 HA LYS A 14 12.651 -5.046 -4.920 1.00 0.46 H new ATOM 0 HB2 LYS A 14 11.053 -7.277 -3.634 1.00 0.47 H new ATOM 0 HB3 LYS A 14 11.092 -7.001 -5.365 1.00 0.47 H new ATOM 0 HG2 LYS A 14 12.695 -8.644 -5.189 1.00 0.76 H new ATOM 0 HG3 LYS A 14 13.716 -7.226 -5.058 1.00 0.76 H new ATOM 0 HD2 LYS A 14 14.021 -7.486 -2.733 1.00 1.98 H new ATOM 0 HD3 LYS A 14 12.565 -8.442 -2.541 1.00 1.98 H new ATOM 0 HE2 LYS A 14 13.758 -10.258 -3.961 1.00 2.89 H new ATOM 0 HE3 LYS A 14 15.224 -9.327 -3.726 1.00 2.89 H new ATOM 0 HZ1 LYS A 14 14.732 -11.161 -2.065 1.00 4.28 H new ATOM 0 HZ2 LYS A 14 15.152 -9.647 -1.420 1.00 4.28 H new ATOM 0 HZ3 LYS A 14 13.528 -10.143 -1.433 1.00 4.28 H new ATOM 226 N ALA A 15 9.757 -4.605 -3.351 1.00 0.46 N ATOM 227 CA ALA A 15 8.417 -4.037 -3.395 1.00 0.56 C ATOM 228 C ALA A 15 8.427 -2.531 -3.666 1.00 0.45 C ATOM 229 O ALA A 15 7.794 -2.079 -4.620 1.00 0.47 O ATOM 230 CB ALA A 15 7.710 -4.358 -2.089 1.00 0.66 C ATOM 0 H ALA A 15 10.012 -4.968 -2.432 1.00 0.46 H new ATOM 0 HA ALA A 15 7.877 -4.485 -4.229 1.00 0.56 H new ATOM 0 HB1 ALA A 15 6.704 -3.939 -2.107 1.00 0.66 H new ATOM 0 HB2 ALA A 15 7.650 -5.439 -1.964 1.00 0.66 H new ATOM 0 HB3 ALA A 15 8.268 -3.927 -1.258 1.00 0.66 H new ATOM 236 N VAL A 16 9.161 -1.743 -2.866 1.00 0.37 N ATOM 237 CA VAL A 16 9.266 -0.294 -3.093 1.00 0.35 C ATOM 238 C VAL A 16 9.847 -0.006 -4.480 1.00 0.29 C ATOM 239 O VAL A 16 9.351 0.885 -5.170 1.00 0.36 O ATOM 240 CB VAL A 16 10.045 0.411 -1.965 1.00 0.39 C ATOM 241 CG1 VAL A 16 10.196 1.921 -2.210 1.00 0.62 C ATOM 242 CG2 VAL A 16 9.297 0.249 -0.636 1.00 0.83 C ATOM 0 H VAL A 16 9.688 -2.082 -2.061 1.00 0.37 H new ATOM 0 HA VAL A 16 8.261 0.126 -3.069 1.00 0.35 H new ATOM 0 HB VAL A 16 11.032 -0.051 -1.938 1.00 0.39 H new ATOM 0 HG11 VAL A 16 10.752 2.369 -1.387 1.00 0.62 H new ATOM 0 HG12 VAL A 16 10.734 2.086 -3.143 1.00 0.62 H new ATOM 0 HG13 VAL A 16 9.209 2.380 -2.274 1.00 0.62 H new ATOM 0 HG21 VAL A 16 9.852 0.749 0.157 1.00 0.83 H new ATOM 0 HG22 VAL A 16 8.305 0.693 -0.720 1.00 0.83 H new ATOM 0 HG23 VAL A 16 9.201 -0.811 -0.399 1.00 0.83 H new ATOM 252 N GLY A 17 10.797 -0.832 -4.943 1.00 0.27 N ATOM 253 CA GLY A 17 11.323 -0.779 -6.307 1.00 0.33 C ATOM 254 C GLY A 17 10.271 -1.003 -7.405 1.00 0.41 C ATOM 255 O GLY A 17 10.481 -0.559 -8.530 1.00 0.58 O ATOM 0 H GLY A 17 11.223 -1.562 -4.372 1.00 0.27 H new ATOM 0 HA2 GLY A 17 11.793 0.192 -6.464 1.00 0.33 H new ATOM 0 HA3 GLY A 17 12.104 -1.532 -6.411 1.00 0.33 H new ATOM 259 N ALA A 18 9.141 -1.655 -7.095 1.00 0.42 N ATOM 260 CA ALA A 18 8.080 -1.989 -8.044 1.00 0.54 C ATOM 261 C ALA A 18 7.060 -0.848 -8.256 1.00 0.53 C ATOM 262 O ALA A 18 6.750 -0.535 -9.402 1.00 0.76 O ATOM 263 CB ALA A 18 7.415 -3.294 -7.586 1.00 0.74 C ATOM 0 H ALA A 18 8.938 -1.972 -6.147 1.00 0.42 H new ATOM 0 HA ALA A 18 8.527 -2.131 -9.028 1.00 0.54 H new ATOM 0 HB1 ALA A 18 6.620 -3.561 -8.282 1.00 0.74 H new ATOM 0 HB2 ALA A 18 8.158 -4.091 -7.561 1.00 0.74 H new ATOM 0 HB3 ALA A 18 6.995 -3.158 -6.589 1.00 0.74 H new ATOM 269 N PHE A 19 6.561 -0.189 -7.191 1.00 0.51 N ATOM 270 CA PHE A 19 5.773 1.059 -7.341 1.00 0.62 C ATOM 271 C PHE A 19 6.651 2.242 -7.805 1.00 0.79 C ATOM 272 O PHE A 19 6.093 3.218 -8.296 1.00 1.09 O ATOM 273 CB PHE A 19 5.142 1.525 -6.016 1.00 0.55 C ATOM 274 CG PHE A 19 3.811 0.990 -5.505 1.00 0.55 C ATOM 275 CD1 PHE A 19 3.401 -0.331 -5.737 1.00 1.82 C ATOM 276 CD2 PHE A 19 3.010 1.827 -4.688 1.00 2.20 C ATOM 277 CE1 PHE A 19 2.249 -0.813 -5.094 1.00 1.59 C ATOM 278 CE2 PHE A 19 1.875 1.327 -4.021 1.00 2.48 C ATOM 279 CZ PHE A 19 1.507 -0.010 -4.216 1.00 0.93 C ATOM 0 H PHE A 19 6.686 -0.493 -6.225 1.00 0.51 H new ATOM 0 HA PHE A 19 5.007 0.807 -8.075 1.00 0.62 H new ATOM 0 HB2 PHE A 19 5.877 1.327 -5.235 1.00 0.55 H new ATOM 0 HB3 PHE A 19 5.035 2.607 -6.086 1.00 0.55 H new ATOM 0 HD1 PHE A 19 3.964 -0.970 -6.402 1.00 1.82 H new ATOM 0 HD2 PHE A 19 3.275 2.868 -4.575 1.00 2.20 H new ATOM 0 HE1 PHE A 19 1.927 -1.827 -5.280 1.00 1.59 H new ATOM 0 HE2 PHE A 19 1.297 1.965 -3.369 1.00 2.48 H new ATOM 0 HZ PHE A 19 0.656 -0.421 -3.693 1.00 0.93 H new ATOM 289 N SER A 20 7.984 2.211 -7.613 1.00 0.65 N ATOM 290 CA SER A 20 8.945 3.298 -7.908 1.00 0.72 C ATOM 291 C SER A 20 9.081 3.620 -9.416 1.00 0.79 C ATOM 292 O SER A 20 10.174 3.591 -9.988 1.00 0.76 O ATOM 293 CB SER A 20 10.302 2.967 -7.263 1.00 0.74 C ATOM 294 OG SER A 20 11.280 3.899 -7.674 1.00 1.92 O ATOM 0 H SER A 20 8.446 1.387 -7.229 1.00 0.65 H new ATOM 0 HA SER A 20 8.549 4.214 -7.469 1.00 0.72 H new ATOM 0 HB2 SER A 20 10.209 2.982 -6.177 1.00 0.74 H new ATOM 0 HB3 SER A 20 10.609 1.959 -7.543 1.00 0.74 H new ATOM 0 HG SER A 20 11.390 3.850 -8.647 1.00 1.92 H new ATOM 300 N ALA A 21 7.960 3.972 -10.039 1.00 1.00 N ATOM 301 CA ALA A 21 7.708 4.057 -11.468 1.00 1.36 C ATOM 302 C ALA A 21 6.640 5.138 -11.763 1.00 1.64 C ATOM 303 O ALA A 21 5.725 4.917 -12.555 1.00 3.53 O ATOM 304 CB ALA A 21 7.287 2.652 -11.924 1.00 1.40 C ATOM 0 H ALA A 21 7.130 4.228 -9.503 1.00 1.00 H new ATOM 0 HA ALA A 21 8.594 4.365 -12.023 1.00 1.36 H new ATOM 0 HB1 ALA A 21 7.085 2.662 -12.995 1.00 1.40 H new ATOM 0 HB2 ALA A 21 8.089 1.945 -11.713 1.00 1.40 H new ATOM 0 HB3 ALA A 21 6.387 2.350 -11.388 1.00 1.40 H new ATOM 310 N THR A 22 6.783 6.294 -11.093 1.00 1.01 N ATOM 311 CA THR A 22 6.003 7.546 -11.193 1.00 1.15 C ATOM 312 C THR A 22 4.488 7.396 -10.994 1.00 1.46 C ATOM 313 O THR A 22 3.954 7.769 -9.949 1.00 2.90 O ATOM 314 CB THR A 22 6.365 8.359 -12.465 1.00 1.20 C ATOM 315 OG1 THR A 22 6.163 7.657 -13.679 1.00 1.08 O ATOM 316 CG2 THR A 22 7.843 8.762 -12.459 1.00 1.74 C ATOM 0 H THR A 22 7.522 6.387 -10.396 1.00 1.01 H new ATOM 0 HA THR A 22 6.317 8.131 -10.328 1.00 1.15 H new ATOM 0 HB THR A 22 5.696 9.218 -12.427 1.00 1.20 H new ATOM 0 HG1 THR A 22 5.495 8.126 -14.221 1.00 1.08 H new ATOM 0 HG21 THR A 22 8.069 9.330 -13.361 1.00 1.74 H new ATOM 0 HG22 THR A 22 8.049 9.376 -11.582 1.00 1.74 H new ATOM 0 HG23 THR A 22 8.464 7.867 -12.429 1.00 1.74 H new ATOM 324 N ASP A 23 3.808 6.906 -12.028 1.00 0.97 N ATOM 325 CA ASP A 23 2.371 6.827 -12.244 1.00 1.12 C ATOM 326 C ASP A 23 1.916 5.419 -12.660 1.00 0.97 C ATOM 327 O ASP A 23 0.720 5.203 -12.850 1.00 1.38 O ATOM 328 CB ASP A 23 1.946 7.898 -13.276 1.00 1.50 C ATOM 329 CG ASP A 23 3.083 8.762 -13.852 1.00 2.80 C ATOM 330 OD1 ASP A 23 3.976 8.205 -14.534 1.00 3.74 O ATOM 331 OD2 ASP A 23 3.119 9.970 -13.518 1.00 3.78 O ATOM 0 H ASP A 23 4.311 6.511 -12.823 1.00 0.97 H new ATOM 0 HA ASP A 23 1.871 7.030 -11.297 1.00 1.12 H new ATOM 0 HB2 ASP A 23 1.440 7.399 -14.102 1.00 1.50 H new ATOM 0 HB3 ASP A 23 1.216 8.558 -12.807 1.00 1.50 H new ATOM 336 N SER A 24 2.854 4.469 -12.788 1.00 0.75 N ATOM 337 CA SER A 24 2.597 3.081 -13.177 1.00 0.93 C ATOM 338 C SER A 24 1.645 2.373 -12.211 1.00 1.46 C ATOM 339 O SER A 24 0.681 1.758 -12.665 1.00 3.19 O ATOM 340 CB SER A 24 3.930 2.326 -13.255 1.00 0.77 C ATOM 341 OG SER A 24 3.775 1.045 -13.830 1.00 1.57 O ATOM 0 H SER A 24 3.842 4.655 -12.618 1.00 0.75 H new ATOM 0 HA SER A 24 2.110 3.089 -14.152 1.00 0.93 H new ATOM 0 HB2 SER A 24 4.642 2.905 -13.844 1.00 0.77 H new ATOM 0 HB3 SER A 24 4.350 2.227 -12.254 1.00 0.77 H new ATOM 0 HG SER A 24 4.645 0.595 -13.865 1.00 1.57 H new ATOM 347 N PHE A 25 1.912 2.484 -10.896 1.00 0.83 N ATOM 348 CA PHE A 25 1.327 1.721 -9.786 1.00 0.70 C ATOM 349 C PHE A 25 1.500 0.200 -9.898 1.00 0.96 C ATOM 350 O PHE A 25 1.574 -0.336 -11.001 1.00 2.15 O ATOM 351 CB PHE A 25 -0.180 2.037 -9.708 1.00 0.85 C ATOM 352 CG PHE A 25 -0.901 1.664 -8.435 1.00 1.17 C ATOM 353 CD1 PHE A 25 -0.284 1.774 -7.172 1.00 1.59 C ATOM 354 CD2 PHE A 25 -2.237 1.234 -8.530 1.00 2.97 C ATOM 355 CE1 PHE A 25 -0.990 1.389 -6.024 1.00 1.59 C ATOM 356 CE2 PHE A 25 -2.945 0.875 -7.377 1.00 3.39 C ATOM 357 CZ PHE A 25 -2.309 0.929 -6.129 1.00 2.03 C ATOM 0 H PHE A 25 2.595 3.163 -10.560 1.00 0.83 H new ATOM 0 HA PHE A 25 1.865 2.028 -8.889 1.00 0.70 H new ATOM 0 HB2 PHE A 25 -0.309 3.108 -9.867 1.00 0.85 H new ATOM 0 HB3 PHE A 25 -0.674 1.530 -10.537 1.00 0.85 H new ATOM 0 HD1 PHE A 25 0.724 2.152 -7.090 1.00 1.59 H new ATOM 0 HD2 PHE A 25 -2.718 1.181 -9.496 1.00 2.97 H new ATOM 0 HE1 PHE A 25 -0.516 1.447 -5.055 1.00 1.59 H new ATOM 0 HE2 PHE A 25 -3.975 0.558 -7.449 1.00 3.39 H new ATOM 0 HZ PHE A 25 -2.839 0.614 -5.243 1.00 2.03 H new ATOM 367 N ASP A 26 1.476 -0.532 -8.765 1.00 0.99 N ATOM 368 CA ASP A 26 1.319 -1.991 -8.846 1.00 1.02 C ATOM 369 C ASP A 26 0.889 -2.726 -7.553 1.00 0.93 C ATOM 370 O ASP A 26 1.417 -3.793 -7.253 1.00 0.82 O ATOM 371 CB ASP A 26 2.565 -2.638 -9.512 1.00 1.17 C ATOM 372 CG ASP A 26 2.182 -3.661 -10.596 1.00 1.38 C ATOM 373 OD1 ASP A 26 0.987 -4.041 -10.682 1.00 2.52 O ATOM 374 OD2 ASP A 26 3.112 -4.131 -11.285 1.00 2.27 O ATOM 0 H ASP A 26 1.560 -0.153 -7.822 1.00 0.99 H new ATOM 0 HA ASP A 26 0.447 -2.132 -9.484 1.00 1.02 H new ATOM 0 HB2 ASP A 26 3.184 -1.858 -9.954 1.00 1.17 H new ATOM 0 HB3 ASP A 26 3.168 -3.129 -8.749 1.00 1.17 H new ATOM 379 N HIS A 27 -0.091 -2.210 -6.788 1.00 1.09 N ATOM 380 CA HIS A 27 -0.630 -2.812 -5.539 1.00 1.00 C ATOM 381 C HIS A 27 -0.543 -4.345 -5.423 1.00 0.94 C ATOM 382 O HIS A 27 0.216 -4.861 -4.604 1.00 0.83 O ATOM 383 CB HIS A 27 -2.056 -2.321 -5.243 1.00 0.99 C ATOM 384 CG HIS A 27 -3.049 -2.289 -6.390 1.00 1.57 C ATOM 385 ND1 HIS A 27 -2.799 -2.422 -7.743 1.00 2.73 N ATOM 386 CD2 HIS A 27 -4.371 -1.965 -6.259 1.00 2.63 C ATOM 387 CE1 HIS A 27 -3.947 -2.188 -8.401 1.00 3.50 C ATOM 388 NE2 HIS A 27 -4.936 -1.935 -7.537 1.00 3.34 N ATOM 0 H HIS A 27 -0.551 -1.331 -7.025 1.00 1.09 H new ATOM 0 HA HIS A 27 0.053 -2.448 -4.772 1.00 1.00 H new ATOM 0 HB2 HIS A 27 -2.471 -2.954 -4.459 1.00 0.99 H new ATOM 0 HB3 HIS A 27 -1.984 -1.313 -4.835 1.00 0.99 H new ATOM 0 HD1 HIS A 27 -1.901 -2.656 -8.167 1.00 2.73 H new ATOM 0 HD2 HIS A 27 -4.888 -1.767 -5.331 1.00 2.63 H new ATOM 0 HE1 HIS A 27 -4.056 -2.202 -9.475 1.00 3.50 H new ATOM 396 N LYS A 28 -1.290 -5.084 -6.247 1.00 1.10 N ATOM 397 CA LYS A 28 -1.292 -6.547 -6.292 1.00 1.25 C ATOM 398 C LYS A 28 0.093 -7.174 -6.519 1.00 0.97 C ATOM 399 O LYS A 28 0.385 -8.234 -5.970 1.00 0.79 O ATOM 400 CB LYS A 28 -2.347 -7.005 -7.306 1.00 1.72 C ATOM 401 CG LYS A 28 -1.951 -6.981 -8.790 1.00 1.13 C ATOM 402 CD LYS A 28 -1.636 -5.603 -9.398 1.00 2.02 C ATOM 403 CE LYS A 28 -2.421 -5.287 -10.674 1.00 2.24 C ATOM 404 NZ LYS A 28 -3.889 -5.320 -10.445 1.00 3.24 N ATOM 0 H LYS A 28 -1.930 -4.667 -6.922 1.00 1.10 H new ATOM 0 HA LYS A 28 -1.564 -6.919 -5.304 1.00 1.25 H new ATOM 0 HB2 LYS A 28 -2.641 -8.023 -7.051 1.00 1.72 H new ATOM 0 HB3 LYS A 28 -3.230 -6.378 -7.182 1.00 1.72 H new ATOM 0 HG2 LYS A 28 -1.076 -7.618 -8.919 1.00 1.13 H new ATOM 0 HG3 LYS A 28 -2.760 -7.430 -9.366 1.00 1.13 H new ATOM 0 HD2 LYS A 28 -1.847 -4.834 -8.655 1.00 2.02 H new ATOM 0 HD3 LYS A 28 -0.570 -5.550 -9.618 1.00 2.02 H new ATOM 0 HE2 LYS A 28 -2.133 -4.302 -11.043 1.00 2.24 H new ATOM 0 HE3 LYS A 28 -2.158 -6.007 -11.449 1.00 2.24 H new ATOM 0 HZ1 LYS A 28 -4.366 -4.746 -11.169 1.00 3.24 H new ATOM 0 HZ2 LYS A 28 -4.227 -6.302 -10.502 1.00 3.24 H new ATOM 0 HZ3 LYS A 28 -4.102 -4.935 -9.503 1.00 3.24 H new ATOM 418 N LYS A 29 0.959 -6.544 -7.318 1.00 1.02 N ATOM 419 CA LYS A 29 2.310 -7.013 -7.655 1.00 0.86 C ATOM 420 C LYS A 29 3.272 -6.734 -6.502 1.00 0.58 C ATOM 421 O LYS A 29 3.965 -7.646 -6.064 1.00 0.58 O ATOM 422 CB LYS A 29 2.757 -6.314 -8.946 1.00 1.06 C ATOM 423 CG LYS A 29 3.636 -7.147 -9.893 1.00 0.98 C ATOM 424 CD LYS A 29 2.907 -7.507 -11.201 1.00 2.13 C ATOM 425 CE LYS A 29 1.759 -8.498 -10.971 1.00 3.95 C ATOM 426 NZ LYS A 29 1.094 -8.857 -12.246 1.00 5.42 N ATOM 0 H LYS A 29 0.731 -5.657 -7.767 1.00 1.02 H new ATOM 0 HA LYS A 29 2.308 -8.091 -7.816 1.00 0.86 H new ATOM 0 HB2 LYS A 29 1.868 -5.998 -9.491 1.00 1.06 H new ATOM 0 HB3 LYS A 29 3.303 -5.410 -8.676 1.00 1.06 H new ATOM 0 HG2 LYS A 29 4.543 -6.590 -10.127 1.00 0.98 H new ATOM 0 HG3 LYS A 29 3.945 -8.062 -9.388 1.00 0.98 H new ATOM 0 HD2 LYS A 29 2.514 -6.599 -11.658 1.00 2.13 H new ATOM 0 HD3 LYS A 29 3.619 -7.936 -11.906 1.00 2.13 H new ATOM 0 HE2 LYS A 29 2.144 -9.399 -10.493 1.00 3.95 H new ATOM 0 HE3 LYS A 29 1.030 -8.061 -10.288 1.00 3.95 H new ATOM 0 HZ1 LYS A 29 0.322 -9.528 -12.058 1.00 5.42 H new ATOM 0 HZ2 LYS A 29 0.707 -7.999 -12.689 1.00 5.42 H new ATOM 0 HZ3 LYS A 29 1.786 -9.296 -12.887 1.00 5.42 H new ATOM 440 N PHE A 30 3.229 -5.519 -5.942 1.00 0.48 N ATOM 441 CA PHE A 30 3.900 -5.144 -4.693 1.00 0.39 C ATOM 442 C PHE A 30 3.538 -6.112 -3.572 1.00 0.42 C ATOM 443 O PHE A 30 4.432 -6.664 -2.945 1.00 0.47 O ATOM 444 CB PHE A 30 3.511 -3.711 -4.321 1.00 0.51 C ATOM 445 CG PHE A 30 4.179 -3.110 -3.094 1.00 0.61 C ATOM 446 CD1 PHE A 30 3.897 -3.585 -1.796 1.00 1.76 C ATOM 447 CD2 PHE A 30 5.074 -2.036 -3.251 1.00 2.21 C ATOM 448 CE1 PHE A 30 4.582 -3.062 -0.686 1.00 1.73 C ATOM 449 CE2 PHE A 30 5.731 -1.491 -2.137 1.00 2.40 C ATOM 450 CZ PHE A 30 5.516 -2.030 -0.863 1.00 1.09 C ATOM 0 H PHE A 30 2.710 -4.746 -6.359 1.00 0.48 H new ATOM 0 HA PHE A 30 4.979 -5.196 -4.837 1.00 0.39 H new ATOM 0 HB2 PHE A 30 3.729 -3.069 -5.174 1.00 0.51 H new ATOM 0 HB3 PHE A 30 2.432 -3.682 -4.168 1.00 0.51 H new ATOM 0 HD1 PHE A 30 3.152 -4.354 -1.655 1.00 1.76 H new ATOM 0 HD2 PHE A 30 5.257 -1.629 -4.234 1.00 2.21 H new ATOM 0 HE1 PHE A 30 4.390 -3.454 0.302 1.00 1.73 H new ATOM 0 HE2 PHE A 30 6.403 -0.655 -2.263 1.00 2.40 H new ATOM 0 HZ PHE A 30 6.069 -1.651 -0.016 1.00 1.09 H new ATOM 460 N PHE A 31 2.243 -6.349 -3.322 1.00 0.47 N ATOM 461 CA PHE A 31 1.802 -7.230 -2.240 1.00 0.55 C ATOM 462 C PHE A 31 2.261 -8.684 -2.426 1.00 0.56 C ATOM 463 O PHE A 31 2.365 -9.415 -1.444 1.00 0.64 O ATOM 464 CB PHE A 31 0.283 -7.183 -2.072 1.00 0.71 C ATOM 465 CG PHE A 31 -0.258 -6.064 -1.190 1.00 0.88 C ATOM 466 CD1 PHE A 31 0.104 -4.720 -1.413 1.00 2.43 C ATOM 467 CD2 PHE A 31 -1.178 -6.363 -0.164 1.00 1.79 C ATOM 468 CE1 PHE A 31 -0.386 -3.703 -0.576 1.00 2.72 C ATOM 469 CE2 PHE A 31 -1.674 -5.349 0.673 1.00 1.72 C ATOM 470 CZ PHE A 31 -1.257 -4.023 0.479 1.00 1.41 C ATOM 0 H PHE A 31 1.480 -5.938 -3.860 1.00 0.47 H new ATOM 0 HA PHE A 31 2.276 -6.851 -1.335 1.00 0.55 H new ATOM 0 HB2 PHE A 31 -0.169 -7.091 -3.060 1.00 0.71 H new ATOM 0 HB3 PHE A 31 -0.046 -8.136 -1.658 1.00 0.71 H new ATOM 0 HD1 PHE A 31 0.762 -4.470 -2.232 1.00 2.43 H new ATOM 0 HD2 PHE A 31 -1.505 -7.382 -0.020 1.00 1.79 H new ATOM 0 HE1 PHE A 31 -0.093 -2.677 -0.743 1.00 2.72 H new ATOM 0 HE2 PHE A 31 -2.372 -5.589 1.461 1.00 1.72 H new ATOM 0 HZ PHE A 31 -1.607 -3.246 1.143 1.00 1.41 H new ATOM 480 N GLN A 32 2.561 -9.106 -3.656 1.00 0.54 N ATOM 481 CA GLN A 32 3.206 -10.386 -3.941 1.00 0.57 C ATOM 482 C GLN A 32 4.728 -10.293 -3.735 1.00 0.50 C ATOM 483 O GLN A 32 5.280 -11.102 -2.994 1.00 0.52 O ATOM 484 CB GLN A 32 2.789 -10.849 -5.348 1.00 0.68 C ATOM 485 CG GLN A 32 1.323 -11.320 -5.292 1.00 0.90 C ATOM 486 CD GLN A 32 0.664 -11.515 -6.651 1.00 1.17 C ATOM 487 OE1 GLN A 32 0.090 -12.558 -6.930 1.00 2.60 O ATOM 488 NE2 GLN A 32 0.597 -10.491 -7.474 1.00 1.08 N ATOM 0 H GLN A 32 2.359 -8.559 -4.493 1.00 0.54 H new ATOM 0 HA GLN A 32 2.873 -11.149 -3.238 1.00 0.57 H new ATOM 0 HB2 GLN A 32 2.898 -10.034 -6.063 1.00 0.68 H new ATOM 0 HB3 GLN A 32 3.435 -11.659 -5.687 1.00 0.68 H new ATOM 0 HG2 GLN A 32 1.279 -12.261 -4.744 1.00 0.90 H new ATOM 0 HG3 GLN A 32 0.744 -10.593 -4.724 1.00 0.90 H new ATOM 0 HE21 GLN A 32 1.075 -9.620 -7.244 1.00 1.08 H new ATOM 0 HE22 GLN A 32 0.067 -10.568 -8.342 1.00 1.08 H new ATOM 497 N MET A 33 5.395 -9.283 -4.309 1.00 0.49 N ATOM 498 CA MET A 33 6.842 -9.043 -4.188 1.00 0.47 C ATOM 499 C MET A 33 7.317 -8.808 -2.745 1.00 0.44 C ATOM 500 O MET A 33 8.392 -9.280 -2.392 1.00 0.47 O ATOM 501 CB MET A 33 7.247 -7.841 -5.058 1.00 0.50 C ATOM 502 CG MET A 33 7.103 -8.113 -6.563 1.00 0.78 C ATOM 503 SD MET A 33 8.658 -8.110 -7.498 1.00 1.42 S ATOM 504 CE MET A 33 9.456 -9.596 -6.833 1.00 2.95 C ATOM 0 H MET A 33 4.928 -8.587 -4.890 1.00 0.49 H new ATOM 0 HA MET A 33 7.328 -9.956 -4.532 1.00 0.47 H new ATOM 0 HB2 MET A 33 6.632 -6.982 -4.789 1.00 0.50 H new ATOM 0 HB3 MET A 33 8.281 -7.574 -4.840 1.00 0.50 H new ATOM 0 HG2 MET A 33 6.618 -9.080 -6.697 1.00 0.78 H new ATOM 0 HG3 MET A 33 6.439 -7.362 -6.990 1.00 0.78 H new ATOM 0 HE1 MET A 33 10.426 -9.732 -7.310 1.00 2.95 H new ATOM 0 HE2 MET A 33 9.593 -9.485 -5.757 1.00 2.95 H new ATOM 0 HE3 MET A 33 8.829 -10.465 -7.031 1.00 2.95 H new ATOM 514 N VAL A 34 6.522 -8.110 -1.920 1.00 0.43 N ATOM 515 CA VAL A 34 6.743 -7.882 -0.482 1.00 0.40 C ATOM 516 C VAL A 34 6.301 -9.089 0.375 1.00 0.42 C ATOM 517 O VAL A 34 6.544 -9.121 1.580 1.00 0.45 O ATOM 518 CB VAL A 34 5.973 -6.616 -0.044 1.00 0.43 C ATOM 519 CG1 VAL A 34 4.513 -6.856 0.299 1.00 0.62 C ATOM 520 CG2 VAL A 34 6.637 -5.944 1.149 1.00 0.41 C ATOM 0 H VAL A 34 5.665 -7.667 -2.253 1.00 0.43 H new ATOM 0 HA VAL A 34 7.813 -7.748 -0.324 1.00 0.40 H new ATOM 0 HB VAL A 34 6.005 -5.969 -0.921 1.00 0.43 H new ATOM 0 HG11 VAL A 34 4.050 -5.915 0.596 1.00 0.62 H new ATOM 0 HG12 VAL A 34 3.996 -7.256 -0.573 1.00 0.62 H new ATOM 0 HG13 VAL A 34 4.445 -7.569 1.121 1.00 0.62 H new ATOM 0 HG21 VAL A 34 6.069 -5.057 1.430 1.00 0.41 H new ATOM 0 HG22 VAL A 34 6.665 -6.638 1.989 1.00 0.41 H new ATOM 0 HG23 VAL A 34 7.654 -5.654 0.884 1.00 0.41 H new ATOM 530 N GLY A 35 5.592 -10.055 -0.226 1.00 0.45 N ATOM 531 CA GLY A 35 5.016 -11.216 0.444 1.00 0.50 C ATOM 532 C GLY A 35 3.774 -10.946 1.305 1.00 0.49 C ATOM 533 O GLY A 35 3.382 -11.827 2.054 1.00 0.58 O ATOM 0 H GLY A 35 5.400 -10.043 -1.228 1.00 0.45 H new ATOM 0 HA2 GLY A 35 4.756 -11.956 -0.313 1.00 0.50 H new ATOM 0 HA3 GLY A 35 5.783 -11.663 1.077 1.00 0.50 H new ATOM 537 N LEU A 36 3.123 -9.785 1.203 1.00 0.47 N ATOM 538 CA LEU A 36 2.025 -9.299 2.054 1.00 0.52 C ATOM 539 C LEU A 36 0.880 -10.305 2.186 1.00 0.59 C ATOM 540 O LEU A 36 0.658 -10.881 3.244 1.00 0.54 O ATOM 541 CB LEU A 36 1.527 -7.951 1.490 1.00 0.48 C ATOM 542 CG LEU A 36 1.628 -6.807 2.500 1.00 0.79 C ATOM 543 CD1 LEU A 36 1.617 -5.437 1.814 1.00 0.61 C ATOM 544 CD2 LEU A 36 0.478 -6.960 3.496 1.00 1.27 C ATOM 0 H LEU A 36 3.362 -9.111 0.476 1.00 0.47 H new ATOM 0 HA LEU A 36 2.408 -9.164 3.065 1.00 0.52 H new ATOM 0 HB2 LEU A 36 2.108 -7.698 0.603 1.00 0.48 H new ATOM 0 HB3 LEU A 36 0.490 -8.057 1.172 1.00 0.48 H new ATOM 0 HG LEU A 36 2.581 -6.860 3.027 1.00 0.79 H new ATOM 0 HD11 LEU A 36 1.690 -4.652 2.567 1.00 0.61 H new ATOM 0 HD12 LEU A 36 2.464 -5.365 1.131 1.00 0.61 H new ATOM 0 HD13 LEU A 36 0.689 -5.317 1.255 1.00 0.61 H new ATOM 0 HD21 LEU A 36 0.524 -6.156 4.231 1.00 1.27 H new ATOM 0 HD22 LEU A 36 -0.472 -6.912 2.965 1.00 1.27 H new ATOM 0 HD23 LEU A 36 0.562 -7.921 4.004 1.00 1.27 H new ATOM 556 N LYS A 37 0.195 -10.545 1.068 1.00 0.76 N ATOM 557 CA LYS A 37 -0.827 -11.591 0.884 1.00 0.91 C ATOM 558 C LYS A 37 -0.325 -13.005 1.267 1.00 0.88 C ATOM 559 O LYS A 37 -1.126 -13.853 1.647 1.00 0.96 O ATOM 560 CB LYS A 37 -1.398 -11.492 -0.556 1.00 1.25 C ATOM 561 CG LYS A 37 -1.584 -12.841 -1.274 1.00 1.31 C ATOM 562 CD LYS A 37 -2.357 -12.776 -2.594 1.00 0.90 C ATOM 563 CE LYS A 37 -1.499 -12.316 -3.779 1.00 0.52 C ATOM 564 NZ LYS A 37 -1.883 -12.998 -5.042 1.00 1.01 N ATOM 0 H LYS A 37 0.340 -9.993 0.223 1.00 0.76 H new ATOM 0 HA LYS A 37 -1.645 -11.415 1.583 1.00 0.91 H new ATOM 0 HB2 LYS A 37 -2.361 -10.983 -0.515 1.00 1.25 H new ATOM 0 HB3 LYS A 37 -0.733 -10.868 -1.153 1.00 1.25 H new ATOM 0 HG2 LYS A 37 -0.601 -13.270 -1.468 1.00 1.31 H new ATOM 0 HG3 LYS A 37 -2.102 -13.524 -0.601 1.00 1.31 H new ATOM 0 HD2 LYS A 37 -2.770 -13.761 -2.814 1.00 0.90 H new ATOM 0 HD3 LYS A 37 -3.201 -12.095 -2.480 1.00 0.90 H new ATOM 0 HE2 LYS A 37 -1.601 -11.238 -3.904 1.00 0.52 H new ATOM 0 HE3 LYS A 37 -0.449 -12.514 -3.565 1.00 0.52 H new ATOM 0 HZ1 LYS A 37 -1.071 -13.007 -5.692 1.00 1.01 H new ATOM 0 HZ2 LYS A 37 -2.172 -13.975 -4.835 1.00 1.01 H new ATOM 0 HZ3 LYS A 37 -2.675 -12.490 -5.484 1.00 1.01 H new ATOM 578 N LYS A 38 0.985 -13.265 1.149 1.00 0.86 N ATOM 579 CA LYS A 38 1.654 -14.534 1.493 1.00 0.94 C ATOM 580 C LYS A 38 1.902 -14.677 3.008 1.00 0.78 C ATOM 581 O LYS A 38 1.991 -15.797 3.508 1.00 0.98 O ATOM 582 CB LYS A 38 2.934 -14.663 0.626 1.00 1.17 C ATOM 583 CG LYS A 38 4.222 -15.092 1.352 1.00 1.32 C ATOM 584 CD LYS A 38 5.427 -15.086 0.398 1.00 1.45 C ATOM 