USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 689 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 31 THR OG1 : rot 71:sc= 0.815 USER MOD Set 1.2: A 32 ASN : amide:sc= 0.617 K(o=1.4,f=-1.3) USER MOD Set 2.1: A 27 THR OG1 : rot -82:sc= 1.14 USER MOD Set 2.2: A 50 SER OG : rot -119:sc= 1.14 USER MOD Set 3.1: A 12 SER OG : rot -121:sc= 0.315 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 0.351 USER MOD Set 3.3: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 ASN : amide:sc= 0.743 K(o=0.61,f=-0.19) USER MOD Set 4.2: A 71 ASN :FLIP amide:sc= -0.133 F(o=0.057,f=0.61) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 5 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0095) USER MOD Single : A 17 GLN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -11:sc= 1.11 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 36 THR OG1 : rot 141:sc= 2.16 USER MOD Single : A 41 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 25:sc= 1.04 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 59:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 79 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.1) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -13.491 -11.356 -7.980 1.00 54.25 N ATOM 2 CA MET A -2 -12.417 -12.276 -7.622 1.00 24.12 C ATOM 3 C MET A -2 -11.588 -11.719 -6.469 1.00 52.04 C ATOM 4 O MET A -2 -11.037 -10.623 -6.560 1.00 72.11 O ATOM 5 CB MET A -2 -11.519 -12.540 -8.831 1.00 25.32 C ATOM 6 CG MET A -2 -10.395 -13.524 -8.550 1.00 3.42 C ATOM 7 SD MET A -2 -9.804 -14.349 -10.041 1.00 45.21 S ATOM 8 CE MET A -2 -10.984 -15.689 -10.177 1.00 34.12 C ATOM 0 H1 MET A -2 -14.042 -11.755 -8.766 1.00 54.25 H new ATOM 0 H2 MET A -2 -14.113 -11.212 -7.159 1.00 54.25 H new ATOM 0 H3 MET A -2 -13.084 -10.444 -8.270 1.00 54.25 H new ATOM 0 HA MET A -2 -12.867 -13.216 -7.302 1.00 24.12 H new ATOM 0 HB2 MET A -2 -12.129 -12.922 -9.650 1.00 25.32 H new ATOM 0 HB3 MET A -2 -11.089 -11.596 -9.167 1.00 25.32 H new ATOM 0 HG2 MET A -2 -9.566 -12.997 -8.078 1.00 3.42 H new ATOM 0 HG3 MET A -2 -10.743 -14.273 -7.839 1.00 3.42 H new ATOM 0 HE1 MET A -2 -10.750 -16.292 -11.055 1.00 34.12 H new ATOM 0 HE2 MET A -2 -10.931 -16.312 -9.284 1.00 34.12 H new ATOM 0 HE3 MET A -2 -11.990 -15.280 -10.275 1.00 34.12 H new ATOM 18 N GLY A -1 -11.503 -12.483 -5.384 1.00 1.43 N ATOM 19 CA GLY A -1 -10.738 -12.049 -4.230 1.00 13.04 C ATOM 20 C GLY A -1 -11.038 -12.874 -2.992 1.00 33.14 C ATOM 21 O GLY A -1 -12.197 -13.174 -2.704 1.00 21.25 O ATOM 0 H GLY A -1 -11.950 -13.394 -5.284 1.00 1.43 H new ATOM 0 HA2 GLY A -1 -9.674 -12.114 -4.458 1.00 13.04 H new ATOM 0 HA3 GLY A -1 -10.957 -11.001 -4.026 1.00 13.04 H new ATOM 25 N HIS A 0 -9.992 -13.242 -2.261 1.00 34.31 N ATOM 26 CA HIS A 0 -10.148 -14.038 -1.049 1.00 13.52 C ATOM 27 C HIS A 0 -8.961 -13.838 -0.111 1.00 25.41 C ATOM 28 O HIS A 0 -7.853 -13.532 -0.552 1.00 53.23 O ATOM 29 CB HIS A 0 -10.292 -15.519 -1.400 1.00 25.24 C ATOM 30 CG HIS A 0 -9.017 -16.150 -1.868 1.00 1.03 C ATOM 31 ND1 HIS A 0 -8.559 -16.050 -3.164 1.00 45.34 N ATOM 32 CD2 HIS A 0 -8.100 -16.891 -1.203 1.00 43.03 C ATOM 33 CE1 HIS A 0 -7.417 -16.704 -3.278 1.00 10.13 C ATOM 34 NE2 HIS A 0 -7.116 -17.223 -2.102 1.00 75.12 N ATOM 0 H HIS A 0 -9.027 -13.002 -2.486 1.00 34.31 H new ATOM 0 HA HIS A 0 -11.052 -13.704 -0.539 1.00 13.52 H new ATOM 0 HB2 HIS A 0 -10.655 -16.058 -0.525 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -11.048 -15.628 -2.177 1.00 25.24 H new ATOM 0 HD2 HIS A 0 -8.135 -17.169 -0.160 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -6.830 -16.798 -4.179 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -6.287 -17.780 -1.895 1.00 75.12 H new ATOM 42 N HIS A 1 -9.200 -14.014 1.185 1.00 21.22 N ATOM 43 CA HIS A 1 -8.152 -13.853 2.185 1.00 52.03 C ATOM 44 C HIS A 1 -7.426 -15.173 2.429 1.00 62.11 C ATOM 45 O HIS A 1 -8.038 -16.165 2.828 1.00 54.41 O ATOM 46 CB HIS A 1 -8.742 -13.333 3.496 1.00 31.50 C ATOM 47 CG HIS A 1 -9.533 -12.071 3.338 1.00 2.14 C ATOM 48 ND1 HIS A 1 -8.963 -10.816 3.377 1.00 14.01 N ATOM 49 CD2 HIS A 1 -10.858 -11.875 3.138 1.00 4.13 C ATOM 50 CE1 HIS A 1 -9.902 -9.902 3.209 1.00 32.44 C ATOM 51 NE2 HIS A 1 -11.061 -10.519 3.061 1.00 32.12 N ATOM 0 H HIS A 1 -10.111 -14.268 1.567 1.00 21.22 H new ATOM 0 HA HIS A 1 -7.433 -13.127 1.806 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -9.383 -14.102 3.927 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -7.933 -13.158 4.205 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -11.614 -12.642 3.055 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -9.749 -8.833 3.195 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -11.961 -10.062 2.913 1.00 32.12 H new ATOM 59 N HIS A 2 -6.120 -15.178 2.185 1.00 33.54 N ATOM 60 CA HIS A 2 -5.311 -16.377 2.377 1.00 24.03 C ATOM 61 C HIS A 2 -4.103 -16.082 3.262 1.00 63.52 C ATOM 62 O HIS A 2 -3.310 -15.186 2.969 1.00 4.20 O ATOM 63 CB HIS A 2 -4.847 -16.926 1.028 1.00 32.11 C ATOM 64 CG HIS A 2 -4.138 -18.242 1.129 1.00 2.22 C ATOM 65 ND1 HIS A 2 -4.781 -19.421 1.442 1.00 55.23 N ATOM 66 CD2 HIS A 2 -2.834 -18.562 0.955 1.00 45.43 C ATOM 67 CE1 HIS A 2 -3.903 -20.409 1.458 1.00 2.54 C ATOM 68 NE2 HIS A 2 -2.714 -19.913 1.164 1.00 72.04 N ATOM 0 H HIS A 2 -5.599 -14.366 1.854 1.00 33.54 H new ATOM 0 HA HIS A 2 -5.928 -17.126 2.873 1.00 24.03 H new ATOM 0 HB2 HIS A 2 -5.712 -17.038 0.374 1.00 32.11 H new ATOM 0 HB3 HIS A 2 -4.183 -16.200 0.558 1.00 32.11 H new ATOM 0 HD2 HIS A 2 -2.036 -17.880 0.699 1.00 45.43 H new ATOM 0 HE1 HIS A 2 -4.120 -21.445 1.674 1.00 2.54 H new ATOM 0 HE2 HIS A 2 -1.848 -20.448 1.102 1.00 72.04 H new ATOM 76 N HIS A 3 -3.971 -16.839 4.346 1.00 13.21 N ATOM 77 CA HIS A 3 -2.861 -16.657 5.274 1.00 42.42 C ATOM 78 C HIS A 3 -2.846 -15.238 5.833 1.00 63.20 C ATOM 79 O HIS A 3 -1.841 -14.532 5.737 1.00 2.02 O ATOM 80 CB HIS A 3 -1.532 -16.958 4.578 1.00 1.22 C ATOM 81 CG HIS A 3 -0.422 -17.291 5.526 1.00 65.11 C ATOM 82 ND1 HIS A 3 0.840 -17.659 5.107 1.00 71.31 N ATOM 83 CD2 HIS A 3 -0.387 -17.310 6.879 1.00 41.43 C ATOM 84 CE1 HIS A 3 1.601 -17.889 6.161 1.00 65.21 C ATOM 85 NE2 HIS A 3 0.880 -17.684 7.249 1.00 12.34 N ATOM 0 H HIS A 3 -4.618 -17.584 4.603 1.00 13.21 H new ATOM 0 HA HIS A 3 -2.995 -17.353 6.102 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -1.673 -17.791 3.889 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -1.241 -16.095 3.979 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -1.205 -17.074 7.544 1.00 41.43 H new ATOM 0 HE1 HIS A 3 2.637 -18.193 6.138 1.00 65.21 H new ATOM 0 HE2 HIS A 3 1.211 -17.787 8.208 1.00 12.34 H new ATOM 93 N HIS A 4 -3.966 -14.826 6.417 