USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 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 49 HIS : no HD1:sc= 0.953 K(o=3.2,f=-3.1) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 155:sc= 2.22 (180deg=1.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -123:sc= -0.0547 (180deg=-0.412) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.05 K(o=1,f=-0.98) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 60:sc= 0.547 USER MOD Single : A 22 THR OG1 : rot 41:sc= 0.0173 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-2.2!) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.755 (180deg=0.362) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 1.2 (180deg=1.04) USER MOD Single : A 32 GLN : amide:sc= -0.0385 X(o=-0.039,f=-0.013) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.35!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= 0.997 (180deg=-0.252) USER MOD Single : A 46 LYS NZ :NH3+ -117:sc= 1.41 (180deg=0.298) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -89:sc= 0.00445 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 59:sc= -0.285 USER MOD Single : A 79 SER OG : rot 180:sc= 0.104 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -125:sc= 0 (180deg=-0.109) USER MOD Single : A 92 LYS NZ :NH3+ -151:sc= 1.23 (180deg=-0.528) 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 -99:sc= 1.28 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.159 -1.621 16.085 1.00 4.19 N ATOM 2 CA MET A 1 5.704 -2.882 15.451 1.00 3.08 C ATOM 3 C MET A 1 6.652 -3.362 14.353 1.00 2.27 C ATOM 4 O MET A 1 6.953 -4.544 14.343 1.00 3.26 O ATOM 5 CB MET A 1 4.234 -2.828 15.002 1.00 2.71 C ATOM 6 CG MET A 1 3.966 -1.946 13.777 1.00 2.83 C ATOM 7 SD MET A 1 2.214 -1.557 13.546 1.00 4.58 S ATOM 8 CE MET A 1 2.328 -0.498 12.082 1.00 6.55 C ATOM 0 H1 MET A 1 5.482 -1.339 16.822 1.00 4.19 H new ATOM 0 H2 MET A 1 7.096 -1.766 16.513 1.00 4.19 H new ATOM 0 H3 MET A 1 6.219 -0.873 15.365 1.00 4.19 H new ATOM 0 HA MET A 1 5.742 -3.644 16.229 1.00 3.08 H new ATOM 0 HB2 MET A 1 3.899 -3.842 14.782 1.00 2.71 H new ATOM 0 HB3 MET A 1 3.629 -2.465 15.833 1.00 2.71 H new ATOM 0 HG2 MET A 1 4.527 -1.017 13.877 1.00 2.83 H new ATOM 0 HG3 MET A 1 4.340 -2.450 12.886 1.00 2.83 H new ATOM 0 HE1 MET A 1 1.331 -0.164 11.796 1.00 6.55 H new ATOM 0 HE2 MET A 1 2.951 0.368 12.307 1.00 6.55 H new ATOM 0 HE3 MET A 1 2.771 -1.060 11.260 1.00 6.55 H new ATOM 20 N SER A 2 7.165 -2.459 13.500 1.00 1.53 N ATOM 21 CA SER A 2 8.322 -2.687 12.619 1.00 1.57 C ATOM 22 C SER A 2 8.024 -3.613 11.431 1.00 1.23 C ATOM 23 O SER A 2 8.259 -4.819 11.478 1.00 1.17 O ATOM 24 CB SER A 2 9.559 -3.133 13.418 1.00 2.72 C ATOM 25 OG SER A 2 9.809 -2.203 14.459 1.00 3.57 O ATOM 0 H SER A 2 6.774 -1.522 13.402 1.00 1.53 H new ATOM 0 HA SER A 2 8.552 -1.721 12.169 1.00 1.57 H new ATOM 0 HB2 SER A 2 9.397 -4.127 13.835 1.00 2.72 H new ATOM 0 HB3 SER A 2 10.425 -3.200 12.760 1.00 2.72 H new ATOM 0 HG SER A 2 10.596 -2.487 14.970 1.00 3.57 H new ATOM 31 N MET A 3 7.566 -3.011 10.326 1.00 1.20 N ATOM 32 CA MET A 3 7.234 -3.670 9.049 1.00 1.24 C ATOM 33 C MET A 3 8.320 -4.635 8.580 1.00 1.45 C ATOM 34 O MET A 3 8.021 -5.737 8.150 1.00 3.03 O ATOM 35 CB MET A 3 7.027 -2.617 7.949 1.00 1.11 C ATOM 36 CG MET A 3 5.926 -1.617 8.289 1.00 2.12 C ATOM 37 SD MET A 3 4.246 -2.294 8.248 1.00 2.53 S ATOM 38 CE MET A 3 3.907 -2.095 6.479 1.00 2.87 C ATOM 0 H MET A 3 7.408 -2.004 10.293 1.00 1.20 H new ATOM 0 HA MET A 3 6.322 -4.239 9.228 1.00 1.24 H new ATOM 0 HB2 MET A 3 7.961 -2.080 7.785 1.00 1.11 H new ATOM 0 HB3 MET A 3 6.780 -3.119 7.014 1.00 1.11 H new ATOM 0 HG2 MET A 3 6.116 -1.213 9.283 1.00 2.12 H new ATOM 0 HG3 MET A 3 5.984 -0.783 7.590 1.00 2.12 H new ATOM 0 HE1 MET A 3 3.010 -1.490 6.346 1.00 2.87 H new ATOM 0 HE2 MET A 3 4.752 -1.600 6.000 1.00 2.87 H new ATOM 0 HE3 MET A 3 3.755 -3.074 6.025 1.00 2.87 H new ATOM 48 N THR A 4 9.579 -4.223 8.709 1.00 0.73 N ATOM 49 CA THR A 4 10.792 -5.001 8.448 1.00 0.46 C ATOM 50 C THR A 4 10.838 -6.364 9.156 1.00 0.48 C ATOM 51 O THR A 4 11.399 -7.299 8.592 1.00 0.62 O ATOM 52 CB THR A 4 11.968 -4.101 8.860 1.00 0.55 C ATOM 53 OG1 THR A 4 12.251 -3.231 7.789 1.00 0.79 O ATOM 54 CG2 THR A 4 13.255 -4.809 9.259 1.00 0.73 C ATOM 0 H THR A 4 9.795 -3.275 9.019 1.00 0.73 H new ATOM 0 HA THR A 4 10.831 -5.268 7.392 1.00 0.46 H new ATOM 0 HB THR A 4 11.636 -3.590 9.764 1.00 0.55 H new ATOM 0 HG1 THR A 4 12.999 -2.646 8.032 1.00 0.79 H new ATOM 0 HG21 THR A 4 14.009 -4.069 9.528 1.00 0.73 H new ATOM 0 HG22 THR A 4 13.063 -5.459 10.113 1.00 0.73 H new ATOM 0 HG23 THR A 4 13.616 -5.407 8.422 1.00 0.73 H new ATOM 62 N ASP A 5 10.268 -6.473 10.363 1.00 0.50 N ATOM 63 CA ASP A 5 10.292 -7.674 11.210 1.00 0.57 C ATOM 64 C ASP A 5 8.990 -8.487 11.092 1.00 0.62 C ATOM 65 O ASP A 5 9.021 -9.713 11.105 1.00 0.83 O ATOM 66 CB ASP A 5 10.530 -7.218 12.659 1.00 0.67 C ATOM 67 CG ASP A 5 10.955 -8.363 13.579 1.00 1.04 C ATOM 68 OD1 ASP A 5 12.059 -8.899 13.337 1.00 2.33 O ATOM 69 OD2 ASP A 5 10.202 -8.643 14.537 1.00 2.04 O ATOM 0 H ASP A 5 9.759 -5.700 10.792 1.00 0.50 H new ATOM 0 HA ASP A 5 11.093 -8.337 10.882 1.00 0.57 H new ATOM 0 HB2 ASP A 5 11.298 -6.445 12.670 1.00 0.67 H new ATOM 0 HB3 ASP A 5 9.617 -6.766 13.047 1.00 0.67 H new ATOM 74 N LEU A 6 7.854 -7.796 10.919 1.00 0.60 N ATOM 75 CA LEU A 6 6.551 -8.381 10.577 1.00 0.67 C ATOM 76 C LEU A 6 6.564 -9.042 9.188 1.00 0.61 C ATOM 77 O LEU A 6 6.106 -10.170 9.007 1.00 0.74 O ATOM 78 CB LEU A 6 5.500 -7.256 10.608 1.00 0.78 C ATOM 79 CG LEU A 6 5.212 -6.660 11.997 1.00 1.04 C ATOM 80 CD1 LEU A 6 4.207 -5.518 11.829 1.00 2.20 C ATOM 81 CD2 LEU A 6 4.631 -7.681 12.981 1.00 1.61 C ATOM 0 H LEU A 6 7.817 -6.781 11.017 1.00 0.60 H new ATOM 0 HA LEU A 6 6.314 -9.160 11.301 1.00 0.67 H new ATOM 0 HB2 LEU A 6 5.832 -6.454 9.949 1.00 0.78 H new ATOM 0 HB3 LEU A 6 4.567 -7.642 10.196 1.00 0.78 H new ATOM 0 HG LEU A 6 6.160 -6.316 12.411 1.00 1.04 H new ATOM 0 HD11 LEU A 6 3.988 -5.080 12.803 1.00 2.20 H new ATOM 0 HD12 LEU A 6 4.629 -4.755 11.175 1.00 2.20 H new ATOM 0 HD13 LEU A 6 3.287 -5.904 11.390 1.00 2.20 H new ATOM 0 HD21 LEU A 6 4.450 -7.199 13.942 1.00 1.61 H new ATOM 0 HD22 LEU A 6 3.692 -8.071 12.588 1.00 1.61 H new ATOM 0 HD23 LEU A 6 5.337 -8.501 13.114 1.00 1.61 H new ATOM 93 N LEU A 7 7.099 -8.314 8.205 1.00 0.57 N ATOM 94 CA LEU A 7 7.238 -8.715 6.816 1.00 0.54 C ATOM 95 C LEU A 7 8.681 -9.173 6.585 1.00 0.71 C ATOM 96 O LEU A 7 9.049 -10.243 7.053 1.00 1.51 O ATOM 97 CB LEU A 7 6.756 -7.571 5.887 1.00 0.61 C ATOM 98 CG LEU A 7 5.351 -7.013 6.193 1.00 1.00 C ATOM 99 CD1 LEU A 7 5.081 -5.764 5.352 1.00 2.27 C ATOM 100 CD2 LEU A 7 4.294 -8.061 5.881 1.00 1.39 C ATOM 0 H LEU A 7 7.465 -7.377 8.374 1.00 0.57 H new ATOM 0 HA LEU A 7 6.601 -9.565 6.571 1.00 0.54 H new ATOM 0 HB2 LEU A 7 7.473 -6.752 5.946 1.00 0.61 H new ATOM 0 HB3 LEU A 7 6.768 -7.932 4.859 1.00 0.61 H new ATOM 0 HG LEU A 7 5.307 -6.753 7.251 1.00 1.00 H new ATOM 0 HD11 LEU A 7 4.086 -5.381 5.578 1.00 2.27 H new ATOM 0 HD12 LEU A 7 5.825 -5.002 5.584 1.00 2.27 H new ATOM 0 HD13 LEU A 7 5.140 -6.018 4.294 1.00 2.27 H new ATOM 0 HD21 LEU A 7 3.306 -7.657 6.100 1.00 1.39 H new ATOM 0 HD22 LEU A 7 4.350 -8.331 4.827 1.00 1.39 H new ATOM 0 HD23 LEU A 7 4.468 -8.947 6.492 1.00 1.39 H new ATOM 112 N ASN A 8 9.468 -8.393 5.843 1.00 0.58 N ATOM 113 CA ASN A 8 10.851 -8.664 5.468 1.00 0.56 C ATOM 114 C ASN A 8 11.403 -7.412 4.777 1.00 0.54 C ATOM 115 O ASN A 8 10.879 -7.042 3.728 1.00 0.56 O ATOM 116 CB ASN A 8 10.877 -9.857 4.484 1.00 0.60 C ATOM 117 CG ASN A 8 11.181 -11.184 5.150 1.00 0.77 C ATOM 118 OD1 ASN A 8 10.387 -12.116 5.156 1.00 1.81 O ATOM 119 ND2 ASN A 8 12.374 -11.288 5.694 1.00 2.40 N ATOM 0 H ASN A 8 9.135 -7.505 5.467 1.00 0.58 H new ATOM 0 HA ASN A 8 11.454 -8.908 6.343 1.00 0.56 H new ATOM 0 HB2 ASN A 8 9.912 -9.924 3.982 1.00 0.60 H new ATOM 0 HB3 ASN A 8 11.625 -9.666 3.714 1.00 0.60 H new ATOM 0 HD21 ASN A 8 12.659 -12.162 6.136 1.00 2.40 H new ATOM 0 HD22 ASN A 8 13.015 -10.495 5.674 1.00 2.40 H new ATOM 126 N ALA A 9 12.447 -6.767 5.313 1.00 0.54 N ATOM 127 CA ALA A 9 13.140 -5.660 4.630 1.00 0.52 C ATOM 128 C ALA A 9 13.586 -6.022 3.200 1.00 0.41 C ATOM 129 O ALA A 9 13.563 -5.187 2.294 1.00 0.39 O ATOM 130 CB ALA A 9 14.351 -5.241 5.470 1.00 0.60 C ATOM 0 H ALA A 9 12.836 -6.994 6.228 1.00 0.54 H new ATOM 0 HA ALA A 9 12.434 -4.835 4.533 1.00 0.52 H new ATOM 0 HB1 ALA A 9 14.872 -4.422 4.974 1.00 0.60 H new ATOM 0 HB2 ALA A 9 14.016 -4.915 6.454 1.00 0.60 H new ATOM 0 HB3 ALA A 9 15.028 -6.088 5.580 1.00 0.60 H new ATOM 136 N GLU A 10 13.952 -7.291 3.009 1.00 0.39 N ATOM 137 CA GLU A 10 14.386 -7.919 1.767 1.00 0.34 C ATOM 138 C GLU A 10 13.267 -7.846 0.719 1.00 0.32 C ATOM 139 O GLU A 10 13.447 -7.298 -0.370 1.00 0.46 O ATOM 140 CB GLU A 10 14.776 -9.388 2.053 1.00 0.59 C ATOM 141 CG GLU A 10 15.828 -9.598 3.165 1.00 1.58 C ATOM 142 CD GLU A 10 15.346 -9.279 4.596 1.00 3.37 C ATOM 143 OE1 GLU A 10 14.117 -9.368 4.855 1.00 4.70 O ATOM 144 OE2 GLU A 10 16.198 -8.868 5.410 1.00 4.21 O ATOM 0 H GLU A 10 13.951 -7.956 3.783 1.00 0.39 H new ATOM 0 HA GLU A 10 15.253 -7.391 1.371 1.00 0.34 H new ATOM 0 HB2 GLU A 10 13.874 -9.938 2.323 1.00 0.59 H new ATOM 0 HB3 GLU A 10 15.155 -9.830 1.132 1.00 0.59 H new ATOM 0 HG2 GLU A 10 16.163 -10.635 3.135 1.00 1.58 H new ATOM 0 HG3 GLU A 10 16.695 -8.976 2.944 1.00 1.58 H new ATOM 151 N ASP A 11 12.090 -8.351 1.092 1.00 0.27 N ATOM 152 CA ASP A 11 10.863 -8.321 0.304 1.00 0.28 C ATOM 153 C ASP A 11 10.413 -6.858 0.094 1.00 0.24 C ATOM 154 O ASP A 11 10.061 -6.461 -1.019 1.00 0.26 O ATOM 155 CB ASP A 11 9.751 -9.143 0.997 1.00 0.41 C ATOM 156 CG ASP A 11 10.020 -10.608 1.381 1.00 0.79 C ATOM 157 OD1 ASP A 11 11.155 -11.092 1.189 1.00 1.65 O ATOM 158 OD2 ASP A 11 9.061 -11.231 1.907 1.00 2.13 O ATOM 0 H ASP A 11 11.964 -8.812 1.993 1.00 0.27 H new ATOM 0 HA ASP A 11 11.056 -8.772 -0.669 1.00 0.28 H new ATOM 0 HB2 ASP A 11 9.472 -8.613 1.907 1.00 0.41 H new ATOM 0 HB3 ASP A 11 8.880 -9.132 0.342 1.00 0.41 H new ATOM 163 N ILE A 12 10.476 -6.028 1.148 1.00 0.24 N ATOM 164 CA ILE A 12 10.155 -4.594 1.132 1.00 0.25 C ATOM 165 C ILE A 12 10.980 -3.810 0.113 1.00 0.28 C ATOM 166 O ILE A 12 10.423 -2.923 -0.529 1.00 0.34 O ATOM 167 CB ILE A 12 10.204 -3.986 2.558 1.00 0.30 C ATOM 168 CG1 ILE A 12 8.785 -3.839 3.144 1.00 0.41 C ATOM 169 CG2 ILE A 12 10.861 -2.611 2.648 1.00 0.38 C ATOM 170 CD1 ILE A 12 8.320 -5.149 3.755 1.00 0.52 C ATOM 0 H ILE A 12 10.764 -6.352 2.071 1.00 0.24 H new ATOM 0 HA ILE A 12 9.125 -4.502 0.789 1.00 0.25 H new ATOM 0 HB ILE A 12 10.814 -4.693 3.120 1.00 0.30 H new ATOM 0 HG12 ILE A 12 8.778 -3.056 3.902 1.00 0.41 H new ATOM 0 HG13 ILE A 12 8.092 -3.531 2.361 1.00 0.41 H new ATOM 0 HG21 ILE A 12 10.848 -2.269 3.683 1.00 0.38 H new ATOM 0 HG22 ILE A 12 11.892 -2.677 2.300 1.00 0.38 H new ATOM 0 HG23 ILE A 12 10.313 -1.904 2.025 1.00 0.38 H new ATOM 0 HD11 ILE A 12 7.317 -5.024 4.163 1.00 0.52 H new ATOM 0 HD12 ILE A 12 8.306 -5.924 2.988 1.00 0.52 H new ATOM 0 HD13 ILE A 12 9.003 -5.441 4.553 1.00 0.52 H new ATOM 182 N LYS A 13 12.259 -4.133 -0.108 1.00 0.33 N ATOM 183 CA LYS A 13 13.020 -3.499 -1.193 1.00 0.50 C ATOM 184 C LYS A 13 12.355 -3.706 -2.557 1.00 0.55 C ATOM 185 O LYS A 13 12.178 -2.748 -3.311 1.00 0.70 O ATOM 186 CB LYS A 13 14.464 -4.007 -1.216 1.00 0.69 C ATOM 187 CG LYS A 13 15.355 -3.200 -0.267 1.00 2.07 C ATOM 188 CD LYS A 13 16.822 -3.355 -0.680 1.00 2.16 C ATOM 189 CE LYS A 13 17.674 -2.251 -0.044 1.00 4.04 C ATOM 190 NZ LYS A 13 19.052 -2.249 -0.590 1.00 4.55 N ATOM 0 H LYS A 13 12.783 -4.817 0.438 1.00 0.33 H new ATOM 0 HA LYS A 13 13.031 -2.427 -0.994 1.00 0.50 H new ATOM 0 HB2 LYS A 13 14.486 -5.059 -0.932 1.00 0.69 H new ATOM 0 HB3 LYS A 13 14.858 -3.943 -2.230 1.00 