585 CE LYS A 38 6.713 -15.536 1.101 1.00 1.88 C ATOM 586 NZ LYS A 38 6.696 -16.989 1.399 1.00 3.36 N ATOM 0 H LYS A 38 1.639 -12.567 0.795 1.00 0.86 H new ATOM 0 HA LYS A 38 1.000 -15.374 1.259 1.00 0.94 H new ATOM 0 HB2 LYS A 38 2.736 -15.383 -0.168 1.00 1.17 H new ATOM 0 HB3 LYS A 38 3.118 -13.702 0.146 1.00 1.17 H new ATOM 0 HG2 LYS A 38 4.413 -14.418 2.187 1.00 1.32 H new ATOM 0 HG3 LYS A 38 4.091 -16.090 1.771 1.00 1.32 H new ATOM 0 HD2 LYS A 38 5.225 -15.745 -0.447 1.00 1.45 H new ATOM 0 HD3 LYS A 38 5.566 -14.083 -0.006 1.00 1.45 H new ATOM 0 HE2 LYS A 38 7.572 -15.304 0.472 1.00 1.88 H new ATOM 0 HE3 LYS A 38 6.836 -14.976 2.028 1.00 1.88 H new ATOM 0 HZ1 LYS A 38 7.608 -17.269 1.812 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 5.932 -17.196 2.073 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 6.536 -17.522 0.520 1.00 3.36 H new ATOM 600 N LYS A 39 2.032 -13.558 3.725 1.00 0.51 N ATOM 601 CA LYS A 39 2.098 -13.445 5.184 1.00 0.47 C ATOM 602 C LYS A 39 0.690 -13.542 5.799 1.00 0.36 C ATOM 603 O LYS A 39 -0.306 -13.720 5.100 1.00 0.34 O ATOM 604 CB LYS A 39 2.806 -12.121 5.538 1.00 0.48 C ATOM 605 CG LYS A 39 4.277 -12.036 5.084 1.00 1.29 C ATOM 606 CD LYS A 39 5.280 -12.537 6.125 1.00 0.63 C ATOM 607 CE LYS A 39 5.586 -14.023 5.976 1.00 1.76 C ATOM 608 NZ LYS A 39 6.324 -14.501 7.164 1.00 2.15 N ATOM 0 H LYS A 39 2.098 -12.647 3.272 1.00 0.51 H new ATOM 0 HA LYS A 39 2.673 -14.270 5.605 1.00 0.47 H new ATOM 0 HB2 LYS A 39 2.253 -11.297 5.087 1.00 0.48 H new ATOM 0 HB3 LYS A 39 2.764 -11.980 6.618 1.00 0.48 H new ATOM 0 HG2 LYS A 39 4.398 -12.616 4.169 1.00 1.29 H new ATOM 0 HG3 LYS A 39 4.511 -11.000 4.838 1.00 1.29 H new ATOM 0 HD2 LYS A 39 6.206 -11.968 6.035 1.00 0.63 H new ATOM 0 HD3 LYS A 39 4.886 -12.349 7.124 1.00 0.63 H new ATOM 0 HE2 LYS A 39 4.659 -14.585 5.861 1.00 1.76 H new ATOM 0 HE3 LYS A 39 6.176 -14.194 5.076 1.00 1.76 H new ATOM 0 HZ1 LYS A 39 6.531 -15.515 7.059 1.00 2.15 H new ATOM 0 HZ2 LYS A 39 7.215 -13.973 7.255 1.00 2.15 H new ATOM 0 HZ3 LYS A 39 5.745 -14.352 8.015 1.00 2.15 H new ATOM 622 N SER A 40 0.612 -13.497 7.132 1.00 0.37 N ATOM 623 CA SER A 40 -0.650 -13.666 7.863 1.00 0.34 C ATOM 624 C SER A 40 -1.583 -12.457 7.707 1.00 0.39 C ATOM 625 O SER A 40 -1.128 -11.331 7.524 1.00 0.43 O ATOM 626 CB SER A 40 -0.345 -13.911 9.343 1.00 0.44 C ATOM 627 OG SER A 40 -1.539 -14.204 10.041 1.00 1.57 O ATOM 0 H SER A 40 1.420 -13.343 7.735 1.00 0.37 H new ATOM 0 HA SER A 40 -1.171 -14.524 7.439 1.00 0.34 H new ATOM 0 HB2 SER A 40 0.358 -14.737 9.446 1.00 0.44 H new ATOM 0 HB3 SER A 40 0.132 -13.031 9.775 1.00 0.44 H new ATOM 0 HG SER A 40 -1.335 -14.361 10.987 1.00 1.57 H new ATOM 633 N ALA A 41 -2.891 -12.661 7.892 1.00 0.46 N ATOM 634 CA ALA A 41 -3.887 -11.587 7.949 1.00 0.54 C ATOM 635 C ALA A 41 -3.545 -10.528 9.010 1.00 0.59 C ATOM 636 O ALA A 41 -3.724 -9.327 8.790 1.00 0.59 O ATOM 637 CB ALA A 41 -5.244 -12.216 8.271 1.00 0.63 C ATOM 0 H ALA A 41 -3.293 -13.591 8.008 1.00 0.46 H new ATOM 0 HA ALA A 41 -3.904 -11.078 6.985 1.00 0.54 H new ATOM 0 HB1 ALA A 41 -6.004 -11.436 8.319 1.00 0.63 H new ATOM 0 HB2 ALA A 41 -5.507 -12.932 7.492 1.00 0.63 H new ATOM 0 HB3 ALA A 41 -5.189 -12.729 9.231 1.00 0.63 H new ATOM 643 N ASP A 42 -3.020 -10.980 10.155 1.00 0.67 N ATOM 644 CA ASP A 42 -2.596 -10.105 11.246 1.00 0.74 C ATOM 645 C ASP A 42 -1.419 -9.203 10.829 1.00 0.75 C ATOM 646 O ASP A 42 -1.325 -8.050 11.252 1.00 0.90 O ATOM 647 CB ASP A 42 -2.242 -10.960 12.475 1.00 0.87 C ATOM 648 CG ASP A 42 -2.759 -10.312 13.761 1.00 1.82 C ATOM 649 OD1 ASP A 42 -2.421 -9.129 13.996 1.00 3.33 O ATOM 650 OD2 ASP A 42 -3.509 -10.985 14.496 1.00 2.16 O ATOM 0 H ASP A 42 -2.878 -11.971 10.348 1.00 0.67 H new ATOM 0 HA ASP A 42 -3.420 -9.439 11.502 1.00 0.74 H new ATOM 0 HB2 ASP A 42 -2.673 -11.955 12.366 1.00 0.87 H new ATOM 0 HB3 ASP A 42 -1.161 -11.086 12.536 1.00 0.87 H new ATOM 655 N ASP A 43 -0.566 -9.704 9.926 1.00 0.69 N ATOM 656 CA ASP A 43 0.507 -8.942 9.294 1.00 0.73 C ATOM 657 C ASP A 43 -0.102 -7.781 8.505 1.00 0.64 C ATOM 658 O ASP A 43 0.150 -6.622 8.835 1.00 0.61 O ATOM 659 CB ASP A 43 1.361 -9.863 8.406 1.00 0.80 C ATOM 660 CG ASP A 43 2.803 -9.392 8.291 1.00 1.26 C ATOM 661 OD1 ASP A 43 3.024 -8.165 8.199 1.00 2.25 O ATOM 662 OD2 ASP A 43 3.675 -10.285 8.294 1.00 2.15 O ATOM 0 H ASP A 43 -0.608 -10.673 9.611 1.00 0.69 H new ATOM 0 HA ASP A 43 1.171 -8.526 10.052 1.00 0.73 H new ATOM 0 HB2 ASP A 43 1.344 -10.873 8.815 1.00 0.80 H new ATOM 0 HB3 ASP A 43 0.919 -9.914 7.411 1.00 0.80 H new ATOM 667 N VAL A 44 -0.995 -8.077 7.544 1.00 0.64 N ATOM 668 CA VAL A 44 -1.704 -7.090 6.738 1.00 0.65 C ATOM 669 C VAL A 44 -2.364 -5.998 7.594 1.00 0.60 C ATOM 670 O VAL A 44 -2.343 -4.830 7.206 1.00 0.62 O ATOM 671 CB VAL A 44 -2.734 -7.760 5.806 1.00 0.79 C ATOM 672 CG1 VAL A 44 -3.093 -6.752 4.719 1.00 1.87 C ATOM 673 CG2 VAL A 44 -2.219 -9.031 5.113 1.00 0.79 C ATOM 0 H VAL A 44 -1.244 -9.037 7.307 1.00 0.64 H new ATOM 0 HA VAL A 44 -0.954 -6.599 6.118 1.00 0.65 H new ATOM 0 HB VAL A 44 -3.582 -8.056 6.424 1.00 0.79 H new ATOM 0 HG11 VAL A 44 -3.822 -7.194 4.040 1.00 1.87 H new ATOM 0 HG12 VAL A 44 -3.518 -5.859 5.177 1.00 1.87 H new ATOM 0 HG13 VAL A 44 -2.196 -6.482 4.163 1.00 1.87 H new ATOM 0 HG21 VAL A 44 -3.003 -9.441 4.476 1.00 0.79 H new ATOM 0 HG22 VAL A 44 -1.348 -8.786 4.505 1.00 0.79 H new ATOM 0 HG23 VAL A 44 -1.941 -9.768 5.866 1.00 0.79 H new ATOM 683 N LYS A 45 -2.875 -6.352 8.786 1.00 0.56 N ATOM 684 CA LYS A 45 -3.335 -5.410 9.819 1.00 0.56 C ATOM 685 C LYS A 45 -2.266 -4.383 10.195 1.00 0.58 C ATOM 686 O LYS A 45 -2.484 -3.188 9.999 1.00 0.75 O ATOM 687 CB LYS A 45 -3.860 -6.172 11.054 1.00 0.62 C ATOM 688 CG LYS A 45 -5.326 -5.850 11.367 1.00 1.07 C ATOM 689 CD LYS A 45 -5.655 -6.231 12.818 1.00 1.42 C ATOM 690 CE LYS A 45 -7.171 -6.280 13.037 1.00 1.89 C ATOM 691 NZ LYS A 45 -7.507 -6.430 14.473 1.00 2.77 N ATOM 0 H LYS A 45 -2.982 -7.328 9.064 1.00 0.56 H new ATOM 0 HA LYS A 45 -4.162 -4.841 9.395 1.00 0.56 H new ATOM 0 HB2 LYS A 45 -3.755 -7.244 10.886 1.00 0.62 H new ATOM 0 HB3 LYS A 45 -3.245 -5.923 11.919 1.00 0.62 H new ATOM 0 HG2 LYS A 45 -5.514 -4.788 11.211 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -5.979 -6.393 10.684 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -5.218 -7.202 13.052 1.00 1.42 H new ATOM 0 HD3 LYS A 45 -5.208 -5.507 13.499 1.00 1.42 H new ATOM 0 HE2 LYS A 45 -7.626 -5.368 12.649 1.00 1.89 H new ATOM 0 HE3 LYS A 45 -7.594 -7.112 12.474 1.00 1.89 H new ATOM 0 HZ1 LYS A 45 -8.540 -6.460 14.586 1.00 2.77 H new ATOM 0 HZ2 LYS A 45 -7.093 -7.312 14.836 1.00 2.77 H new ATOM 0 HZ3 LYS A 45 -7.123 -5.623 15.005 1.00 2.77 H new ATOM 705 N LYS A 46 -1.120 -4.830 10.730 1.00 0.47 N ATOM 706 CA LYS A 46 0.005 -3.949 11.097 1.00 0.49 C ATOM 707 C LYS A 46 0.566 -3.215 9.875 1.00 0.50 C ATOM 708 O LYS A 46 1.014 -2.075 10.011 1.00 0.57 O ATOM 709 CB LYS A 46 1.128 -4.736 11.796 1.00 0.55 C ATOM 710 CG LYS A 46 0.899 -5.003 13.294 1.00 0.91 C ATOM 711 CD LYS A 46 -0.231 -6.001 13.579 1.00 1.30 C ATOM 712 CE LYS A 46 -0.267 -6.389 15.059 1.00 1.55 C ATOM 713 NZ LYS A 46 -1.511 -7.118 15.393 1.00 2.19 N ATOM 0 H LYS A 46 -0.944 -5.816 10.922 1.00 0.47 H new ATOM 0 HA LYS A 46 -0.387 -3.208 11.794 1.00 0.49 H new ATOM 0 HB2 LYS A 46 1.253 -5.692 11.287 1.00 0.55 H new ATOM 0 HB3 LYS A 46 2.063 -4.188 11.679 1.00 0.55 H new ATOM 0 HG2 LYS A 46 1.823 -5.380 13.732 1.00 0.91 H new ATOM 0 HG3 LYS A 46 0.672 -4.060 13.791 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -1.187 -5.563 13.292 1.00 1.30 H new ATOM 0 HD3 LYS A 46 -0.093 -6.894 12.970 1.00 1.30 H new ATOM 0 HE2 LYS A 46 0.596 -7.011 15.295 1.00 1.55 H new ATOM 0 HE3 LYS A 46 -0.192 -5.492 15.674 1.00 1.55 H new ATOM 0 HZ1 LYS A 46 -1.348 -7.719 16.226 1.00 2.19 H new ATOM 0 HZ2 LYS A 46 -2.268 -6.436 15.601 1.00 2.19 H new ATOM 0 HZ3 LYS A 46 -1.792 -7.712 14.587 1.00 2.19 H new ATOM 727 N VAL A 47 0.508 -3.846 8.697 1.00 0.48 N ATOM 728 CA VAL A 47 0.907 -3.252 7.423 1.00 0.49 C ATOM 729 C VAL A 47 0.041 -2.042 7.079 1.00 0.43 C ATOM 730 O VAL A 47 0.554 -0.923 7.098 1.00 0.45 O ATOM 731 CB VAL A 47 0.982 -4.275 6.284 1.00 0.63 C ATOM 732 CG1 VAL A 47 1.336 -3.592 4.962 1.00 0.76 C ATOM 733 CG2 VAL A 47 2.074 -5.316 6.550 1.00 0.85 C ATOM 0 H VAL A 47 0.174 -4.805 8.604 1.00 0.48 H new ATOM 0 HA VAL A 47 1.927 -2.889 7.547 1.00 0.49 H new ATOM 0 HB VAL A 47 0.003 -4.750 6.227 1.00 0.63 H new ATOM 0 HG11 VAL A 47 1.384 -4.338 4.168 1.00 0.76 H new ATOM 0 HG12 VAL A 47 0.573 -2.852 4.719 1.00 0.76 H new ATOM 0 HG13 VAL A 47 2.304 -3.099 5.055 1.00 0.76 H new ATOM 0 HG21 VAL A 47 2.105 -6.029 5.726 1.00 0.85 H new ATOM 0 HG22 VAL A 47 3.039 -4.817 6.635 1.00 0.85 H new ATOM 0 HG23 VAL A 47 1.855 -5.843 7.479 1.00 0.85 H new ATOM 743 N PHE A 48 -1.266 -2.237 6.844 1.00 0.41 N ATOM 744 CA PHE A 48 -2.251 -1.171 6.682 1.00 0.35 C ATOM 745 C PHE A 48 -2.058 -0.042 7.708 1.00 0.32 C ATOM 746 O PHE A 48 -2.039 1.136 7.346 1.00 0.32 O ATOM 747 CB PHE A 48 -3.650 -1.803 6.780 1.00 0.41 C ATOM 748 CG PHE A 48 -4.737 -0.767 6.944 1.00 0.44 C ATOM 749 CD1 PHE A 48 -5.300 -0.163 5.810 1.00 1.57 C ATOM 750 CD2 PHE A 48 -5.082 -0.317 8.235 1.00 1.86 C ATOM 751 CE1 PHE A 48 -6.145 0.943 5.967 1.00 1.56 C ATOM 752 CE2 PHE A 48 -5.901 0.813 8.386 1.00 2.02 C ATOM 753 CZ PHE A 48 -6.403 1.458 7.246 1.00 0.90 C ATOM 0 H PHE A 48 -1.672 -3.169 6.760 1.00 0.41 H new ATOM 0 HA PHE A 48 -2.124 -0.700 5.707 1.00 0.35 H new ATOM 0 HB2 PHE A 48 -3.844 -2.391 5.883 1.00 0.41 H new ATOM 0 HB3 PHE A 48 -3.677 -2.491 7.625 1.00 0.41 H new ATOM 0 HD1 PHE A 48 -5.084 -0.548 4.824 1.00 1.57 H new ATOM 0 HD2 PHE A 48 -4.717 -0.841 9.106 1.00 1.86 H new ATOM 0 HE1 PHE A 48 -6.599 1.401 5.101 1.00 1.56 H new ATOM 0 HE2 PHE A 48 -6.143 1.183 9.372 1.00 2.02 H new ATOM 0 HZ PHE A 48 -6.992 2.357 7.354 1.00 0.90 H new ATOM 763 N HIS A 49 -1.851 -0.401 8.982 1.00 0.34 N ATOM 764 CA HIS A 49 -1.690 0.547 10.079 1.00 0.35 C ATOM 765 C HIS A 49 -0.542 1.543 9.862 1.00 0.47 C ATOM 766 O HIS A 49 -0.635 2.668 10.329 1.00 0.74 O ATOM 767 CB HIS A 49 -1.469 -0.226 11.397 1.00 0.46 C ATOM 768 CG HIS A 49 -2.404 0.072 