1.00 40.35 N ATOM 94 CA HIS A 4 -4.082 -13.490 6.992 1.00 22.10 C ATOM 95 C HIS A 4 -5.353 -13.364 7.824 1.00 74.02 C ATOM 96 O HIS A 4 -6.434 -13.766 7.391 1.00 44.32 O ATOM 97 CB HIS A 4 -4.077 -12.434 5.885 1.00 1.30 C ATOM 98 CG HIS A 4 -4.240 -11.034 6.392 1.00 5.31 C ATOM 99 ND1 HIS A 4 -5.167 -10.151 5.881 1.00 64.23 N ATOM 100 CD2 HIS A 4 -3.587 -10.367 7.373 1.00 51.54 C ATOM 101 CE1 HIS A 4 -5.077 -9.000 6.524 1.00 54.22 C ATOM 102 NE2 HIS A 4 -4.126 -9.105 7.435 1.00 4.14 N ATOM 0 H HIS A 4 -4.806 -15.397 6.505 1.00 40.35 H new ATOM 0 HA HIS A 4 -3.225 -13.327 7.645 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -3.141 -12.504 5.331 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -4.881 -12.653 5.182 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -2.791 -10.755 7.991 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -5.679 -8.123 6.337 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -3.839 -8.369 8.080 1.00 4.14 H new ATOM 110 N HIS A 5 -5.217 -12.806 9.023 1.00 60.24 N ATOM 111 CA HIS A 5 -6.356 -12.629 9.918 1.00 11.12 C ATOM 112 C HIS A 5 -5.982 -11.747 11.106 1.00 33.24 C ATOM 113 O HIS A 5 -4.822 -11.362 11.265 1.00 12.22 O ATOM 114 CB HIS A 5 -6.859 -13.986 10.413 1.00 22.12 C ATOM 115 CG HIS A 5 -8.341 -14.037 10.618 1.00 33.15 C ATOM 116 ND1 HIS A 5 -9.247 -13.936 9.584 1.00 43.31 N ATOM 117 CD2 HIS A 5 -9.075 -14.180 11.746 1.00 2.04 C ATOM 118 CE1 HIS A 5 -10.474 -14.014 10.068 1.00 73.02 C ATOM 119 NE2 HIS A 5 -10.397 -14.163 11.378 1.00 44.41 N ATOM 0 H HIS A 5 -4.330 -12.469 9.397 1.00 60.24 H new ATOM 0 HA HIS A 5 -7.152 -12.137 9.359 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -6.573 -14.754 9.694 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -6.362 -14.228 11.353 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -8.691 -14.288 12.750 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -11.385 -13.964 9.490 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -11.191 -14.251 12.013 1.00 44.41 H new ATOM 127 N THR A 6 -6.970 -11.430 11.936 1.00 44.42 N ATOM 128 CA THR A 6 -6.745 -10.593 13.108 1.00 11.22 C ATOM 129 C THR A 6 -5.903 -11.319 14.150 1.00 23.31 C ATOM 130 O THR A 6 -5.597 -12.503 14.001 1.00 44.55 O ATOM 131 CB THR A 6 -8.076 -10.159 13.751 1.00 11.30 C ATOM 132 OG1 THR A 6 -7.832 -9.170 14.758 1.00 25.35 O ATOM 133 CG2 THR A 6 -8.793 -11.350 14.367 1.00 51.53 C ATOM 0 H THR A 6 -7.935 -11.740 11.818 1.00 44.42 H new ATOM 0 HA THR A 6 -6.209 -9.708 12.766 1.00 11.22 H new ATOM 0 HB THR A 6 -8.711 -9.737 12.972 1.00 11.30 H new ATOM 0 HG1 THR A 6 -8.682 -8.897 15.161 1.00 25.35 H new ATOM 0 HG21 THR A 6 -9.730 -11.019 14.815 1.00 51.53 H new ATOM 0 HG22 THR A 6 -9.002 -12.089 13.593 1.00 51.53 H new ATOM 0 HG23 THR A 6 -8.162 -11.797 15.135 1.00 51.53 H new ATOM 141 N LYS A 7 -5.530 -10.604 15.205 1.00 74.22 N ATOM 142 CA LYS A 7 -4.724 -11.182 16.274 1.00 52.34 C ATOM 143 C LYS A 7 -5.447 -12.354 16.928 1.00 44.13 C ATOM 144 O LYS A 7 -6.488 -12.798 16.449 1.00 11.03 O ATOM 145 CB LYS A 7 -4.399 -10.118 17.327 1.00 74.23 C ATOM 146 CG LYS A 7 -3.702 -8.894 16.759 1.00 71.23 C ATOM 147 CD LYS A 7 -2.190 -9.027 16.834 1.00 12.54 C ATOM 148 CE LYS A 7 -1.627 -9.684 15.583 1.00 45.02 C ATOM 149 NZ LYS A 7 -0.176 -9.395 15.410 1.00 71.41 N1+ ATOM 0 H LYS A 7 -5.773 -9.623 15.343 1.00 74.22 H new ATOM 0 HA LYS A 7 -3.795 -11.549 15.837 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -5.323 -9.806 17.814 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -3.767 -10.561 18.097 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -4.004 -8.751 15.722 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -4.018 -8.007 17.308 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.743 -8.041 16.962 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -1.918 -9.616 17.710 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -1.778 -10.762 15.639 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -2.174 -9.330 14.709 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 0.170 -9.860 14.547 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -0.034 -8.368 15.331 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 0.350 -9.755 16.232 1.00 71.41 H new ATOM 163 N GLY A 8 -4.886 -12.851 18.027 1.00 4.54 N ATOM 164 CA GLY A 8 -5.492 -13.967 18.730 1.00 1.12 C ATOM 165 C GLY A 8 -6.955 -13.729 19.045 1.00 12.44 C ATOM 166 O GLY A 8 -7.331 -12.650 19.503 1.00 42.34 O ATOM 0 H GLY A 8 -4.023 -12.501 18.443 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.396 -14.869 18.125 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -4.948 -14.146 19.658 1.00 1.12 H new ATOM 170 N ASN A 9 -7.784 -14.736 18.795 1.00 51.20 N ATOM 171 CA ASN A 9 -9.216 -14.630 19.053 1.00 63.11 C ATOM 172 C ASN A 9 -9.704 -15.797 19.907 1.00 4.24 C ATOM 173 O ASN A 9 -9.587 -16.959 19.516 1.00 20.25 O ATOM 174 CB ASN A 9 -9.991 -14.591 17.735 1.00 62.31 C ATOM 175 CG ASN A 9 -11.450 -14.970 17.910 1.00 62.52 C ATOM 176 OD1 ASN A 9 -11.989 -15.775 17.151 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.095 -14.388 18.914 1.00 54.03 N ATOM 0 H ASN A 9 -7.490 -15.635 18.414 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.393 -13.704 19.600 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -9.927 -13.590 17.309 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.525 -15.271 17.022 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.078 -14.602 19.081 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.607 -13.726 19.518 1.00 54.03 H new ATOM 184 N VAL A 10 -10.250 -15.479 21.077 1.00 11.42 N ATOM 185 CA VAL A 10 -10.756 -16.500 21.987 1.00 24.54 C ATOM 186 C VAL A 10 -12.280 -16.540 21.973 1.00 65.31 C ATOM 187 O VAL A 10 -12.941 -15.521 22.177 1.00 73.33 O ATOM 188 CB VAL A 10 -10.272 -16.256 23.428 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.734 -17.381 24.344 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.758 -16.116 23.465 1.00 42.41 C ATOM 0 H VAL A 10 -10.353 -14.523 21.417 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.367 -17.457 21.639 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.709 -15.324 23.787 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.383 -17.192 25.358 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.823 -17.429 24.340 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.328 -18.328 23.990 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.433 -15.944 24.491 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.299 -17.030 23.087 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.455 -15.274 22.843 1.00 42.41 H new ATOM 200 N THR A 11 -12.834 -17.725 