0.69 H new ATOM 0 HG2 LYS A 13 15.070 -2.148 -0.291 1.00 2.07 H new ATOM 0 HG3 LYS A 13 15.217 -3.545 0.758 1.00 2.07 H new ATOM 0 HD2 LYS A 13 17.192 -4.333 -0.371 1.00 2.16 H new ATOM 0 HD3 LYS A 13 16.908 -3.310 -1.766 1.00 2.16 H new ATOM 0 HE2 LYS A 13 17.209 -1.282 -0.223 1.00 4.04 H new ATOM 0 HE3 LYS A 13 17.709 -2.393 1.036 1.00 4.04 H new ATOM 0 HZ1 LYS A 13 19.603 -1.491 -0.139 1.00 4.55 H new ATOM 0 HZ2 LYS A 13 19.503 -3.166 -0.397 1.00 4.55 H new ATOM 0 HZ3 LYS A 13 19.018 -2.089 -1.617 1.00 4.55 H new ATOM 204 N LYS A 14 11.964 -4.947 -2.864 1.00 0.49 N ATOM 205 CA LYS A 14 11.244 -5.284 -4.099 1.00 0.58 C ATOM 206 C LYS A 14 9.837 -4.684 -4.118 1.00 0.61 C ATOM 207 O LYS A 14 9.371 -4.290 -5.180 1.00 0.77 O ATOM 208 CB LYS A 14 11.225 -6.808 -4.312 1.00 0.58 C ATOM 209 CG LYS A 14 12.617 -7.471 -4.270 1.00 0.80 C ATOM 210 CD LYS A 14 13.646 -6.880 -5.252 1.00 2.21 C ATOM 211 CE LYS A 14 13.304 -7.155 -6.722 1.00 3.07 C ATOM 212 NZ LYS A 14 13.676 -8.536 -7.117 1.00 3.36 N ATOM 0 H LYS A 14 12.138 -5.751 -2.261 1.00 0.49 H new ATOM 0 HA LYS A 14 11.780 -4.837 -4.936 1.00 0.58 H new ATOM 0 HB2 LYS A 14 10.596 -7.262 -3.547 1.00 0.58 H new ATOM 0 HB3 LYS A 14 10.762 -7.023 -5.275 1.00 0.58 H new ATOM 0 HG2 LYS A 14 13.013 -7.388 -3.258 1.00 0.80 H new ATOM 0 HG3 LYS A 14 12.504 -8.534 -4.481 1.00 0.80 H new ATOM 0 HD2 LYS A 14 13.711 -5.803 -5.096 1.00 2.21 H new ATOM 0 HD3 LYS A 14 14.630 -7.294 -5.031 1.00 2.21 H new ATOM 0 HE2 LYS A 14 12.236 -7.004 -6.883 1.00 3.07 H new ATOM 0 HE3 LYS A 14 13.826 -6.440 -7.358 1.00 3.07 H new ATOM 0 HZ1 LYS A 14 13.432 -8.689 -8.116 1.00 3.36 H new ATOM 0 HZ2 LYS A 14 14.699 -8.671 -6.986 1.00 3.36 H new ATOM 0 HZ3 LYS A 14 13.159 -9.217 -6.526 1.00 3.36 H new ATOM 226 N ALA A 15 9.217 -4.527 -2.947 1.00 0.52 N ATOM 227 CA ALA A 15 7.973 -3.785 -2.768 1.00 0.58 C ATOM 228 C ALA A 15 8.134 -2.325 -3.195 1.00 0.46 C ATOM 229 O ALA A 15 7.539 -1.902 -4.179 1.00 0.43 O ATOM 230 CB ALA A 15 7.509 -3.885 -1.313 1.00 0.64 C ATOM 0 H ALA A 15 9.576 -4.922 -2.078 1.00 0.52 H new ATOM 0 HA ALA A 15 7.210 -4.229 -3.408 1.00 0.58 H new ATOM 0 HB1 ALA A 15 6.580 -3.328 -1.188 1.00 0.64 H new ATOM 0 HB2 ALA A 15 7.343 -4.931 -1.055 1.00 0.64 H new ATOM 0 HB3 ALA A 15 8.273 -3.467 -0.658 1.00 0.64 H new ATOM 236 N VAL A 16 8.965 -1.556 -2.487 1.00 0.40 N ATOM 237 CA VAL A 16 9.200 -0.141 -2.775 1.00 0.35 C ATOM 238 C VAL A 16 9.593 0.031 -4.248 1.00 0.36 C ATOM 239 O VAL A 16 8.979 0.834 -4.948 1.00 0.49 O ATOM 240 CB VAL A 16 10.234 0.448 -1.794 1.00 0.29 C ATOM 241 CG1 VAL A 16 10.484 1.925 -2.079 1.00 0.52 C ATOM 242 CG2 VAL A 16 9.741 0.386 -0.338 1.00 0.68 C ATOM 0 H VAL A 16 9.498 -1.903 -1.690 1.00 0.40 H new ATOM 0 HA VAL A 16 8.282 0.426 -2.623 1.00 0.35 H new ATOM 0 HB VAL A 16 11.136 -0.148 -1.929 1.00 0.29 H new ATOM 0 HG11 VAL A 16 11.217 2.313 -1.372 1.00 0.52 H new ATOM 0 HG12 VAL A 16 10.863 2.041 -3.094 1.00 0.52 H new ATOM 0 HG13 VAL A 16 9.551 2.479 -1.975 1.00 0.52 H new ATOM 0 HG21 VAL A 16 10.498 0.811 0.321 1.00 0.68 H new ATOM 0 HG22 VAL A 16 8.816 0.955 -0.242 1.00 0.68 H new ATOM 0 HG23 VAL A 16 9.558 -0.652 -0.060 1.00 0.68 H new ATOM 252 N GLY A 17 10.496 -0.816 -4.766 1.00 0.32 N ATOM 253 CA GLY A 17 10.935 -0.787 -6.162 1.00 0.36 C ATOM 254 C GLY A 17 9.822 -1.037 -7.188 1.00 0.39 C ATOM 255 O GLY A 17 9.950 -0.602 -8.329 1.00 0.58 O ATOM 0 H GLY A 17 10.945 -1.548 -4.216 1.00 0.32 H new ATOM 0 HA2 GLY A 17 11.388 0.183 -6.366 1.00 0.36 H new ATOM 0 HA3 GLY A 17 11.713 -1.538 -6.300 1.00 0.36 H new ATOM 259 N ALA A 18 8.722 -1.692 -6.795 1.00 0.37 N ATOM 260 CA ALA A 18 7.536 -1.892 -7.626 1.00 0.44 C ATOM 261 C ALA A 18 6.606 -0.664 -7.677 1.00 0.53 C ATOM 262 O ALA A 18 5.731 -0.615 -8.545 1.00 1.11 O ATOM 263 CB ALA A 18 6.791 -3.116 -7.091 1.00 0.49 C ATOM 0 H ALA A 18 8.634 -2.106 -5.867 1.00 0.37 H new ATOM 0 HA ALA A 18 7.861 -2.047 -8.655 1.00 0.44 H new ATOM 0 HB1 ALA A 18 5.899 -3.291 -7.693 1.00 0.49 H new ATOM 0 HB2 ALA A 18 7.441 -3.989 -7.144 1.00 0.49 H new ATOM 0 HB3 ALA A 18 6.501 -2.941 -6.055 1.00 0.49 H new ATOM 269 N PHE A 19 6.795 0.326 -6.790 1.00 0.47 N ATOM 270 CA PHE A 19 6.067 1.602 -6.792 1.00 0.53 C ATOM 271 C PHE A 19 6.976 2.846 -6.943 1.00 0.63 C ATOM 272 O PHE A 19 6.441 3.942 -7.087 1.00 0.75 O ATOM 273 CB PHE A 19 5.190 1.756 -5.535 1.00 0.45 C ATOM 274 CG PHE A 19 4.093 0.755 -5.201 1.00 0.45 C ATOM 275 CD1 PHE A 19 3.490 -0.029 -6.197 1.00 1.57 C ATOM 276 CD2 PHE A 19 3.559 0.722 -3.892 1.00 1.68 C ATOM 277 CE1 PHE A 19 2.402 -0.851 -5.880 1.00 1.67 C ATOM 278 CE2 PHE A 19 2.436 -0.073 -3.579 1.00 1.61 C ATOM 279 CZ PHE A 19 1.876 -0.883 -4.579 1.00 0.58 C ATOM 0 H PHE A 19 7.476 0.258 -6.033 1.00 0.47 H new ATOM 0 HA PHE A 19 5.435 1.559 -7.679 1.00 0.53 H new ATOM 0 HB2 PHE A 19 5.865 1.783 -4.680 1.00 0.45 H new ATOM 0 HB3 PHE A 19 4.716 2.736 -5.598 1.00 0.45 H new ATOM 0 HD1 PHE A 19 3.866 0.002 -7.209 1.00 1.57 H new ATOM 0 HD2 PHE A 19 4.020 1.317 -3.117 1.00 1.68 H new ATOM 0 HE1 PHE A 19 1.961 -1.470 -6.648 1.00 1.67 H new ATOM 0 HE2 PHE A 19 2.014 -0.058 -2.585 1.00 1.61 H new ATOM 0 HZ PHE A 19 1.042 -1.529 -4.348 1.00 0.58 H new ATOM 289 N SER A 20 8.314 2.712 -6.964 1.00 0.62 N ATOM 290 CA SER A 20 9.312 3.767 -7.254 1.00 0.68 C ATOM 291 C SER A 20 9.245 4.327 -8.694 1.00 0.69 C ATOM 292 O SER A 20 10.270 4.518 -9.349 1.00 0.96 O ATOM 293 CB SER A 20 10.734 3.246 -6.970 1.00 0.75 C ATOM 294 OG SER A 20 10.916 2.988 -5.596 1.00 1.87 O ATOM 0 H SER A 20 8.757 1.814 -6.768 1.00 0.62 H new ATOM 0 HA SER A 20 9.064 4.596 -6.591 1.00 0.68 H new ATOM 0 HB2 SER A 20 10.911 2.334 -7.541 1.00 0.75 H new ATOM 0 HB3 SER A 20 11.467 3.980 -7.305 1.00 0.75 H new ATOM 0 HG SER A 20 10.268 2.315 -5.301 1.00 1.87 H new ATOM 300 N ALA A 21 8.041 4.586 -9.207 1.00 0.53 N ATOM 301 CA ALA A 21 7.761 5.095 -10.543 1.00 0.63 C ATOM 302 C ALA A 21 6.466 5.923 -10.543 1.00 0.71 C ATOM 303 O ALA A 21 5.622 5.800 -9.656 1.00 1.55 O ATOM 304 CB ALA A 21 7.639 3.899 -11.492 1.00 0.79 C ATOM 0 H ALA A 21 7.189 4.436 -8.667 1.00 0.53 H new ATOM 0 HA ALA A 21 8.568 5.749 -10.872 1.00 0.63 H new ATOM 0 HB1 ALA A 21 7.429 4.255 -12.501 1.00 0.79 H new ATOM 0 HB2 ALA A 21 8.574 3.338 -11.492 1.00 0.79 H new ATOM 0 HB3 ALA A 21 6.827 3.252 -11.159 1.00 0.79 H new ATOM 310 N THR A 22 6.281 6.746 -11.576 1.00 0.55 N ATOM 311 CA THR A 22 5.107 7.602 -11.743 1.00 0.61 C ATOM 312 C THR A 22 4.051 6.882 -12.588 1.00 1.25 C ATOM 313 O THR A 22 4.293 6.550 -13.744 1.00 3.07 O ATOM 314 CB THR A 22 5.524 8.956 -12.346 1.00 0.71 C ATOM 315 OG1 THR A 22 6.412 8.796 -13.432 1.00 1.37 O ATOM 316 CG2 THR A 22 6.254 9.804 -11.302 1.00 1.46 C ATOM 0 H THR A 22 6.957 6.838 -12.335 1.00 0.55 H new ATOM 0 HA THR A 22 4.657 7.808 -10.772 1.00 0.61 H new ATOM 0 HB THR A 22 4.606 9.438 -12.681 1.00 0.71 H new ATOM 0 HG1 THR A 22 6.118 8.044 -13.987 1.00 1.37 H new ATOM 0 HG21 THR A 22 6.542 10.758 -11.745 1.00 1.46 H new ATOM 0 HG22 THR A 22 5.595 9.982 -10.453 1.00 1.46 H new ATOM 0 HG23 THR A 22 7.146 9.277 -10.964 1.00 1.46 H new ATOM 324 N ASP A 23 2.891 6.587 -11.980 1.00 0.54 N ATOM 325 CA ASP A 23 1.725 5.907 -12.584 1.00 0.60 C ATOM 326 C ASP A 23 1.940 4.411 -12.903 1.00 0.66 C ATOM 327 O ASP A 23 0.987 3.703 -13.218 1.00 0.93 O ATOM 328 CB ASP A 23 1.230 6.697 -13.812 1.00 0.75 C ATOM 329 CG ASP A 23 -0.267 6.544 -14.106 1.00 2.39 C ATOM 330 OD1 ASP A 23 -1.037 6.389 -13.132 1.00 3.79 O ATOM 331 OD2 ASP A 23 -0.638 6.723 -15.287 1.00 3.29 O ATOM 0 H ASP A 23 2.729 6.827 -11.002 1.00 0.54 H new ATOM 0 HA ASP A 23 0.947 5.902 -11.821 1.00 0.60 H new ATOM 0 HB2 ASP A 23 1.452 7.754 -13.662 1.00 0.75 H new ATOM 0 HB3 ASP A 23 1.794 6.374 -14.687 1.00 0.75 H new ATOM 336 N SER A 24 3.162 3.879 -12.759 1.00 0.64 N ATOM 337 CA SER A 24 3.529 2.513 -13.173 1.00 0.84 C ATOM 338 C SER A 24 3.181 1.472 -12.090 1.00 1.03 C ATOM 339 O SER A 24 3.945 0.553 -11.799 1.00 1.63 O ATOM 340 CB SER A 24 5.012 2.487 -13.572 1.00 0.97 C ATOM 341 OG SER A 24 5.215 1.560 -14.620 1.00 1.43 O ATOM 0 H SER A 24 3.939 4.394 -12.344 1.00 0.64 H new ATOM 0 HA SER A 24 2.938 2.230 -14.044 1.00 0.84 H new ATOM 0 HB2 SER A 24 5.329 3.481 -13.888 1.00 0.97 H new ATOM 0 HB3 SER A 24 5.624 2.215 -12.712 1.00 0.97 H new ATOM 0 HG SER A 24 6.163 1.551 -14.869 1.00 1.43 H new ATOM 347 N PHE A 25 2.054 1.687 -11.404 1.00 0.87 N ATOM 348 CA PHE A 25 1.778 1.137 -10.085 1.00 0.88 C ATOM 349 C PHE A 25 1.392 -0.346 -10.104 1.00 0.88 C ATOM 350 O PHE A 25 0.325 -0.742 -10.595 1.00 1.69 O ATOM 351 CB PHE A 25 0.697 1.968 -9.407 1.00 0.98 C ATOM 352 CG PHE A 25 0.603 1.718 -7.917 1.00 1.31 C ATOM 353 CD1 PHE A 25 1.445 2.432 -7.044 1.00 2.56 C ATOM 354 CD2 PHE A 25 -0.371 0.845 -7.396 1.00 1.52 C ATOM 355 CE1 PHE A 25 1.245 2.354 -5.656 1.00 2.87 C ATOM 356 CE2 PHE A 25 -0.583 0.791 -6.004 1.00 1.62 C ATOM 357 CZ PHE A 25 0.202 1.570 -5.140 1.00 1.93 C ATOM 0 H PHE A 25 1.294 2.263 -11.765 1.00 0.87 H new ATOM 0 HA PHE A 25 2.706 1.190 -9.516 1.00 0.88 H new ATOM 0 HB2 PHE A 25 0.898 3.025 -9.580 1.00 0.98 H new ATOM 0 HB3 PHE A 25 -0.266 1.747 -9.868 1.00 0.98 H new ATOM 0 HD1 PHE A 25 2.245 3.040 -7.441 1.00 2.56 H new ATOM 0 HD2 PHE A 25 -0.952 0.221 -8.059 1.00 1.52 H new ATOM 0 HE1 PHE A 25 1.894 2.898 -4.986 1.00 2.87 H new ATOM 0 HE2 PHE A 25 -1.352 0.148 -5.601 1.00 1.62 H new ATOM 0 HZ PHE A 25 0.003 1.566 -4.078 1.00 1.93 H new ATOM 367 N ASP A 26 2.256 -1.190 -9.535 1.00 1.07 N ATOM 368 CA ASP A 26 2.127 -2.628 -9.703 1.00 1.11 C ATOM 369 C ASP A 26 1.511 -3.379 -8.515 1.00 0.84 C ATOM 370 O ASP A 26 2.018 -4.424 -8.137 1.00 0.80 O ATOM 371 CB ASP A 26 3.431 -3.214 -10.270 1.00 1.30 C ATOM 372 CG ASP A 26 3.183 -4.183 -11.433 1.00 1.67 C ATOM 373 OD1 ASP A 26 2.011 -4.460 -11.792 1.00 2.24 O ATOM 374 OD2 ASP A 26 4.200 -4.649 -11.978 1.00 2.77 O ATOM 0 H ASP A 26 3.046 -0.899 -8.959 1.00 1.07 H new ATOM 0 HA ASP A 26 1.356 -2.799 -10.454 1.00 1.11 H new ATOM 0 HB2 ASP A 26 4.073 -2.401 -10.609 1.00 1.30 H new ATOM 0 HB3 ASP A 26 3.967 -3.734 -9.476 1.00 1.30 H new ATOM 379 N HIS A 27 0.390 -2.896 -7.947 1.00 0.89 N ATOM 380 CA HIS A 27 -0.217 -3.397 -6.689 1.00 0.82 C ATOM 381 C HIS A 27 -0.273 -4.927 -6.572 1.00 0.76 C ATOM 382 O HIS A 27 0.154 -5.498 -5.567 1.00 0.69 O ATOM 383 CB HIS A 27 -1.600 -2.770 -6.452 1.00 1.05 C ATOM 384 CG HIS A 27 -2.651 -3.032 -7.505 1.00 1.95 C ATOM 385 ND1 HIS A 27 -3.668 -3.963 -7.442 1.00 2.65 N ATOM 386 CD2 HIS A 27 -2.818 -2.314 -8.658 1.00 3.29 C ATOM 387 CE1 HIS A 27 -4.410 -3.827 -8.556 1.00 3.57 C ATOM 388 NE2 HIS A 27 -3.915 -2.850 -9.331 1.00 3.95 N ATOM 0 H HIS A 27 -0.137 -2.125 -8.358 1.00 0.89 H new ATOM 0 HA HIS A 27 0.459 -3.075 -5.897 1.00 0.82 H new ATOM 0 HB2 HIS A 27 -1.978 -3.131 -5.496 1.00 1.05 H new ATOM 0 HB3 HIS A 27 -1.473 -1.691 -6.358 1.00 1.05 H new ATOM 0 HD2 HIS A 27 -2.211 -1.484 -8.987 1.00 3.29 H new ATOM 0 HE1 HIS A 27 -5.281 -4.420 -8.793 1.00 3.57 H new ATOM 0 HE2 HIS A 27 -4.273 -2.556 -10.240 1.00 3.95 H new ATOM 396 N LYS A 28 -0.731 -5.566 -7.655 1.00 0.86 N ATOM 397 CA LYS A 28 -0.611 -6.982 -8.000 1.00 1.02 C ATOM 398 C LYS A 28 0.734 -7.568 -7.543 1.00 0.62 C ATOM 399 O LYS A 28 0.787 -8.374 -6.614 1.00 0.55 O ATOM 400 CB LYS A 28 -0.757 -7.107 -9.545 1.00 1.52 C ATOM 401 CG LYS A 28 -1.945 -6.392 -10.229 1.00 1.63 C ATOM 402 CD LYS A 28 -1.549 -5.457 -11.391 1.00 2.45 C ATOM 403 CE LYS A 28 -1.060 -4.086 -10.913 1.00 2.94 C ATOM 404 NZ LYS A 28 -0.389 -3.314 -11.987 1.00 4.41 N ATOM 0 H LYS A 28 -1.241 -5.056 -8.376 1.00 0.86 H new ATOM 0 HA LYS A 28 -1.390 -7.547 -7.488 1.00 1.02 H new ATOM 0 HB2 LYS A 28 0.161 -6.733 -9.997 1.00 1.52 H new ATOM 0 HB3 LYS A 28 -0.823 -8.168 -9.788 1.00 1.52 H new ATOM 0 HG2 LYS A 28 -2.637 -7.145 -10.606 1.00 1.63 H new ATOM 0 HG3 LYS