12.545 1.00 1.01 C ATOM 769 ND1 HIS A 49 -2.374 -0.592 13.753 1.00 1.99 N ATOM 770 CD2 HIS A 49 -3.438 0.973 12.597 1.00 2.33 C ATOM 771 CE1 HIS A 49 -3.365 -0.100 14.515 1.00 2.45 C ATOM 772 NE2 HIS A 49 -4.026 0.860 13.857 1.00 2.68 N ATOM 0 H HIS A 49 -1.791 -1.375 9.278 1.00 0.34 H new ATOM 0 HA HIS A 49 -2.606 1.136 10.126 1.00 0.35 H new ATOM 0 HB2 HIS A 49 -1.535 -1.292 11.177 1.00 0.46 H new ATOM 0 HB3 HIS A 49 -0.451 -0.033 11.734 1.00 0.46 H new ATOM 0 HD2 HIS A 49 -3.741 1.645 11.808 1.00 2.33 H new ATOM 0 HE1 HIS A 49 -3.596 -0.432 15.516 1.00 2.45 H new ATOM 0 HE2 HIS A 49 -4.812 1.406 14.210 1.00 2.68 H new ATOM 780 N MET A 50 0.551 1.156 9.196 1.00 0.45 N ATOM 781 CA MET A 50 1.688 2.053 8.945 1.00 0.63 C ATOM 782 C MET A 50 1.457 2.996 7.756 1.00 0.53 C ATOM 783 O MET A 50 2.129 4.023 7.651 1.00 0.58 O ATOM 784 CB MET A 50 2.907 1.196 8.636 1.00 0.81 C ATOM 785 CG MET A 50 4.249 1.918 8.744 1.00 1.05 C ATOM 786 SD MET A 50 4.975 1.952 10.400 1.00 1.20 S ATOM 787 CE MET A 50 6.472 2.891 9.994 1.00 1.76 C ATOM 0 H MET A 50 0.674 0.217 8.817 1.00 0.45 H new ATOM 0 HA MET A 50 1.824 2.669 9.834 1.00 0.63 H new ATOM 0 HB2 MET A 50 2.915 0.344 9.315 1.00 0.81 H new ATOM 0 HB3 MET A 50 2.806 0.798 7.626 1.00 0.81 H new ATOM 0 HG2 MET A 50 4.956 1.441 8.065 1.00 1.05 H new ATOM 0 HG3 MET A 50 4.120 2.944 8.400 1.00 1.05 H new ATOM 0 HE1 MET A 50 7.072 3.026 10.894 1.00 1.76 H new ATOM 0 HE2 MET A 50 7.052 2.346 9.249 1.00 1.76 H new ATOM 0 HE3 MET A 50 6.193 3.866 9.595 1.00 1.76 H new ATOM 797 N LEU A 51 0.548 2.629 6.850 1.00 0.46 N ATOM 798 CA LEU A 51 0.102 3.454 5.728 1.00 0.42 C ATOM 799 C LEU A 51 -0.809 4.574 6.251 1.00 0.44 C ATOM 800 O LEU A 51 -0.702 5.721 5.827 1.00 0.50 O ATOM 801 CB LEU A 51 -0.667 2.572 4.731 1.00 0.45 C ATOM 802 CG LEU A 51 -0.038 1.210 4.375 1.00 0.72 C ATOM 803 CD1 LEU A 51 -0.872 0.537 3.282 1.00 1.98 C ATOM 804 CD2 LEU A 51 1.440 1.284 3.975 1.00 1.99 C ATOM 0 H LEU A 51 0.088 1.719 6.879 1.00 0.46 H new ATOM 0 HA LEU A 51 0.962 3.899 5.227 1.00 0.42 H new ATOM 0 HB2 LEU A 51 -1.662 2.390 5.136 1.00 0.45 H new ATOM 0 HB3 LEU A 51 -0.797 3.137 3.808 1.00 0.45 H new ATOM 0 HG LEU A 51 -0.052 0.609 5.284 1.00 0.72 H new ATOM 0 HD11 LEU A 51 -0.430 -0.426 3.028 1.00 1.98 H new ATOM 0 HD12 LEU A 51 -1.890 0.385 3.642 1.00 1.98 H new ATOM 0 HD13 LEU A 51 -0.891 1.172 2.396 1.00 1.98 H new ATOM 0 HD21 LEU A 51 1.804 0.284 3.741 1.00 1.99 H new ATOM 0 HD22 LEU A 51 1.548 1.924 3.099 1.00 1.99 H new ATOM 0 HD23 LEU A 51 2.020 1.697 4.800 1.00 1.99 H new ATOM 816 N ASP A 52 -1.668 4.218 7.211 1.00 0.43 N ATOM 817 CA ASP A 52 -2.498 5.096 8.027 1.00 0.49 C ATOM 818 C ASP A 52 -1.604 5.926 8.991 1.00 0.52 C ATOM 819 O ASP A 52 -1.379 5.557 10.141 1.00 0.77 O ATOM 820 CB ASP A 52 -3.567 4.200 8.718 1.00 0.55 C ATOM 821 CG ASP A 52 -5.001 4.728 8.625 1.00 0.83 C ATOM 822 OD1 ASP A 52 -5.368 5.330 7.588 1.00 2.31 O ATOM 823 OD2 ASP A 52 -5.774 4.560 9.591 1.00 1.83 O ATOM 0 H ASP A 52 -1.808 3.237 7.452 1.00 0.43 H new ATOM 0 HA ASP A 52 -3.030 5.845 7.441 1.00 0.49 H new ATOM 0 HB2 ASP A 52 -3.531 3.206 8.273 1.00 0.55 H new ATOM 0 HB3 ASP A 52 -3.303 4.088 9.770 1.00 0.55 H new ATOM 828 N LYS A 53 -1.086 7.075 8.522 1.00 0.52 N ATOM 829 CA LYS A 53 -0.296 8.097 9.244 1.00 0.65 C ATOM 830 C LYS A 53 -1.052 8.753 10.421 1.00 0.78 C ATOM 831 O LYS A 53 -0.486 9.584 11.126 1.00 1.25 O ATOM 832 CB LYS A 53 0.162 9.193 8.250 1.00 1.05 C ATOM 833 CG LYS A 53 1.132 8.731 7.152 1.00 1.19 C ATOM 834 CD LYS A 53 2.515 8.320 7.685 1.00 1.37 C ATOM 835 CE LYS A 53 2.666 6.805 7.574 1.00 2.89 C ATOM 836 NZ LYS A 53 4.035 6.330 7.876 1.00 3.93 N ATOM 0 H LYS A 53 -1.219 7.338 7.545 1.00 0.52 H new ATOM 0 HA LYS A 53 0.559 7.578 9.677 1.00 0.65 H new ATOM 0 HB2 LYS A 53 -0.721 9.618 7.774 1.00 1.05 H new ATOM 0 HB3 LYS A 53 0.637 9.995 8.815 1.00 1.05 H new ATOM 0 HG2 LYS A 53 0.691 7.887 6.621 1.00 1.19 H new ATOM 0 HG3 LYS A 53 1.256 9.535 6.426 1.00 1.19 H new ATOM 0 HD2 LYS A 53 3.300 8.818 7.116 1.00 1.37 H new ATOM 0 HD3 LYS A 53 2.626 8.633 8.723 1.00 1.37 H new ATOM 0 HE2 LYS A 53 1.964 6.326 8.256 1.00 2.89 H new ATOM 0 HE3 LYS A 53 2.395 6.493 6.566 1.00 2.89 H new ATOM 0 HZ1 LYS A 53 4.034 5.293 7.950 1.00 3.93 H new ATOM 0 HZ2 LYS A 53 4.680 6.622 7.114 1.00 3.93 H new ATOM 0 HZ3 LYS A 53 4.354 6.741 8.776 1.00 3.93 H new ATOM 850 N ASP A 54 -2.306 8.361 10.638 1.00 0.94 N ATOM 851 CA ASP A 54 -3.281 8.852 11.614 1.00 1.17 C ATOM 852 C ASP A 54 -3.865 7.747 12.522 1.00 1.25 C ATOM 853 O ASP A 54 -4.250 8.030 13.655 1.00 1.58 O ATOM 854 CB ASP A 54 -4.408 9.530 10.812 1.00 1.27 C ATOM 855 CG ASP A 54 -5.077 8.605 9.780 1.00 1.38 C ATOM 856 OD1 ASP A 54 -4.683 7.433 9.585 1.00 1.96 O ATOM 857 OD2 ASP A 54 -6.027 8.989 9.064 1.00 2.04 O ATOM 0 H ASP A 54 -2.708 7.612 10.075 1.00 0.94 H new ATOM 0 HA ASP A 54 -2.779 9.542 12.292 1.00 1.17 H new ATOM 0 HB2 ASP A 54 -5.166 9.895 11.505 1.00 1.27 H new ATOM 0 HB3 ASP A 54 -4.002 10.401 10.297 1.00 1.27 H new ATOM 862 N LYS A 55 -3.918 6.499 12.031 1.00 1.09 N ATOM 863 CA LYS A 55 -4.547 5.307 12.626 1.00 1.27 C ATOM 864 C LYS A 55 -6.063 5.470 12.813 1.00 1.20 C ATOM 865 O LYS A 55 -6.623 5.090 13.839 1.00 1.59 O ATOM 866 CB LYS A 55 -3.785 4.828 13.882 1.00 1.71 C ATOM 867 CG LYS A 55 -2.261 4.841 13.649 1.00 1.67 C ATOM 868 CD LYS A 55 -1.477 3.675 14.273 1.00 1.91 C ATOM 869 CE LYS A 55 -0.577 3.128 13.164 1.00 2.23 C ATOM 870 NZ LYS A 55 0.349 2.075 13.619 1.00 3.24 N ATOM 0 H LYS A 55 -3.487 6.278 11.133 1.00 1.09 H new ATOM 0 HA LYS A 55 -4.457 4.490 11.910 1.00 1.27 H new ATOM 0 HB2 LYS A 55 -4.032 5.471 14.727 1.00 1.71 H new ATOM 0 HB3 LYS A 55 -4.107 3.820 14.143 1.00 1.71 H new ATOM 0 HG2 LYS A 55 -2.077 4.843 12.575 1.00 1.67 H new ATOM 0 HG3 LYS A 55 -1.861 5.775 14.043 1.00 1.67 H new ATOM 0 HD2 LYS A 55 -0.885 4.014 15.123 1.00 1.91 H new ATOM 0 HD3 LYS A 55 -2.153 2.904 14.642 1.00 1.91 H new ATOM 0 HE2 LYS A 55 -1.202 2.730 12.364 1.00 2.23 H new ATOM 0 HE3 LYS A 55 0.001 3.949 12.739 1.00 2.23 H new ATOM 0 HZ1 LYS A 55 0.927 1.751 12.817 1.00 3.24 H new ATOM 0 HZ2 LYS A 55 0.969 2.456 14.362 1.00 3.24 H new ATOM 0 HZ3 LYS A 55 -0.195 1.274 13.999 1.00 3.24 H new ATOM 884 N SER A 56 -6.731 6.021 11.791 1.00 0.84 N ATOM 885 CA SER A 56 -8.190 6.188 11.740 1.00 0.73 C ATOM 886 C SER A 56 -8.951 4.941 11.268 1.00 0.73 C ATOM 887 O SER A 56 -10.157 4.852 11.497 1.00 0.78 O ATOM 888 CB SER A 56 -8.559 7.372 10.839 1.00 0.71 C ATOM 889 OG SER A 56 -8.362 7.097 9.461 1.00 0.85 O ATOM 0 H SER A 56 -6.261 6.372 10.956 1.00 0.84 H new ATOM 0 HA SER A 56 -8.497 6.372 12.770 1.00 0.73 H new ATOM 0 HB2 SER A 56 -9.603 7.638 11.006 1.00 0.71 H new ATOM 0 HB3 SER A 56 -7.960 8.238 11.121 1.00 0.71 H new ATOM 0 HG SER A 56 -7.616 7.635 9.123 1.00 0.85 H new ATOM 895 N GLY A 57 -8.275 3.989 10.611 1.00 0.77 N ATOM 896 CA GLY A 57 -8.877 2.782 10.038 1.00 0.85 C ATOM 897 C GLY A 57 -9.189 2.888 8.540 1.00 0.66 C ATOM 898 O GLY A 57 -9.685 1.925 7.960 1.00 0.64 O ATOM 0 H GLY A 57 -7.267 4.040 10.460 1.00 0.77 H new ATOM 0 HA2 GLY A 57 -8.202 1.941 10.199 1.00 0.85 H new ATOM 0 HA3 GLY A 57 -9.799 2.559 10.575 1.00 0.85 H new ATOM 902 N PHE A 58 -8.888 4.030 7.905 1.00 0.61 N ATOM 903 CA PHE A 58 -9.242 4.333 6.512 1.00 0.55 C ATOM 904 C PHE A 58 -8.134 5.152 5.840 1.00 0.55 C ATOM 905 O PHE A 58 -7.856 6.260 6.297 1.00 0.80 O ATOM 906 CB PHE A 58 -10.562 5.129 6.499 1.00 0.58 C ATOM 907 CG PHE A 58 -11.689 4.534 7.321 1.00 0.63 C ATOM 908 CD1 PHE A 58 -12.520 3.541 6.769 1.00 2.18 C ATOM 909 CD2 PHE A 58 -11.876 4.938 8.657 1.00 1.69 C ATOM 910 CE1 PHE A 58 -13.534 2.956 7.549 1.00 2.28 C ATOM 911 CE2 PHE A 58 -12.878 4.342 9.442 1.00 1.75 C ATOM 912 CZ PHE A 58 -13.709 3.354 8.887 1.00 1.02 C ATOM 0 H PHE A 58 -8.378 4.788 8.359 1.00 0.61 H new ATOM 0 HA PHE A 58 -9.361 3.401 5.959 1.00 0.55 H new ATOM 0 HB2 PHE A 58 -10.362 6.137 6.863 1.00 0.58 H new ATOM 0 HB3 PHE A 58 -10.899 5.224 5.467 1.00 0.58 H new ATOM 0 HD1 PHE A 58 -12.379 3.228 5.745 1.00 2.18 H new ATOM 0 HD2 PHE A 58 -11.248 5.708 9.080 1.00 1.69 H new ATOM 0 HE1 PHE A 58 -14.178 2.202 7.121 1.00 2.28 H new ATOM 0 HE2 PHE A 58 -13.009 4.643 10.471 1.00 1.75 H new ATOM 0 HZ PHE A 58 -14.483 2.900 9.488 1.00 1.02 H new ATOM 922 N ILE A 59 -7.503 4.645 4.771 1.00 0.40 N ATOM 923 CA ILE A 59 -6.521 5.426 3.988 1.00 0.40 C ATOM 924 C ILE A 59 -7.247 6.206 2.877 1.00 0.37 C ATOM 925 O ILE A 59 -8.102 5.663 2.176 1.00 0.40 O ATOM 926 CB ILE A 59 -5.421 4.520 3.392 1.00 0.47 C ATOM 927 CG1 ILE A 59 -4.642 3.723 4.460 1.00 0.76 C ATOM 928 CG2 ILE A 59 -4.402 5.311 2.553 1.00 0.63 C ATOM 929 CD1 ILE A 59 -4.066 2.433 3.864 1.00 1.03 C ATOM 0 H ILE A 59 -7.652 3.697 4.425 1.00 0.40 H new ATOM 0 HA ILE A 59 -6.030 6.131 4.659 1.00 0.40 H new ATOM 0 HB ILE A 59 -5.965 3.822 2.756 1.00 0.47 H new ATOM 0 HG12 ILE A 59 -3.835 4.336 4.861 1.00 0.76 H new ATOM 0 HG13 ILE A 59 -5.302 3.481 5.293 1.00 0.76 H new ATOM 0 HG21 ILE A 59 -3.650 4.629 2.156 1.00 0.63 H new ATOM 0 HG22 ILE A 59 -4.915 5.805 1.728 1.00 0.63 H new ATOM 0 HG23 ILE A 59 -3.918 6.060 3.180 1.00 0.63 H new ATOM 0 HD11 ILE A 59 -3.521 1.888 4.635 1.00 1.03 H new ATOM 0 HD12 ILE A 59 -4.878 1.812 3.486 1.00 1.03 H new ATOM 0 HD13 ILE A 59 -3.388 2.681 3.047 1.00 1.03 H new ATOM 941 N GLU A 60 -6.845 7.467 2.701 1.00 0.40 N ATOM 942 CA GLU A 60 -7.366 8.506 1.809 1.00 0.43 C ATOM 943 C GLU A 60 -6.211 9.281 1.130 1.00 0.37 C ATOM 944 O GLU A 60 -5.052 9.110 1.515 1.00 0.38 O ATOM 945 CB GLU A 60 -8.264 9.453 2.626 1.00 0.59 C ATOM 946 CG GLU A 60 -7.537 10.204 3.763 1.00 1.47 C ATOM 947 CD GLU A 60 -8.259 10.012 5.103 1.00 1.07 C ATOM 948 OE1 GLU A 60 -9.370 10.567 5.249 1.00 1.94 O ATOM 949 OE2 GLU A 60 -7.717 9.271 5.956 1.00 1.07 O ATOM 0 H GLU A 60 -6.057 7.825 3.241 1.00 0.40 H new ATOM 0 HA GLU A 60 -7.954 8.045 1.015 1.00 0.43 H new ATOM 0 HB2 GLU A 60 -8.708 10.184 1.951 1.00 0.59 H new ATOM 0 HB3 GLU A 60 -9.083 8.876 3.055 1.00 0.59 H new ATOM 0 HG2 GLU A 60 -6.512 9.843 3.844 1.00 1.47 H new ATOM 0 HG3 GLU A 60 -7.483 11.266 3.525 1.00 1.47 H new ATOM 956 N GLU A 61 -6.517 10.149 0.148 1.00 0.44 N ATOM 957 CA GLU A 61 -5.562 10.885 -0.716 1.00 0.49 C ATOM 958 C GLU A 61 -4.379 11.534 0.026 1.00 0.55 C ATOM 959 O GLU A 61 -3.252 11.480 -0.467 1.00 0.62 O ATOM 960 CB GLU A 61 -6.314 11.935 -1.554 1.00 0.66 C ATOM 961 CG GLU A 61 -7.031 11.333 -2.778 1.00 2.31 C ATOM 962 CD GLU A 61 -6.189 11.435 -4.063 1.00 3.53 C ATOM 963 OE1 GLU A 61 -5.319 10.555 -4.272 1.00 4.94 O ATOM 964 OE2 GLU A 61 -6.417 12.396 -4.830 1.00 3.75 O ATOM 0 H GLU A 61 -7.486 10.371 -0.080 1.00 0.44 H new ATOM 0 HA GLU A 61 -5.110 10.132 -1.361 1.00 0.49 H new ATOM 0 HB2 GLU A 61 -7.047 12.438 -0.923 1.00 0.66 H new ATOM 0 HB3 GLU A 61 -5.609 12.695 -1.891 1.00 0.66 H new ATOM 0 HG2 GLU A 61 -7.262 10.286 -2.581 1.00 2.31 H new ATOM 0 HG3 GLU A 61 -7.981 11.847 -2.928 1.00 2.31 H new ATOM 971 N ASP A 62 -4.622 12.087 1.223 1.00 0.55 N ATOM 972 CA ASP A 62 -3.622 12.702 2.110 1.00 0.64 C ATOM 973 C ASP A 62 -2.444 11.768 2.433 1.00 0.64 C ATOM 974 O ASP A 62 -1.299 12.204 2.514 1.00 0.96 O ATOM 975 CB ASP A 62 -4.340 13.125 3.402 1.00 0.70 C ATOM 976 CG ASP A 62 -3.440 13.945 4.329 1.00 1.77 C ATOM 977 OD1 ASP A 62 -3.159 15.107 3.961 1.00 2.42 O ATOM 978 OD2 ASP A 62 -3.074 13.412 5.399 1.00 3.18 O ATOM 0 H ASP A 62 -5.562 12.120 1.617 1.00 0.55 H new ATOM 0 HA ASP A 62 -3.187 13.560 1.598 1.00 0.64 H new ATOM 0 HB2 ASP A 62 -5.224 13.710 3.148 1.00 0.70 H new ATOM 0 HB3 ASP A 62 -4.686 12.236 3.929 1.00 0.70 H new ATOM 983 N GLU A 63 -2.724 10.470 2.569 1.00 0.48 N ATOM 984 CA GLU A 63 -1.738 9.409 2.777 1.00 0.51 C ATOM 985 C GLU A 63 -1.371 8.747 1.454 1.00 0.46 C ATOM 986 O GLU A 63 -0.199 8.482 1.191 1.00 0.45 O ATOM 987 CB GLU A 63 -2.351 8.388 3.743 1.00 0.60 C ATOM 988 CG GLU A 63 -2.253 8.952 5.162 1.00 0.66 C ATOM 989 CD GLU A 63 -3.262 8.385 6.156 1.00 0.96 C ATOM 990 OE1 GLU A 63 -4.320 7.813 5.791 1.00 1.20 O ATOM 991 OE2 GLU A 63 -2.974 8.533 7.358 1.00 2.38 O ATOM 0 H GLU A 63 -3.680 10.116 2.536 1.00 0.48 H new ATOM 0 HA GLU A 63 -0.820 9.822 3.196 1.00 0.51 H new ATOM 0 HB2 GLU A 63 -3.392 8.195 3.482 1.00 0.60 H new ATOM 0 HB3 GLU A 63 -1.824 7.436 3.675 1.00 0.60 H new ATOM 0 HG2 GLU A 63 -1.248 8.765 5.542 1.00 0.66 H new ATOM 0 HG3 GLU A 63 -2.381 10.034 5.116 1.00 0.66 H new ATOM 998 N LEU A 64 -2.373 8.522 0.601 1.00 0.45 N ATOM 999 CA LEU A 64 -2.260 7.930 -0.721 1.00 0.41 C ATOM 1000 C LEU A 64 -1.187 8.588 -1.595 1.00 0.38 C ATOM 1001 O LEU A 64 -0.465 7.880 -2.287 1.00 0.52 O ATOM 1002 CB LEU A 64 -3.637 8.030 -1.384 1.00 0.48 C ATOM 1003 CG LEU A 64 -4.080 6.733 -2.029 1.00 0.49 C ATOM 1004 CD1 LEU A 64 -4.585 5.731 -0.997 1.00 1.05 C ATOM 1005 CD2 LEU A 64 -5.216 7.012 -3.002 1.00 1.25 C ATOM 0 H LEU A 64 -3.336 8.764 0.834 1.00 0.45 H new ATOM 0 HA LEU A 64 -1.942 6.893 -0.614 1.00 0.41 H new ATOM 0 HB2 LEU A 64 -4.373 8.328 -0.637 1.00 0.48 H new ATOM 0 HB3 LEU A 64 -3.614 8.816 -2.139 1.00 0.48 H new ATOM 0 HG LEU A 64 -3.214 6.312 -2.540 1.00 0.49 H new ATOM 0 HD11 LEU A 64 -4.893 4.814 -1.500 1.00 1.05 H new ATOM 0 HD12 LEU A 64 -3.788 5.506 -0.288 1.00 1.05 H new ATOM 0 HD13 LEU A 64 -5.436 6.155 -0.464 1.00 1.05 H new ATOM 0 HD21 LEU A 64 -5.535 6.079 -3.466 1.00 1.25 H new ATOM 0 HD22 LEU A 64 -6.055 7.455 -2.465 1.00 1.25 H new ATOM 0 HD23 LEU A 64 -4.873 7.702 -3.773 1.00 1.25 H new ATOM 1017 N GLY A 65 -1.025 9.912 -1.515 1.00 0.35 N ATOM 1018 CA GLY A 65 0.037 10.641 -2.216 1.00 0.41 C ATOM 1019 C GLY A 65 1.470 10.155 -1.928 1.00 0.39 C ATOM 1020 O GLY A 65 2.353 10.376 -2.755 1.00 0.54 O ATOM 0 H GLY A 65 -1.632 10.513 -0.958 1.00 0.35 H new ATOM 0 HA2 GLY A 65 -0.144 10.571 -3.289 1.00 0.41 H new ATOM 0 HA3 GLY A 65 -0.032 11.696 -1.949 1.00 0.41 H new ATOM 1024 N PHE A 66 1.731 9.496 -0.789 1.00 0.34 N ATOM 1025 CA PHE A 66 3.071 9.013 -0.418 1.00 0.38 C ATOM 1026 C PHE A 66 3.043 7.755 0.476 1.00 0.39 C ATOM 1027 O PHE A 66 3.956 7.526 1.267 1.00 0.51 O ATOM 1028 CB PHE A 66 3.901 10.170 0.173 1.00 0.41 C ATOM 1029 CG PHE A 66 3.308 10.858 1.391 1.00 0.41 C ATOM 1030 CD1 PHE A 66 2.387 11.909 1.227 1.00 1.64 C ATOM 1031 CD2 PHE A 66 3.692 10.466 2.689 1.00 1.32 C ATOM 1032 CE1 PHE A 66 1.840 12.551 2.352 1.00 1.70 C ATOM 1033 CE2 PHE A 66 3.154 11.116 3.814 1.00 1.40 C ATOM 1034 CZ PHE A 66 2.223 12.156 3.645 1.00 0.76 C ATOM 0 H PHE A 66 1.015 9.282 -0.095 1.00 0.34 H new ATOM 0 HA PHE A 66 3.570 8.676 -1.327 1.00 0.38 H new ATOM 0 HB2 PHE A 66 4.885 9.786 0.440 1.00 0.41 H new ATOM 0 HB3 PHE A 66 4.051 10.918 -0.605 1.00 0.41 H new ATOM 0 HD1 PHE A 66 2.100 12.223 0.235 1.00 1.64 H new ATOM 0 HD2 PHE A 66 4.402 9.663 2.820 1.00 1.32 H new ATOM 0 HE1 PHE A 66 1.124 13.349 2.222 1.00 1.70 H new ATOM 0 HE2 PHE A 66 3.456 10.817 4.807 1.00 1.40 H new ATOM 0 HZ PHE A 66 1.803 12.651 4.508 1.00 0.76 H new ATOM 1044 N ILE A 67 2.026 6.898 0.327 1.00 0.38 N ATOM 1045 CA ILE A 67 1.784 5.652 1.072 1.00 0.36 C ATOM 1046 C ILE A 67 3.024 4.745 1.176 1.00 0.43 C ATOM 1047 O ILE A 67 3.254 4.127 2.219 1.00 0.48 O ATOM 1048 CB ILE A 67 0.505 4.991 0.496 1.00 0.43 C ATOM 1049 CG1 ILE A 67 0.170 3.644 1.146 1.00 1.05 C ATOM 1050 CG2 ILE A 67 0.495 4.842 -1.028 1.00 1.08 C ATOM 1051 CD1 ILE A 67 0.865 2.441 0.502 1.00 0.58 C ATOM 0 H ILE A 67 1.297 7.067 -0.366 1.00 0.38 H new ATOM 0 HA ILE A 67 1.596 5.871 2.123 1.00 0.36 H new ATOM 0 HB ILE A 67 -0.275 5.706 0.756 1.00 0.43 H new ATOM 0 HG12 ILE A 67 0.444 3.685 2.200 1.00 1.05 H new ATOM 0 HG13 ILE A 67 -0.908 3.491 1.102 1.00 1.05 H new ATOM 0 HG21 ILE A 67 -0.436 4.371 -1.341 1.00 1.08 H new ATOM 0 HG22 ILE A 67 0.577 5.826 -1.490 1.00 1.08 H new ATOM 0 HG23 ILE A 67 1.337 4.223 -1.339 1.00 1.08 H new ATOM 0 HD11 ILE A 67 0.572 1.530 1.023 1.00 0.58 H new ATOM 0 HD12 ILE A 67 0.573 2.370 -0.546 1.00 0.58 H new ATOM 0 HD13 ILE A 67 1.946 2.566 0.569 1.00 0.58 H new ATOM 1063 N LEU A 68 3.880 4.727 0.148 1.00 0.48 N ATOM 1064 CA LEU A 68 5.167 4.028 0.167 1.00 0.55 C ATOM 1065 C LEU A 68 6.078 4.426 1.342 1.00 0.51 C ATOM 1066 O LEU A 68 6.869 3.599 1.793 1.00 0.53 O ATOM 1067 CB LEU A 68 5.894 4.264 -1.161 1.00 0.68 C ATOM 1068 CG LEU A 68 5.308 3.548 -2.380 1.00 0.87 C ATOM 1069 CD1 LEU A 68 6.096 4.008 -3.605 1.00 1.24 C ATOM 1070 CD2 LEU A 68 5.413 2.028 -2.248 1.00 1.65 C ATOM 0 H LEU A 68 3.694 5.205 -0.733 1.00 0.48 H new ATOM 0 HA LEU A 68 4.944 2.970 0.305 1.00 0.55 H new ATOM 0 HB2 LEU A 68 5.903 5.335 -1.363 1.00 0.68 H new ATOM 0 HB3 LEU A 68 6.932 3.953 -1.045 1.00 0.68 H new ATOM 0 HG LEU A 68 4.250 3.794 -2.468 1.00 0.87 H new ATOM 0 HD11 LEU A 68 5.704 3.516 -4.495 1.00 1.24 H new ATOM 0 HD12 LEU A 68 6.000 5.088 -3.715 1.00 1.24 H new ATOM 0 HD13 LEU A 68 7.147 3.748 -3.480 1.00 1.24 H new ATOM 0 HD21 LEU A 68 4.986 1.556 -3.133 1.00 1.65 H new ATOM 0 HD22 LEU A 68 6.461 1.742 -2.154 1.00 1.65 H new ATOM 0 HD23 LEU A 68 4.867 1.701 -1.363 1.00 1.65 H new ATOM 1082 N LYS A 69 5.945 5.651 1.873 1.00 0.50 N ATOM 1083 CA LYS A 69 6.694 6.173 3.027 1.00 0.57 C ATOM 1084 C LYS A 69 6.236 5.549 4.361 1.00 0.61 C ATOM 1085 O LYS A 69 6.755 5.895 5.422 1.00 0.88 O ATOM 1086 CB LYS A 69 6.613 7.715 3.016 1.00 0.80 C ATOM 1087 CG LYS A 69 7.940 8.450 3.264 1.00 0.62 C ATOM 1088 CD LYS A 69 8.513 8.274 4.674 1.00 1.48 C ATOM 1089 CE LYS A 69 9.637 9.288 4.904 1.00 1.50 C ATOM 1090 NZ LYS A 69 10.179 9.191 6.279 1.00 2.55 N ATOM 0 H LYS A 69 5.287 6.332 1.495 1.00 0.50 H new ATOM 0 HA LYS A 69 7.740 5.881 2.937 1.00 0.57 H new ATOM 0 HB2 LYS A 69 6.216 8.034 2.052 1.00 0.80 H new ATOM 0 HB3 LYS A 69 5.897 8.029 3.775 1.00 0.80 H new ATOM 0 HG2 LYS A 69 8.676 8.098 2.541 1.00 0.62 H new ATOM 0 HG3 LYS A 69 7.792 9.513 3.076 1.00 0.62 H new ATOM 0 HD2 LYS A 69 7.727 8.413 5.416 1.00 1.48 H new ATOM 0 HD3 LYS A 69 8.893 7.260 4.799 1.00 1.48 H new ATOM 0 HE2 LYS A 69 10.437 9.117 4.183 1.00 1.50 H new ATOM 0 HE3 LYS A 69 9.261 10.296 4.730 1.00 1.50 H new ATOM 0 HZ1 LYS A 69 10.938 9.891 6.403 1.00 2.55 H new ATOM 0 HZ2 LYS A 69 9.420 9.378 6.965 1.00 2.55 H new ATOM 0 HZ3 LYS A 69 10.559 8.236 6.436 1.00 2.55 H new ATOM 1104 N GLY A 70 5.277 4.617 4.326 1.00 0.51 N ATOM 1105 CA GLY A 70 5.101 3.601 5.362 1.00 0.55 C ATOM 1106 C GLY A 70 5.965 2.371 5.117 1.00 0.66 C ATOM 1107 O GLY A 70 6.677 1.949 6.024 1.00 1.03 O ATOM 0 H GLY A 70 4.596 4.549 3.569 1.00 0.51 H new ATOM 0 HA2 GLY A 70 5.349 4.029 6.333 1.00 0.55 H new ATOM 0 HA3 GLY A 70 4.053 3.304 5.402 1.00 0.55 H new ATOM 1111 N PHE A 71 5.917 1.819 3.898 1.00 0.48 N ATOM 1112 CA PHE A 71 6.670 0.630 3.500 1.00 0.52 C ATOM 1113 C PHE A 71 8.190 0.758 3.670 1.00 0.57 C ATOM 1114 O PHE A 71 8.830 -0.224 4.051 1.00 0.74 O ATOM 1115 CB PHE A 71 6.283 0.212 2.078 1.00 0.49 C ATOM 1116 CG PHE A 71 4.875 -0.352 1.933 1.00 0.52 C ATOM 1117 CD1 PHE A 71 4.494 -1.501 2.652 1.00 1.45 C ATOM 1118 CD2 PHE A 71 3.977 0.190 0.995 1.00 1.65 C ATOM 1119 CE1 PHE A 71 3.236 -2.084 2.432 1.00 1.49 C ATOM 1120 CE2 PHE A 71 2.732 -0.415 0.750 1.00 1.72 C ATOM 1121 CZ PHE A 71 2.353 -1.552 1.479 1.00 0.79 C ATOM 0 H PHE A 71 5.340 2.197 3.147 1.00 0.48 H new ATOM 0 HA PHE A 71 6.387 -0.162 4.193 1.00 0.52 H new ATOM 0 HB2 PHE A 71 6.381 1.077 1.422 1.00 0.49 H new ATOM 0 HB3 PHE A 71 6.995 -0.535 1.729 1.00 0.49 H new ATOM 0 HD1 PHE A 71 5.170 -1.934 3.374 1.00 1.45 H new ATOM 0 HD2 PHE A 71 4.249 1.085 0.455 1.00 1.65 H new ATOM 0 HE1 PHE A 71 2.944 -2.953 3.003 1.00 1.49 H new ATOM 0 HE2 PHE A 71 2.069 -0.005 0.002 1.00 1.72 H new ATOM 0 HZ PHE A 71 1.392 -2.014 1.309 1.00 0.79 H new ATOM 1131 N SER A 72 8.785 1.930 3.400 1.00 0.48 N ATOM 1132 CA SER A 72 10.223 2.177 3.571 1.00 0.49 C ATOM 1133 C SER A 72 10.560 3.642 3.259 1.00 0.44 C ATOM 1134 O SER A 72 9.678 4.388 2.826 1.00 0.49 O ATOM 1135 CB SER A 72 10.988 1.223 2.641 1.00 0.63 C ATOM 1136 OG SER A 72 11.803 0.348 3.389 1.00 0.82 O ATOM 0 H SER A 72 8.274 2.742 3.053 1.00 0.48 H new ATOM 0 HA SER A 72 10.515 1.992 4.605 1.00 0.49 H new ATOM 0 HB2 SER A 72 10.283 0.648 2.041 1.00 0.63 H new ATOM 0 HB3 SER A 72 11.602 1.797 1.948 1.00 0.63 H new ATOM 0 HG SER A 72 12.281 -0.253 2.781 1.00 0.82 H new ATOM 1142 N PRO A 73 11.817 4.092 3.434 1.00 0.47 N ATOM 1143 CA PRO A 73 12.296 5.273 2.728 1.00 0.50 C ATOM 1144 C PRO A 73 12.425 4.982 1.221 1.00 0.47 C ATOM 1145 O PRO A 73 12.111 