21.734 1.00 10.10 N ATOM 201 CA THR A 11 -14.280 -17.898 21.694 1.00 34.03 C ATOM 202 C THR A 11 -14.731 -18.975 22.674 1.00 20.04 C ATOM 203 O THR A 11 -13.917 -19.557 23.390 1.00 73.43 O ATOM 204 CB THR A 11 -14.761 -18.274 20.279 1.00 22.23 C ATOM 205 OG1 THR A 11 -13.636 -18.528 19.430 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.612 -17.162 19.684 1.00 3.03 C ATOM 0 H THR A 11 -12.302 -18.579 21.565 1.00 10.10 H new ATOM 0 HA THR A 11 -14.722 -16.943 21.979 1.00 34.03 H new ATOM 0 HB THR A 11 -15.369 -19.175 20.353 1.00 22.23 H new ATOM 0 HG1 THR A 11 -13.950 -18.768 18.533 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.940 -17.450 18.685 1.00 3.03 H new ATOM 0 HG22 THR A 11 -16.483 -16.992 20.317 1.00 3.03 H new ATOM 0 HG23 THR A 11 -15.024 -16.247 19.623 1.00 3.03 H new ATOM 214 N SER A 12 -16.035 -19.235 22.701 1.00 72.20 N ATOM 215 CA SER A 12 -16.596 -20.240 23.596 1.00 63.13 C ATOM 216 C SER A 12 -16.736 -21.583 22.886 1.00 64.31 C ATOM 217 O SER A 12 -16.684 -21.658 21.658 1.00 41.10 O ATOM 218 CB SER A 12 -17.957 -19.783 24.121 1.00 31.13 C ATOM 219 OG SER A 12 -18.202 -20.295 25.419 1.00 24.24 O ATOM 0 H SER A 12 -16.722 -18.763 22.113 1.00 72.20 H new ATOM 0 HA SER A 12 -15.913 -20.363 24.437 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.994 -18.694 24.143 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.742 -20.115 23.442 1.00 31.13 H new ATOM 0 HG SER A 12 -19.022 -20.831 25.410 1.00 24.24 H new ATOM 225 N LYS A 13 -16.913 -22.643 23.668 1.00 44.22 N ATOM 226 CA LYS A 13 -17.063 -23.985 23.117 1.00 60.22 C ATOM 227 C LYS A 13 -18.521 -24.430 23.156 1.00 54.30 C ATOM 228 O LYS A 13 -18.894 -25.428 22.539 1.00 2.34 O ATOM 229 CB LYS A 13 -16.194 -24.977 23.893 1.00 51.22 C ATOM 230 CG LYS A 13 -15.723 -26.156 23.058 1.00 2.31 C ATOM 231 CD LYS A 13 -16.654 -27.347 23.202 1.00 13.33 C ATOM 232 CE LYS A 13 -15.910 -28.661 23.017 1.00 53.45 C ATOM 233 NZ LYS A 13 -15.357 -28.796 21.641 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.956 -22.598 24.686 1.00 44.22 H new ATOM 0 HA LYS A 13 -16.737 -23.962 22.077 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.324 -24.453 24.289 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.758 -25.350 24.748 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -15.667 -25.862 22.010 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -14.716 -26.441 23.364 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -17.122 -27.328 24.186 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -17.456 -27.275 22.467 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -15.099 -28.724 23.742 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -16.585 -29.492 23.220 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -14.887 -29.719 21.545 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -16.129 -28.727 20.948 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -14.668 -28.037 21.468 1.00 51.21 H new ATOM 247 N THR A 14 -19.344 -23.682 23.886 1.00 41.41 N ATOM 248 CA THR A 14 -20.761 -24.000 24.005 1.00 75.14 C ATOM 249 C THR A 14 -21.520 -23.612 22.742 1.00 53.42 C ATOM 250 O THR A 14 -22.145 -24.456 22.098 1.00 1.11 O ATOM 251 CB THR A 14 -21.396 -23.285 25.213 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.739 -22.034 25.443 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.308 -24.149 26.461 1.00 0.42 C ATOM 0 H THR A 14 -19.053 -22.852 24.403 1.00 41.41 H new ATOM 0 HA THR A 14 -20.833 -25.078 24.151 1.00 75.14 H new ATOM 0 HB THR A 14 -22.448 -23.106 24.990 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.150 -21.585 26.211 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.763 -23.623 27.300 1.00 0.42 H new ATOM 0 HG22 THR A 14 -21.836 -25.087 26.292 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.262 -24.357 26.687 1.00 0.42 H new ATOM 261 N ASP A 15 -21.462 -22.332 22.391 1.00 13.30 N ATOM 262 CA ASP A 15 -22.144 -21.833 21.203 1.00 3.24 C ATOM 263 C ASP A 15 -21.146 -21.234 20.216 1.00 54.23 C ATOM 264 O ASP A 15 -21.391 -21.204 19.012 1.00 30.21 O ATOM 265 CB ASP A 15 -23.188 -20.784 21.591 1.00 34.54 C ATOM 266 CG ASP A 15 -24.086 -20.406 20.430 1.00 5.42 C ATOM 267 OD1 ASP A 15 -24.367 -21.283 19.586 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.511 -19.234 20.365 1.00 72.52 O1- ATOM 0 H ASP A 15 -20.949 -21.621 22.913 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.645 -22.673 20.722 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.798 -21.168 22.409 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -22.683 -19.892 21.961 1.00 34.54 H new ATOM 273 N GLY A 16 -20.019 -20.758 20.736 1.00 45.50 N ATOM 274 CA GLY A 16 -19.002 -20.166 19.888 1.00 13.14 C ATOM 275 C GLY A 16 -19.001 -18.651 19.954 1.00 50.04 C ATOM 276 O GLY A 16 -18.642 -17.982 18.985 1.00 53.34 O ATOM 0 H GLY A 16 -19.792 -20.772 21.730 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.022 -20.540 20.186 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.164 -20.482 18.857 1.00 13.14 H new ATOM 280 N GLN A 17 -19.404 -18.110 21.099 1.00 15.14 N ATOM 281 CA GLN A 17 -19.451 -16.665 21.285 1.00 71.43 C ATOM 282 C GLN A 17 -18.081 -16.121 21.673 1.00 32.32 C ATOM 283 O GLN A 17 -17.240 -16.828 22.229 1.00 12.20 O ATOM 284 CB GLN A 17 -20.479 -16.300 22.358 1.00 54.31 C ATOM 285 CG GLN A 17 -20.284 -17.050 23.667 1.00 63.40 C ATOM 286 CD GLN A 17 -20.986 -16.382 24.832 1.00 73.24 C ATOM 287 OE1 GLN A 17 -21.947 -16.919 25.383 1.00 3.00 O ATOM 288 NE2 GLN A 17 -20.508 -15.204 25.215 1.00 74.15 N ATOM 0 H GLN A 17 -19.702 -18.650 21.911 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.747 -16.213 20.339 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.426 -15.229 22.551 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -21.479 -16.506 21.976 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -20.658 -18.068 23.557 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -19.218 -17.124 23.884 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -19.709 -14.796 24.730 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -20.940 -14.708 25.995 1.00 74.15 H new ATOM 297 N PRO A 18 -17.846 -14.835 21.373 1.00 51.11 N ATOM 298 CA PRO A 18 -16.577 -14.168 21.681 1.00 61.23 C ATOM 299 C PRO A 18 -16.383 -13.956 23.178 1.00 5.35 C ATOM 300 O PRO A 18 -17.260 -13.420 23.857 1.00 41.13 O ATOM 301 CB PRO A 18 -16.701 -12.822 20.961 1.00 11.54 C ATOM 302 CG PRO A 18 -18.167 -12.578 20.862 1.00 0.34 C ATOM 303 CD PRO A 18 -18.803 -13.933 20.709 1.00 14.12 C ATOM 0 HA PRO A 18 -15.718 -14.759 21.364 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.204 -12.028 21.518 