A 28 -2.483 -5.811 -9.480 1.00 1.63 H new ATOM 0 HD2 LYS A 28 -0.765 -5.931 -11.981 1.00 2.45 H new ATOM 0 HD3 LYS A 28 -2.406 -5.322 -12.050 1.00 2.45 H new ATOM 0 HE2 LYS A 28 -1.907 -3.514 -10.534 1.00 2.94 H new ATOM 0 HE3 LYS A 28 -0.369 -4.221 -10.081 1.00 2.94 H new ATOM 0 HZ1 LYS A 28 -0.138 -2.370 -11.631 1.00 4.41 H new ATOM 0 HZ2 LYS A 28 0.474 -3.812 -12.285 1.00 4.41 H new ATOM 0 HZ3 LYS A 28 -1.032 -3.218 -12.799 1.00 4.41 H new ATOM 418 N LYS A 29 1.812 -7.155 -8.216 1.00 0.63 N ATOM 419 CA LYS A 29 3.185 -7.621 -8.055 1.00 0.58 C ATOM 420 C LYS A 29 3.844 -7.051 -6.809 1.00 0.39 C ATOM 421 O LYS A 29 4.690 -7.729 -6.259 1.00 0.43 O ATOM 422 CB LYS A 29 4.009 -7.270 -9.303 1.00 0.96 C ATOM 423 CG LYS A 29 3.978 -8.418 -10.326 1.00 1.21 C ATOM 424 CD LYS A 29 4.450 -7.979 -11.720 1.00 1.50 C ATOM 425 CE LYS A 29 5.874 -7.395 -11.726 1.00 1.79 C ATOM 426 NZ LYS A 29 6.017 -6.345 -12.759 1.00 2.64 N ATOM 0 H LYS A 29 1.739 -6.437 -8.936 1.00 0.63 H new ATOM 0 HA LYS A 29 3.151 -8.704 -7.934 1.00 0.58 H new ATOM 0 HB2 LYS A 29 3.616 -6.361 -9.759 1.00 0.96 H new ATOM 0 HB3 LYS A 29 5.040 -7.062 -9.016 1.00 0.96 H new ATOM 0 HG2 LYS A 29 4.610 -9.232 -9.972 1.00 1.21 H new ATOM 0 HG3 LYS A 29 2.963 -8.810 -10.397 1.00 1.21 H new ATOM 0 HD2 LYS A 29 4.413 -8.835 -12.394 1.00 1.50 H new ATOM 0 HD3 LYS A 29 3.758 -7.234 -12.112 1.00 1.50 H new ATOM 0 HE2 LYS A 29 6.103 -6.978 -10.745 1.00 1.79 H new ATOM 0 HE3 LYS A 29 6.596 -8.191 -11.910 1.00 1.79 H new ATOM 0 HZ1 LYS A 29 6.856 -5.766 -12.552 1.00 2.64 H new ATOM 0 HZ2 LYS A 29 6.125 -6.789 -13.693 1.00 2.64 H new ATOM 0 HZ3 LYS A 29 5.171 -5.741 -12.759 1.00 2.64 H new ATOM 440 N PHE A 30 3.435 -5.880 -6.321 1.00 0.36 N ATOM 441 CA PHE A 30 3.858 -5.315 -5.046 1.00 0.33 C ATOM 442 C PHE A 30 3.563 -6.290 -3.909 1.00 0.30 C ATOM 443 O PHE A 30 4.510 -6.788 -3.306 1.00 0.34 O ATOM 444 CB PHE A 30 3.181 -3.962 -4.838 1.00 0.47 C ATOM 445 CG PHE A 30 3.497 -3.295 -3.514 1.00 0.58 C ATOM 446 CD1 PHE A 30 4.617 -2.461 -3.410 1.00 1.86 C ATOM 447 CD2 PHE A 30 2.639 -3.440 -2.411 1.00 2.15 C ATOM 448 CE1 PHE A 30 4.904 -1.800 -2.204 1.00 1.89 C ATOM 449 CE2 PHE A 30 2.914 -2.780 -1.201 1.00 2.31 C ATOM 450 CZ PHE A 30 4.058 -1.971 -1.098 1.00 1.06 C ATOM 0 H PHE A 30 2.778 -5.281 -6.821 1.00 0.36 H new ATOM 0 HA PHE A 30 4.936 -5.152 -5.053 1.00 0.33 H new ATOM 0 HB2 PHE A 30 3.478 -3.294 -5.646 1.00 0.47 H new ATOM 0 HB3 PHE A 30 2.102 -4.095 -4.914 1.00 0.47 H new ATOM 0 HD1 PHE A 30 5.265 -2.325 -4.263 1.00 1.86 H new ATOM 0 HD2 PHE A 30 1.761 -4.064 -2.494 1.00 2.15 H new ATOM 0 HE1 PHE A 30 5.773 -1.163 -2.129 1.00 1.89 H new ATOM 0 HE2 PHE A 30 2.251 -2.894 -0.356 1.00 2.31 H new ATOM 0 HZ PHE A 30 4.287 -1.479 -0.164 1.00 1.06 H new ATOM 460 N PHE A 31 2.281 -6.616 -3.663 1.00 0.29 N ATOM 461 CA PHE A 31 1.874 -7.568 -2.618 1.00 0.29 C ATOM 462 C PHE A 31 2.472 -8.974 -2.816 1.00 0.27 C ATOM 463 O PHE A 31 2.684 -9.682 -1.831 1.00 0.33 O ATOM 464 CB PHE A 31 0.347 -7.652 -2.518 1.00 0.34 C ATOM 465 CG PHE A 31 -0.284 -6.919 -1.338 1.00 0.49 C ATOM 466 CD1 PHE A 31 -0.409 -5.519 -1.348 1.00 1.56 C ATOM 467 CD2 PHE A 31 -0.826 -7.642 -0.258 1.00 1.87 C ATOM 468 CE1 PHE A 31 -1.036 -4.845 -0.285 1.00 1.54 C ATOM 469 CE2 PHE A 31 -1.444 -6.973 0.813 1.00 2.07 C ATOM 470 CZ PHE A 31 -1.550 -5.573 0.801 1.00 0.97 C ATOM 0 H PHE A 31 1.497 -6.225 -4.186 1.00 0.29 H new ATOM 0 HA PHE A 31 2.275 -7.180 -1.682 1.00 0.29 H new ATOM 0 HB2 PHE A 31 -0.081 -7.255 -3.439 1.00 0.34 H new ATOM 0 HB3 PHE A 31 0.063 -8.703 -2.462 1.00 0.34 H new ATOM 0 HD1 PHE A 31 -0.019 -4.954 -2.182 1.00 1.56 H new ATOM 0 HD2 PHE A 31 -0.766 -8.720 -0.252 1.00 1.87 H new ATOM 0 HE1 PHE A 31 -1.122 -3.769 -0.303 1.00 1.54 H new ATOM 0 HE2 PHE A 31 -1.838 -7.537 1.646 1.00 2.07 H new ATOM 0 HZ PHE A 31 -2.025 -5.058 1.623 1.00 0.97 H new ATOM 480 N GLN A 32 2.756 -9.376 -4.062 1.00 0.25 N ATOM 481 CA GLN A 32 3.488 -10.613 -4.364 1.00 0.26 C ATOM 482 C GLN A 32 4.995 -10.525 -4.018 1.00 0.25 C ATOM 483 O GLN A 32 5.492 -11.371 -3.280 1.00 0.28 O ATOM 484 CB GLN A 32 3.268 -10.986 -5.841 1.00 0.33 C ATOM 485 CG GLN A 32 1.807 -11.374 -6.147 1.00 0.46 C ATOM 486 CD GLN A 32 1.470 -11.335 -7.639 1.00 1.03 C ATOM 487 OE1 GLN A 32 2.242 -11.742 -8.491 1.00 2.00 O ATOM 488 NE2 GLN A 32 0.296 -10.860 -8.007 1.00 1.00 N ATOM 0 H GLN A 32 2.483 -8.850 -4.892 1.00 0.25 H new ATOM 0 HA GLN A 32 3.089 -11.402 -3.726 1.00 0.26 H new ATOM 0 HB2 GLN A 32 3.555 -10.144 -6.471 1.00 0.33 H new ATOM 0 HB3 GLN A 32 3.923 -11.817 -6.103 1.00 0.33 H new ATOM 0 HG2 GLN A 32 1.617 -12.377 -5.765 1.00 0.46 H new ATOM 0 HG3 GLN A 32 1.139 -10.698 -5.613 1.00 0.46 H new ATOM 0 HE21 GLN A 32 -0.358 -10.517 -7.304 1.00 1.00 H new ATOM 0 HE22 GLN A 32 0.042 -10.836 -8.995 1.00 1.00 H new ATOM 497 N MET A 33 5.719 -9.510 -4.511 1.00 0.28 N ATOM 498 CA MET A 33 7.158 -9.249 -4.314 1.00 0.33 C ATOM 499 C MET A 33 7.516 -9.002 -2.849 1.00 0.33 C ATOM 500 O MET A 33 8.481 -9.573 -2.351 1.00 0.41 O ATOM 501 CB MET A 33 7.591 -8.013 -5.124 1.00 0.38 C ATOM 502 CG MET A 33 7.784 -8.279 -6.620 1.00 0.51 C ATOM 503 SD MET A 33 8.086 -6.755 -7.557 1.00 1.74 S ATOM 504 CE MET A 33 8.818 -7.419 -9.072 1.00 1.51 C ATOM 0 H MET A 33 5.287 -8.798 -5.100 1.00 0.28 H new ATOM 0 HA MET A 33 7.680 -10.143 -4.654 1.00 0.33 H new ATOM 0 HB2 MET A 33 6.843 -7.230 -4.999 1.00 0.38 H new ATOM 0 HB3 MET A 33 8.524 -7.631 -4.711 1.00 0.38 H new ATOM 0 HG2 MET A 33 8.622 -8.961 -6.760 1.00 0.51 H new ATOM 0 HG3 MET A 33 6.899 -8.777 -7.015 1.00 0.51 H new ATOM 0 HE1 MET A 33 9.058 -6.600 -9.749 1.00 1.51 H new ATOM 0 HE2 MET A 33 9.728 -7.966 -8.827 1.00 1.51 H new ATOM 0 HE3 MET A 33 8.109 -8.092 -9.554 1.00 1.51 H new ATOM 514 N VAL A 34 6.724 -8.174 -2.156 1.00 0.31 N ATOM 515 CA VAL A 34 6.801 -7.956 -0.702 1.00 0.31 C ATOM 516 C VAL A 34 6.368 -9.204 0.101 1.00 0.31 C ATOM 517 O VAL A 34 6.474 -9.244 1.327 1.00 0.39 O ATOM 518 CB VAL A 34 5.937 -6.743 -0.336 1.00 0.34 C ATOM 519 CG1 VAL A 34 4.469 -7.095 -0.299 1.00 0.45 C ATOM 520 CG2 VAL A 34 6.328 -6.100 1.001 1.00 0.39 C ATOM 0 H VAL A 34 5.991 -7.621 -2.601 1.00 0.31 H new ATOM 0 HA VAL A 34 7.841 -7.765 -0.436 1.00 0.31 H new ATOM 0 HB VAL A 34 6.122 -6.016 -1.126 1.00 0.34 H new ATOM 0 HG11 VAL A 34 3.889 -6.210 -0.036 1.00 0.45 H new ATOM 0 HG12 VAL A 34 4.157 -7.456 -1.279 1.00 0.45 H new ATOM 0 HG13 VAL A 34 4.300 -7.874 0.445 1.00 0.45 H new ATOM 0 HG21 VAL A 34 5.677 -5.248 1.199 1.00 0.39 H new ATOM 0 HG22 VAL A 34 6.221 -6.832 1.802 1.00 0.39 H new ATOM 0 HG23 VAL A 34 7.363 -5.763 0.953 1.00 0.39 H new ATOM 530 N GLY A 35 5.810 -10.211 -0.584 1.00 0.31 N ATOM 531 CA GLY A 35 5.275 -11.434 -0.009 1.00 0.38 C ATOM 532 C GLY A 35 4.109 -11.235 0.959 1.00 0.36 C ATOM 533 O GLY A 35 3.832 -12.155 1.715 1.00 0.47 O ATOM 0 H GLY A 35 5.719 -10.186 -1.600 1.00 0.31 H new ATOM 0 HA2 GLY A 35 4.948 -12.086 -0.819 1.00 0.38 H new ATOM 0 HA3 GLY A 35 6.078 -11.953 0.514 1.00 0.38 H new ATOM 537 N LEU A 36 3.426 -10.083 0.966 1.00 0.30 N ATOM 538 CA LEU A 36 2.366 -9.725 1.918 1.00 0.33 C ATOM 539 C LEU A 36 1.283 -10.798 1.991 1.00 0.34 C ATOM 540 O LEU A 36 1.057 -11.380 3.046 1.00 0.41 O ATOM 541 CB LEU A 36 1.731 -8.381 1.520 1.00 0.34 C ATOM 542 CG LEU A 36 2.289 -7.179 2.283 1.00 0.55 C ATOM 543 CD1 LEU A 36 1.911 -5.850 1.620 1.00 0.48 C ATOM 544 CD2 LEU A 36 1.742 -7.191 3.691 1.00 0.88 C ATOM 0 H LEU A 36 3.603 -9.347 0.283 1.00 0.30 H new ATOM 0 HA LEU A 36 2.825 -9.641 2.903 1.00 0.33 H new ATOM 0 HB2 LEU A 36 1.881 -8.222 0.452 1.00 0.34 H new ATOM 0 HB3 LEU A 36 0.655 -8.436 1.686 1.00 0.34 H new ATOM 0 HG LEU A 36 3.376 -7.261 2.282 1.00 0.55 H new ATOM 0 HD11 LEU A 36 2.329 -5.024 2.196 1.00 0.48 H new ATOM 0 HD12 LEU A 36 2.310 -5.823 0.606 1.00 0.48 H new ATOM 0 HD13 LEU A 36 0.826 -5.756 1.586 1.00 0.48 H new ATOM 0 HD21 LEU A 36 2.136 -6.337 4.242 1.00 0.88 H new ATOM 0 HD22 LEU A 36 0.654 -7.132 3.659 1.00 0.88 H new ATOM 0 HD23 LEU A 36 2.041 -8.113 4.190 1.00 0.88 H new ATOM 556 N LYS A 37 0.681 -11.095 0.836 1.00 0.32 N ATOM 557 CA LYS A 37 -0.251 -12.220 0.604 1.00 0.38 C ATOM 558 C LYS A 37 0.253 -13.596 1.104 1.00 0.37 C ATOM 559 O LYS A 37 -0.558 -14.510 1.225 1.00 0.45 O ATOM 560 CB LYS A 37 -0.608 -12.338 -0.895 1.00 0.51 C ATOM 561 CG LYS A 37 -1.705 -11.371 -1.379 1.00 0.63 C ATOM 562 CD LYS A 37 -2.474 -11.925 -2.585 1.00 0.64 C ATOM 563 CE LYS A 37 -1.597 -12.049 -3.838 1.00 0.59 C ATOM 564 NZ LYS A 37 -2.217 -12.939 -4.848 1.00 0.96 N ATOM 0 H LYS A 37 0.832 -10.538 -0.005 1.00 0.32 H new ATOM 0 HA LYS A 37 -1.130 -11.972 1.199 1.00 0.38 H new ATOM 0 HB2 LYS A 37 0.293 -12.165 -1.483 1.00 0.51 H new ATOM 0 HB3 LYS A 37 -0.929 -13.360 -1.098 1.00 0.51 H new ATOM 0 HG2 LYS A 37 -2.402 -11.177 -0.564 1.00 0.63 H new ATOM 0 HG3 LYS A 37 -1.253 -10.416 -1.646 1.00 0.63 H new ATOM 0 HD2 LYS A 37 -2.881 -12.904 -2.333 1.00 0.64 H new ATOM 0 HD3 LYS A 37 -3.321 -11.274 -2.802 1.00 0.64 H new ATOM 0 HE2 LYS A 37 -1.437 -11.061 -4.271 1.00 0.59 H new ATOM 0 HE3 LYS A 37 -0.617 -12.438 -3.561 1.00 0.59 H new ATOM 0 HZ1 LYS A 37 -1.531 -13.664 -5.139 1.00 0.96 H new ATOM 0 HZ2 LYS A 37 -3.054 -13.399 -4.438 1.00 0.96 H new ATOM 0 HZ3 LYS A 37 -2.501 -12.379 -5.677 1.00 0.96 H new ATOM 578 N LYS A 38 1.559 -13.769 1.366 1.00 0.34 N ATOM 579 CA LYS A 38 2.178 -14.994 1.906 1.00 0.39 C ATOM 580 C LYS A 38 2.423 -14.912 3.423 1.00 0.35 C ATOM 581 O LYS A 38 2.603 -15.950 4.055 1.00 0.42 O ATOM 582 CB LYS A 38 3.519 -15.284 1.202 1.00 0.50 C ATOM 583 CG LYS A 38 3.454 -15.306 -0.337 1.00 2.79 C ATOM 584 CD LYS A 38 4.841 -15.251 -0.995 1.00 2.65 C ATOM 585 CE LYS A 38 5.769 -16.370 -0.505 1.00 3.42 C ATOM 586 NZ LYS A 38 6.583 -16.930 -1.610 1.00 4.32 N ATOM 0 H LYS A 38 2.242 -13.029 1.201 1.00 0.34 H new ATOM 0 HA LYS A 38 1.471 -15.802 1.717 1.00 0.39 H new ATOM 0 HB2 LYS A 38 4.244 -14.530 1.509 1.00 0.50 H new ATOM 0 HB3 LYS A 38 3.894 -16.247 1.549 1.00 0.50 H new ATOM 0 HG2 LYS A 38 2.939 -16.211 -0.661 1.00 2.79 H new ATOM 0 HG3 LYS A 38 2.860 -14.460 -0.683 1.00 2.79 H new ATOM 0 HD2 LYS A 38 4.729 -15.324 -2.077 1.00 2.65 H new ATOM 0 HD3 LYS A 38 5.301 -14.285 -0.786 1.00 2.65 H new ATOM 0 HE2 LYS A 38 6.428 -15.982 0.272 1.00 3.42 H new ATOM 0 HE3 LYS A 38 5.175 -17.164 -0.052 1.00 3.42 H new ATOM 0 HZ1 LYS A 38 7.198 -17.683 -1.241 1.00 4.32 H new ATOM 0 HZ2 LYS A 38 5.955 -17.322 -2.340 1.00 4.32 H new ATOM 0 HZ3 LYS A 38 7.169 -16.178 -2.025 1.00 4.32 H new ATOM 600 N LYS A 39 2.442 -13.703 4.001 1.00 0.37 N ATOM 601 CA LYS A 39 2.402 -13.455 5.447 1.00 0.40 C ATOM 602 C LYS A 39 0.935 -13.558 5.927 1.00 0.36 C ATOM 603 O LYS A 39 0.007 -13.634 5.119 1.00 0.38 O ATOM 604 CB LYS A 39 3.007 -12.068 5.765 1.00 0.46 C ATOM 605 CG LYS A 39 4.343 -11.678 5.093 1.00 1.26 C ATOM 606 CD LYS A 39 5.640 -12.350 5.577 1.00 0.85 C ATOM 607 CE LYS A 39 6.900 -11.723 4.926 1.00 2.58 C ATOM 608 NZ LYS A 39 7.078 -12.073 3.494 1.00 4.11 N ATOM 0 H LYS A 39 2.487 -12.842 3.455 1.00 0.37 H new ATOM 0 HA LYS A 39 2.998 -14.199 5.975 1.00 0.40 H new ATOM 0 HB2 LYS A 39 2.267 -11.314 5.496 1.00 0.46 H new ATOM 0 HB3 LYS A 39 3.148 -12.006 6.844 1.00 0.46 H new ATOM 0 HG2 LYS A 39 4.246 -11.878 4.026 1.00 1.26 H new ATOM 0 HG3 LYS A 39 4.467 -10.601 5.206 1.00 1.26 H new ATOM 0 HD2 LYS A 39 5.711 -12.262 6.661 1.00 0.85 H new ATOM 0 HD3 LYS A 39 5.604 -13.415 5.345 1.00 0.85 H new ATOM 0 HE2 LYS A 39 6.843 -10.639 5.020 1.00 2.58 H new ATOM 0 HE3 LYS A 39 7.781 -12.045 5.480 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 7.824 -11.478 3.081 1.00 4.11 H new ATOM 0 HZ2 LYS A 39 7.349 -13.074 3.412 1.00 4.11 H new ATOM 0 HZ3 LYS A 39 6.186 -11.913 2.984 1.00 4.11 H new ATOM 622 N SER A 40 0.703 -13.595 7.242 1.00 0.36 N ATOM 623 CA SER A 40 -0.624 -13.890 7.809 1.00 0.40 C ATOM 624 C SER A 40 -1.627 -12.729 7.710 1.00 0.39 C ATOM 625 O SER A 40 -1.257 -11.556 7.754 1.00 0.36 O ATOM 626 CB SER A 40 -0.469 -14.292 9.280 1.00 0.46 C ATOM 627 OG SER A 40 0.335 -15.449 9.370 1.00 1.84 O ATOM 0 H SER A 40 1.423 -13.423 7.944 1.00 0.36 H new ATOM 0 HA SER A 40 -1.034 -14.703 7.210 1.00 0.40 H new ATOM 0 HB2 SER A 40 -0.017 -13.477 9.845 1.00 0.46 H new ATOM 0 HB3 SER A 40 -1.448 -14.481 9.721 1.00 0.46 H new ATOM 0 HG SER A 40 0.436 -15.705 10.311 1.00 1.84 H new ATOM 633 N ALA A 41 -2.929 -13.050 7.721 1.00 0.54 N ATOM 634 CA ALA A 41 -4.013 -12.062 7.797 1.00 0.58 C ATOM 635 C ALA A 41 -3.884 -11.134 9.014 1.00 0.57 C ATOM 636 O ALA A 41 -4.103 -9.925 8.911 1.00 0.54 O ATOM 637 CB ALA A 41 -5.356 -12.795 7.850 1.00 0.81 C ATOM 0 H ALA A 41 -3.262 -14.013 7.677 1.00 0.54 H new ATOM 0 HA ALA A 41 -3.950 -11.434 6.908 1.00 0.58 H new ATOM 0 HB1 ALA A 41 -6.166 -12.067 7.907 1.00 0.81 H new ATOM 0 HB2 ALA A 41 -5.475 -13.401 6.952 1.00 0.81 H new ATOM 0 HB3 ALA A 41 -5.385 -13.439 8.729 1.00 0.81 H new ATOM 643 N ASP A 42 -3.500 -11.689 10.172 1.00 0.66 N ATOM 644 CA ASP A 42 -3.302 -10.866 11.360 1.00 0.74 C ATOM 645 C ASP A 42 -2.014 -10.028 11.306 1.00 0.69 C ATOM 646 O ASP A 42 -1.906 -9.065 12.058 1.00 0.89 O ATOM 647 CB ASP A 42 -3.396 -11.693 12.650 1.00 1.03 C ATOM 648 CG ASP A 42 -4.115 -10.847 13.709 1.00 1.75 C ATOM 649 OD1 ASP A 42 -5.360 -10.711 13.616 1.00 2.84 O ATOM 650 OD2 ASP A 42 -3.398 -10.246 14.541 1.00 2.67 O ATOM 0 H ASP A 42 -3.325 -12.685 10.305 1.00 0.66 H new ATOM 0 HA ASP A 42 -4.124 -10.150 11.372 1.00 0.74 H new ATOM 0 HB2 ASP A 42 -3.941 -12.619 12.469 1.00 1.03 H new ATOM 0 HB3 ASP A 42 -2.401 -11.971 12.997 1.00 1.03 H new ATOM 655 N ASP A 43 -1.071 -10.334 10.400 1.00 0.54 N ATOM 656 CA ASP A 43 0.042 -9.453 10.040 1.00 0.53 C ATOM 657 C ASP A 43 -0.463 -8.285 9.189 1.00 0.50 C ATOM 658 O ASP A 43 -0.221 -7.128 9.527 1.00 0.58 O ATOM 659 CB ASP A 43 1.149 -10.224 9.311 1.00 0.44 C ATOM 660 CG ASP A 43 2.442 -9.437 9.455 1.00 0.92 C ATOM 661 OD1 ASP A 43 3.067 -9.599 10.524 1.00 2.21 O ATOM 662 OD2 ASP A 43 2.727 -8.630 8.545 1.00 2.03 O ATOM 0 H ASP A 43 -1.065 -11.218 9.890 1.00 0.54 H new ATOM 0 HA ASP A 43 0.472 -9.054 10.958 1.00 0.53 H new ATOM 0 HB2 ASP A 43 1.261 -11.222 9.735 1.00 0.44 H new ATOM 0 HB3 ASP A 43 0.895 -10.351 8.259 1.00 0.44 H new ATOM 667 N VAL A 44 -1.265 -8.586 8.156 1.00 0.44 N ATOM 668 CA VAL A 44 -1.969 -7.631 7.283 1.00 0.47 C ATOM 669 C VAL A 44 -2.699 -6.537 8.081 1.00 0.50 C ATOM 670 O VAL A 44 -2.723 -5.372 7.681 1.00 0.56 O ATOM 671 CB VAL A 44 -2.867 -8.417 6.295 1.00 0.48 C ATOM 672 CG1 VAL A 44 -4.282 -7.864 6.101 1.00 0.90 C ATOM 673 CG2 VAL A 44 -2.175 -8.525 4.930 1.00 0.67 C ATOM 0 H VAL A 44 -1.450 -9.554 7.892 1.00 0.44 H new ATOM 0 HA VAL A 44 -1.246 -7.073 6.688 1.00 0.47 H new ATOM 0 HB VAL A 44 -2.998 -9.395 6.759 1.00 0.48 H new ATOM 0 HG11 VAL A 44 -4.823 -8.489 5.390 1.00 0.90 H new ATOM 0 HG12 VAL A 44 -4.807 -7.863 7.056 1.00 0.90 H new ATOM 0 HG13 VAL A 44 -4.225 -6.845 5.718 1.00 0.90 H new ATOM 0 HG21 VAL A 44 -2.813 -9.079 4.241 1.00 0.67 H new ATOM 0 HG22 VAL A 44 -1.995 -7.526 4.533 1.00 0.67 H new ATOM 0 HG23 VAL A 44 -1.225 -9.047 5.044 1.00 0.67 H new ATOM 683 N LYS A 45 -3.215 -6.889 9.263 1.00 0.50 N ATOM 684 CA LYS A 45 -3.810 -5.980 10.237 1.00 0.61 C ATOM 685 C LYS A 45 -2.868 -4.894 10.776 1.00 0.75 C ATOM 686 O LYS A 45 -3.317 -3.782 11.041 1.00 1.18 O ATOM 687 CB LYS A 45 -4.460 -6.809 11.353 1.00 0.67 C ATOM 688 CG LYS A 45 -5.863 -6.249 11.574 1.00 1.19 C ATOM 689 CD LYS A 45 -6.628 -6.958 12.701 1.00 1.65 C ATOM 690 CE LYS A 45 -6.995 -8.391 12.291 1.00 2.37 C ATOM 691 NZ LYS A 45 -7.650 -9.139 13.386 1.00 3.43 N ATOM 0 H LYS A 45 -3.228 -7.859 9.577 1.00 0.50 H new ATOM 0 HA LYS A 45 -4.571 -5.400 9.714 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -4.506 -7.862 11.073 1.00 0.67 H new ATOM 0 HB3 LYS A 45 -3.873 -6.748 12.269 1.00 0.67 H new ATOM 0 HG2 LYS A 45 -5.790 -5.186 11.806 1.00 1.19 H new ATOM 0 HG3 LYS A 45 -6.431 -6.335 10.648 1.00 1.19 H new ATOM 0 HD2 LYS A 45 -6.018 -6.978 13.604 1.00 1.65 H new ATOM 0 HD3 LYS A 45 -7.533 -6.400 12.940 1.00 1.65 H new ATOM 0 HE2 LYS A 45 -7.659 -8.360 11.427 1.00 2.37 H new ATOM 0 HE3 LYS A 45 -6.094 -8.920 11.981 1.00 2.37 H new ATOM 0 HZ1 LYS A 45 -7.006 -9.877 13.736 1.00 3.43 H new ATOM 0 HZ2 LYS A 45 -7.882 -8.486 14.162 1.00 3.43 H new ATOM 0 HZ3 LYS A 45 -8.523 -9.580 13.032 1.00 3.43 H new ATOM 705 N LYS A 46 -1.569 -5.192 10.903 1.00 0.43 N ATOM 706 CA LYS A 46 -0.509 -4.246 11.277 1.00 0.47 C ATOM 707 C LYS A 46 0.109 -3.584 10.046 1.00 0.48 C ATOM 708 O LYS A 46 0.489 -2.420 10.142 1.00 0.61 O ATOM 709 CB LYS A 46 0.601 -4.937 12.088 1.00 0.50 C ATOM 710 CG LYS A 46 0.174 -5.440 13.478 1.00 0.92 C ATOM 711 CD LYS A 46 -0.478 -6.824 13.426 1.00 1.40 C ATOM 712 CE LYS A 46 -0.805 -7.369 14.818 1.00 1.76 C ATOM 713 NZ LYS A 46 -1.168 -8.803 14.744 1.00 2.29 N ATOM 0 H LYS A 46 -1.213 -6.134 10.742 1.00 0.43 H new ATOM 0 HA LYS A 46 -0.978 -3.481 11.895 1.00 0.47 H new ATOM 0 HB2 LYS A 46 0.978 -5.782 11.512 1.00 0.50 H new ATOM 0 HB3 LYS A 46 1.429 -4.239 12.209 1.00 0.50 H new ATOM 0 HG2 LYS A 46 1.046 -5.477 14.131 1.00 0.92 H new ATOM 0 HG3 LYS A 46 -0.525 -4.729 13.919 1.00 0.92 H new ATOM 0 HD2 LYS A 46 -1.393 -6.769 12.836 1.00 1.40 H new ATOM 0 HD3 LYS A 46 0.190 -7.518 12.915 1.00 1.40 H new ATOM 0 HE2 LYS A 46 0.054 -7.239 15.476 1.00 1.76 H new ATOM 0 HE3 LYS A 46 -1.628 -6.802 15.252 1.00 1.76 H new ATOM 0 HZ1 LYS A 46 -2.152 -8.929 15.056 1.00 2.29 H new ATOM 0 HZ2 LYS A 46 -1.070 -9.136 13.763 1.00 2.29 H new ATOM 0 HZ3 LYS A 46 -0.537 -9.353 15.361 1.00 2.29 H new ATOM 727 N VAL A 47 0.142 -4.287 8.901 1.00 0.44 N ATOM 728 CA VAL A 47 0.548 -3.755 7.588 1.00 0.43 C ATOM 729 C VAL A 47 -0.192 -2.451 7.328 1.00 0.41 C ATOM 730 O VAL A 47 0.426 -1.392 7.429 1.00 0.50 O ATOM 731 CB VAL A 47 0.323 -4.770 6.447 1.00 0.51 C ATOM 732 CG1 VAL A 47 0.612 -4.223 5.038 1.00 0.54 C ATOM 733 CG2 VAL A 47 1.181 -6.015 6.674 1.00 0.63 C ATOM 0 H VAL A 47 -0.121 -5.272 8.862 1.00 0.44 H new ATOM 0 HA VAL A 47 1.621 -3.564 7.611 1.00 0.43 H new ATOM 0 HB VAL A 47 -0.741 -5.006 6.480 1.00 0.51 H new ATOM 0 HG11 VAL A 47 0.427 -5.003 4.300 1.00 0.54 H new ATOM 0 HG12 VAL A 47 -0.039 -3.372 4.837 1.00 0.54 H new ATOM 0 HG13 VAL A 47 1.653 -3.905 4.978 1.00 0.54 H new ATOM 0 HG21 VAL A 47 1.015 -6.724 5.863 1.00 0.63 H new ATOM 0 HG22 VAL A 47 2.233 -5.732 6.698 1.00 0.63 H new ATOM 0 HG23 VAL A 47 0.908 -6.477 7.622 1.00 0.63 H new ATOM 743 N PHE A 48 -1.513 -2.508 7.081 1.00 0.36 N ATOM 744 CA PHE A 48 -2.346 -1.339 6.860 1.00 0.34 C ATOM 745 C PHE A 48 -2.157 -0.225 7.906 1.00 0.32 C ATOM 746 O PHE A 48 -2.149 0.956 7.559 1.00 0.35 O ATOM 747 CB PHE A 48 -3.787 -1.837 6.822 1.00 0.40 C ATOM 748 CG PHE A 48 -4.766 -0.699 6.753 1.00 0.40 C ATOM 749 CD1 PHE A 48 -5.053 -0.104 5.514 1.00 1.95 C ATOM 750 CD2 PHE A 48 -5.282 -0.165 7.948 1.00 1.97 C ATOM 751 CE1 PHE A 48 -5.840 1.053 5.478 1.00 2.02 C ATOM 752 CE2 PHE A 48 -6.050 1.004 7.908 1.00 2.01 C ATOM 753 CZ PHE A 48 -6.315 1.613 6.672 1.00 0.82 C ATOM 0 H PHE A 48 -2.028 -3.387 7.031 1.00 0.36 H new ATOM 0 HA PHE A 48 -2.057 -0.865 5.922 1.00 0.34 H new ATOM 0 HB2 PHE A 48 -3.924 -2.488 5.959 1.00 0.40 H new ATOM 0 HB3 PHE A 48 -3.988 -2.437 7.709 1.00 0.40 H new ATOM 0 HD1 PHE A 48 -4.671 -0.534 4.600 1.00 1.95 H new ATOM 0 HD2 PHE A 48 -5.086 -0.654 8.891 1.00 1.97 H new ATOM 0 HE1 PHE A 48 -6.081 1.514 4.531 1.00 2.02 H new ATOM 0 HE2 PHE A 48 -6.436 1.434 8.821 1.00 2.01 H new ATOM 0 HZ PHE A 48 -6.892 2.525 6.640 1.00 0.82 H new ATOM 763 N HIS A 49 -1.966 -0.591 9.179 1.00 0.33 N ATOM 764 CA HIS A 49 -1.866 0.364 10.275 1.00 0.40 C ATOM 765 C HIS A 49 -0.621 1.264 10.179 1.00 0.48 C ATOM 766 O HIS A 49 -0.600 2.332 10.789 1.00 0.69 O ATOM 767 CB HIS A 49 -1.926 -0.385 11.612 1.00 0.54 C ATOM 768 CG HIS A 49 -2.102 0.545 12.785 1.00 1.20 C ATOM 769 ND1 HIS A 49 -3.193 1.355 13.017 1.00 2.20 N ATOM 770 CD2 HIS A 49 -1.185 0.785 13.771 1.00 2.82 C ATOM 771 CE1 HIS A 49 -2.947 2.055 14.136 1.00 2.77 C ATOM 772 NE2 HIS A 49 -1.716 1.777 14.602 1.00 3.32 N ATOM 0 H HIS A 49 -1.877 -1.564 9.473 1.00 0.33 H new ATOM 0 HA HIS A 49 -2.716 1.042 10.206 1.00 0.40 H new ATOM 0 HB2 HIS A 49 -2.751 -1.097 11.590 1.00 0.54 H new ATOM 0 HB3 HIS A 49 -1.011 -0.962 11.743 1.00 0.54 H new ATOM 0 HD2 HIS A 49 -0.228 0.298 13.887 1.00 2.82 H new ATOM 0 HE1 HIS A 49 -3.639 2.744 14.597 1.00 2.77 H new ATOM 0 HE2 HIS A 49 -1.258 2.207 15.406 1.00 3.32 H new ATOM 780 N MET A 50 0.404 0.885 9.405 1.00 0.42 N ATOM 781 CA MET A 50 1.536 1.770 9.118 1.00 0.55 C ATOM 782 C MET A 50 1.166 2.850 8.084 1.00 0.67 C ATOM 783 O MET A 50 1.502 4.020 8.250 1.00 1.01 O ATOM 784 CB MET A 50 2.729 0.926 8.640 1.00 0.62 C ATOM 785 CG MET A 50 4.058 1.405 9.242 1.00 0.94 C ATOM 786 SD MET A 50 4.427 3.181 9.160 1.00 2.25 S ATOM 787 CE MET A 50 5.787 3.247 10.351 1.00 1.63 C ATOM 0 H MET A 50 0.471 -0.033 8.965 1.00 0.42 H new ATOM 0 HA MET A 50 1.811 2.295 10.032 1.00 0.55 H new ATOM 0 HB2 MET A 50 2.565 -0.117 8.910 1.00 0.62 H new ATOM 0 HB3 MET A 50 2.789 0.968 7.552 1.00 0.62 H new ATOM 0 HG2 MET A 50 4.079 1.106 10.290 1.00 0.94 H new ATOM 0 HG3 MET A 50 4.865 0.871 8.741 1.00 0.94 H new ATOM 0 HE1 MET A 50 6.148 4.272 10.435 1.00 1.63 H new ATOM 0 HE2 MET A 50 5.435 2.905 11.324 1.00 1.63 H new ATOM 0 HE3 MET A 50 6.599 2.603 10.012 1.00 1.63 H new ATOM 797 N LEU A 51 0.447 2.453 7.028 1.00 0.49 N ATOM 798 CA LEU A 51 0.001 3.314 5.923 1.00 0.49 C ATOM 799 C LEU A 51 -1.075 4.303 6.373 1.00 0.58 C ATOM 800 O LEU A 51 -1.148 5.418 5.859 1.00 0.78 O ATOM 801 CB LEU A 51 -0.569 2.434 4.805 1.00 0.45 C ATOM 802 CG LEU A 51 0.381 1.431 4.118 1.00 0.66 C ATOM 803 CD1 LEU A 51 1.875 1.696 4.333 1.00 2.50 C ATOM 804 CD2 LEU A 51 0.051 0.014 4.546 1.00 1.89 C ATOM 0 H LEU A 51 0.147 1.485 6.914 1.00 0.49 H new ATOM 0 HA LEU A 51 0.860 3.885 5.571 1.00 0.49 H new ATOM 0 HB2 LEU A 51 -1.407 1.872 5.217 1.00 0.45 H new ATOM 0 HB3 LEU A 51 -0.974 3.092 4.036 1.00 0.45 H new ATOM 0 HG LEU A 51 0.207 1.568 3.051 1.00 0.66 H new ATOM 0 HD11 LEU A 51 2.458 0.937 3.811 1.00 2.50 H new ATOM 0 HD12 LEU A 51 2.130 2.681 3.943 1.00 2.50 H new ATOM 0 HD13 LEU A 51 2.102 1.658 5.399 1.00 2.50 H new ATOM 0 HD21 LEU A 51 0.730 -0.682 4.053 1.00 1.89 H new ATOM 0 HD22 LEU A 51 0.162 -0.075 5.627 1.00 1.89 H new ATOM 0 HD23 LEU A 51 -0.976 -0.221 4.266 1.00 1.89 H new ATOM 816 N ASP A 52 -1.880 3.909 7.364 1.00 0.55 N ATOM 817 CA ASP A 52 -2.675 4.798 8.199 1.00 0.63 C ATOM 818 C ASP A 52 -1.762 5.747 9.005 1.00 0.53 C ATOM 819 O ASP A 52 -1.584 5.606 10.218 1.00 0.76 O ATOM 820 CB ASP A 52 -3.589 3.935 9.082 1.00 0.81 C ATOM 821 CG ASP A 52 -4.499 4.754 9.995 1.00 1.40 C ATOM 822 OD1 ASP A 52 -4.615 5.983 9.782 1.00 1.76 O ATOM 823 OD2 ASP A 52 -5.108 4.145 10.901 1.00 2.48 O ATOM 0 H ASP A 52 -1.996 2.926 7.611 1.00 0.55 H new ATOM 0 HA ASP A 52 -3.306 5.446 7.591 1.00 0.63 H new ATOM 0 HB2 ASP A 52 -4.203 3.299 8.444 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -2.974 3.274 9.693 1.00 0.81 H new ATOM 828 N LYS A 53 -1.182 6.736 8.315 1.00 0.46 N ATOM 829 CA LYS A 53 -0.215 7.706 8.846 1.00 0.56 C ATOM 830 C LYS A 53 -0.833 8.776 9.764 1.00 0.71 C ATOM 831 O LYS A 53 -0.109 9.671 10.196 1.00 1.36 O ATOM 832 CB LYS A 53 0.611 8.278 7.667 1.00 0.82 C ATOM 833 CG LYS A 53 2.054 7.739 7.679 1.00 1.27 C ATOM 834 CD LYS A 53 2.984 8.558 8.591 1.00 1.82 C ATOM 835 CE LYS A 53 4.005 7.652 9.289 1.00 3.02 C ATOM 836 NZ LYS A 53 5.153 8.430 9.808 1.00 3.97 N ATOM 0 H LYS A 53 -1.382 6.890 7.327 1.00 0.46 H new ATOM 0 HA LYS A 53 0.463 7.186 9.523 1.00 0.56 H new ATOM 