3.896 0.740 1.00 0.47 O ATOM 1146 CB PRO A 73 13.626 5.623 3.400 1.00 0.58 C ATOM 1147 CG PRO A 73 14.170 4.263 3.826 1.00 0.64 C ATOM 1148 CD PRO A 73 12.915 3.451 4.151 1.00 0.60 C ATOM 0 HA PRO A 73 11.611 6.119 2.788 1.00 0.50 H new ATOM 0 HB2 PRO A 73 14.303 6.130 2.713 1.00 0.58 H new ATOM 0 HB3 PRO A 73 13.484 6.285 4.254 1.00 0.58 H new ATOM 0 HG2 PRO A 73 14.752 3.798 3.030 1.00 0.64 H new ATOM 0 HG3 PRO A 73 14.826 4.348 4.692 1.00 0.64 H new ATOM 0 HD2 PRO A 73 13.031 2.413 3.838 1.00 0.60 H new ATOM 0 HD3 PRO A 73 12.725 3.441 5.224 1.00 0.60 H new ATOM 1156 N ASP A 74 12.800 6.007 0.456 1.00 0.55 N ATOM 1157 CA ASP A 74 12.988 6.003 -1.011 1.00 0.61 C ATOM 1158 C ASP A 74 11.679 5.818 -1.805 1.00 0.61 C ATOM 1159 O ASP A 74 11.666 5.872 -3.029 1.00 0.74 O ATOM 1160 CB ASP A 74 14.111 5.032 -1.416 1.00 0.75 C ATOM 1161 CG ASP A 74 15.404 5.367 -0.669 1.00 2.19 C ATOM 1162 OD1 ASP A 74 15.976 6.433 -0.988 1.00 2.68 O ATOM 1163 OD2 ASP A 74 15.780 4.586 0.235 1.00 3.80 O ATOM 0 H ASP A 74 12.995 6.923 0.860 1.00 0.55 H new ATOM 0 HA ASP A 74 13.317 7.002 -1.297 1.00 0.61 H new ATOM 0 HB2 ASP A 74 13.811 4.008 -1.195 1.00 0.75 H new ATOM 0 HB3 ASP A 74 14.280 5.090 -2.491 1.00 0.75 H new ATOM 1168 N ALA A 75 10.572 5.720 -1.067 1.00 0.61 N ATOM 1169 CA ALA A 75 9.162 5.782 -1.412 1.00 0.63 C ATOM 1170 C ALA A 75 8.787 6.801 -2.494 1.00 0.88 C ATOM 1171 O ALA A 75 8.238 6.429 -3.528 1.00 1.85 O ATOM 1172 CB ALA A 75 8.473 6.132 -0.090 1.00 0.62 C ATOM 0 H ALA A 75 10.668 5.573 -0.062 1.00 0.61 H new ATOM 0 HA ALA A 75 8.854 4.834 -1.852 1.00 0.63 H new ATOM 0 HB1 ALA A 75 7.397 6.202 -0.248 1.00 0.62 H new ATOM 0 HB2 ALA A 75 8.682 5.356 0.646 1.00 0.62 H new ATOM 0 HB3 ALA A 75 8.849 7.088 0.274 1.00 0.62 H new ATOM 1178 N ARG A 76 9.084 8.082 -2.226 1.00 0.52 N ATOM 1179 CA ARG A 76 8.742 9.276 -3.017 1.00 0.49 C ATOM 1180 C ARG A 76 7.236 9.572 -3.069 1.00 0.45 C ATOM 1181 O ARG A 76 6.387 8.762 -2.700 1.00 0.60 O ATOM 1182 CB ARG A 76 9.345 9.227 -4.446 1.00 0.59 C ATOM 1183 CG ARG A 76 10.629 8.391 -4.569 1.00 0.73 C ATOM 1184 CD ARG A 76 11.477 8.724 -5.798 1.00 0.93 C ATOM 1185 NE ARG A 76 12.485 9.743 -5.453 1.00 1.48 N ATOM 1186 CZ ARG A 76 13.323 10.371 -6.263 1.00 2.18 C ATOM 1187 NH1 ARG A 76 13.283 10.201 -7.563 1.00 2.74 N ATOM 1188 NH2 ARG A 76 14.227 11.184 -5.767 1.00 2.93 N ATOM 0 H ARG A 76 9.609 8.330 -1.387 1.00 0.52 H new ATOM 0 HA ARG A 76 9.202 10.107 -2.483 1.00 0.49 H new ATOM 0 HB2 ARG A 76 8.597 8.823 -5.128 1.00 0.59 H new ATOM 0 HB3 ARG A 76 9.557 10.245 -4.772 1.00 0.59 H new ATOM 0 HG2 ARG A 76 11.233 8.539 -3.674 1.00 0.73 H new ATOM 0 HG3 ARG A 76 10.360 7.335 -4.602 1.00 0.73 H new ATOM 0 HD2 ARG A 76 11.969 7.824 -6.166 1.00 0.93 H new ATOM 0 HD3 ARG A 76 10.839 9.089 -6.602 1.00 0.93 H new ATOM 0 HE ARG A 76 12.544 9.996 -4.467 1.00 1.48 H new ATOM 0 HH11 ARG A 76 12.594 9.572 -7.974 1.00 2.74 H new ATOM 0 HH12 ARG A 76 13.941 10.698 -8.163 1.00 2.74 H new ATOM 0 HH21 ARG A 76 14.283 11.331 -4.759 1.00 2.93 H new ATOM 0 HH22 ARG A 76 14.873 11.669 -6.390 1.00 2.93 H new ATOM 1202 N ASP A 77 6.924 10.775 -3.540 1.00 0.42 N ATOM 1203 CA ASP A 77 5.591 11.252 -3.884 1.00 0.41 C ATOM 1204 C ASP A 77 5.079 10.503 -5.125 1.00 0.39 C ATOM 1205 O ASP A 77 5.675 10.585 -6.201 1.00 0.48 O ATOM 1206 CB ASP A 77 5.654 12.769 -4.140 1.00 0.52 C ATOM 1207 CG ASP A 77 6.493 13.502 -3.086 1.00 2.01 C ATOM 1208 OD1 ASP A 77 7.740 13.387 -3.179 1.00 3.33 O ATOM 1209 OD2 ASP A 77 5.886 14.128 -2.192 1.00 3.00 O ATOM 0 H ASP A 77 7.639 11.485 -3.701 1.00 0.42 H new ATOM 0 HA ASP A 77 4.898 11.062 -3.064 1.00 0.41 H new ATOM 0 HB2 ASP A 77 6.076 12.951 -5.128 1.00 0.52 H new ATOM 0 HB3 ASP A 77 4.643 13.177 -4.145 1.00 0.52 H new ATOM 1214 N LEU A 78 3.988 9.751 -4.973 1.00 0.38 N ATOM 1215 CA LEU A 78 3.298 9.111 -6.094 1.00 0.43 C ATOM 1216 C LEU A 78 2.697 10.173 -7.029 1.00 0.37 C ATOM 1217 O LEU A 78 2.169 11.187 -6.563 1.00 0.43 O ATOM 1218 CB LEU A 78 2.179 8.179 -5.592 1.00 0.57 C ATOM 1219 CG LEU A 78 2.541 7.175 -4.486 1.00 0.69 C ATOM 1220 CD1 LEU A 78 1.414 6.151 -4.346 1.00 0.99 C ATOM 1221 CD2 LEU A 78 3.827 6.399 -4.760 1.00 1.38 C ATOM 0 H LEU A 78 3.557 9.568 -4.067 1.00 0.38 H new ATOM 0 HA LEU A 78 4.030 8.518 -6.642 1.00 0.43 H new ATOM 0 HB2 LEU A 78 1.360 8.800 -5.229 1.00 0.57 H new ATOM 0 HB3 LEU A 78 1.799 7.618 -6.446 1.00 0.57 H new ATOM 0 HG LEU A 78 2.687 7.764 -3.580 1.00 0.69 H new ATOM 0 HD11 LEU A 78 1.667 5.437 -3.562 1.00 0.99 H new ATOM 0 HD12 LEU A 78 0.488 6.663 -4.085 1.00 0.99 H new ATOM 0 HD13 LEU A 78 1.283 5.622 -5.290 1.00 0.99 H new ATOM 0 HD21 LEU A 78 4.019 5.710 -3.937 1.00 1.38 H new ATOM 0 HD22 LEU A 78 3.722 5.836 -5.688 1.00 1.38 H new ATOM 0 HD23 LEU A 78 4.660 7.096 -4.851 1.00 1.38 H new ATOM 1233 N SER A 79 2.712 9.935 -8.346 1.00 0.46 N ATOM 1234 CA SER A 79 2.071 10.853 -9.293 1.00 0.47 C ATOM 1235 C SER A 79 0.564 10.981 -9.061 1.00 0.38 C ATOM 1236 O SER A 79 -0.108 10.034 -8.643 1.00 0.39 O ATOM 1237 CB SER A 79 2.251 10.364 -10.727 1.00 0.56 C ATOM 1238 OG SER A 79 3.510 10.679 -11.268 1.00 2.24 O ATOM 0 H SER A 79 3.156 9.124 -8.776 1.00 0.46 H new ATOM 0 HA SER A 79 2.552 11.818 -9.134 1.00 0.47 H new ATOM 0 HB2 SER A 79 2.111 9.283 -10.755 1.00 0.56 H new ATOM 0 HB3 SER A 79 1.474 10.802 -11.353 1.00 0.56 H new ATOM 0 HG SER A 79 3.435 10.766 -12.241 1.00 2.24 H new ATOM 1244 N ALA A 80 0.010 12.116 -9.510 1.00 0.40 N ATOM 1245 CA ALA A 80 -1.428 12.371 -9.574 1.00 0.47 C ATOM 1246 C ALA A 80 -2.202 11.228 -10.261 1.00 0.52 C ATOM 1247 O ALA A 80 -3.270 10.834 -9.797 1.00 0.64 O ATOM 1248 CB ALA A 80 -1.659 13.709 -10.287 1.00 0.65 C ATOM 0 H ALA A 80 0.568 12.900 -9.847 1.00 0.40 H new ATOM 0 HA ALA A 80 -1.817 12.422 -8.557 1.00 0.47 H new ATOM 0 HB1 ALA A 80 -2.728 13.912 -10.342 1.00 0.65 H new ATOM 0 HB2 ALA A 80 -1.166 14.507 -9.732 1.00 0.65 H new ATOM 0 HB3 ALA A 80 -1.247 13.660 -11.295 1.00 0.65 H new ATOM 1254 N LYS A 81 -1.653 10.671 -11.352 1.00 0.54 N ATOM 1255 CA LYS A 81 -2.264 9.546 -12.075 1.00 0.65 C ATOM 1256 C LYS A 81 -2.168 8.230 -11.302 1.00 0.75 C ATOM 1257 O LYS A 81 -3.085 7.417 -11.413 1.00 0.94 O ATOM 1258 CB LYS A 81 -1.663 9.354 -13.479 1.00 0.64 C ATOM 1259 CG LYS A 81 -1.370 10.633 -14.276 1.00 0.57 C ATOM 1260 CD LYS A 81 -2.633 11.507 -14.432 1.00 1.52 C ATOM 1261 CE LYS A 81 -2.486 12.624 -15.470 1.00 1.88 C ATOM 1262 NZ LYS A 81 -1.450 13.616 -15.096 1.00 3.11 N ATOM 0 H LYS A 81 -0.773 10.989 -11.757 1.00 0.54 H new ATOM 0 HA LYS A 81 -3.316 9.813 -12.178 1.00 0.65 H new ATOM 0 HB2 LYS A 81 -0.734 8.793 -13.379 1.00 0.64 H new ATOM 0 HB3 LYS A 81 -2.347 8.737 -14.062 1.00 0.64 H new ATOM 0 HG2 LYS A 81 -0.591 11.205 -13.773 1.00 0.57 H new ATOM 0 HG3 LYS A 81 -0.986 10.369 -15.261 1.00 0.57 H new ATOM 0 HD2 LYS A 81 -3.472 10.870 -14.713 1.00 1.52 H new ATOM 0 HD3 LYS A 81 -2.879 11.950 -13.467 1.00 1.52 H new ATOM 0 HE2 LYS A 81 -2.233 12.187 -16.436 1.00 1.88 H new ATOM 0 HE3 LYS A 81 -3.443 13.131 -15.591 1.00 1.88 H new ATOM 0 HZ1 LYS A 81 -1.391 14.350 -15.831 1.00 3.11 H new ATOM 0 HZ2 LYS A 81 -1.702 14.055 -14.188 1.00 3.11 H new ATOM 0 HZ3 LYS A 81 -0.530 13.140 -15.007 1.00 3.11 H new ATOM 1276 N GLU A 82 -1.108 8.044 -10.500 1.00 0.68 N ATOM 1277 CA GLU A 82 -0.997 6.879 -9.627 1.00 0.67 C ATOM 1278 C GLU A 82 -2.111 6.941 -8.587 1.00 0.58 C ATOM 1279 O GLU A 82 -2.994 6.084 -8.586 1.00 0.61 O ATOM 1280 CB GLU A 82 0.389 6.734 -8.947 1.00 0.72 C ATOM 1281 CG GLU A 82 0.728 5.241 -8.998 1.00 0.85 C ATOM 1282 CD GLU A 82 2.110 4.798 -8.515 1.00 1.88 C ATOM 1283 OE1 GLU A 82 2.230 4.498 -7.307 1.00 2.34 O ATOM 1284 OE2 GLU A 82 2.978 4.597 -9.398 1.00 3.29 O ATOM 0 H GLU A 82 -0.319 8.688 -10.442 1.00 0.68 H new ATOM 0 HA GLU A 82 -1.101 5.991 -10.250 1.00 0.67 H new ATOM 0 HB2 GLU A 82 1.143 7.324 -9.468 1.00 0.72 H new ATOM 0 HB3 GLU A 82 0.359 7.093 -7.918 1.00 0.72 H new ATOM 0 HG2 GLU A 82 -0.018 4.710 -8.407 1.00 0.85 H new ATOM 0 HG3 GLU A 82 0.613 4.908 -10.030 1.00 0.85 H new ATOM 1291 N THR A 83 -2.098 7.996 -7.756 1.00 0.56 N ATOM 1292 CA THR A 83 -3.051 8.196 -6.658 1.00 0.58 C ATOM 1293 C THR A 83 -4.506 8.179 -7.150 1.00 0.54 C ATOM 1294 O THR A 83 -5.340 7.533 -6.521 1.00 0.50 O ATOM 1295 CB THR A 83 -2.663 9.425 -5.815 1.00 0.80 C ATOM 1296 OG1 THR A 83 -3.253 9.372 -4.545 1.00 1.90 O ATOM 1297 CG2 THR A 83 -2.950 10.776 -6.453 1.00 1.61 C ATOM 0 H THR A 83 -1.411 8.746 -7.832 1.00 0.56 H new ATOM 0 HA THR A 83 -2.991 7.346 -5.978 1.00 0.58 H new ATOM 0 HB THR A 83 -1.578 9.359 -5.739 1.00 0.80 H new ATOM 0 HG1 THR A 83 -3.942 10.066 -4.475 1.00 1.90 H new ATOM 0 HG21 THR A 83 -2.639 11.572 -5.776 1.00 1.61 H new ATOM 0 HG22 THR A 83 -2.399 10.860 -7.390 1.00 1.61 H new ATOM 0 HG23 THR A 83 -4.018 10.865 -6.651 1.00 1.61 H new ATOM 1305 N LYS A 84 -4.797 8.742 -8.339 1.00 0.63 N ATOM 1306 CA LYS A 84 -6.097 8.637 -9.024 1.00 0.71 C ATOM 1307 C LYS A 84 -6.590 7.190 -9.160 1.00 0.62 C ATOM 1308 O LYS A 84 -7.676 6.874 -8.670 1.00 0.63 O ATOM 1309 CB LYS A 84 -6.019 9.347 -10.388 1.00 0.90 C ATOM 1310 CG LYS A 84 -7.341 9.314 -11.170 1.00 1.77 C ATOM 1311 CD LYS A 84 -7.198 10.052 -12.511 1.00 1.94 C ATOM 1312 CE LYS A 84 -8.512 10.073 -13.303 1.00 2.87 C ATOM 1313 NZ LYS A 84 -9.557 10.877 -12.624 1.00 2.67 N ATOM 0 H LYS A 84 -4.117 9.295 -8.861 1.00 0.63 H new ATOM 0 HA LYS A 84 -6.842 9.136 -8.404 1.00 0.71 H new ATOM 0 HB2 LYS A 84 -5.723 10.385 -10.233 1.00 0.90 H new ATOM 0 HB3 LYS A 84 -5.239 8.880 -10.988 1.00 0.90 H new ATOM 0 HG2 LYS A 84 -7.638 8.281 -11.348 1.00 1.77 H new ATOM 0 HG3 LYS A 84 -8.131 9.775 -10.578 1.00 1.77 H new ATOM 0 HD2 LYS A 84 -6.870 11.075 -12.328 1.00 1.94 H new ATOM 0 HD3 LYS A 84 -6.423 9.571 -13.108 1.00 1.94 H new ATOM 0 HE2 LYS A 84 -8.330 10.481 -14.297 1.00 2.87 H new ATOM 0 HE3 LYS A 84 -8.870 9.052 -13.438 1.00 2.87 H new ATOM 0 HZ1 LYS A 84 -10.380 10.978 -13.252 1.00 2.67 H new ATOM 0 HZ2 LYS A 84 -9.847 10.399 -11.747 1.00 2.67 H new ATOM 0 HZ3 LYS A 84 -9.178 11.818 -12.396 1.00 2.67 H new ATOM 1327 N MET A 85 -5.838 6.321 -9.852 1.00 0.59 N ATOM 1328 CA MET A 85 -6.260 4.927 -10.041 1.00 0.54 C ATOM 1329 C MET A 85 -6.185 4.137 -8.729 1.00 0.50 C ATOM 1330 O MET A 85 -7.097 3.370 -8.436 1.00 0.53 O ATOM 1331 CB MET A 85 -5.443 4.239 -11.147 1.00 0.62 C ATOM 1332 CG MET A 85 -6.054 2.864 -11.464 1.00 1.82 C ATOM 1333 SD MET A 85 -5.218 1.919 -12.759 1.00 2.55 S ATOM 1334 CE MET A 85 -6.180 0.387 -12.647 1.00 4.21 C ATOM 0 H MET A 85 -4.945 6.556 -10.285 1.00 0.59 H new ATOM 0 HA MET A 85 -7.302 4.943 -10.359 1.00 0.54 H new ATOM 0 HB2 MET A 85 -5.433 4.859 -12.044 1.00 0.62 H new ATOM 0 HB3 MET A 85 -4.407 4.123 -10.828 1.00 0.62 H new ATOM 0 HG2 MET A 85 -6.059 2.269 -10.551 1.00 1.82 H new ATOM 0 HG3 MET A 85 -7.094 3.007 -11.757 1.00 1.82 H new ATOM 0 HE1 MET A 85 -5.809 -0.330 -13.379 1.00 4.21 H new ATOM 0 HE2 MET A 85 -6.081 -0.032 -11.646 1.00 4.21 H new ATOM 0 HE3 MET A 85 -7.230 0.601 -12.849 1.00 4.21 H new ATOM 1344 N LEU A 86 -5.130 4.340 -7.935 1.00 0.51 N ATOM 1345 CA LEU A 86 -4.919 3.731 -6.623 1.00 0.51 C ATOM 1346 C LEU A 86 -6.094 3.992 -5.670 1.00 0.50 C ATOM 1347 O LEU A 86 -6.549 3.053 -5.022 1.00 0.56 O ATOM 1348 CB LEU A 86 -3.549 4.211 -6.101 1.00 0.57 C ATOM 1349 CG LEU A 86 -3.272 4.162 -4.592 1.00 0.82 C ATOM 1350 CD1 LEU A 86 -3.548 2.844 -3.866 1.00 1.71 C ATOM 1351 CD2 LEU A 86 -1.822 4.584 -4.340 1.00 1.96 C ATOM 0 H LEU A 86 -4.367 4.961 -8.203 1.00 0.51 H new ATOM 0 HA LEU A 86 -4.893 2.644 -6.698 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -2.781 3.617 -6.597 1.00 0.57 H new ATOM 0 HB3 LEU A 86 -3.415 5.242 -6.427 1.00 0.57 H new ATOM 0 HG LEU A 86 -4.001 4.851 -4.164 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -3.308 2.954 -2.808 1.00 1.71 H new ATOM 0 HD12 LEU A 86 -4.601 2.583 -3.974 1.00 1.71 H new ATOM 0 HD13 LEU A 86 -2.932 2.055 -4.298 1.00 1.71 H new ATOM 0 HD21 LEU A 86 -1.615 4.553 -3.270 1.00 1.96 H new ATOM 0 HD22 LEU A 86 -1.149 3.902 -4.860 1.00 1.96 H new ATOM 0 HD23 LEU A 86 -1.669 5.598 -4.710 1.00 1.96 H new ATOM 1363 N MET A 87 -6.638 5.214 -5.621 1.00 0.48 N ATOM 1364 CA MET A 87 -7.839 5.533 -4.844 1.00 0.53 C ATOM 1365 C MET A 87 -9.010 4.633 -5.255 1.00 0.53 C ATOM 1366 O MET A 87 -9.554 3.907 -4.423 1.00 0.60 O ATOM 1367 CB MET A 87 -8.176 7.026 -5.003 1.00 0.67 C ATOM 1368 CG MET A 87 -9.262 7.478 -4.019 1.00 1.02 C ATOM 1369 SD MET A 87 -10.078 9.034 -4.464 1.00 1.53 S ATOM 1370 CE MET A 87 -11.113 8.455 -5.837 1.00 2.36 C ATOM 0 H MET A 87 -6.253 6.014 -6.123 1.00 0.48 H new ATOM 0 HA MET A 87 -7.648 5.339 -3.789 1.00 0.53 H new ATOM 0 HB2 MET A 87 -7.275 7.620 -4.847 1.00 0.67 H new ATOM 0 HB3 MET A 87 -8.510 7.216 -6.023 1.00 0.67 H new ATOM 0 HG2 MET A 87 -10.016 6.695 -3.945 1.00 1.02 H new ATOM 0 HG3 MET A 87 -8.817 7.586 -3.030 1.00 1.02 H new ATOM 0 HE1 MET A 87 -11.851 9.218 -6.084 1.00 2.36 H new ATOM 0 HE2 MET A 87 -10.487 8.261 -6.708 1.00 2.36 H new ATOM 0 HE3 MET A 87 -11.624 7.537 -5.546 1.00 2.36 H new ATOM 1380 N ALA A 88 -9.371 4.663 -6.543 1.00 0.51 N ATOM 1381 CA ALA A 88 -10.494 3.910 -7.092 1.00 0.54 C ATOM 1382 C ALA A 88 -10.314 2.383 -6.984 1.00 0.53 C ATOM 1383 O ALA A 88 -11.250 1.687 -6.605 1.00 0.62 O ATOM 1384 CB ALA A 88 -10.696 4.348 -8.547 1.00 0.60 C ATOM 0 H ALA A 88 -8.880 5.222 -7.241 1.00 0.51 H new ATOM 0 HA ALA A 88 -11.382 4.132 -6.500 1.00 0.54 H new ATOM 0 HB1 ALA A 88 -11.532 3.798 -8.980 1.00 0.60 H new ATOM 0 HB2 ALA A 88 -10.909 5.416 -8.579 1.00 0.60 H new ATOM 0 HB3 ALA A 88 -9.791 4.141 -9.118 1.00 0.60 H new ATOM 1390 N ALA A 89 -9.133 1.854 -7.329 1.00 0.50 N ATOM 1391 CA ALA A 89 -8.869 0.415 -7.346 1.00 0.49 C ATOM 1392 C ALA A 89 -8.554 -0.159 -5.954 1.00 0.49 C ATOM 1393 O ALA A 89 -8.891 -1.310 -5.679 1.00 0.65 O ATOM 1394 CB ALA A 89 -7.722 0.138 -8.322 1.00 0.60 C ATOM 0 H ALA A 89 -8.330 2.419 -7.606 1.00 0.50 H new ATOM 0 HA ALA A 89 -9.778 -0.090 -7.674 1.00 0.49 H new ATOM 0 HB1 ALA A 89 -7.514 -0.932 -8.345 1.00 0.60 H new ATOM 0 HB2 ALA A 89 -8.004 0.474 -9.320 1.00 0.60 H new ATOM 0 HB3 ALA A 89 -6.830 0.674 -7.997 1.00 0.60 H new ATOM 1400 N GLY A 90 -7.932 0.629 -5.069 1.00 0.45 N ATOM 1401 CA GLY A 90 -7.645 0.236 -3.695 1.00 0.48 C ATOM 1402 C GLY A 90 -8.917 0.112 -2.858 1.00 0.43 C ATOM 1403 O GLY A 90 -9.094 -0.884 -2.156 1.00 0.52 O ATOM 0 H GLY A 90 -7.611 1.570 -5.296 1.00 0.45 H new ATOM 0 HA2 GLY A 90 -7.116 -0.717 -3.693 1.00 0.48 H new ATOM 0 HA3 GLY A 90 -6.981 0.970 -3.239 1.00 0.48 H new ATOM 1407 N ASP A 91 -9.822 1.097 -2.945 1.00 0.39 N ATOM 1408 CA ASP A 91 -11.174 1.002 -2.394 1.00 0.41 C ATOM 1409 C ASP A 91 -12.044 0.021 -3.218 1.00 0.47 C ATOM 1410 O ASP A 91 -13.054 0.364 -3.829 1.00 0.54 O ATOM 1411 CB ASP A 91 -11.799 2.388 -2.309 1.00 0.49 C ATOM 1412 CG ASP A 91 -13.241 2.260 -1.830 1.00 0.69 C ATOM 1413 OD1 ASP A 91 -13.502 1.646 -0.763 1.00 0.71 O ATOM 1414 OD2 ASP A 91 -14.118 2.776 -2.546 1.00 1.20 O ATOM 0 H ASP A 91 -9.631 1.988 -3.404 1.00 0.39 H new ATOM 0 HA ASP A 91 -11.117 0.597 -1.384 1.00 0.41 H new ATOM 0 HB2 ASP A 91 -11.230 3.015 -1.623 1.00 0.49 H new ATOM 0 HB3 ASP A 91 -11.769 2.874 -3.284 1.00 0.49 H new ATOM 1419 N LYS A 92 -11.689 -1.261 -3.185 1.00 0.61 N ATOM 1420 CA LYS A 92 -12.419 -2.341 -3.867 1.00 0.80 C ATOM 1421 C LYS A 92 -13.861 -2.572 -3.400 1.00 0.82 C ATOM 1422 O LYS A 92 -14.586 -3.384 -3.966 1.00 1.12 O ATOM 1423 CB LYS A 92 -11.605 -3.608 -3.689 1.00 1.04 C ATOM 1424 CG LYS A 92 -11.567 -4.169 -2.253 1.00 2.48 C ATOM 1425 CD LYS A 92 -12.122 -5.599 -2.151 1.00 3.67 C ATOM 1426 CE LYS A 92 -11.124 -6.620 -2.712 1.00 4.53 C ATOM 1427 NZ LYS A 92 -11.793 -7.771 -3.361 1.00 5.12 N ATOM 0 H LYS A 92 -10.870 -1.591 -2.675 1.00 0.61 H new ATOM 0 HA LYS A 92 -12.528 -2.044 -4.910 1.00 0.80 H new ATOM 0 HB2 LYS A 92 -12.007 -4.375 -4.351 1.00 1.04 H new ATOM 0 HB3 LYS A 92 -10.583 -3.412 -4.012 1.00 1.04 H new ATOM 0 HG2 LYS A 92 -10.539 -4.158 -1.892 1.00 2.48 H new ATOM 0 HG3 LYS A 92 -12.142 -3.515 -1.598 1.00 2.48 H new ATOM 0 HD2 LYS A 92 -12.341 -5.834 -1.109 1.00 3.67 H new ATOM 0 HD3 LYS A 92 -13.063 -5.667 -2.697 1.00 3.67 H new ATOM 0 HE2 LYS A 92 -10.473 -6.128 -3.435 1.00 4.53 H new ATOM 0 HE3 LYS A 92 -10.487 -6.982 -1.905 1.00 4.53 H new ATOM 0 HZ1 LYS A 92 -11.075 -8.431 -3.723 1.00 5.12 H new ATOM 0 HZ2 LYS A 92 -12.394 -8.260 -2.667 1.00 5.12 H new ATOM 0 HZ3 LYS A 92 -12.380 -7.432 -4.149 1.00 5.12 H new ATOM 1441 N ASP A 93 -14.217 -1.888 -2.322 1.00 0.64 N ATOM 1442 CA ASP A 93 -15.436 -1.987 -1.540 1.00 0.75 C ATOM 1443 C ASP A 93 -16.451 -0.894 -1.917 1.00 0.72 C ATOM 1444 O ASP A 93 -17.628 -1.015 -1.593 1.00 0.87 O ATOM 1445 CB ASP A 93 -14.986 -1.798 -0.084 1.00 0.92 C ATOM 1446 CG ASP A 93 -15.695 -2.654 0.958 1.00 0.90 C ATOM 1447 OD1 ASP A 93 -16.242 -3.720 0.607 1.00 1.29 O ATOM 1448 OD2 ASP A 93 -15.552 -2.235 2.127 1.00 1.29 O ATOM 0 H ASP A 93 -13.594 -1.178 -1.936 1.00 0.64 H new ATOM 0 HA ASP A 93 -15.936 -2.940 -1.714 1.00 0.75 H new ATOM 0 HB2 ASP A 93 -13.917 -2.004 -0.027 1.00 0.92 H new ATOM 0 HB3 ASP A 93 -15.123 -0.750 0.183 1.00 0.92 H new ATOM 1453 N GLY A 94 -15.995 0.179 -2.584 1.00 0.69 N ATOM 1454 CA GLY A 94 -16.829 1.319 -2.954 1.00 0.78 C ATOM 1455 C GLY A 94 -17.108 2.322 -1.822 1.00 0.84 C ATOM 1456 O GLY A 94 -18.108 3.031 -1.909 1.00 1.09 O ATOM 0 H GLY A 94 -15.024 0.274 -2.882 1.00 0.69 H new ATOM 0 HA2 GLY A 94 -16.348 1.849 -3.776 1.00 0.78 H new ATOM 0 HA3 GLY A 94 -17.782 0.945 -3.329 1.00 0.78 H new ATOM 1460 N ASP A 95 -16.265 2.408 -0.775 1.00 0.70 N ATOM 1461 CA ASP A 95 -16.428 3.483 0.251 1.00 0.77 C ATOM 1462 C ASP A 95 -15.775 4.835 -0.103 1.00 0.80 C ATOM 1463 O ASP A 95 -16.150 5.881 0.426 1.00 1.11 O ATOM 1464 CB ASP A 95 -15.762 3.121 1.583 1.00 0.76 C ATOM 1465 CG ASP A 95 -16.397 1.967 2.329 1.00 1.12 C ATOM 1466 OD1 ASP A 95 -17.584 2.055 2.688 1.00 1.97 O ATOM 1467 OD2 ASP A 95 -15.598 1.037 2.597 1.00 1.15 O ATOM 0 H ASP A 95 -15.484 1.773 -0.610 1.00 0.70 H new ATOM 0 HA ASP A 95 -17.513 3.571 0.303 1.00 0.77 H new ATOM 0 HB2 ASP A 95 -14.716 2.879 1.394 1.00 0.76 H new ATOM 0 HB3 ASP A 95 -15.774 4.000 2.228 1.00 0.76 H new ATOM 1472 N GLY A 96 -14.700 4.777 -0.885 1.00 0.64 N ATOM 1473 CA GLY A 96 -13.711 5.807 -1.184 1.00 0.68 C ATOM 1474 C GLY A 96 -12.468 5.844 -0.281 1.00 0.58 C ATOM 1475 O GLY A 96 -11.671 6.769 -0.410 1.00 0.83 O ATOM 0 H GLY A 96 -14.477 3.912 -1.378 1.00 0.64 H new ATOM 0 HA2 GLY A 96 -13.381 5.675 -2.214 1.00 0.68 H new ATOM 0 HA3 GLY A 96 -14.202 6.778 -1.129 1.00 0.68 H new ATOM 1479 N LYS A 97 -12.267 4.852 0.603 1.00 0.36 N ATOM 1480 CA LYS A 97 -11.023 4.618 1.356 1.00 0.31 C ATOM 1481 C LYS A 97 -10.651 3.135 1.359 1.00 0.37 C ATOM 1482 O LYS A 97 -11.522 2.266 1.489 1.00 0.45 O ATOM 1483 CB LYS A 97 -11.164 5.070 2.812 1.00 0.35 C ATOM 1484 CG LYS A 97 -11.255 6.594 2.983 1.00 0.47 C ATOM 1485 CD LYS A 97 -12.681 7.124 3.152 1.00 0.90 C ATOM 1486 CE LYS A 97 -13.297 6.660 4.481 1.00 1.85 C ATOM 1487 NZ LYS A 97 -14.731 7.015 4.571 1.00 2.61 N ATOM 0 H LYS A 97 -12.991 4.167 0.820 1.00 0.36 H new ATOM 0 HA LYS A 97 -10.244 5.197 0.860 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -12.056 4.612 3.240 1.00 0.35 H new ATOM 0 HB3 LYS A 97 -10.311 4.700 3.381 1.00 0.35 H new ATOM 0 HG2 LYS A 97 -10.666 6.886 3.852 1.00 0.47 H new ATOM 0 HG3 LYS A 97 -10.802 7.073 2.115 1.00 0.47 H new ATOM 0 HD2 LYS A 97 -12.673 8.213 3.113 1.00 0.90 H new ATOM 0 HD3 LYS A 97 -13.299 6.780 2.323 1.00 0.90 H new ATOM 0 HE2 LYS A 97 -13.182 5.580 4.578 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.756 7.114 5.311 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -15.114 6.687 5.481 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 -14.838 8.047 4.503 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 -15.251 6.561 3.793 1.00 2.61 H new ATOM 1501 N ILE A 98 -9.344 2.867 1.320 1.00 0.38 N ATOM 1502 CA ILE A 98 -8.765 1.531 1.513 1.00 0.41 C ATOM 1503 C ILE A 98 -8.950 1.145 2.977 1.00 0.38 C ATOM 1504 O ILE A 98 -8.544 1.897 3.868 1.00 0.35 O ATOM 1505 CB ILE A 98 -7.272 1.532 1.112 1.00 0.43 C ATOM 1506 CG1 ILE A 98 -7.170 1.654 -0.417 1.00 0.48 C ATOM 1507 CG2 ILE A 98 -6.438 0.312 1.567 1.00 0.43 C ATOM 1508 CD1 ILE A 98 -5.832 2.224 -0.871 1.00 0.48 C ATOM 0 H ILE A 98 -8.642 3.587 1.150 1.00 0.38 H new ATOM 0 HA