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -16.238 -12.857 19.975 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.539 -12.070 21.752 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.400 -11.939 20.010 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.785 -13.972 21.180 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.942 -14.196 19.660 1.00 14.12 H new ATOM 311 N ILE A 19 -15.230 -14.378 23.686 1.00 51.31 N ATOM 312 CA ILE A 19 -14.921 -14.231 25.103 1.00 72.32 C ATOM 313 C ILE A 19 -14.571 -12.787 25.442 1.00 61.13 C ATOM 314 O ILE A 19 -13.458 -12.330 25.182 1.00 31.30 O ATOM 315 CB ILE A 19 -13.752 -15.144 25.520 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.004 -16.578 25.053 1.00 63.22 C ATOM 317 CG2 ILE A 19 -13.559 -15.098 27.029 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.314 -17.153 25.544 1.00 75.31 C ATOM 0 H ILE A 19 -14.495 -14.824 23.138 1.00 51.31 H new ATOM 0 HA ILE A 19 -15.815 -14.523 25.654 1.00 72.32 H new ATOM 0 HB ILE A 19 -12.840 -14.783 25.044 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -13.991 -16.604 23.963 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.187 -17.212 25.397 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -12.730 -15.748 27.310 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.339 -14.076 27.337 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -14.469 -15.438 27.523 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.425 -18.172 25.174 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.323 -17.160 26.634 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.139 -16.542 25.178 1.00 75.31 H new ATOM 330 N ILE A 20 -15.528 -12.074 26.026 1.00 0.14 N ATOM 331 CA ILE A 20 -15.319 -10.681 26.405 1.00 33.25 C ATOM 332 C ILE A 20 -14.987 -10.559 27.888 1.00 4.43 C ATOM 333 O ILE A 20 -15.592 -11.226 28.728 1.00 31.01 O ATOM 334 CB ILE A 20 -16.559 -9.822 26.095 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.053 -10.094 24.672 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.239 -8.346 26.279 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.311 -9.335 24.315 1.00 42.20 C ATOM 0 H ILE A 20 -16.455 -12.437 26.247 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.478 -10.316 25.816 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.353 -10.091 26.791 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.266 -9.830 23.966 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.238 -11.162 24.558 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.125 -7.751 26.056 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -15.931 -8.166 27.309 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.432 -8.062 25.604 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.604 -9.576 23.293 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.112 -9.617 24.998 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.125 -8.264 24.396 1.00 42.20 H new ATOM 349 N GLY A 21 -14.021 -9.701 28.204 1.00 4.13 N ATOM 350 CA GLY A 21 -13.626 -9.505 29.587 1.00 62.52 C ATOM 351 C GLY A 21 -12.755 -10.632 30.106 1.00 10.52 C ATOM 352 O GLY A 21 -12.822 -10.986 31.283 1.00 13.11 O ATOM 0 H GLY A 21 -13.505 -9.139 27.527 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.087 -8.562 29.678 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.518 -9.423 30.208 1.00 62.52 H new ATOM 356 N ALA A 22 -11.934 -11.197 29.226 1.00 14.24 N ATOM 357 CA ALA A 22 -11.046 -12.289 29.602 1.00 24.05 C ATOM 358 C ALA A 22 -9.704 -11.760 30.097 1.00 13.45 C ATOM 359 O ALA A 22 -9.118 -10.862 29.491 1.00 23.13 O ATOM 360 CB ALA A 22 -10.842 -13.232 28.426 1.00 63.11 C ATOM 0 H ALA A 22 -11.866 -10.916 28.248 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.513 -12.840 30.418 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.176 -14.043 28.721 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.803 -13.645 28.120 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.400 -12.685 27.593 1.00 63.11 H new ATOM 366 N SER A 23 -9.222 -12.320 31.202 1.00 20.43 N ATOM 367 CA SER A 23 -7.951 -11.901 31.780 1.00 45.41 C ATOM 368 C SER A 23 -6.781 -12.548 31.046 1.00 32.33 C ATOM 369 O SER A 23 -6.531 -13.745 31.186 1.00 40.44 O ATOM 370 CB SER A 23 -7.899 -12.262 33.266 1.00 52.44 C ATOM 371 OG SER A 23 -9.097 -11.888 33.925 1.00 21.24 O ATOM 0 H SER A 23 -9.693 -13.065 31.715 1.00 20.43 H new ATOM 0 HA SER A 23 -7.870 -10.819 31.673 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.739 -13.334 33.377 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.051 -11.763 33.735 1.00 52.44 H new ATOM 0 HG SER A 23 -9.039 -12.131 34.873 1.00 21.24 H new ATOM 377 N VAL A 24 -6.065 -11.746 30.264 1.00 70.10 N ATOM 378 CA VAL A 24 -4.920 -12.239 29.508 1.00 11.40 C ATOM 379 C VAL A 24 -3.608 -11.812 30.157 1.00 21.15 C ATOM 380 O VAL A 24 -3.355 -10.622 30.347 1.00 75.44 O ATOM 381 CB VAL A 24 -4.949 -11.734 28.053 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.783 -12.311 27.264 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.274 -12.083 27.394 1.00 64.12 C ATOM 0 H VAL A 24 -6.258 -10.752 30.138 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.985 -13.327 29.508 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.849 -10.649 28.062 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.820 -11.943 26.239 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.844 -12.005 27.726 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.848 -13.399 27.262 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.277 -11.719 26.367 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.407 -13.165 27.396 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -7.089 -11.616 27.947 1.00 64.12 H new ATOM 393 N VAL A 25 -2.776 -12.791 30.496 1.00 54.40 N ATOM 394 CA VAL A 25 -1.489 -12.517 31.123 1.00 74.22 C ATOM 395 C VAL A 25 -0.414 -13.469 30.610 1.00 74.52 C ATOM 396 O VAL A 25 -0.648 -14.669 30.475 1.00 52.34 O ATOM 397 CB VAL A 25 -1.575 -12.635 32.657 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.674 -11.736 33.201 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.806 -14.082 33.067 1.00 31.03 C ATOM 0 H VAL A 25 -2.970 -13.781 30.347 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.220 -11.494 30.860 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.627 -12.307 33.083 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.720 -11.833 34.286 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.460 -10.700 32.938 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.631 -12.030 32.770 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.864 -14.147 34.153 