0 HB2 LYS A 53 0.131 8.017 6.724 1.00 0.82 H new ATOM 0 HB3 LYS A 53 0.627 9.366 7.726 1.00 0.82 H new ATOM 0 HG2 LYS A 53 2.047 6.701 8.011 1.00 1.27 H new ATOM 0 HG3 LYS A 53 2.449 7.746 6.663 1.00 1.27 H new ATOM 0 HD2 LYS A 53 3.505 9.313 8.002 1.00 1.82 H new ATOM 0 HD3 LYS A 53 2.393 9.088 9.337 1.00 1.82 H new ATOM 0 HE2 LYS A 53 3.522 7.122 10.110 1.00 3.02 H new ATOM 0 HE3 LYS A 53 4.362 6.897 8.589 1.00 3.02 H new ATOM 0 HZ1 LYS A 53 5.825 7.788 10.274 1.00 3.97 H new ATOM 0 HZ2 LYS A 53 5.628 8.916 9.020 1.00 3.97 H new ATOM 0 HZ3 LYS A 53 4.814 9.134 10.494 1.00 3.97 H new ATOM 850 N ASP A 54 -2.119 8.648 10.121 1.00 0.62 N ATOM 851 CA ASP A 54 -2.806 9.493 11.112 1.00 0.74 C ATOM 852 C ASP A 54 -3.486 8.723 12.265 1.00 0.84 C ATOM 853 O ASP A 54 -3.674 9.329 13.316 1.00 1.18 O ATOM 854 CB ASP A 54 -3.780 10.466 10.417 1.00 0.92 C ATOM 855 CG ASP A 54 -5.231 9.976 10.430 1.00 1.38 C ATOM 856 OD1 ASP A 54 -5.467 8.871 9.883 1.00 1.46 O ATOM 857 OD2 ASP A 54 -6.106 10.672 10.980 1.00 2.61 O ATOM 0 H ASP A 54 -2.727 7.935 9.718 1.00 0.62 H new ATOM 0 HA ASP A 54 -2.019 10.067 11.602 1.00 0.74 H new ATOM 0 HB2 ASP A 54 -3.726 11.437 10.909 1.00 0.92 H new ATOM 0 HB3 ASP A 54 -3.462 10.613 9.385 1.00 0.92 H new ATOM 862 N LYS A 55 -3.806 7.422 12.094 1.00 0.79 N ATOM 863 CA LYS A 55 -4.367 6.455 13.070 1.00 1.01 C ATOM 864 C LYS A 55 -5.903 6.328 12.997 1.00 0.96 C ATOM 865 O LYS A 55 -6.515 5.823 13.939 1.00 1.42 O ATOM 866 CB LYS A 55 -3.861 6.664 14.522 1.00 1.38 C ATOM 867 CG LYS A 55 -2.335 6.782 14.741 1.00 1.86 C ATOM 868 CD LYS A 55 -1.542 5.480 14.570 1.00 1.81 C ATOM 869 CE LYS A 55 -1.328 5.106 13.102 1.00 2.00 C ATOM 870 NZ LYS A 55 -0.513 3.884 12.974 1.00 2.57 N ATOM 0 H LYS A 55 -3.666 6.978 11.186 1.00 0.79 H new ATOM 0 HA LYS A 55 -3.968 5.491 12.754 1.00 1.01 H new ATOM 0 HB2 LYS A 55 -4.327 7.569 14.913 1.00 1.38 H new ATOM 0 HB3 LYS A 55 -4.223 5.832 15.126 1.00 1.38 H new ATOM 0 HG2 LYS A 55 -1.941 7.521 14.043 1.00 1.86 H new ATOM 0 HG3 LYS A 55 -2.158 7.166 15.746 1.00 1.86 H new ATOM 0 HD2 LYS A 55 -0.573 5.583 15.059 1.00 1.81 H new ATOM 0 HD3 LYS A 55 -2.069 4.670 15.074 1.00 1.81 H new ATOM 0 HE2 LYS A 55 -2.293 4.954 12.619 1.00 2.00 H new ATOM 0 HE3 LYS A 55 -0.837 5.929 12.583 1.00 2.00 H new ATOM 0 HZ1 LYS A 55 -0.723 3.420 12.067 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 0.496 4.134 13.009 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 -0.736 3.235 13.755 1.00 2.57 H new ATOM 884 N SER A 56 -6.544 6.766 11.903 1.00 0.56 N ATOM 885 CA SER A 56 -8.008 6.746 11.757 1.00 0.52 C ATOM 886 C SER A 56 -8.638 5.408 11.336 1.00 0.49 C ATOM 887 O SER A 56 -9.861 5.295 11.396 1.00 0.60 O ATOM 888 CB SER A 56 -8.471 7.839 10.785 1.00 0.58 C ATOM 889 OG SER A 56 -8.300 7.488 9.417 1.00 0.65 O ATOM 0 H SER A 56 -6.059 7.146 11.090 1.00 0.56 H new ATOM 0 HA SER A 56 -8.364 6.927 12.771 1.00 0.52 H new ATOM 0 HB2 SER A 56 -9.523 8.056 10.968 1.00 0.58 H new ATOM 0 HB3 SER A 56 -7.917 8.755 10.989 1.00 0.58 H new ATOM 0 HG SER A 56 -7.410 7.767 9.117 1.00 0.65 H new ATOM 895 N GLY A 57 -7.862 4.407 10.893 1.00 0.53 N ATOM 896 CA GLY A 57 -8.382 3.134 10.373 1.00 0.56 C ATOM 897 C GLY A 57 -8.659 3.108 8.860 1.00 0.44 C ATOM 898 O GLY A 57 -9.098 2.081 8.348 1.00 0.51 O ATOM 0 H GLY A 57 -6.843 4.460 10.886 1.00 0.53 H new ATOM 0 HA2 GLY A 57 -7.668 2.345 10.609 1.00 0.56 H new ATOM 0 HA3 GLY A 57 -9.306 2.895 10.899 1.00 0.56 H new ATOM 902 N PHE A 58 -8.390 4.204 8.137 1.00 0.41 N ATOM 903 CA PHE A 58 -8.670 4.380 6.700 1.00 0.40 C ATOM 904 C PHE A 58 -7.523 5.145 6.013 1.00 0.47 C ATOM 905 O PHE A 58 -6.880 5.973 6.669 1.00 0.90 O ATOM 906 CB PHE A 58 -9.992 5.149 6.557 1.00 0.40 C ATOM 907 CG PHE A 58 -11.125 4.685 7.455 1.00 0.46 C ATOM 908 CD1 PHE A 58 -11.865 3.532 7.133 1.00 1.87 C ATOM 909 CD2 PHE A 58 -11.415 5.387 8.642 1.00 1.94 C ATOM 910 CE1 PHE A 58 -12.885 3.083 7.992 1.00 1.90 C ATOM 911 CE2 PHE A 58 -12.432 4.937 9.502 1.00 2.09 C ATOM 912 CZ PHE A 58 -13.168 3.786 9.176 1.00 0.98 C ATOM 0 H PHE A 58 -7.954 5.027 8.552 1.00 0.41 H new ATOM 0 HA PHE A 58 -8.752 3.406 6.217 1.00 0.40 H new ATOM 0 HB2 PHE A 58 -9.801 6.203 6.759 1.00 0.40 H new ATOM 0 HB3 PHE A 58 -10.322 5.078 5.521 1.00 0.40 H new ATOM 0 HD1 PHE A 58 -11.649 2.990 6.224 1.00 1.87 H new ATOM 0 HD2 PHE A 58 -10.853 6.275 8.892 1.00 1.94 H new ATOM 0 HE1 PHE A 58 -13.451 2.198 7.742 1.00 1.90 H new ATOM 0 HE2 PHE A 58 -12.647 5.476 10.413 1.00 2.09 H new ATOM 0 HZ PHE A 58 -13.951 3.441 9.835 1.00 0.98 H new ATOM 922 N ILE A 59 -7.286 4.918 4.708 1.00 0.27 N ATOM 923 CA ILE A 59 -6.392 5.759 3.884 1.00 0.31 C ATOM 924 C ILE A 59 -7.191 6.477 2.791 1.00 0.29 C ATOM 925 O ILE A 59 -7.945 5.859 2.037 1.00 0.29 O ATOM 926 CB ILE A 59 -5.253 4.951 3.227 1.00 0.40 C ATOM 927 CG1 ILE A 59 -4.405 4.152 4.235 1.00 0.60 C ATOM 928 CG2 ILE A 59 -4.329 5.837 2.365 1.00 0.65 C ATOM 929 CD1 ILE A 59 -3.752 2.953 3.543 1.00 0.79 C ATOM 0 H ILE A 59 -7.709 4.146 4.193 1.00 0.27 H new ATOM 0 HA ILE A 59 -5.941 6.485 4.560 1.00 0.31 H new ATOM 0 HB ILE A 59 -5.762 4.235 2.582 1.00 0.40 H new ATOM 0 HG12 ILE A 59 -3.637 4.795 4.666 1.00 0.60 H new ATOM 0 HG13 ILE A 59 -5.032 3.809 5.058 1.00 0.60 H new ATOM 0 HG21 ILE A 59 -3.544 5.223 1.924 1.00 0.65 H new ATOM 0 HG22 ILE A 59 -4.911 6.306 1.572 1.00 0.65 H new ATOM 0 HG23 ILE A 59 -3.879 6.609 2.989 1.00 0.65 H new ATOM 0 HD11 ILE A 59 -3.155 2.396 4.266 1.00 0.79 H new ATOM 0 HD12 ILE A 59 -4.526 2.303 3.134 1.00 0.79 H new ATOM 0 HD13 ILE A 59 -3.109 3.304 2.736 1.00 0.79 H new ATOM 941 N GLU A 60 -6.935 7.779 2.694 1.00 0.36 N ATOM 942 CA GLU A 60 -7.403 8.771 1.731 1.00 0.38 C ATOM 943 C GLU A 60 -6.228 9.381 0.950 1.00 0.36 C ATOM 944 O GLU A 60 -5.068 9.242 1.340 1.00 0.31 O ATOM 945 CB GLU A 60 -8.200 9.881 2.449 1.00 0.61 C ATOM 946 CG GLU A 60 -7.506 10.547 3.656 1.00 1.63 C ATOM 947 CD GLU A 60 -7.666 9.724 4.944 1.00 1.31 C ATOM 948 OE1 GLU A 60 -6.796 8.856 5.187 1.00 1.71 O ATOM 949 OE2 GLU A 60 -8.687 9.890 5.651 1.00 1.79 O ATOM 0 H GLU A 60 -6.316 8.218 3.376 1.00 0.36 H new ATOM 0 HA GLU A 60 -8.059 8.268 1.020 1.00 0.38 H new ATOM 0 HB2 GLU A 60 -8.439 10.656 1.721 1.00 0.61 H new ATOM 0 HB3 GLU A 60 -9.146 9.459 2.788 1.00 0.61 H new ATOM 0 HG2 GLU A 60 -6.446 10.675 3.438 1.00 1.63 H new ATOM 0 HG3 GLU A 60 -7.923 11.543 3.809 1.00 1.63 H new ATOM 956 N GLU A 61 -6.547 10.078 -0.148 1.00 0.54 N ATOM 957 CA GLU A 61 -5.600 10.592 -1.146 1.00 0.65 C ATOM 958 C GLU A 61 -4.421 11.404 -0.571 1.00 0.60 C ATOM 959 O GLU A 61 -3.300 11.261 -1.058 1.00 0.62 O ATOM 960 CB GLU A 61 -6.371 11.319 -2.262 1.00 0.90 C ATOM 961 CG GLU A 61 -7.180 12.556 -1.841 1.00 1.25 C ATOM 962 CD GLU A 61 -6.453 13.860 -2.185 1.00 1.94 C ATOM 963 OE1 GLU A 61 -6.426 14.200 -3.389 1.00 2.59 O ATOM 964 OE2 GLU A 61 -5.941 14.495 -1.238 1.00 3.06 O ATOM 0 H GLU A 61 -7.514 10.309 -0.375 1.00 0.54 H new ATOM 0 HA GLU A 61 -5.093 9.730 -1.580 1.00 0.65 H new ATOM 0 HB2 GLU A 61 -5.658 11.622 -3.028 1.00 0.90 H new ATOM 0 HB3 GLU A 61 -7.053 10.606 -2.726 1.00 0.90 H new ATOM 0 HG2 GLU A 61 -8.151 12.540 -2.336 1.00 1.25 H new ATOM 0 HG3 GLU A 61 -7.369 12.518 -0.768 1.00 1.25 H new ATOM 971 N ASP A 62 -4.654 12.154 0.512 1.00 0.62 N ATOM 972 CA ASP A 62 -3.664 12.911 1.286 1.00 0.67 C ATOM 973 C ASP A 62 -2.499 12.025 1.775 1.00 0.50 C ATOM 974 O ASP A 62 -1.337 12.276 1.451 1.00 0.63 O ATOM 975 CB ASP A 62 -4.412 13.583 2.454 1.00 0.87 C ATOM 976 CG ASP A 62 -3.569 14.615 3.213 1.00 1.55 C ATOM 977 OD1 ASP A 62 -2.564 14.204 3.832 1.00 2.60 O ATOM 978 OD2 ASP A 62 -3.958 15.804 3.188 1.00 2.55 O ATOM 0 H ASP A 62 -5.594 12.255 0.894 1.00 0.62 H new ATOM 0 HA ASP A 62 -3.196 13.666 0.654 1.00 0.67 H new ATOM 0 HB2 ASP A 62 -5.307 14.071 2.068 1.00 0.87 H new ATOM 0 HB3 ASP A 62 -4.744 12.814 3.152 1.00 0.87 H new ATOM 983 N GLU A 63 -2.811 10.948 2.509 1.00 0.42 N ATOM 984 CA GLU A 63 -1.823 9.971 2.985 1.00 0.51 C ATOM 985 C GLU A 63 -1.373 9.068 1.840 1.00 0.52 C ATOM 986 O GLU A 63 -0.202 8.686 1.768 1.00 0.66 O ATOM 987 CB GLU A 63 -2.431 9.143 4.127 1.00 0.81 C ATOM 988 CG GLU A 63 -2.279 9.888 5.461 1.00 0.96 C ATOM 989 CD GLU A 63 -3.412 9.568 6.433 1.00 1.35 C ATOM 990 OE1 GLU A 63 -3.591 8.381 6.817 1.00 1.34 O ATOM 991 OE2 GLU A 63 -4.142 10.509 6.806 1.00 2.86 O ATOM 0 H GLU A 63 -3.766 10.729 2.792 1.00 0.42 H new ATOM 0 HA GLU A 63 -0.946 10.499 3.360 1.00 0.51 H new ATOM 0 HB2 GLU A 63 -3.485 8.953 3.927 1.00 0.81 H new ATOM 0 HB3 GLU A 63 -1.937 8.173 4.185 1.00 0.81 H new ATOM 0 HG2 GLU A 63 -1.325 9.622 5.917 1.00 0.96 H new ATOM 0 HG3 GLU A 63 -2.255 10.962 5.275 1.00 0.96 H new ATOM 998 N LEU A 64 -2.291 8.762 0.915 1.00 0.47 N ATOM 999 CA LEU A 64 -2.014 7.947 -0.251 1.00 0.63 C ATOM 1000 C LEU A 64 -0.887 8.535 -1.101 1.00 0.71 C ATOM 1001 O LEU A 64 -0.022 7.775 -1.513 1.00 1.12 O ATOM 1002 CB LEU A 64 -3.303 7.721 -1.050 1.00 0.74 C ATOM 1003 CG LEU A 64 -3.264 6.417 -1.858 1.00 0.99 C ATOM 1004 CD1 LEU A 64 -4.654 5.775 -1.878 1.00 1.01 C ATOM 1005 CD2 LEU A 64 -2.794 6.662 -3.292 1.00 1.96 C ATOM 0 H LEU A 64 -3.258 9.083 0.966 1.00 0.47 H new ATOM 0 HA LEU A 64 -1.655 6.973 0.081 1.00 0.63 H new ATOM 0 HB2 LEU A 64 -4.152 7.698 -0.367 1.00 0.74 H new ATOM 0 HB3 LEU A 64 -3.461 8.561 -1.727 1.00 0.74 H new ATOM 0 HG LEU A 64 -2.553 5.746 -1.376 1.00 0.99 H new ATOM 0 HD11 LEU A 64 -4.619 4.850 -2.453 1.00 1.01 H new ATOM 0 HD12 LEU A 64 -4.968 5.556 -0.858 1.00 1.01 H new ATOM 0 HD13 LEU A 64 -5.365 6.461 -2.338 1.00 1.01 H new ATOM 0 HD21 LEU A 64 -2.778 5.718 -3.836 1.00 1.96 H new ATOM 0 HD22 LEU A 64 -3.477 7.354 -3.786 1.00 1.96 H new ATOM 0 HD23 LEU A 64 -1.792 7.090 -3.278 1.00 1.96 H new ATOM 1017 N GLY A 65 -0.816 9.857 -1.297 1.00 0.42 N ATOM 1018 CA GLY A 65 0.254 10.516 -2.060 1.00 0.39 C ATOM 1019 C GLY A 65 1.690 10.063 -1.732 1.00 0.37 C ATOM 1020 O GLY A 65 2.569 10.176 -2.588 1.00 0.45 O ATOM 0 H GLY A 65 -1.508 10.508 -0.926 1.00 0.42 H new ATOM 0 HA2 GLY A 65 0.074 10.347 -3.122 1.00 0.39 H new ATOM 0 HA3 GLY A 65 0.185 11.591 -1.892 1.00 0.39 H new ATOM 1024 N PHE A 66 1.931 9.517 -0.528 1.00 0.38 N ATOM 1025 CA PHE A 66 3.213 8.938 -0.122 1.00 0.37 C ATOM 1026 C PHE A 66 3.085 7.642 0.715 1.00 0.34 C ATOM 1027 O PHE A 66 4.008 7.329 1.469 1.00 0.48 O ATOM 1028 CB PHE A 66 4.067 10.036 0.544 1.00 0.46 C ATOM 1029 CG PHE A 66 3.555 10.594 1.865 1.00 0.63 C ATOM 1030 CD1 PHE A 66 2.457 11.478 1.899 1.00 1.62 C ATOM 1031 CD2 PHE A 66 4.215 10.270 3.066 1.00 2.62 C ATOM 1032 CE1 PHE A 66 2.013 12.014 3.121 1.00 1.55 C ATOM 1033 CE2 PHE A 66 3.780 10.815 4.289 1.00 2.86 C ATOM 1034 CZ PHE A 66 2.677 11.685 4.316 1.00 1.20 C ATOM 0 H PHE A 66 1.221 9.467 0.203 1.00 0.38 H new ATOM 0 HA PHE A 66 3.733 8.591 -1.015 1.00 0.37 H new ATOM 0 HB2 PHE A 66 5.067 9.636 0.709 1.00 0.46 H new ATOM 0 HB3 PHE A 66 4.166 10.863 -0.159 1.00 0.46 H new ATOM 0 HD1 PHE A 66 1.954 11.745 0.981 1.00 1.62 H new ATOM 0 HD2 PHE A 66 5.061 9.599 3.049 1.00 2.62 H new ATOM 0 HE1 PHE A 66 1.162 12.678 3.142 1.00 1.55 H new ATOM 0 HE2 PHE A 66 4.294 10.565 5.205 1.00 2.86 H new ATOM 0 HZ PHE A 66 2.339 12.101 5.254 1.00 1.20 H new ATOM 1044 N ILE A 67 1.996 6.857 0.570 1.00 0.34 N ATOM 1045 CA ILE A 67 1.699 5.617 1.322 1.00 0.32 C ATOM 1046 C ILE A 67 2.931 4.719 1.503 1.00 0.31 C ATOM 1047 O ILE A 67 3.274 4.345 2.625 1.00 0.39 O ATOM 1048 CB ILE A 67 0.453 4.899 0.723 1.00 0.47 C ATOM 1049 CG1 ILE A 67 0.207 3.503 1.301 1.00 1.16 C ATOM 1050 CG2 ILE A 67 0.349 4.784 -0.806 1.00 1.03 C ATOM 1051 CD1 ILE A 67 1.148 2.386 0.815 1.00 0.75 C ATOM 0 H ILE A 67 1.265 7.080 -0.106 1.00 0.34 H new ATOM 0 HA ILE A 67 1.431 5.891 2.342 1.00 0.32 H new ATOM 0 HB ILE A 67 -0.315 5.606 1.036 1.00 0.47 H new ATOM 0 HG12 ILE A 67 0.282 3.565 