ILE A 98 -9.266 0.799 0.879 1.00 0.41 H new ATOM 0 HB ILE A 98 -6.841 2.383 1.640 1.00 0.43 H new ATOM 0 HG12 ILE A 98 -7.314 0.671 -0.867 1.00 0.48 H new ATOM 0 HG13 ILE A 98 -7.975 2.292 -0.781 1.00 0.48 H new ATOM 0 HG21 ILE A 98 -5.409 0.427 1.227 1.00 0.43 H new ATOM 0 HG22 ILE A 98 -6.455 0.245 2.655 1.00 0.43 H new ATOM 0 HG23 ILE A 98 -6.861 -0.597 1.141 1.00 0.43 H new ATOM 0 HD11 ILE A 98 -5.814 2.288 -1.959 1.00 0.48 H new ATOM 0 HD12 ILE A 98 -5.697 3.219 -0.446 1.00 0.48 H new ATOM 0 HD13 ILE A 98 -5.026 1.573 -0.533 1.00 0.48 H new ATOM 1520 N GLY A 99 -9.541 -0.031 3.198 1.00 0.40 N ATOM 1521 CA GLY A 99 -9.444 -0.761 4.464 1.00 0.37 C ATOM 1522 C GLY A 99 -8.551 -2.001 4.339 1.00 0.35 C ATOM 1523 O GLY A 99 -8.370 -2.555 3.259 1.00 0.38 O ATOM 0 H GLY A 99 -10.106 -0.508 2.496 1.00 0.40 H new ATOM 0 HA2 GLY A 99 -9.044 -0.101 5.234 1.00 0.37 H new ATOM 0 HA3 GLY A 99 -10.440 -1.062 4.787 1.00 0.37 H new ATOM 1527 N VAL A 100 -8.006 -2.454 5.469 1.00 0.36 N ATOM 1528 CA VAL A 100 -7.109 -3.613 5.607 1.00 0.41 C ATOM 1529 C VAL A 100 -7.581 -4.892 4.896 1.00 0.40 C ATOM 1530 O VAL A 100 -6.859 -5.407 4.043 1.00 0.43 O ATOM 1531 CB VAL A 100 -6.779 -3.846 7.098 1.00 0.49 C ATOM 1532 CG1 VAL A 100 -7.990 -3.850 8.048 1.00 0.60 C ATOM 1533 CG2 VAL A 100 -5.986 -5.137 7.327 1.00 0.74 C ATOM 0 H VAL A 100 -8.186 -2.000 6.365 1.00 0.36 H new ATOM 0 HA VAL A 100 -6.193 -3.358 5.074 1.00 0.41 H new ATOM 0 HB VAL A 100 -6.173 -2.975 7.347 1.00 0.49 H new ATOM 0 HG11 VAL A 100 -7.651 -4.021 9.070 1.00 0.60 H new ATOM 0 HG12 VAL A 100 -8.500 -2.888 7.991 1.00 0.60 H new ATOM 0 HG13 VAL A 100 -8.678 -4.643 7.757 1.00 0.60 H new ATOM 0 HG21 VAL A 100 -5.780 -5.254 8.391 1.00 0.74 H new ATOM 0 HG22 VAL A 100 -6.568 -5.989 6.975 1.00 0.74 H new ATOM 0 HG23 VAL A 100 -5.045 -5.088 6.778 1.00 0.74 H new ATOM 1543 N ASP A 101 -8.749 -5.434 5.258 1.00 0.48 N ATOM 1544 CA ASP A 101 -9.256 -6.721 4.755 1.00 0.55 C ATOM 1545 C ASP A 101 -9.536 -6.684 3.241 1.00 0.51 C ATOM 1546 O ASP A 101 -9.219 -7.606 2.480 1.00 0.51 O ATOM 1547 CB ASP A 101 -10.534 -7.053 5.533 1.00 0.69 C ATOM 1548 CG ASP A 101 -11.059 -8.436 5.148 1.00 0.94 C ATOM 1549 OD1 ASP A 101 -10.487 -9.419 5.666 1.00 1.74 O ATOM 1550 OD2 ASP A 101 -12.002 -8.485 4.328 1.00 1.95 O ATOM 0 H ASP A 101 -9.382 -4.985 5.920 1.00 0.48 H new ATOM 0 HA ASP A 101 -8.499 -7.490 4.906 1.00 0.55 H new ATOM 0 HB2 ASP A 101 -10.332 -7.021 6.604 1.00 0.69 H new ATOM 0 HB3 ASP A 101 -11.295 -6.300 5.329 1.00 0.69 H new ATOM 1555 N GLU A 102 -10.063 -5.544 2.798 1.00 0.55 N ATOM 1556 CA GLU A 102 -10.231 -5.197 1.397 1.00 0.60 C ATOM 1557 C GLU A 102 -8.880 -5.247 0.691 1.00 0.55 C ATOM 1558 O GLU A 102 -8.745 -5.961 -0.295 1.00 0.62 O ATOM 1559 CB GLU A 102 -10.820 -3.792 1.291 1.00 0.77 C ATOM 1560 CG GLU A 102 -12.182 -3.634 1.966 1.00 0.92 C ATOM 1561 CD GLU A 102 -12.267 -2.229 2.548 1.00 1.12 C ATOM 1562 OE1 GLU A 102 -12.229 -1.246 1.763 1.00 0.78 O ATOM 1563 OE2 GLU A 102 -12.367 -2.073 3.778 1.00 2.42 O ATOM 0 H GLU A 102 -10.395 -4.815 3.430 1.00 0.55 H new ATOM 0 HA GLU A 102 -10.907 -5.909 0.923 1.00 0.60 H new ATOM 0 HB2 GLU A 102 -10.122 -3.082 1.735 1.00 0.77 H new ATOM 0 HB3 GLU A 102 -10.916 -3.528 0.238 1.00 0.77 H new ATOM 0 HG2 GLU A 102 -12.984 -3.796 1.246 1.00 0.92 H new ATOM 0 HG3 GLU A 102 -12.305 -4.379 2.752 1.00 0.92 H new ATOM 1570 N PHE A 103 -7.870 -4.535 1.200 1.00 0.56 N ATOM 1571 CA PHE A 103 -6.536 -4.492 0.605 1.00 0.65 C ATOM 1572 C PHE A 103 -5.857 -5.868 0.587 1.00 0.73 C ATOM 1573 O PHE A 103 -5.288 -6.242 -0.436 1.00 0.91 O ATOM 1574 CB PHE A 103 -5.689 -3.443 1.343 1.00 0.74 C ATOM 1575 CG PHE A 103 -4.813 -2.509 0.525 1.00 0.63 C ATOM 1576 CD1 PHE A 103 -5.088 -2.167 -0.819 1.00 2.20 C ATOM 1577 CD2 PHE A 103 -3.775 -1.847 1.200 1.00 1.42 C ATOM 1578 CE1 PHE A 103 -4.293 -1.217 -1.483 1.00 2.75 C ATOM 1579 CE2 PHE A 103 -2.994 -0.887 0.543 1.00 1.87 C ATOM 1580 CZ PHE A 103 -3.238 -0.581 -0.807 1.00 2.15 C ATOM 0 H PHE A 103 -7.959 -3.969 2.044 1.00 0.56 H new ATOM 0 HA PHE A 103 -6.632 -4.201 -0.441 1.00 0.65 H new ATOM 0 HB2 PHE A 103 -6.366 -2.828 1.935 1.00 0.74 H new ATOM 0 HB3 PHE A 103 -5.044 -3.972 2.044 1.00 0.74 H new ATOM 0 HD1 PHE A 103 -5.911 -2.637 -1.337 1.00 2.20 H new ATOM 0 HD2 PHE A 103 -3.577 -2.080 2.236 1.00 1.42 H new ATOM 0 HE1 PHE A 103 -4.494 -0.975 -2.516 1.00 2.75 H new ATOM 0 HE2 PHE A 103 -2.202 -0.381 1.075 1.00 1.87 H new ATOM 0 HZ PHE A 103 -2.618 0.139 -1.322 1.00 2.15 H new ATOM 1590 N SER A 104 -5.986 -6.642 1.675 1.00 0.67 N ATOM 1591 CA SER A 104 -5.523 -8.031 1.805 1.00 0.74 C ATOM 1592 C SER A 104 -6.014 -8.929 0.663 1.00 0.78 C ATOM 1593 O SER A 104 -5.284 -9.791 0.173 1.00 1.01 O ATOM 1594 CB SER A 104 -6.019 -8.597 3.145 1.00 0.77 C ATOM 1595 OG SER A 104 -5.366 -9.813 3.435 1.00 1.09 O ATOM 0 H SER A 104 -6.435 -6.302 2.525 1.00 0.67 H new ATOM 0 HA SER A 104 -4.434 -8.021 1.761 1.00 0.74 H new ATOM 0 HB2 SER A 104 -5.833 -7.878 3.942 1.00 0.77 H new ATOM 0 HB3 SER A 104 -7.097 -8.756 3.104 1.00 0.77 H new ATOM 0 HG SER A 104 -5.690 -10.162 4.292 1.00 1.09 H new ATOM 1601 N THR A 105 -7.252 -8.702 0.211 1.00 0.66 N ATOM 1602 CA THR A 105 -7.964 -9.548 -0.752 1.00 0.67 C ATOM 1603 C THR A 105 -8.011 -8.959 -2.162 1.00 0.62 C ATOM 1604 O THR A 105 -8.014 -9.698 -3.142 1.00 0.67 O ATOM 1605 CB THR A 105 -9.382 -9.824 -0.235 1.00 0.66 C ATOM 1606 OG1 THR A 105 -10.068 -8.628 0.081 1.00 0.58 O ATOM 1607 CG2 THR A 105 -9.328 -10.691 1.019 1.00 0.76 C ATOM 0 H THR A 105 -7.803 -7.899 0.515 1.00 0.66 H new ATOM 0 HA THR A 105 -7.405 -10.480 -0.837 1.00 0.67 H new ATOM 0 HB THR A 105 -9.917 -10.339 -1.033 1.00 0.66 H new ATOM 0 HG1 THR A 105 -9.759 -8.293 0.949 1.00 0.58 H new ATOM 0 HG21 THR A 105 -10.341 -10.879 1.375 1.00 0.76 H new ATOM 0 HG22 THR A 105 -8.844 -11.639 0.785 1.00 0.76 H new ATOM 0 HG23 THR A 105 -8.761 -10.175 1.794 1.00 0.76 H new ATOM 1615 N LEU A 106 -7.964 -7.632 -2.290 1.00 0.59 N ATOM 1616 CA LEU A 106 -7.831 -6.892 -3.550 1.00 0.65 C ATOM 1617 C LEU A 106 -6.587 -7.330 -4.323 1.00 0.64 C ATOM 1618 O LEU A 106 -6.619 -7.466 -5.542 1.00 0.78 O ATOM 1619 CB LEU A 106 -7.815 -5.386 -3.212 1.00 0.81 C ATOM 1620 CG LEU A 106 -7.839 -4.364 -4.362 1.00 0.94 C ATOM 1621 CD1 LEU A 106 -6.441 -4.013 -4.855 1.00 1.40 C ATOM 1622 CD2 LEU A 106 -8.708 -4.779 -5.554 1.00 2.57 C ATOM 0 H LEU A 106 -8.020 -7.013 -1.481 1.00 0.59 H new ATOM 0 HA LEU A 106 -8.674 -7.104 -4.207 1.00 0.65 H new ATOM 0 HB2 LEU A 106 -8.674 -5.183 -2.573 1.00 0.81 H new ATOM 0 HB3 LEU A 106 -6.923 -5.192 -2.617 1.00 0.81 H new ATOM 0 HG LEU A 106 -8.298 -3.481 -3.918 1.00 0.94 H new ATOM 0 HD11 LEU A 106 -6.513 -3.289 -5.666 1.00 1.40 H new ATOM 0 HD12 LEU A 106 -5.863 -3.585 -4.036 1.00 1.40 H new ATOM 0 HD13 LEU A 106 -5.946 -4.914 -5.216 1.00 1.40 H new ATOM 0 HD21 LEU A 106 -8.670 -4.004 -6.319 1.00 2.57 H new ATOM 0 HD22 LEU A 106 -8.335 -5.716 -5.967 1.00 2.57 H new ATOM 0 HD23 LEU A 106 -9.738 -4.913 -5.224 1.00 2.57 H new ATOM 1634 N VAL A 107 -5.493 -7.605 -3.615 1.00 0.64 N ATOM 1635 CA VAL A 107 -4.250 -8.072 -4.234 1.00 0.71 C ATOM 1636 C VAL A 107 -4.244 -9.554 -4.601 1.00 0.69 C ATOM 1637 O VAL A 107 -3.425 -10.005 -5.404 1.00 0.72 O ATOM 1638 CB VAL A 107 -3.072 -7.767 -3.316 1.00 0.73 C ATOM 1639 CG1 VAL A 107 -3.008 -6.230 -3.164 1.00 0.75 C ATOM 1640 CG2 VAL A 107 -3.143 -8.519 -1.978 1.00 0.79 C ATOM 0 H VAL A 107 -5.441 -7.512 -2.601 1.00 0.64 H new ATOM 0 HA VAL A 107 -4.164 -7.530 -5.176 1.00 0.71 H new ATOM 0 HB VAL A 107 -2.143 -8.131 -3.754 1.00 0.73 H new ATOM 0 HG11 VAL A 107 -2.176 -5.963 -2.512 1.00 0.75 H new ATOM 0 HG12 VAL A 107 -2.863 -5.773 -4.143 1.00 0.75 H new ATOM 0 HG13 VAL A 107 -3.940 -5.868 -2.729 1.00 0.75 H new ATOM 0 HG21 VAL A 107 -2.277 -8.260 -1.369 1.00 0.79 H new ATOM 0 HG22 VAL A 107 -4.055 -8.238 -1.451 1.00 0.79 H new ATOM 0 HG23 VAL A 107 -3.148 -9.593 -2.164 1.00 0.79 H new ATOM 1650 N ALA A 108 -5.162 -10.319 -4.017 1.00 0.69 N ATOM 1651 CA ALA A 108 -5.329 -11.732 -4.303 1.00 0.75 C ATOM 1652 C ALA A 108 -5.923 -11.972 -5.695 1.00 0.87 C ATOM 1653 O ALA A 108 -5.607 -12.992 -6.302 1.00 1.24 O ATOM 1654 CB ALA A 108 -6.113 -12.353 -3.159 1.00 0.66 C ATOM 0 H ALA A 108 -5.819 -9.965 -3.322 1.00 0.69 H new ATOM 0 HA ALA A 108 -4.362 -12.233 -4.354 1.00 0.75 H new ATOM 0 HB1 ALA A 108 -6.253 -13.417 -3.349 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -5.564 -12.220 -2.227 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -7.086 -11.868 -3.079 1.00 0.66 H new ATOM 1660 N GLU A 109 -6.616 -10.968 -6.249 1.00 0.98 N ATOM 1661 CA GLU A 109 -6.965 -10.862 -7.671 1.00 1.43 C ATOM 1662 C GLU A 109 -5.734 -10.841 -8.601 1.00 1.91 C ATOM 1663 O GLU A 109 -5.887 -11.110 -9.790 1.00 2.24 O ATOM 1664 CB GLU A 109 -7.751 -9.558 -7.913 1.00 1.85 C ATOM 1665 CG GLU A 109 -9.079 -9.429 -7.152 1.00 1.65 C ATOM 1666 CD GLU A 109 -10.173 -10.287 -7.793 1.00 2.24 C ATOM 1667 OE1 GLU A 109 -10.198 -11.500 -7.489 1.00 3.14 O ATOM 1668 OE2 GLU A 109 -10.967 -9.715 -8.571 1.00 2.76 O ATOM 0 H GLU A 109 -6.961 -10.180 -5.700 1.00 0.98 H new ATOM 0 HA GLU A 109 -7.556 -11.747 -7.906 1.00 1.43 H new ATOM 0 HB2 GLU A 109 -7.114 -8.716 -7.641 1.00 1.85 H new ATOM 0 HB3 GLU A 109 -7.955 -9.471 -8.980 1.00 1.85 H new ATOM 0 HG2 GLU A 109 -8.937 -9.732 -6.115 1.00 1.65 H new ATOM 0 HG3 GLU A 109 -9.393 -8.385 -7.139 1.00 1.65 H new ATOM 1675 N SER A 110 -4.531 -10.498 -8.092 1.00 1.98 N ATOM 1676 CA SER A 110 -3.252 -10.449 -8.821 1.00 2.41 C ATOM 1677 C SER A 110 -3.348 -10.158 -10.323 1.00 3.07 C ATOM 1678 O SER A 110 -2.470 -9.479 -10.866 1.00 3.52 O ATOM 1679 CB SER A 110 -2.449 -11.727 -8.595 1.00 2.57 C ATOM 1680 OG SER A 110 -3.014 -12.825 -9.271 1.00 2.97 O ATOM 0 H SER A 110 -4.424 -10.235 -7.112 1.00 1.98 H new ATOM 0 HA SER A 110 -2.739 -9.587 -8.394 1.00 2.41 H new ATOM 0 HB2 SER A 110 -1.425 -11.578 -8.936 1.00 2.57 H new ATOM 0 HB3 SER A 110 -2.401 -11.943 -7.528 1.00 2.57 H new ATOM 0 HG SER A 110 -2.473 -13.625 -9.105 1.00 2.97 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.769 0.210 1.916 1.00 0.46 CA HETATM 1688 CA CA A 112 -5.983 7.401 7.544 1.00 0.82 CA