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.739 -14.439 32.631 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.980 -14.698 32.710 1.00 31.03 H new ATOM 409 N GLU A 26 0.765 -12.924 30.327 1.00 60.03 N ATOM 410 CA GLU A 26 1.877 -13.726 29.828 1.00 2.03 C ATOM 411 C GLU A 26 2.473 -14.581 30.942 1.00 74.12 C ATOM 412 O GLU A 26 2.289 -14.297 32.127 1.00 32.34 O ATOM 413 CB GLU A 26 2.956 -12.824 29.228 1.00 54.12 C ATOM 414 CG GLU A 26 4.026 -13.582 28.460 1.00 11.04 C ATOM 415 CD GLU A 26 4.814 -12.689 27.521 1.00 42.11 C ATOM 416 OE1 GLU A 26 5.972 -13.033 27.209 1.00 1.54 O ATOM 417 OE2 GLU A 26 4.273 -11.645 27.100 1.00 73.20 O1- ATOM 0 H GLU A 26 0.975 -11.932 30.434 1.00 60.03 H new ATOM 0 HA GLU A 26 1.495 -14.388 29.051 1.00 2.03 H new ATOM 0 HB2 GLU A 26 2.485 -12.102 28.561 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.429 -12.256 30.029 1.00 54.12 H new ATOM 0 HG2 GLU A 26 4.710 -14.053 29.166 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.558 -14.382 27.887 1.00 11.04 H new ATOM 424 N THR A 27 3.190 -15.632 30.555 1.00 32.44 N ATOM 425 CA THR A 27 3.813 -16.530 31.518 1.00 21.42 C ATOM 426 C THR A 27 4.841 -15.795 32.371 1.00 43.23 C ATOM 427 O THR A 27 4.919 -15.998 33.583 1.00 52.43 O ATOM 428 CB THR A 27 4.499 -17.718 30.818 1.00 43.33 C ATOM 429 OG1 THR A 27 5.367 -17.242 29.784 1.00 43.23 O ATOM 430 CG2 THR A 27 3.466 -18.665 30.224 1.00 11.11 C ATOM 0 H THR A 27 3.353 -15.882 29.580 1.00 32.44 H new ATOM 0 HA THR A 27 3.016 -16.907 32.159 1.00 21.42 H new ATOM 0 HB THR A 27 5.083 -18.262 31.561 1.00 43.33 H new ATOM 0 HG1 THR A 27 4.844 -17.059 28.976 1.00 43.23 H new ATOM 0 HG21 THR A 27 3.973 -19.496 29.735 1.00 11.11 H new ATOM 0 HG22 THR A 27 2.824 -19.048 31.018 1.00 11.11 H new ATOM 0 HG23 THR A 27 2.859 -18.130 29.494 1.00 11.11 H new ATOM 438 N THR A 28 5.629 -14.937 31.730 1.00 30.42 N ATOM 439 CA THR A 28 6.654 -14.171 32.430 1.00 4.41 C ATOM 440 C THR A 28 6.264 -12.701 32.536 1.00 13.12 C ATOM 441 O THR A 28 6.756 -11.981 33.405 1.00 64.00 O ATOM 442 CB THR A 28 8.017 -14.279 31.721 1.00 64.03 C ATOM 443 OG1 THR A 28 7.959 -13.630 30.446 1.00 63.55 O ATOM 444 CG2 THR A 28 8.418 -15.735 31.537 1.00 20.21 C ATOM 0 H THR A 28 5.577 -14.755 30.728 1.00 30.42 H new ATOM 0 HA THR A 28 6.739 -14.595 33.431 1.00 4.41 H new ATOM 0 HB THR A 28 8.765 -13.789 32.344 1.00 64.03 H new ATOM 0 HG1 THR A 28 8.830 -13.702 30.003 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.384 -15.786 31.034 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.490 -16.218 32.511 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.668 -16.246 30.934 1.00 20.21 H new ATOM 452 N ALA A 29 5.378 -12.263 31.649 1.00 21.15 N ATOM 453 CA ALA A 29 4.919 -10.879 31.646 1.00 63.21 C ATOM 454 C ALA A 29 3.446 -10.787 32.028 1.00 61.33 C ATOM 455 O ALA A 29 2.598 -10.453 31.200 1.00 2.51 O ATOM 456 CB ALA A 29 5.153 -10.249 30.281 1.00 62.41 C ATOM 0 H ALA A 29 4.963 -12.846 30.922 1.00 21.15 H new ATOM 0 HA ALA A 29 5.494 -10.330 32.391 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.806 -9.216 30.293 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.217 -10.271 30.048 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.604 -10.808 29.523 1.00 62.41 H new ATOM 462 N THR A 30 3.147 -11.087 33.289 1.00 64.05 N ATOM 463 CA THR A 30 1.776 -11.040 33.780 1.00 52.03 C ATOM 464 C THR A 30 1.379 -9.619 34.168 1.00 44.32 C ATOM 465 O THR A 30 0.232 -9.212 33.986 1.00 33.44 O ATOM 466 CB THR A 30 1.584 -11.964 34.997 1.00 73.01 C ATOM 467 OG1 THR A 30 1.892 -13.316 34.638 1.00 1.52 O ATOM 468 CG2 THR A 30 0.156 -11.886 35.516 1.00 41.22 C ATOM 0 H THR A 30 3.836 -11.365 33.988 1.00 64.05 H new ATOM 0 HA THR A 30 1.137 -11.384 32.967 1.00 52.03 H new ATOM 0 HB THR A 30 2.259 -11.634 35.786 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.980 -13.384 33.664 1.00 1.52 H new ATOM 0 HG21 THR A 30 0.045 -12.547 36.375 1.00 41.22 H new ATOM 0 HG22 THR A 30 -0.067 -10.862 35.815 1.00 41.22 H new ATOM 0 HG23 THR A 30 -0.534 -12.193 34.730 1.00 41.22 H new ATOM 476 N THR A 31 2.336 -8.868 34.704 1.00 20.21 N ATOM 477 CA THR A 31 2.087 -7.493 35.119 1.00 74.23 C ATOM 478 C THR A 31 1.481 -6.679 33.982 1.00 5.21 C ATOM 479 O THR A 31 0.701 -5.755 34.215 1.00 44.33 O ATOM 480 CB THR A 31 3.381 -6.806 35.595 1.00 70.21 C ATOM 481 OG1 THR A 31 4.305 -6.694 34.506 1.00 65.04 O ATOM 482 CG2 THR A 31 4.021 -7.588 36.732 1.00 32.33 C ATOM 0 H THR A 31 3.291 -9.189 34.861 1.00 20.21 H new ATOM 0 HA THR A 31 1.382 -7.535 35.949 1.00 74.23 H new ATOM 0 HB THR A 31 3.126 -5.810 35.958 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.981 -6.023 33.869 1.00 65.04 H new ATOM 0 HG21 THR A 31 4.933 -7.084 37.052 1.00 32.33 H new ATOM 0 HG22 THR A 31 3.326 -7.647 37.570 1.00 32.33 H new ATOM 0 HG23 THR A 31 4.263 -8.594 36.390 1.00 32.33 H new ATOM 490 N ASN A 32 1.843 -7.026 32.752 1.00 33.34 N ATOM 491 CA ASN A 32 1.333 -6.326 31.578 1.00 52.15 C ATOM 492 C ASN A 32 0.116 -7.044 31.002 1.00 70.20 C ATOM 493 O ASN A 32 -0.123 -7.012 29.795 1.00 25.25 O ATOM 494 CB ASN A 32 2.425 -6.213 30.512 1.00 21.20 C ATOM 495 CG ASN A 32 3.800 -5.998 31.114 1.00 12.02 C ATOM 496 OD1 ASN A 32 3.947 -5.318 32.129 1.00 74.30 O ATOM 497 ND2 ASN A 32 4.817 -6.581 30.488 1.00 53.21 N ATOM 0 H ASN A 32 2.488 -7.788 32.542 1.00 33.34 H new ATOM 0 HA ASN A 32 1.030 -5.325 31.886 1.00 52.15 H new ATOM 0 HB2 ASN A 32 2.434 -7.120 29.907 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.191 -5.385 29.842 1.00 21.20 H new ATOM 0 HD21 ASN A 32 5.766 -6.473 30.847 1.00 53.21 H new ATOM 0 HD22 ASN A 32 4.649 -7.136 29.649 1.00 53.21 H new ATOM 504 N GLY A 33 -0.651 -7.691 31.874 1.00 61.22 N ATOM 505 CA GLY A 33 -1.834 -8.406 31.433 1.00 53.12 C ATOM 506 C GLY A 33 -2.883 -7.486 30.844 1.00 52.44 C ATOM 507 O GLY A 33 -3.096 -6.376 31.337 1.00 13.13 O ATOM 0 H GLY A 33 -0.474 -7.733 32.878 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.549 -9.150 30.689 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.263 -8.947 32.276 1.00 53.12 H new ATOM 511 N THR A 34 -3.541 -7.943 29.783 1.00 73.43 N ATOM 512 CA THR A 34 -4.572 -7.152 29.124 1.00 24.51 C ATOM 513 C THR A 34 -5.894 -7.908 29.068 1.00 64.20 C ATOM 514 O THR A 34 -5.948 -9.104 29.354 1.00 40.52 O ATOM 515 CB THR A 34 -4.153 -6.765 27.692 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.077 -5.814 27.151 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.098 -7.992 26.795 1.00 1.21 C ATOM 0 H THR A 34 -3.378 -8.858 29.362 1.00 73.43 H new ATOM 0 HA THR A 34 -4.701 -6.245 29.715 1.00 24.51 H new ATOM 0 HB THR A 34 -3.159 -6.321 27.735 