2.387 1.00 1.16 H new ATOM 0 HG13 ILE A 67 -0.817 3.212 1.068 1.00 1.16 H new ATOM 0 HG21 ILE A 67 -0.570 4.261 -1.070 1.00 1.03 H new ATOM 0 HG22 ILE A 67 0.338 5.781 -1.246 1.00 1.03 H new ATOM 0 HG23 ILE A 67 1.205 4.228 -1.188 1.00 1.03 H new ATOM 0 HD11 ILE A 67 0.875 1.446 1.294 1.00 0.75 H new ATOM 0 HD12 ILE A 67 1.060 2.281 -0.266 1.00 0.75 H new ATOM 0 HD13 ILE A 67 2.176 2.639 1.073 1.00 0.75 H new ATOM 1063 N LEU A 68 3.626 4.398 0.409 1.00 0.46 N ATOM 1064 CA LEU A 68 4.814 3.537 0.382 1.00 0.60 C ATOM 1065 C LEU A 68 5.922 4.004 1.338 1.00 0.57 C ATOM 1066 O LEU A 68 6.698 3.168 1.801 1.00 0.57 O ATOM 1067 CB LEU A 68 5.346 3.325 -1.060 1.00 1.04 C ATOM 1068 CG LEU A 68 4.974 4.433 -2.069 1.00 1.16 C ATOM 1069 CD1 LEU A 68 5.954 4.582 -3.227 1.00 1.18 C ATOM 1070 CD2 LEU A 68 3.585 4.170 -2.658 1.00 2.98 C ATOM 0 H LEU A 68 3.369 4.742 -0.516 1.00 0.46 H new ATOM 0 HA LEU A 68 4.486 2.566 0.754 1.00 0.60 H new ATOM 0 HB2 LEU A 68 6.432 3.242 -1.021 1.00 1.04 H new ATOM 0 HB3 LEU A 68 4.967 2.374 -1.434 1.00 1.04 H new ATOM 0 HG LEU A 68 5.001 5.359 -1.495 1.00 1.16 H new ATOM 0 HD11 LEU A 68 5.618 5.381 -3.888 1.00 1.18 H new ATOM 0 HD12 LEU A 68 6.943 4.825 -2.838 1.00 1.18 H new ATOM 0 HD13 LEU A 68 6.003 3.647 -3.785 1.00 1.18 H new ATOM 0 HD21 LEU A 68 3.335 4.959 -3.368 1.00 2.98 H new ATOM 0 HD22 LEU A 68 3.583 3.208 -3.170 1.00 2.98 H new ATOM 0 HD23 LEU A 68 2.847 4.156 -1.856 1.00 2.98 H new ATOM 1082 N LYS A 69 5.965 5.292 1.722 1.00 0.65 N ATOM 1083 CA LYS A 69 6.938 5.798 2.687 1.00 0.86 C ATOM 1084 C LYS A 69 6.690 5.308 4.126 1.00 0.79 C ATOM 1085 O LYS A 69 7.535 5.525 4.991 1.00 1.00 O ATOM 1086 CB LYS A 69 7.015 7.328 2.588 1.00 1.22 C ATOM 1087 CG LYS A 69 8.448 7.814 2.874 1.00 1.15 C ATOM 1088 CD LYS A 69 8.500 8.981 3.865 1.00 1.30 C ATOM 1089 CE LYS A 69 9.843 8.933 4.609 1.00 1.61 C ATOM 1090 NZ LYS A 69 10.042 10.116 5.476 1.00 2.04 N ATOM 0 H LYS A 69 5.325 6.004 1.369 1.00 0.65 H new ATOM 0 HA LYS A 69 7.911 5.382 2.425 1.00 0.86 H new ATOM 0 HB2 LYS A 69 6.707 7.650 1.593 1.00 1.22 H new ATOM 0 HB3 LYS A 69 6.323 7.780 3.298 1.00 1.22 H new ATOM 0 HG2 LYS A 69 9.035 6.984 3.268 1.00 1.15 H new ATOM 0 HG3 LYS A 69 8.916 8.119 1.938 1.00 1.15 H new ATOM 0 HD2 LYS A 69 8.393 9.929 3.338 1.00 1.30 H new ATOM 0 HD3 LYS A 69 7.673 8.914 4.572 1.00 1.30 H new ATOM 0 HE2 LYS A 69 9.889 8.028 5.215 1.00 1.61 H new ATOM 0 HE3 LYS A 69 10.656 8.874 3.885 1.00 1.61 H new ATOM 0 HZ1 LYS A 69 10.960 10.042 5.959 1.00 2.04 H new ATOM 0 HZ2 LYS A 69 10.024 10.979 4.896 1.00 2.04 H new ATOM 0 HZ3 LYS A 69 9.281 10.159 6.184 1.00 2.04 H new ATOM 1104 N GLY A 70 5.563 4.623 4.375 1.00 0.61 N ATOM 1105 CA GLY A 70 5.309 3.839 5.588 1.00 0.68 C ATOM 1106 C GLY A 70 5.677 2.354 5.463 1.00 0.51 C ATOM 1107 O GLY A 70 5.817 1.684 6.483 1.00 0.79 O ATOM 0 H GLY A 70 4.783 4.600 3.718 1.00 0.61 H new ATOM 0 HA2 GLY A 70 5.873 4.274 6.413 1.00 0.68 H new ATOM 0 HA3 GLY A 70 4.253 3.920 5.846 1.00 0.68 H new ATOM 1111 N PHE A 71 5.889 1.833 4.245 1.00 0.43 N ATOM 1112 CA PHE A 71 6.549 0.538 4.056 1.00 0.48 C ATOM 1113 C PHE A 71 8.060 0.661 4.286 1.00 0.49 C ATOM 1114 O PHE A 71 8.617 -0.184 4.985 1.00 0.69 O ATOM 1115 CB PHE A 71 6.241 -0.059 2.671 1.00 0.55 C ATOM 1116 CG PHE A 71 4.944 -0.843 2.617 1.00 0.82 C ATOM 1117 CD1 PHE A 71 4.896 -2.140 3.160 1.00 2.07 C ATOM 1118 CD2 PHE A 71 3.792 -0.298 2.022 1.00 1.40 C ATOM 1119 CE1 PHE A 71 3.701 -2.877 3.124 1.00 2.30 C ATOM 1120 CE2 PHE A 71 2.597 -1.040 1.975 1.00 1.54 C ATOM 1121 CZ PHE A 71 2.550 -2.328 2.533 1.00 1.47 C ATOM 0 H PHE A 71 5.612 2.291 3.377 1.00 0.43 H new ATOM 0 HA PHE A 71 6.148 -0.151 4.799 1.00 0.48 H new ATOM 0 HB2 PHE A 71 6.198 0.748 1.939 1.00 0.55 H new ATOM 0 HB3 PHE A 71 7.062 -0.712 2.377 1.00 0.55 H new ATOM 0 HD1 PHE A 71 5.781 -2.570 3.606 1.00 2.07 H new ATOM 0 HD2 PHE A 71 3.825 0.695 1.599 1.00 1.40 H new ATOM 0 HE1 PHE A 71 3.666 -3.868 3.552 1.00 2.30 H new ATOM 0 HE2 PHE A 71 1.717 -0.620 1.510 1.00 1.54 H new ATOM 0 HZ PHE A 71 1.631 -2.895 2.508 1.00 1.47 H new ATOM 1131 N SER A 72 8.721 1.686 3.717 1.00 0.37 N ATOM 1132 CA SER A 72 10.156 1.946 3.883 1.00 0.35 C ATOM 1133 C SER A 72 10.529 3.323 3.318 1.00 0.38 C ATOM 1134 O SER A 72 9.698 3.945 2.653 1.00 0.47 O ATOM 1135 CB SER A 72 10.945 0.858 3.143 1.00 0.39 C ATOM 1136 OG SER A 72 11.739 0.133 4.059 1.00 0.80 O ATOM 0 H SER A 72 8.259 2.369 3.117 1.00 0.37 H new ATOM 0 HA SER A 72 10.399 1.934 4.946 1.00 0.35 H new ATOM 0 HB2 SER A 72 10.259 0.184 2.630 1.00 0.39 H new ATOM 0 HB3 SER A 72 11.577 1.311 2.379 1.00 0.39 H new ATOM 0 HG SER A 72 11.163 -0.278 4.737 1.00 0.80 H new ATOM 1142 N PRO A 73 11.773 3.809 3.506 1.00 0.40 N ATOM 1143 CA PRO A 73 12.282 4.924 2.717 1.00 0.50 C ATOM 1144 C PRO A 73 12.401 4.550 1.227 1.00 0.54 C ATOM 1145 O PRO A 73 12.127 3.427 0.813 1.00 0.53 O ATOM 1146 CB PRO A 73 13.628 5.291 3.356 1.00 0.59 C ATOM 1147 CG PRO A 73 14.115 3.963 3.925 1.00 0.53 C ATOM 1148 CD PRO A 73 12.823 3.287 4.375 1.00 0.44 C ATOM 0 HA PRO A 73 11.608 5.780 2.727 1.00 0.50 H new ATOM 0 HB2 PRO A 73 14.326 5.695 2.622 1.00 0.59 H new ATOM 0 HB3 PRO A 73 13.512 6.045 4.135 1.00 0.59 H new ATOM 0 HG2 PRO A 73 14.640 3.371 3.175 1.00 0.53 H new ATOM 0 HG3 PRO A 73 14.805 4.109 4.756 1.00 0.53 H new ATOM 0 HD2 PRO A 73 12.899 2.203 4.288 1.00 0.44 H new ATOM 0 HD3 PRO A 73 12.610 3.509 5.421 1.00 0.44 H new ATOM 1156 N ASP A 74 12.767 5.550 0.423 1.00 0.69 N ATOM 1157 CA ASP A 74 13.018 5.527 -1.034 1.00 0.85 C ATOM 1158 C ASP A 74 11.730 5.516 -1.879 1.00 0.79 C ATOM 1159 O ASP A 74 11.780 5.642 -3.098 1.00 0.87 O ATOM 1160 CB ASP A 74 13.998 4.406 -1.437 1.00 1.12 C ATOM 1161 CG ASP A 74 15.292 4.413 -0.614 1.00 2.57 C ATOM 1162 OD1 ASP A 74 15.761 5.527 -0.282 1.00 3.10 O ATOM 1163 OD2 ASP A 74 15.804 3.306 -0.334 1.00 4.14 O ATOM 0 H ASP A 74 12.911 6.486 0.802 1.00 0.69 H new ATOM 0 HA ASP A 74 13.506 6.474 -1.265 1.00 0.85 H new ATOM 0 HB2 ASP A 74 13.505 3.441 -1.319 1.00 1.12 H new ATOM 0 HB3 ASP A 74 14.246 4.511 -2.493 1.00 1.12 H new ATOM 1168 N ALA A 75 10.578 5.444 -1.207 1.00 0.81 N ATOM 1169 CA ALA A 75 9.219 5.427 -1.731 1.00 0.98 C ATOM 1170 C ALA A 75 8.864 6.582 -2.679 1.00 1.08 C ATOM 1171 O ALA A 75 8.424 6.342 -3.802 1.00 2.03 O ATOM 1172 CB ALA A 75 8.305 5.421 -0.506 1.00 1.08 C ATOM 0 H ALA A 75 10.579 5.391 -0.188 1.00 0.81 H new ATOM 0 HA ALA A 75 9.099 4.546 -2.362 1.00 0.98 H new ATOM 0 HB1 ALA A 75 7.264 5.408 -0.829 1.00 1.08 H new ATOM 0 HB2 ALA A 75 8.509 4.535 0.096 1.00 1.08 H new ATOM 0 HB3 ALA A 75 8.489 6.315 0.090 1.00 1.08 H new ATOM 1178 N ARG A 76 9.060 7.825 -2.216 1.00 0.59 N ATOM 1179 CA ARG A 76 8.759 9.092 -2.908 1.00 0.52 C ATOM 1180 C ARG A 76 7.260 9.414 -2.986 1.00 0.48 C ATOM 1181 O ARG A 76 6.401 8.686 -2.490 1.00 0.60 O ATOM 1182 CB ARG A 76 9.401 9.164 -4.317 1.00 0.58 C ATOM 1183 CG ARG A 76 10.759 8.458 -4.426 1.00 0.66 C ATOM 1184 CD ARG A 76 11.661 9.063 -5.502 1.00 0.79 C ATOM 1185 NE ARG A 76 12.171 10.371 -5.054 1.00 1.78 N ATOM 1186 CZ ARG A 76 12.643 11.357 -5.798 1.00 2.65 C ATOM 1187 NH1 ARG A 76 12.774 11.244 -7.099 1.00 2.88 N ATOM 1188 NH2 ARG A 76 13.001 12.485 -5.232 1.00 3.85 N ATOM 0 H ARG A 76 9.458 7.985 -1.291 1.00 0.59 H new ATOM 0 HA ARG A 76 9.215 9.860 -2.283 1.00 0.52 H new ATOM 0 HB2 ARG A 76 8.715 8.722 -5.040 1.00 0.58 H new ATOM 0 HB3 ARG A 76 9.525 10.211 -4.595 1.00 0.58 H new ATOM 0 HG2 ARG A 76 11.267 8.509 -3.463 1.00 0.66 H new ATOM 0 HG3 ARG A 76 10.597 7.403 -4.646 1.00 0.66 H new ATOM 0 HD2 ARG A 76 12.493 8.391 -5.711 1.00 0.79 H new ATOM 0 HD3 ARG A 76 11.104 9.179 -6.432 1.00 0.79 H new ATOM 0 HE ARG A 76 12.158 10.536 -4.047 1.00 1.78 H new ATOM 0 HH11 ARG A 76 12.508 10.376 -7.565 1.00 2.88 H new ATOM 0 HH12 ARG A 76 13.141 12.024 -7.644 1.00 2.88 H new ATOM 0 HH21 ARG A 76 12.915 12.599 -4.222 1.00 3.85 H new ATOM 0 HH22 ARG A 76 13.366 13.248 -5.802 1.00 3.85 H new ATOM 1202 N ASP A 77 6.985 10.565 -3.591 1.00 0.49 N ATOM 1203 CA ASP A 77 5.691 11.077 -4.007 1.00 0.48 C ATOM 1204 C ASP A 77 5.177 10.369 -5.274 1.00 0.45 C ATOM 1205 O ASP A 77 5.821 10.375 -6.324 1.00 0.62 O ATOM 1206 CB ASP A 77 5.812 12.601 -4.227 1.00 0.65 C ATOM 1207 CG ASP A 77 6.996 13.051 -5.110 1.00 2.34 C ATOM 1208 OD1 ASP A 77 8.148 12.654 -4.793 1.00 3.44 O ATOM 1209 OD2 ASP A 77 6.754 13.838 -6.050 1.00 3.34 O ATOM 0 H ASP A 77 7.732 11.220 -3.822 1.00 0.49 H new ATOM 0 HA ASP A 77 4.959 10.876 -3.225 1.00 0.48 H new ATOM 0 HB2 ASP A 77 4.887 12.960 -4.678 1.00 0.65 H new ATOM 0 HB3 ASP A 77 5.901 13.085 -3.255 1.00 0.65 H new ATOM 1214 N LEU A 78 4.002 9.749 -5.159 1.00 0.35 N ATOM 1215 CA LEU A 78 3.232 9.173 -6.272 1.00 0.40 C ATOM 1216 C LEU A 78 2.741 10.215 -7.301 1.00 0.36 C ATOM 1217 O LEU A 78 2.648 11.412 -7.029 1.00 0.62 O ATOM 1218 CB LEU A 78 2.020 8.413 -5.699 1.00 0.65 C ATOM 1219 CG LEU A 78 2.395 7.178 -4.855 1.00 0.61 C ATOM 1220 CD1 LEU A 78 1.191 6.652 -4.072 1.00 1.13 C ATOM 1221 CD2 LEU A 78 2.992 6.075 -5.741 1.00 1.39 C ATOM 0 H LEU A 78 3.540 9.628 -4.258 1.00 0.35 H new ATOM 0 HA LEU A 78 3.907 8.507 -6.809 1.00 0.40 H new ATOM 0 HB2 LEU A 78 1.434 9.096 -5.084 1.00 0.65 H new ATOM 0 HB3 LEU A 78 1.380 8.097 -6.523 1.00 0.65 H new ATOM 0 HG LEU A 78 3.151 7.486 -4.133 1.00 0.61 H new ATOM 0 HD11 LEU A 78 1.489 5.782 -3.488 1.00 1.13 H new ATOM 0 HD12 LEU A 78 0.824 7.430 -3.403 1.00 1.13 H new ATOM 0 HD13 LEU A 78 0.400 6.369 -4.767 1.00 1.13 H new ATOM 0 HD21 LEU A 78 3.249 5.213 -5.125 1.00 1.39 H new ATOM 0 HD22 LEU A 78 2.262 5.778 -6.494 1.00 1.39 H new ATOM 0 HD23 LEU A 78 3.889 6.450 -6.234 1.00 1.39 H new ATOM 1233 N SER A 79 2.361 9.732 -8.492 1.00 0.37 N ATOM 1234 CA SER A 79 1.725 10.530 -9.548 1.00 0.40 C ATOM 1235 C SER A 79 0.267 10.859 -9.219 1.00 0.33 C ATOM 1236 O SER A 79 -0.477 10.010 -8.742 1.00 0.35 O ATOM 1237 CB SER A 79 1.775 9.753 -10.871 1.00 0.58 C ATOM 1238 OG SER A 79 1.068 10.424 -11.899 1.00 1.21 O ATOM 0 H SER A 79 2.490 8.755 -8.753 1.00 0.37 H new ATOM 0 HA SER A 79 2.273 11.469 -9.629 1.00 0.40 H new ATOM 0 HB2 SER A 79 2.813 9.615 -11.173 1.00 0.58 H new ATOM 0 HB3 SER A 79 1.351 8.760 -10.726 1.00 0.58 H new ATOM 0 HG SER A 79 1.122 9.903 -12.727 1.00 1.21 H new ATOM 1244 N ALA A 80 -0.201 12.049 -9.610 1.00 0.37 N ATOM 1245 CA ALA A 80 -1.617 12.407 -9.519 1.00 0.41 C ATOM 1246 C ALA A 80 -2.540 11.464 -10.320 1.00 0.43 C ATOM 1247 O ALA A 80 -3.717 11.316 -9.983 1.00 0.58 O ATOM 1248 CB ALA A 80 -1.781 13.850 -10.003 1.00 0.51 C ATOM 0 H ALA A 80 0.389 12.786 -9.996 1.00 0.37 H new ATOM 0 HA ALA A 80 -1.922 12.306 -8.477 1.00 0.41 H new ATOM 0 HB1 ALA A 80 -2.831 14.137 -9.943 1.00 0.51 H new ATOM 0 HB2 ALA A 80 -1.187 14.514 -9.375 1.00 0.51 H new ATOM 0 HB3 ALA A 80 -1.442 13.928 -11.036 1.00 0.51 H new ATOM 1254 N LYS A 81 -2.012 10.823 -11.376 1.00 0.38 N ATOM 1255 CA LYS A 81 -2.721 9.796 -12.152 1.00 0.42 C ATOM 1256 C LYS A 81 -2.868 8.508 -11.343 1.00 0.43 C ATOM 1257 O LYS A 81 -3.961 7.942 -11.276 1.00 0.49 O ATOM 1258 CB LYS A 81 -1.980 9.502 -13.470 1.00 0.46 C ATOM 1259 CG LYS A 81 -1.585 10.719 -14.318 1.00 0.47 C ATOM 1260 CD LYS A 81 -2.726 11.715 -14.543 1.00 1.58 C ATOM 1261 CE LYS A 81 -2.259 12.806 -15.513 1.00 1.93 C ATOM 1262 NZ LYS A 81 -3.193 13.956 -15.552 1.00 3.02 N ATOM 0 H LYS A 81 -1.069 11.007 -11.718 1.00 0.38 H new ATOM 0 HA LYS A 81 -3.715 10.180 -12.383 1.00 0.42 H new ATOM 0 HB2 LYS A 81 -1.075 8.941 -13.235 1.00 0.46 H new ATOM 0 HB3 LYS A 81 -2.609 8.852 -14.078 1.00 0.46 H new ATOM 0 HG2 LYS A 81 -0.756 11.234 -13.832 1.00 0.47 H new ATOM 0 HG3 LYS A 81 -1.222 10.373 -15.286 1.00 0.47 H new ATOM 0 HD2 LYS A 81 -3.598 11.202 -14.947 1.00 1.58 H new ATOM 0 HD3 LYS A 81 -3.029 12.160 -13.595 1.00 1.58 H new ATOM 0 HE2 LYS A 81 -1.269 