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.803 -5.572 26.242 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.800 -7.695 25.790 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.373 -8.702 27.193 1.00 1.21 H new ATOM 0 HG23 THR A 34 -5.082 -8.460 26.758 1.00 1.21 H new ATOM 525 N ILE A 35 -6.958 -7.202 28.698 1.00 53.35 N ATOM 526 CA ILE A 35 -8.280 -7.809 28.603 1.00 41.13 C ATOM 527 C ILE A 35 -8.704 -7.978 27.149 1.00 31.20 C ATOM 528 O ILE A 35 -8.217 -7.277 26.262 1.00 21.21 O ATOM 529 CB ILE A 35 -9.340 -6.968 29.340 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.305 -5.519 28.850 1.00 3.53 C ATOM 531 CG2 ILE A 35 -9.113 -7.029 30.844 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.634 -4.808 28.970 1.00 62.41 C ATOM 0 H ILE A 35 -6.930 -6.211 28.460 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.212 -8.789 29.076 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.325 -7.382 29.123 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.556 -4.969 29.420 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.987 -5.504 27.807 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.870 -6.430 31.351 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.183 -8.063 31.181 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -8.123 -6.637 31.079 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.534 -3.786 28.604 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.383 -5.334 28.378 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -10.944 -4.791 30.015 1.00 62.41 H new ATOM 544 N THR A 36 -9.619 -8.914 26.910 1.00 11.05 N ATOM 545 CA THR A 36 -10.109 -9.176 25.562 1.00 11.35 C ATOM 546 C THR A 36 -11.190 -8.177 25.167 1.00 20.04 C ATOM 547 O THR A 36 -11.922 -7.670 26.018 1.00 42.14 O ATOM 548 CB THR A 36 -10.675 -10.604 25.438 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.631 -10.843 26.476 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.561 -11.636 25.519 1.00 55.34 C ATOM 0 H THR A 36 -10.035 -9.502 27.632 1.00 11.05 H new ATOM 0 HA THR A 36 -9.258 -9.071 24.890 1.00 11.35 H new ATOM 0 HB THR A 36 -11.163 -10.696 24.468 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.382 -11.359 26.116 1.00 5.11 H new ATOM 0 HG21 THR A 36 -9.984 -12.636 25.429 1.00 55.34 H new ATOM 0 HG22 THR A 36 -8.850 -11.469 24.710 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.048 -11.544 26.477 1.00 55.34 H new ATOM 558 N ASP A 37 -11.287 -7.899 23.872 1.00 12.13 N ATOM 559 CA ASP A 37 -12.281 -6.960 23.364 1.00 12.53 C ATOM 560 C ASP A 37 -13.635 -7.643 23.192 1.00 15.53 C ATOM 561 O ASP A 37 -13.754 -8.857 23.355 1.00 0.31 O ATOM 562 CB ASP A 37 -11.822 -6.370 22.030 1.00 5.44 C ATOM 563 CG ASP A 37 -10.712 -5.351 22.200 1.00 34.54 C ATOM 564 OD1 ASP A 37 -9.878 -5.222 21.280 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.679 -4.680 23.253 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.690 -8.310 23.155 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.389 -6.155 24.091 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.477 -7.174 21.380 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.670 -5.900 21.533 1.00 5.44 H new ATOM 570 N PHE A 38 -14.652 -6.853 22.865 1.00 33.31 N ATOM 571 CA PHE A 38 -15.998 -7.381 22.674 1.00 53.25 C ATOM 572 C PHE A 38 -16.019 -8.428 21.563 1.00 61.41 C ATOM 573 O PHE A 38 -16.821 -9.361 21.590 1.00 72.12 O ATOM 574 CB PHE A 38 -16.971 -6.247 22.341 1.00 35.41 C ATOM 575 CG PHE A 38 -17.295 -5.370 23.516 1.00 23.40 C ATOM 576 CD1 PHE A 38 -18.302 -5.720 24.401 1.00 64.43 C ATOM 577 CD2 PHE A 38 -16.591 -4.197 23.736 1.00 13.51 C ATOM 578 CE1 PHE A 38 -18.602 -4.915 25.484 1.00 20.23 C ATOM 579 CE2 PHE A 38 -16.887 -3.388 24.817 1.00 23.43 C ATOM 580 CZ PHE A 38 -17.894 -3.747 25.692 1.00 34.05 C ATOM 0 H PHE A 38 -14.570 -5.846 22.727 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.310 -7.857 23.603 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.544 -5.634 21.547 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.895 -6.675 21.951 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -18.859 -6.632 24.243 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -15.802 -3.912 23.055 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -19.389 -5.199 26.167 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -16.331 -2.476 24.977 1.00 23.43 H new ATOM 0 HZ PHE A 38 -18.127 -3.116 26.537 1.00 34.05 H new ATOM 590 N ASP A 39 -15.133 -8.263 20.588 1.00 22.51 N ATOM 591 CA ASP A 39 -15.049 -9.193 19.467 1.00 30.24 C ATOM 592 C ASP A 39 -14.405 -10.508 19.898 1.00 3.40 C ATOM 593 O ASP A 39 -14.553 -11.531 19.233 1.00 20.40 O ATOM 594 CB ASP A 39 -14.250 -8.573 18.320 1.00 73.22 C ATOM 595 CG ASP A 39 -14.780 -7.211 17.916 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.014 -7.071 17.779 1.00 51.04 O ATOM 597 OD2 ASP A 39 -13.962 -6.285 17.737 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.463 -7.495 20.550 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.062 -9.400 19.123 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.205 -8.480 18.617 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.278 -9.241 17.459 1.00 73.22 H new ATOM 602 N GLY A 40 -13.689 -10.470 21.018 1.00 73.03 N ATOM 603 CA GLY A 40 -13.032 -11.664 21.519 1.00 73.43 C ATOM 604 C GLY A 40 -11.586 -11.760 21.073 1.00 75.31 C ATOM 605 O GLY A 40 -11.043 -12.856 20.940 1.00 64.34 O ATOM 0 H GLY A 40 -13.552 -9.635 21.587 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.074 -11.668 22.608 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.574 -12.545 21.175 1.00 73.43 H new ATOM 609 N ASN A 41 -10.963 -10.610 20.839 1.00 12.43 N ATOM 610 CA ASN A 41 -9.572 -10.570 20.403 1.00 23.51 C ATOM 611 C ASN A 41 -8.755 -9.624 21.278 1.00 23.24 C ATOM 612 O ASN A 41 -9.287 -8.671 21.848 1.00 21.02 O ATOM 613 CB ASN A 41 -9.487 -10.131 18.941 1.00 52.24 C ATOM 614 CG ASN A 41 -10.428 -8.984 18.625 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.521 -8.017 19.381 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.131 -9.087 17.504 1.00 22.41 N ATOM 0 H ASN A 41 -11.399 -9.694 20.944 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.158 -11.574 20.499 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.464 -9.831 18.714 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -9.722 -10.978 18.296 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.780 -8.346 17.239 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.022 -9.907 16.907 1.00 22.41 H new ATOM 623 N PHE A 42 -7.457 -9.895 21.381 1.00 71.21 N ATOM 624 CA PHE A 42 -6.565 -9.069 22.186 1.00 52.03 C ATOM 625 C PHE A 42 -5.166 -9.028 21.580 1.00 31.22 C ATOM 626 O PHE A 42 -4.824 -9.844 20.723 1.00 60.33 O ATOM 627 CB PHE A 42 -6.498 -9.601 23.619 1.00 2.54 C ATOM 628 CG PHE A 42 -5.959 -11.001 23.713 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.599 -11.226 23.847 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.814 -12.090 23.667 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.100 -12.512 23.935 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.321 -13.378 23.753 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.962 -13.590 23.887 1.00 22.53 C ATOM 0 H PHE A 42 -7.000 -10.680 20.917 1.00 71.21 H new ATOM 0 HA PHE A 42 -6.964 -8.055 22.201 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.872 -8.938 24.216 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.496 -9.574 24.055 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -3.920 -10.387 23.883 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.877 -11.931 23.563 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.037 -12.674 24.041 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.998 -14.219 23.715 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.575 -14.596 23.954 1.00 22.53 H new ATOM 643 N THR A 43 -4.360 -8.071 22.030 1.00 70.14 N ATOM 644 CA THR A 43 -2.998 -7.922 21.532 1.00 1.25 C ATOM 645 C THR A 43 -2.084 -7.330 22.599 1.00 72.34 C ATOM 646 O THR A 43 -2.285 -6.199 23.045 1.00 32.41 O ATOM 647 CB THR A 43 -2.954 -7.026 20.279 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.596 -6.702 19.957 1.00 61.44 O ATOM 649 CG2 THR A 43 -3.747 -5.747 20.500 1.00 0.43 C ATOM 0 H THR A 43 -4.627 -7.388 22.739 1.00 70.14 H new ATOM 0 HA THR A 43 -2.646 -8.920 21.269 1.00 1.25 H new ATOM 0 HB THR A 43 -3.403 -7.574 19.451 1.00 55.40 H new ATOM 0 HG1 THR A 43 -1.576 -6.134 19.159 1.00 61.44 H new ATOM 0 HG21 THR A 43 -3.701 -5.131 19.602 1.00 0.43 H new ATOM 0 HG22 THR A 43 -4.786 -5.996 20.717 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.323 -5.196 21.340 1.00 0.43 H new ATOM 657 N LEU A 44 -1.080 -8.100 23.004 1.00 30.33 N ATOM 658 CA LEU A 44 -0.133 -7.651 24.019 1.00 30.51 C ATOM 659 C LEU A 44 1.272 -7.532 23.439 1.00 15.23 C ATOM 660 O LEU A 44 1.913 -8.536 23.131 1.00 43.42 O ATOM 661 CB LEU A 44 -0.129 -8.618 25.204 1.00 2.24 C ATOM 662 CG LEU A 44 0.212 -8.012 26.565 1.00 41.34 C ATOM 663 CD1 LEU A 44 0.189 -9.080 27.646 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.571 -7.327 26.518 1.00 72.23 C ATOM 0 H LEU A 44 -0.901 -9.038 22.645 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.447 -6.666 24.363 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.113 -9.082 25.272 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.585 -9.415 24.994 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.542 -7.263 26.807 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.434 -8.630 28.608 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -0.805 -9.525 27.697 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.921 -9.852 27.410 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.798 -6.901 27.495 1.00 72.23 H new ATOM 0 HD22 LEU A 44 2.337 -8.056 26.253 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.553 -6.533 25.772 1.00 72.23 H new ATOM 676 N SER A 45 1.745 -6.298 23.295 1.00 73.42 N ATOM 677 CA SER A 45 3.075 -6.049 22.750 1.00 30.11 C ATOM 678 C SER A 45 4.156 -6.515 23.721 1.00 54.45 C ATOM 679 O SER A 45 4.375 -5.901 24.765 1.00 53.14 O ATOM 680 CB SER A 45 3.253 -4.560 22.447 1.00 12.24 C ATOM 681 OG SER A 45 3.231 -3.791 23.637 1.00 52.35 O ATOM 0 H SER A 45 1.228 -5.456 23.548 1.00 73.42 H new ATOM 0 HA SER A 45 3.174 -6.616 21.824 1.00 30.11 H new ATOM 0 HB2 SER A 45 4.197 -4.402 21.926 1.00 12.24 H new ATOM 0 HB3 SER A 45 2.460 -4.224 21.779 1.00 12.24 H new ATOM 0 HG SER A 45 3.503 -4.351 24.394 1.00 52.35 H new ATOM 687 N VAL A 46 4.830 -7.605 23.367 1.00 11.02 N ATOM 688 CA VAL A 46 5.889 -8.155 24.204 1.00 13.10 C ATOM 689 C VAL A 46 7.148 -8.428 23.389 1.00 41.33 C ATOM 690 O VAL A 46 7.101 -9.012 22.306 1.00 34.03 O ATOM 691 CB VAL A 46 5.441 -9.458 24.893 1.00 71.43 C ATOM 692 CG1 VAL A 46 5.018 -10.490 23.857 1.00 64.43 C ATOM 693 CG2 VAL A 46 6.554 -10.003 25.775 1.00 21.52 C ATOM 0 H VAL A 46 4.661 -8.124 22.506 1.00 11.02 H new ATOM 0 HA VAL A 46 6.110 -7.408 24.967 1.00 13.10 H new ATOM 0 HB VAL A 46 4.581 -9.238 25.526 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.705 -11.404 24.361 1.00 64.43 H new ATOM 0 HG12 VAL A 46 4.188 -10.097 23.269 1.00 64.43 H new ATOM 0 HG13 VAL A 46 5.858 -10.709 23.198 1.00 64.43 H new ATOM 0 HG21 VAL A 46 6.221 -10.924 26.254 1.00 21.52 H new ATOM 0 HG22 VAL A 46 7.434 -10.209 25.165 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.806 -9.267 26.539 1.00 21.52 H new ATOM 703 N PRO A 47 8.302 -7.999 23.921 1.00 12.13 N ATOM 704 CA PRO A 47 9.596 -8.188 23.260 1.00 2.21 C ATOM 705 C PRO A 47 10.033 -9.649 23.246 1.00 41.24 C ATOM 706 O PRO A 47 10.519 -10.153 22.234 1.00 33.23 O ATOM 707 CB PRO A 47 10.555 -7.352 24.111 1.00 32.44 C ATOM 708 CG PRO A 47 9.915 -7.294 25.456 1.00 60.01 C ATOM 709 CD PRO A 47 8.431 -7.297 25.209 1.00 52.01 C ATOM 0 HA PRO A 47 9.564 -7.891 22.212 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.542 -7.811 24.162 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.689 -6.354 23.693 1.00 32.44 H new ATOM 0 HG2 PRO A 47 10.211 -8.147 26.066 1.00 60.01 H new ATOM 0 HG3 PRO A 47 10.219 -6.397 25.995 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.892 -7.813 26.004 1.00 52.01 H new ATOM 0 HD3 PRO A 47 8.030 -6.285 25.157 1.00 52.01 H new ATOM 717 N VAL A 48 9.855 -10.326 24.377 1.00 62.33 N ATOM 718 CA VAL A 48 10.229 -11.730 24.493 1.00 40.41 C ATOM 719 C VAL A 48 9.194 -12.632 23.831 1.00 23.10 C ATOM 720 O VAL A 48 8.010 -12.302 23.779 1.00 71.24 O ATOM 721 CB VAL A 48 10.387 -12.147 25.968 1.00 11.01 C ATOM 722 CG1 VAL A 48 11.560 -11.418 26.606 1.00 61.40 C ATOM 723 CG2 VAL A 48 9.102 -11.884 26.737 1.00 30.33 C ATOM 0 H VAL A 48 9.454 -9.925 25.225 1.00 62.33 H new ATOM 0 HA VAL A 48 11.186 -11.846 23.984 1.00 40.41 H new ATOM 0 HB VAL A 48 10.592 -13.217 26.005 1.00 11.01 H new ATOM 0 HG11 VAL A 48 11.656 -11.725 27.647 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.476 -11.663 26.069 1.00 61.40 H new ATOM 0 HG13 VAL A 48 11.389 -10.343 26.559 1.00 61.40 H new ATOM 0 HG21 VAL A 48 9.232 -12.185 27.777 1.00 30.33 H new ATOM 0 HG22 VAL A 48 8.863 -10.821 26.694 1.00 30.33 H new ATOM 0 HG23 VAL A 48 8.288 -12.457 26.293 1.00 30.33 H new ATOM 733 N ASN A 49 9.649 -13.773 23.324 1.00 53.04 N ATOM 734 CA ASN A 49 8.762 -14.724 22.663 1.00 3.42 C ATOM 735 C ASN A 49 