13.154 -15.217 1.00 1.93 H new ATOM 0 HE3 LYS A 81 -2.163 12.384 -16.513 1.00 1.93 H new ATOM 0 HZ1 LYS A 81 -2.838 14.669 -16.220 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -4.132 13.631 -15.859 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -3.266 14.376 -14.604 1.00 3.02 H new ATOM 1276 N GLU A 82 -1.785 8.127 -10.657 1.00 0.43 N ATOM 1277 CA GLU A 82 -1.741 6.995 -9.748 1.00 0.46 C ATOM 1278 C GLU A 82 -2.775 7.204 -8.645 1.00 0.45 C ATOM 1279 O GLU A 82 -3.650 6.357 -8.492 1.00 0.46 O ATOM 1280 CB GLU A 82 -0.308 6.809 -9.220 1.00 0.53 C ATOM 1281 CG GLU A 82 -0.117 5.537 -8.392 1.00 1.02 C ATOM 1282 CD GLU A 82 -0.504 5.677 -6.912 1.00 2.50 C ATOM 1283 OE1 GLU A 82 -0.865 6.786 -6.468 1.00 3.70 O ATOM 1284 OE2 GLU A 82 -0.402 4.659 -6.208 1.00 3.16 O ATOM 0 H GLU A 82 -0.893 8.617 -10.727 1.00 0.43 H new ATOM 0 HA GLU A 82 -2.001 6.069 -10.260 1.00 0.46 H new ATOM 0 HB2 GLU A 82 0.381 6.789 -10.064 1.00 0.53 H new ATOM 0 HB3 GLU A 82 -0.040 7.672 -8.611 1.00 0.53 H new ATOM 0 HG2 GLU A 82 -0.710 4.737 -8.836 1.00 1.02 H new ATOM 0 HG3 GLU A 82 0.927 5.231 -8.454 1.00 1.02 H new ATOM 1291 N THR A 83 -2.748 8.355 -7.954 1.00 0.51 N ATOM 1292 CA THR A 83 -3.604 8.623 -6.792 1.00 0.45 C ATOM 1293 C THR A 83 -5.090 8.462 -7.134 1.00 0.44 C ATOM 1294 O THR A 83 -5.841 7.856 -6.370 1.00 0.47 O ATOM 1295 CB THR A 83 -3.330 10.029 -6.227 1.00 0.59 C ATOM 1296 OG1 THR A 83 -1.952 10.239 -6.048 1.00 1.63 O ATOM 1297 CG2 THR A 83 -3.975 10.246 -4.859 1.00 1.55 C ATOM 0 H THR A 83 -2.127 9.129 -8.189 1.00 0.51 H new ATOM 0 HA THR A 83 -3.359 7.885 -6.028 1.00 0.45 H new ATOM 0 HB THR A 83 -3.753 10.720 -6.956 1.00 0.59 H new ATOM 0 HG1 THR A 83 -1.802 11.139 -5.690 1.00 1.63 H new ATOM 0 HG21 THR A 83 -3.751 11.253 -4.507 1.00 1.55 H new ATOM 0 HG22 THR A 83 -5.055 10.123 -4.942 1.00 1.55 H new ATOM 0 HG23 THR A 83 -3.580 9.517 -4.151 1.00 1.55 H new ATOM 1305 N LYS A 84 -5.503 8.956 -8.313 1.00 0.47 N ATOM 1306 CA LYS A 84 -6.851 8.781 -8.870 1.00 0.51 C ATOM 1307 C LYS A 84 -7.205 7.308 -9.082 1.00 0.47 C ATOM 1308 O LYS A 84 -8.230 6.853 -8.570 1.00 0.51 O ATOM 1309 CB LYS A 84 -6.975 9.567 -10.183 1.00 0.58 C ATOM 1310 CG LYS A 84 -7.196 11.057 -9.907 1.00 1.43 C ATOM 1311 CD LYS A 84 -7.233 11.859 -11.212 1.00 1.48 C ATOM 1312 CE LYS A 84 -7.720 13.276 -10.904 1.00 2.78 C ATOM 1313 NZ LYS A 84 -7.827 14.098 -12.130 1.00 2.79 N ATOM 0 H LYS A 84 -4.891 9.502 -8.919 1.00 0.47 H new ATOM 0 HA LYS A 84 -7.565 9.172 -8.145 1.00 0.51 H new ATOM 0 HB2 LYS A 84 -6.072 9.433 -10.779 1.00 0.58 H new ATOM 0 HB3 LYS A 84 -7.805 9.174 -10.770 1.00 0.58 H new ATOM 0 HG2 LYS A 84 -8.132 11.195 -9.365 1.00 1.43 H new ATOM 0 HG3 LYS A 84 -6.398 11.434 -9.267 1.00 1.43 H new ATOM 0 HD2 LYS A 84 -6.242 11.890 -11.664 1.00 1.48 H new ATOM 0 HD3 LYS A 84 -7.897 11.379 -11.931 1.00 1.48 H new ATOM 0 HE2 LYS A 84 -8.692 13.228 -10.413 1.00 2.78 H new ATOM 0 HE3 LYS A 84 -7.033 13.753 -10.205 1.00 2.78 H new ATOM 0 HZ1 LYS A 84 -8.160 15.051 -11.881 1.00 2.79 H new ATOM 0 HZ2 LYS A 84 -6.894 14.165 -12.586 1.00 2.79 H new ATOM 0 HZ3 LYS A 84 -8.502 13.656 -12.786 1.00 2.79 H new ATOM 1327 N MET A 85 -6.372 6.569 -9.825 1.00 0.43 N ATOM 1328 CA MET A 85 -6.588 5.133 -10.038 1.00 0.44 C ATOM 1329 C MET A 85 -6.585 4.348 -8.724 1.00 0.46 C ATOM 1330 O MET A 85 -7.403 3.447 -8.560 1.00 0.51 O ATOM 1331 CB MET A 85 -5.536 4.557 -10.997 1.00 0.49 C ATOM 1332 CG MET A 85 -5.786 4.988 -12.443 1.00 1.49 C ATOM 1333 SD MET A 85 -4.630 4.237 -13.618 1.00 2.04 S ATOM 1334 CE MET A 85 -5.322 4.860 -15.171 1.00 2.69 C ATOM 0 H MET A 85 -5.543 6.941 -10.288 1.00 0.43 H new ATOM 0 HA MET A 85 -7.576 5.026 -10.487 1.00 0.44 H new ATOM 0 HB2 MET A 85 -4.544 4.885 -10.687 1.00 0.49 H new ATOM 0 HB3 MET A 85 -5.546 3.469 -10.936 1.00 0.49 H new ATOM 0 HG2 MET A 85 -6.805 4.722 -12.724 1.00 1.49 H new ATOM 0 HG3 MET A 85 -5.710 6.073 -12.511 1.00 1.49 H new ATOM 0 HE1 MET A 85 -4.728 4.492 -16.008 1.00 2.69 H new ATOM 0 HE2 MET A 85 -6.350 4.514 -15.276 1.00 2.69 H new ATOM 0 HE3 MET A 85 -5.305 5.950 -15.166 1.00 2.69 H new ATOM 1344 N LEU A 86 -5.713 4.700 -7.777 1.00 0.53 N ATOM 1345 CA LEU A 86 -5.617 4.052 -6.475 1.00 0.65 C ATOM 1346 C LEU A 86 -6.819 4.289 -5.597 1.00 0.67 C ATOM 1347 O LEU A 86 -7.253 3.353 -4.932 1.00 0.74 O ATOM 1348 CB LEU A 86 -4.385 4.539 -5.709 1.00 0.80 C ATOM 1349 CG LEU A 86 -3.311 3.465 -5.636 1.00 1.11 C ATOM 1350 CD1 LEU A 86 -3.729 2.245 -4.806 1.00 1.86 C ATOM 1351 CD2 LEU A 86 -2.884 3.084 -7.058 1.00 3.30 C ATOM 0 H LEU A 86 -5.042 5.459 -7.900 1.00 0.53 H new ATOM 0 HA LEU A 86 -5.550 2.987 -6.695 1.00 0.65 H new ATOM 0 HB2 LEU A 86 -3.980 5.426 -6.196 1.00 0.80 H new ATOM 0 HB3 LEU A 86 -4.676 4.833 -4.700 1.00 0.80 H new ATOM 0 HG LEU A 86 -2.454 3.878 -5.104 1.00 1.11 H new ATOM 0 HD11 LEU A 86 -2.918 1.517 -4.795 1.00 1.86 H new ATOM 0 HD12 LEU A 86 -3.950 2.558 -3.786 1.00 1.86 H new ATOM 0 HD13 LEU A 86 -4.617 1.792 -5.247 1.00 1.86 H new ATOM 0 HD21 LEU A 86 -2.114 2.314 -7.013 1.00 3.30 H new ATOM 0 HD22 LEU A 86 -3.745 2.704 -7.607 1.00 3.30 H new ATOM 0 HD23 LEU A 86 -2.489 3.963 -7.567 1.00 3.30 H new ATOM 1363 N MET A 87 -7.345 5.513 -5.575 1.00 0.65 N ATOM 1364 CA MET A 87 -8.565 5.779 -4.837 1.00 0.72 C ATOM 1365 C MET A 87 -9.681 4.846 -5.338 1.00 0.68 C ATOM 1366 O MET A 87 -10.302 4.151 -4.539 1.00 0.78 O ATOM 1367 CB MET A 87 -8.935 7.260 -4.981 1.00 0.83 C ATOM 1368 CG MET A 87 -10.214 7.601 -4.208 1.00 1.39 C ATOM 1369 SD MET A 87 -10.876 9.252 -4.547 1.00 1.85 S ATOM 1370 CE MET A 87 -11.570 8.966 -6.200 1.00 2.58 C ATOM 0 H MET A 87 -6.948 6.321 -6.054 1.00 0.65 H new ATOM 0 HA MET A 87 -8.421 5.578 -3.775 1.00 0.72 H new ATOM 0 HB2 MET A 87 -8.114 7.878 -4.617 1.00 0.83 H new ATOM 0 HB3 MET A 87 -9.072 7.500 -6.035 1.00 0.83 H new ATOM 0 HG2 MET A 87 -10.977 6.861 -4.448 1.00 1.39 H new ATOM 0 HG3 MET A 87 -10.012 7.516 -3.140 1.00 1.39 H new ATOM 0 HE1 MET A 87 -11.156 9.692 -6.899 1.00 2.58 H new ATOM 0 HE2 MET A 87 -11.318 7.959 -6.531 1.00 2.58 H new ATOM 0 HE3 MET A 87 -12.654 9.075 -6.163 1.00 2.58 H new ATOM 1380 N ALA A 88 -9.891 4.798 -6.661 1.00 0.58 N ATOM 1381 CA ALA A 88 -10.909 3.969 -7.303 1.00 0.58 C ATOM 1382 C ALA A 88 -10.670 2.454 -7.151 1.00 0.52 C ATOM 1383 O ALA A 88 -11.593 1.728 -6.798 1.00 0.58 O ATOM 1384 CB ALA A 88 -10.988 4.370 -8.781 1.00 0.63 C ATOM 0 H ALA A 88 -9.344 5.347 -7.324 1.00 0.58 H new ATOM 0 HA ALA A 88 -11.858 4.152 -6.798 1.00 0.58 H new ATOM 0 HB1 ALA A 88 -11.742 3.764 -9.283 1.00 0.63 H new ATOM 0 HB2 ALA A 88 -11.258 5.423 -8.858 1.00 0.63 H new ATOM 0 HB3 ALA A 88 -10.019 4.208 -9.254 1.00 0.63 H new ATOM 1390 N ALA A 89 -9.460 1.962 -7.446 1.00 0.47 N ATOM 1391 CA ALA A 89 -9.120 0.543 -7.371 1.00 0.47 C ATOM 1392 C ALA A 89 -8.971 0.063 -5.921 1.00 0.46 C ATOM 1393 O ALA A 89 -9.541 -0.963 -5.558 1.00 0.65 O ATOM 1394 CB ALA A 89 -7.828 0.291 -8.161 1.00 0.60 C ATOM 0 H ALA A 89 -8.682 2.549 -7.747 1.00 0.47 H new ATOM 0 HA ALA A 89 -9.937 -0.029 -7.810 1.00 0.47 H new ATOM 0 HB1 ALA A 89 -7.570 -0.767 -8.108 1.00 0.60 H new ATOM 0 HB2 ALA A 89 -7.977 0.577 -9.202 1.00 0.60 H new ATOM 0 HB3 ALA A 89 -7.019 0.884 -7.734 1.00 0.60 H new ATOM 1400 N GLY A 90 -8.192 0.792 -5.114 1.00 0.40 N ATOM 1401 CA GLY A 90 -7.834 0.480 -3.735 1.00 0.46 C ATOM 1402 C GLY A 90 -9.052 0.283 -2.839 1.00 0.40 C ATOM 1403 O GLY A 90 -9.144 -0.713 -2.120 1.00 0.51 O ATOM 0 H GLY A 90 -7.772 1.666 -5.429 1.00 0.40 H new ATOM 0 HA2 GLY A 90 -7.226 -0.424 -3.718 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -7.219 1.285 -3.333 1.00 0.46 H new ATOM 1407 N ASP A 91 -10.000 1.224 -2.898 1.00 0.36 N ATOM 1408 CA ASP A 91 -11.334 1.060 -2.330 1.00 0.38 C ATOM 1409 C ASP A 91 -12.157 0.045 -3.152 1.00 0.42 C ATOM 1410 O ASP A 91 -13.118 0.382 -3.840 1.00 0.52 O ATOM 1411 CB ASP A 91 -12.019 2.417 -2.224 1.00 0.49 C ATOM 1412 CG ASP A 91 -13.450 2.253 -1.728 1.00 0.70 C ATOM 1413 OD1 ASP A 91 -13.693 1.569 -0.702 1.00 0.75 O ATOM 1414 OD2 ASP A 91 -14.343 2.824 -2.377 1.00 1.19 O ATOM 0 H ASP A 91 -9.857 2.129 -3.347 1.00 0.36 H new ATOM 0 HA ASP A 91 -11.253 0.652 -1.323 1.00 0.38 H new ATOM 0 HB2 ASP A 91 -11.463 3.060 -1.542 1.00 0.49 H new ATOM 0 HB3 ASP A 91 -12.019 2.908 -3.197 1.00 0.49 H new ATOM 1419 N LYS A 92 -11.810 -1.239 -3.040 1.00 0.58 N ATOM 1420 CA LYS A 92 -12.531 -2.353 -3.676 1.00 0.78 C ATOM 1421 C LYS A 92 -13.993 -2.522 -3.219 1.00 0.73 C ATOM 1422 O LYS A 92 -14.718 -3.324 -3.802 1.00 1.03 O ATOM 1423 CB LYS A 92 -11.742 -3.649 -3.424 1.00 1.06 C ATOM 1424 CG LYS A 92 -10.971 -4.160 -4.652 1.00 1.78 C ATOM 1425 CD LYS A 92 -11.910 -4.592 -5.793 1.00 2.52 C ATOM 1426 CE LYS A 92 -11.194 -5.509 -6.787 1.00 3.37 C ATOM 1427 NZ LYS A 92 -12.132 -6.027 -7.809 1.00 3.95 N ATOM 0 H LYS A 92 -11.004 -1.544 -2.494 1.00 0.58 H new ATOM 0 HA LYS A 92 -12.596 -2.121 -4.739 1.00 0.78 H new ATOM 0 HB2 LYS A 92 -11.037 -3.481 -2.609 1.00 1.06 H new ATOM 0 HB3 LYS A 92 -12.433 -4.424 -3.093 1.00 1.06 H new ATOM 0 HG2 LYS A 92 -10.303 -3.377 -5.011 1.00 1.78 H new ATOM 0 HG3 LYS A 92 -10.345 -5.003 -4.360 1.00 1.78 H new ATOM 0 HD2 LYS A 92 -12.776 -5.108 -5.378 1.00 2.52 H new ATOM 0 HD3 LYS A 92 -12.283 -3.710 -6.313 1.00 2.52 H new ATOM 0 HE2 LYS A 92 -10.387 -4.962 -7.274 1.00 3.37 H new ATOM 0 HE3 LYS A 92 -10.737 -6.342 -6.253 1.00 3.37 H new ATOM 0 HZ1 LYS A 92 -11.806 -6.958 -8.139 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 -13.081 -6.120 -7.394 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 -12.169 -5.368 -8.612 1.00 3.95 H new ATOM 1441 N ASP A 93 -14.402 -1.795 -2.177 1.00 0.50 N ATOM 1442 CA ASP A 93 -15.645 -1.955 -1.416 1.00 0.64 C ATOM 1443 C ASP A 93 -16.642 -0.791 -1.601 1.00 0.66 C ATOM 1444 O ASP A 93 -17.843 -1.001 -1.453 1.00 0.85 O ATOM 1445 CB ASP A 93 -15.197 -2.103 0.041 1.00 0.94 C ATOM 1446 CG ASP A 93 -16.301 -2.235 1.081 1.00 0.80 C ATOM 1447 OD1 ASP A 93 -17.145 -3.144 0.948 1.00 1.41 O ATOM 1448 OD2 ASP A 93 -16.187 -1.451 2.050 1.00 1.15 O ATOM 0 H ASP A 93 -13.836 -1.027 -1.817 1.00 0.50 H new ATOM 0 HA ASP A 93 -16.204 -2.822 -1.769 1.00 0.64 H new ATOM 0 HB2 ASP A 93 -14.554 -2.980 0.113 1.00 0.94 H new ATOM 0 HB3 ASP A 93 -14.586 -1.238 0.300 1.00 0.94 H new ATOM 1453 N GLY A 94 -16.183 0.415 -1.969 1.00 0.65 N ATOM 1454 CA GLY A 94 -17.049 1.554 -2.292 1.00 0.81 C ATOM 1455 C GLY A 94 -17.183 2.639 -1.207 1.00 0.82 C ATOM 1456 O GLY A 94 -18.145 3.402 -1.264 1.00 1.06 O ATOM 0 H GLY A 94 -15.189 0.627 -2.051 1.00 0.65 H new ATOM 0 HA2 GLY A 94 -16.672 2.024 -3.201 1.00 0.81 H new ATOM 0 HA3 GLY A 94 -18.045 1.173 -2.520 1.00 0.81 H new ATOM 1460 N ASP A 95 -16.259 2.744 -0.235 1.00 0.63 N ATOM 1461 CA ASP A 95 -16.245 3.884 0.719 1.00 0.66 C ATOM 1462 C ASP A 95 -15.553 5.152 0.175 1.00 0.64 C ATOM 1463 O ASP A 95 -15.712 6.244 0.718 1.00 0.88 O ATOM 1464 CB ASP A 95 -15.443 3.551 1.985 1.00 0.80 C ATOM 1465 CG ASP A 95 -15.996 2.421 2.832 1.00 0.95 C ATOM 1466 OD1 ASP A 95 -17.165 2.493 3.254 1.00 1.76 O ATOM 1467 OD2 ASP A 95 -15.168 1.508 3.076 1.00 1.06 O ATOM 0 H ASP A 95 -15.515 2.063 -0.084 1.00 0.63 H new ATOM 0 HA ASP A 95 -17.304 4.063 0.906 1.00 0.66 H new ATOM 0 HB2 ASP A 95 -14.424 3.297 1.692 1.00 0.80 H new ATOM 0 HB3 ASP A 95 -15.383 4.448 2.602 1.00 0.80 H new ATOM 1472 N GLY A 96 -14.680 4.974 -0.814 1.00 0.58 N ATOM 1473 CA GLY A 96 -13.642 5.876 -1.301 1.00 0.65 C ATOM 1474 C GLY A 96 -12.292 5.800 -0.571 1.00 0.55 C ATOM 1475 O GLY A 96 -11.323 6.360 -1.080 1.00 0.89 O ATOM 0 H GLY A 96 -14.684 4.105 -1.348 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -13.474 5.669 -2.358 1.00 0.65 H new ATOM 0 HA3 GLY A 96 -14.014 6.898 -1.232 1.00 0.65 H new ATOM 1479 N LYS A 97 -12.183 5.104 0.573 1.00 0.33 N ATOM 1480 CA LYS A 97 -10.927 4.884 1.301 1.00 0.31 C ATOM 1481 C LYS A 97 -10.503 3.410 1.350 1.00 0.32 C ATOM 1482 O LYS A 97 -11.343 2.505 1.439 1.00 0.38 O ATOM 1483 CB LYS A 97 -11.083 5.436 2.716 1.00 0.50 C ATOM 1484 CG LYS A 97 -11.306 6.955 2.696 1.00 0.68 C ATOM 1485 CD LYS A 97 -11.358 7.463 4.131 1.00 1.46 C ATOM 1486 CE LYS A 97 -11.328 8.991 4.181 1.00 2.64 C ATOM 1487 NZ LYS A 97 -12.252 9.546 5.190 1.00 3.11 N ATOM 0 H LYS A 97 -12.987 4.669 1.026 1.00 0.33 H new ATOM 0 HA LYS A 97 -10.135 5.406 0.763 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -11.924 4.948 3.209 1.00 0.50 H new ATOM 0 HB3 LYS A 97 -10.193 5.204 3.300 1.00 0.50 H new ATOM 0 HG2 LYS A 97 -10.501 7.447 2.150 1.00 0.68 H new ATOM 0 HG3 LYS A 97 -12.235 7.193 2.178 1.00 0.68 H new ATOM 0 HD2 LYS A 97 -12.264 7.099 4.615 1.00 1.46 H new ATOM 0 HD3 LYS A 97 -10.514 7.062 4.692 1.00 1.46 H new ATOM 0 HE2 LYS A 97 -10.314 9.323 4.401 1.00 2.64 H new ATOM 0 HE3 LYS A 97 -11.587 9.388 3.199 1.00 2.64 H new ATOM 0 HZ1 LYS A 97 -12.192 10.584 5.182 1.00 3.11 H new ATOM 0 HZ2 LYS A 97 -13.225 9.254 4.968 1.00 3.11 H new ATOM 0 HZ3 LYS A 97 -11.991 9.191 6.132 1.00 3.11 H new ATOM 1501 N ILE A 98 -9.179 3.195 1.375 1.00 0.31 N ATOM 1502 CA ILE A 98 -8.555 1.868 1.506 1.00 0.31 C ATOM 1503 C ILE A 98 -8.736 1.437 2.953 1.00 0.31 C ATOM 1504 O ILE A 98 -8.344 2.165 3.873 1.00 0.33 O ATOM 1505 CB ILE A 98 -7.059 1.862 1.073 1.00 0.32 C ATOM 1506 CG1 ILE A 98 -7.017 2.157 -0.443 1.00 0.42 C ATOM 1507 CG2 ILE A 98 -6.266 0.571 1.429 1.00 0.33 C ATOM 1508 CD1 ILE A 98 -5.639 2.098 -1.105 1.00 0.33 C ATOM 0 H ILE A 98 -8.499 3.952 1.303 1.00 0.31 H new ATOM 0 HA ILE A 98 -9.037 1.160 0.832 1.00 0.31 H new ATOM 0 HB ILE A 98 -6.545 2.632 1.648 1.00 0.32 H new ATOM 0 HG12 ILE A 98 -7.671 1.446 -0.949 1.00 0.42 H new ATOM 0 HG13 ILE A 98 -7.435 3.149 -0.611 1.00 0.42 H new ATOM 0 HG21 ILE A 98 -5.237 0.670 1.084 1.00 0.33 H new ATOM 0 HG22 ILE A 98 -6.275 0.425 2.509 1.00 0.33 H new ATOM 0 HG23 ILE A 98 -6.731 -0.287 0.943 1.00 0.33 H new ATOM 0 HD11 ILE A 98 -5.736 2.322 -2.167 1.00 0.33 H new ATOM 0 HD12 ILE A 98 -4.980 2.830 -0.638 1.00 0.33 H new ATOM 0 HD13 ILE A 98 -5.219 1.100 -0.982 1.00 0.33 H new ATOM 1520 N GLY A 99 -9.341 0.261 3.125 1.00 0.33 N ATOM 1521 CA GLY A 99 -9.347 -0.490 4.372 1.00 0.35 C ATOM 1522 C GLY A 99 -8.526 -1.773 4.231 1.00 0.34 C ATOM 1523 O GLY A 99 -8.346 -2.310 3.139 1.00 0.40 O ATOM 0 H GLY A 99 -9.854 -0.205 2.376 1.00 0.33 H new ATOM 0 HA2 GLY A 99 -8.938 0.124 5.175 1.00 0.35 H new ATOM 0 HA3 GLY A 99 -10.372 -0.736 4.650 1.00 0.35 H new ATOM 1527 N VAL A 100 -8.019 -2.262 5.361 1.00 0.34 N ATOM 1528 CA VAL A 100 -7.098 -3.399 5.477 1.00 0.38 C ATOM 1529 C VAL A 100 -7.527 -4.685 4.755 1.00 0.37 C ATOM 1530 O VAL A 100 -6.729 -5.273 4.024 1.00 0.46 O ATOM 1531 CB VAL A 100 -6.810 -3.641 6.968 1.00 0.47 C ATOM 1532 CG1 VAL A 100 -8.018 -3.990 7.853 1.00 0.48 C ATOM 1533 CG2 VAL A 100 -5.735 -4.705 7.133 1.00 0.65 C ATOM 0 H VAL A 100 -8.249 -1.858 6.269 1.00 0.34 H new ATOM 0 HA VAL A 100 -6.188 -3.121 4.945 1.00 0.38 H new ATOM 0 HB VAL A 100 -6.473 -2.669 7.329 1.00 0.47 H new ATOM 0 HG11 VAL A 100 -7.686 -4.137 8.881 1.00 0.48 H new ATOM 0 HG12 VAL A 100 -8.742 -3.176 7.818 1.00 0.48 H new ATOM 0 HG13 VAL A 100 -8.484 -4.905 7.488 1.00 0.48 H new ATOM 0 HG21 VAL A 100 -5.542 -4.866 8.194 1.00 0.65 H new ATOM 0 HG22 VAL A 100 -6.073 -5.637 6.681 1.00 0.65 H new ATOM 0 HG23 VAL A 100 -4.819 -4.376 6.643 1.00 0.65 H new ATOM 1543 N ASP A 101 -8.772 -5.122 4.955 1.00 0.36 N ATOM 1544 CA ASP A 101 -9.304 -6.373 4.407 1.00 0.44 C ATOM 1545 C ASP A 101 -9.413 -6.320 2.874 1.00 0.46 C ATOM 1546 O ASP A 101 -9.059 -7.273 2.168 1.00 0.55 O ATOM 1547 CB ASP A 101 -10.661 -6.642 5.069 1.00 0.51 C ATOM 1548 CG ASP A 101 -11.103 -8.087 4.850 1.00 0.98 C ATOM 1549 OD1 ASP A 101 -10.522 -8.959 5.533 1.00 1.91 O ATOM 1550 OD2 ASP A 101 -12.003 -8.296 4.009 1.00 2.40 O ATOM 0 H ASP A 101 -9.453 -4.607 5.513 1.00 0.36 H new ATOM 0 HA ASP A 101 -8.621 -7.194 4.627 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -10.595 -6.437 6.137 1.00 0.51 H new ATOM 0 HB3 ASP A 101 -11.410 -5.964 4.660 1.00 0.51 H new ATOM 1555 N GLU A 102 -9.803 -5.151 2.349 1.00 0.44 N ATOM 1556 CA GLU A 102 -9.717 -4.849 0.923 1.00 0.53 C ATOM 1557 C GLU A 102 -8.264 -4.851 0.473 1.00 0.59 C ATOM 1558 O GLU A 102 -7.934 -5.546 -0.475 1.00 0.75 O ATOM 1559 CB GLU A 102 -10.325 -3.483 0.595 1.00 0.58 C ATOM 1560 CG GLU A 102 -11.788 -3.356 1.012 1.00 0.72 C ATOM 1561 CD GLU A 102 -11.971 -2.099 1.855 1.00 0.77 C ATOM 1562 OE1 GLU A 102 -11.840 -2.149 3.093 1.00 1.98 O ATOM 1563 OE2 GLU A 102 -12.281 -1.027 1.281 1.00 0.87 O ATOM 0 H GLU A 102 -10.188 -4.389 2.907 1.00 0.44 H new ATOM 0 HA GLU A 102 -10.280 -5.620 0.397 1.00 0.53 H new ATOM 0 HB2 GLU A 102 -9.744 -2.706 1.092 1.00 0.58 H new ATOM 0 HB3 GLU A 102 -10.244 -3.305 -0.477 1.00 0.58 H new ATOM 0 HG2 GLU A 102 -12.426 -3.310 0.129 1.00 0.72 H new ATOM 0 HG3 GLU A 102 -12.093 -4.235 1.580 1.00 0.72 H new ATOM 1570 N PHE A 103 -7.378 -4.109 1.146 1.00 0.57 N ATOM 1571 CA PHE A 103 -5.977 -3.959 0.742 1.00 0.71 C ATOM 1572 C PHE A 103 -5.256 -5.309 0.588 1.00 0.63 C ATOM 1573 O PHE A 103 -4.484 -5.489 -0.349 1.00 0.71 O ATOM 1574 CB PHE A 103 -5.274 -3.037 1.750 1.00 0.89 C ATOM 1575 CG PHE A 103 -4.072 -2.272 1.227 1.00 0.75 C ATOM 1576 CD1 PHE A 103 -4.165 -1.541 0.026 1.00 1.77 C ATOM 1577 CD2 PHE A 103 -2.906 -2.176 2.007 1.00 2.46 C ATOM 1578 CE1 PHE A 103 -3.106 -0.717 -0.387 1.00 2.20 C ATOM 1579 CE2 PHE A 103 -1.843 -1.361 1.586 1.00 2.64 C ATOM 1580 CZ PHE A 103 -1.939 -0.631 0.388 1.00 1.79 C ATOM 0 H PHE A 103 -7.615 -3.592 1.993 1.00 0.57 H new ATOM 0 HA PHE A 103 -5.942 -3.506 -0.249 1.00 0.71 H new ATOM 0 HB2 PHE A 103 -6.003 -2.318 2.124 1.00 0.89 H new ATOM 0 HB3 PHE A 103 -4.955 -3.639 2.601 1.00 0.89 H new ATOM 0 HD1 PHE A 103 -5.056 -1.615 -0.580 1.00 1.77 H new ATOM 0 HD2 PHE A 103 -2.828 -2.730 2.931 1.00 2.46 H new ATOM 0 HE1 PHE A 103 -3.189 -0.149 -1.302 1.00 2.20 H new ATOM 0 HE2 PHE A 103 -0.947 -1.294 2.185 1.00 2.64 H new ATOM 0 HZ PHE A 103 -1.119 -0.007 0.066 1.00 1.79 H new ATOM 1590 N SER A 104 -5.582 -6.274 1.456 1.00 0.51 N ATOM 1591 CA SER A 104 -5.129 -7.669 1.406 1.00 0.51 C ATOM 1592 C SER A 104 -5.588 -8.450 0.162 1.00 0.52 C ATOM 1593 O SER A 104 -4.894 -9.357 -0.297 1.00 0.72 O ATOM 1594 CB SER A 104 -5.663 -8.364 2.661 1.00 0.54 C ATOM 1595 OG SER A 104 -5.076 -9.636 2.829 1.00 0.96 O ATOM 0 H SER A 104 -6.198 -6.095 2.249 1.00 0.51 H new ATOM 0 HA SER A 104 -4.040 -7.656 1.354 1.00 0.51 H new ATOM 0 HB2 SER A 104 -5.458 -7.748 3.536 1.00 0.54 H new ATOM 0 HB3 SER A 104 -6.746 -8.467 2.590 1.00 0.54 H new ATOM 0 HG SER A 104 -5.434 -10.057 3.639 1.00 0.96 H new ATOM 1601 N THR A 105 -6.752 -8.107 -0.399 1.00 0.61 N ATOM 1602 CA THR A 105 -7.499 -8.927 -1.366 1.00 0.66 C ATOM 1603 C THR A 105 -7.628 -8.270 -2.745 1.00 0.69 C ATOM 1604 O THR A 105 -7.580 -8.966 -3.759 1.00 0.73 O ATOM 1605 CB THR A 105 -8.870 -9.286 -0.773 1.00 0.71 C ATOM 1606 OG1 THR A 105 -9.560 -8.143 -0.311 1.00 0.73 O ATOM 1607 CG2 THR A 105 -8.714 -10.259 0.394 1.00 0.65 C ATOM 0 H THR A 105 -7.217 -7.224 -0.188 1.00 0.61 H new ATOM 0 HA THR A 105 -6.930 -9.840 -1.540 1.00 0.66 H new ATOM 0 HB THR A 105 -9.446 -9.748 -1.575 1.00 0.71 H new ATOM 0 HG1 THR A 105 -9.444 -8.060 0.659 1.00 0.73 H new ATOM 0 HG21 THR A 105 -9.696 -10.501 0.800 1.00 0.65 H new ATOM 0 HG22 THR A 105 -8.231 -11.172 0.045 1.00 0.65 H new ATOM 0 HG23 THR A 105 -8.103 -9.800 1.171 1.00 0.65 H new ATOM 1615 N LEU A 106 -7.609 -6.934 -2.786 1.00 0.68 N ATOM 1616 CA LEU A 106 -7.327 -6.006 -3.894 1.00 0.78 C ATOM 1617 C LEU A 106 -6.290 -6.544 -4.888 1.00 0.75 C ATOM 1618 O LEU A 106 -6.393 -6.367 -6.099 1.00 0.93 O ATOM 1619 CB LEU A 106 -6.797 -4.715 -3.226 1.00 0.86 C ATOM 1620 CG LEU A 106 -6.184 -3.644 -4.145 1.00 1.44 C ATOM 1621 CD1 LEU A 106 -7.266 -3.004 -5.005 1.00 1.52 C ATOM 1622 CD2 LEU A 106 -5.498 -2.571 -3.297 1.00 3.51 C ATOM 0 H LEU A 106 -7.817 -6.409 -1.937 1.00 0.68 H new ATOM 0 HA LEU A 106 -8.232 -5.846 -4.480 1.00 0.78 H new ATOM 0 HB2 LEU A 106 -7.620 -4.257 -2.677 1.00 0.86 H new ATOM 0 HB3 LEU A 106 -6.044 -5.000 -2.492 1.00 0.86 H new ATOM 0 HG LEU A 106 -5.450 -4.117 -4.797 1.00 1.44 H new ATOM 0 HD11 LEU A 106 -6.818 -2.248 -5.650 1.00 1.52 H new ATOM 0 HD12 LEU A 106 -7.743 -3.769 -5.618 1.00 1.52 H new ATOM 0 HD13 LEU A 106 -8.012 -2.537 -4.363 1.00 1.52 H new ATOM 0 HD21 LEU A 106 -5.064 -1.813 -3.950 1.00 3.51 H new ATOM 0 HD22 LEU A 106 -6.230 -2.106 -2.637 1.00 3.51 H new ATOM 0 HD23 LEU A 106 -4.710 -3.029 -2.699 1.00 3.51 H new ATOM 1634 N VAL A 107 -5.256 -7.166 -4.335 1.00 0.61 N ATOM 1635 CA VAL A 107 -4.045 -7.634 -5.005 1.00 0.64 C ATOM 1636 C VAL A 107 -4.046 -9.126 -5.348 1.00 0.67 C ATOM 1637 O VAL A 107 -3.192 -9.592 -6.102 1.00 0.75 O ATOM 1638 CB VAL A 107 -2.868 -7.315 -4.087 1.00 0.62 C ATOM 1639 CG1 VAL A 107 -2.711 -5.789 -3.987 1.00 0.72 C ATOM 1640 CG2 VAL A 107 -3.049 -7.957 -2.696 1.00 0.70 C ATOM 0 H VAL A 107 -5.239 -7.372 -3.336 1.00 0.61 H new ATOM 0 HA VAL A 107 -3.978 -7.123 -5.965 1.00 0.64 H new ATOM 0 HB VAL A 107 -1.958 -7.740 -4.510 1.00 0.62 H new ATOM 0 HG11 VAL A 107 -1.872 -5.552 -3.333 1.00 0.72 H new ATOM 0 HG12 VAL A 107 -2.526 -5.377 -4.979 1.00 0.72 H new ATOM 0 HG13 VAL A 107 -3.624 -5.355 -3.578 1.00 0.72 H new ATOM 0 HG21 VAL A 107 -2.193 -7.710 -2.067 1.00 0.70 H new ATOM 0 HG22 VAL A 107 -3.960 -7.576 -2.235 1.00 0.70 H new ATOM 0 HG23 VAL A 107 -3.121 -9.039 -2.802 1.00 0.70 H new ATOM 1650 N ALA A 108 -5.024 -9.869 -4.829 1.00 0.64 N ATOM 1651 CA ALA A 108 -5.432 -11.177 -5.327 1.00 0.82 C ATOM 1652 C ALA A 108 -6.396 -11.013 -6.508 1.00 1.03 C ATOM 1653 O ALA A 108 -6.178 -11.606 -7.561 1.00 1.36 O ATOM 1654 CB ALA A 108 -6.056 -11.965 -4.177 1.00 0.81 C ATOM 0 H ALA A 108 -5.570 -9.564 -4.024 1.00 0.64 H new ATOM 0 HA ALA A 108 -4.570 -11.733 -5.696 1.00 0.82 H new ATOM 0 HB1 ALA A 108 -6.366 -12.947 -4.535 1.00 0.81 H new ATOM 0 HB2 ALA A 108 -5.324 -12.085 -3.378 1.00 0.81 H new ATOM 0 HB3 ALA A 108 -6.924 -11.427 -3.796 1.00 0.81 H new ATOM 1660 N GLU A 109 -7.359 -10.094 -6.371 1.00 0.96 N ATOM 1661 CA GLU A 109 -8.130 -9.518 -7.475 1.00 1.26 C ATOM 1662 C GLU A 109 -7.238 -8.870 -8.550 1.00 1.53 C ATOM 1663 O GLU A 109 -7.677 -8.719 -9.686 1.00 1.87 O ATOM 1664 CB GLU A 109 -9.113 -8.485 -6.899 1.00 1.41 C ATOM 1665 CG GLU A 109 -10.383 -9.143 -6.347 1.00 1.27 C ATOM 1666 CD GLU A 109 -11.307 -9.555 -7.495 1.00 1.79 C ATOM 1667 OE1 GLU A 109 -11.910 -8.624 -8.082 1.00 2.79 O ATOM 1668 OE2 GLU A 109 -11.370 -10.766 -7.792 1.00 3.01 O ATOM 0 H GLU A 109 -7.630 -9.721 -5.461 1.00 0.96 H new ATOM 0 HA GLU A 109 -8.669 -10.325 -7.972 1.00 1.26 H new ATOM 0 HB2 GLU A 109 -8.623 -7.922 -6.105 1.00 1.41 H new ATOM 0 HB3 GLU A 109 -9.384 -7.770 -7.676 1.00 1.41 H new ATOM 0 HG2 GLU A 109 -10.119 -10.017 -5.752 1.00 1.27 H new ATOM 0 HG3 GLU A 109 -10.901 -8.450 -5.684 1.00 1.27 H new ATOM 1675 N SER A 110 -5.973 -8.567 -8.216 1.00 1.43 N ATOM 1676 CA SER A 110 -4.876 -8.175 -9.105 1.00 1.64 C ATOM 1677 C SER A 110 -5.332 -7.441 -10.372 1.00 1.96 C ATOM 1678 O SER A 110 -5.070 -6.245 -10.514 1.00 2.41 O ATOM 1679 CB SER A 110 -4.033 -9.411 -9.447 1.00 1.64 C ATOM 1680 OG SER A 110 -4.686 -10.227 -10.395 1.00 1.80 O ATOM 0 H SER A 110 -5.671 -8.593 -7.242 1.00 1.43 H new ATOM 0 HA SER A 110 -4.269 -7.449 -8.564 1.00 1.64 H new ATOM 0 HB2 SER A 110 -3.065 -9.098 -9.838 1.00 1.64 H new ATOM 0 HB3 SER A 110 -3.840 -9.985 -8.541 1.00 1.64 H new ATOM 0 HG SER A 110 -4.127 -11.006 -10.596 1.00 1.80 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.735 0.315 2.060 1.00 0.44 CA HETATM 1688 CA CA A 112 -5.747 7.915 7.801 1.00 0.72 CA