8.399 -15.872 23.601 1.00 15.14 C ATOM 736 O ASN A 49 8.867 -16.997 23.430 1.00 41.55 O ATOM 737 CB ASN A 49 9.422 -15.274 21.397 1.00 63.41 C ATOM 738 CG ASN A 49 10.049 -14.183 20.552 1.00 20.23 C ATOM 739 OD1 ASN A 49 9.349 -13.397 19.912 1.00 0.21 O ATOM 740 ND2 ASN A 49 11.376 -14.128 20.545 1.00 2.13 N ATOM 0 H ASN A 49 10.627 -14.062 23.358 1.00 53.04 H new ATOM 0 HA ASN A 49 7.847 -14.199 22.389 1.00 3.42 H new ATOM 0 HB2 ASN A 49 10.187 -15.999 21.675 1.00 63.41 H new ATOM 0 HB3 ASN A 49 8.678 -15.806 20.805 1.00 63.41 H new ATOM 0 HD21 ASN A 49 11.854 -13.415 19.995 1.00 2.13 H new ATOM 0 HD22 ASN A 49 11.917 -14.799 21.090 1.00 2.13 H new ATOM 747 N SER A 50 7.562 -15.578 24.590 1.00 44.25 N ATOM 748 CA SER A 50 7.139 -16.585 25.557 1.00 32.14 C ATOM 749 C SER A 50 5.700 -17.019 25.294 1.00 64.13 C ATOM 750 O SER A 50 5.108 -16.663 24.275 1.00 43.22 O ATOM 751 CB SER A 50 7.266 -16.039 26.982 1.00 24.20 C ATOM 752 OG SER A 50 7.451 -17.090 27.915 1.00 2.44 O ATOM 0 H SER A 50 7.163 -14.652 24.743 1.00 44.25 H new ATOM 0 HA SER A 50 7.789 -17.454 25.448 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.107 -15.348 27.037 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.371 -15.473 27.239 1.00 24.20 H new ATOM 0 HG SER A 50 6.710 -17.093 28.556 1.00 2.44 H new ATOM 758 N THR A 51 5.144 -17.793 26.221 1.00 5.13 N ATOM 759 CA THR A 51 3.776 -18.278 26.090 1.00 65.34 C ATOM 760 C THR A 51 2.792 -17.345 26.787 1.00 50.11 C ATOM 761 O THR A 51 3.159 -16.618 27.712 1.00 60.11 O ATOM 762 CB THR A 51 3.624 -19.695 26.675 1.00 55.53 C ATOM 763 OG1 THR A 51 4.865 -20.402 26.575 1.00 72.33 O ATOM 764 CG2 THR A 51 2.534 -20.467 25.948 1.00 1.44 C ATOM 0 H THR A 51 5.620 -18.097 27.070 1.00 5.13 H new ATOM 0 HA THR A 51 3.552 -18.307 25.024 1.00 65.34 H new ATOM 0 HB THR A 51 3.343 -19.603 27.724 1.00 55.53 H new ATOM 0 HG1 THR A 51 4.760 -21.301 26.951 1.00 72.33 H new ATOM 0 HG21 THR A 51 2.445 -21.464 26.379 1.00 1.44 H new ATOM 0 HG22 THR A 51 1.585 -19.941 26.052 1.00 1.44 H new ATOM 0 HG23 THR A 51 2.789 -20.550 24.892 1.00 1.44 H new ATOM 772 N LEU A 52 1.542 -17.369 26.339 1.00 33.00 N ATOM 773 CA LEU A 52 0.504 -16.525 26.920 1.00 60.43 C ATOM 774 C LEU A 52 -0.521 -17.365 27.675 1.00 61.44 C ATOM 775 O LEU A 52 -0.814 -18.499 27.293 1.00 62.04 O ATOM 776 CB LEU A 52 -0.191 -15.710 25.828 1.00 25.32 C ATOM 777 CG LEU A 52 0.726 -15.049 24.798 1.00 24.22 C ATOM 778 CD1 LEU A 52 -0.062 -14.648 23.561 1.00 0.43 C ATOM 779 CD2 LEU A 52 1.423 -13.840 25.404 1.00 44.14 C ATOM 0 H LEU A 52 1.222 -17.964 25.575 1.00 33.00 H new ATOM 0 HA LEU A 52 0.978 -15.843 27.626 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.885 -16.364 25.300 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.787 -14.933 26.306 1.00 25.32 H new ATOM 0 HG LEU A 52 1.487 -15.771 24.500 1.00 24.22 H new ATOM 0 HD11 LEU A 52 0.607 -14.179 22.839 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -0.514 -15.534 23.115 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -0.845 -13.943 23.841 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.072 -13.382 24.657 1.00 44.14 H new ATOM 0 HD22 LEU A 52 0.677 -13.115 25.730 1.00 44.14 H new ATOM 0 HD23 LEU A 52 2.021 -14.155 26.259 1.00 44.14 H new ATOM 791 N LYS A 53 -1.068 -16.800 28.746 1.00 74.15 N ATOM 792 CA LYS A 53 -2.065 -17.494 29.553 1.00 74.21 C ATOM 793 C LYS A 53 -3.284 -16.609 29.791 1.00 31.10 C ATOM 794 O LYS A 53 -3.170 -15.514 30.340 1.00 13.00 O ATOM 795 CB LYS A 53 -1.460 -17.919 30.893 1.00 14.13 C ATOM 796 CG LYS A 53 -2.487 -18.427 31.890 1.00 13.04 C ATOM 797 CD LYS A 53 -1.837 -19.244 32.994 1.00 71.31 C ATOM 798 CE LYS A 53 -2.597 -19.117 34.304 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.200 -20.168 35.281 1.00 24.22 N1+ ATOM 0 H LYS A 53 -0.838 -15.863 29.076 1.00 74.15 H new ATOM 0 HA LYS A 53 -2.384 -18.382 29.007 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.720 -18.700 30.717 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.931 -17.071 31.329 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -3.020 -17.582 32.327 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -3.227 -19.037 31.372 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.796 -20.292 32.696 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.808 -18.912 33.136 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.414 -18.133 34.736 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.667 -19.187 34.111 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -2.741 -20.046 36.161 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.398 -21.107 34.880 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.184 -20.086 35.485 1.00 24.22 H new ATOM 813 N ILE A 54 -4.450 -17.093 29.377 1.00 64.31 N ATOM 814 CA ILE A 54 -5.690 -16.346 29.548 1.00 34.23 C ATOM 815 C ILE A 54 -6.681 -17.116 30.414 1.00 24.45 C ATOM 816 O ILE A 54 -6.760 -18.344 30.345 1.00 52.53 O ATOM 817 CB ILE A 54 -6.350 -16.030 28.192 1.00 12.32 C ATOM 818 CG1 ILE A 54 -5.396 -15.218 27.313 1.00 50.32 C ATOM 819 CG2 ILE A 54 -7.656 -15.279 28.400 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.516 -16.071 26.427 1.00 73.40 C ATOM 0 H ILE A 54 -4.562 -17.999 28.921 1.00 64.31 H new ATOM 0 HA ILE A 54 -5.428 -15.411 30.042 1.00 34.23 H new ATOM 0 HB ILE A 54 -6.571 -16.969 27.685 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -5.978 -14.541 26.688 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -4.765 -14.600 27.951 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -8.110 -15.063 27.433 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -8.337 -15.890 28.992 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -7.459 -14.344 28.925 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.866 -15.429 25.833 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.907 -16.730 27.046 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.140 -16.670 25.763 1.00 73.40 H new ATOM 832 N THR A 55 -7.437 -16.388 31.230 1.00 53.10 N ATOM 833 CA THR A 55 -8.423 -17.002 32.109 1.00 62.11 C ATOM 834 C THR A 55 -9.715 -16.195 32.135 1.00 50.41 C ATOM 835 O THR A 55 -9.690 -14.964 32.174 1.00 11.34 O ATOM 836 CB THR A 55 -7.887 -17.137 33.548 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.411 -15.869 34.013 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.764 -18.161 33.613 1.00 13.32 C ATOM 0 H THR A 55 -7.385 -15.372 31.300 1.00 53.10 H new ATOM 0 HA THR A 55 -8.626 -17.996 31.710 1.00 62.11 H new ATOM 0 HB THR A 55 -8.703 -17.475 34.187 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.074 -15.962 34.928 1.00 12.50 H new ATOM 0 HG21 THR A 55 -6.402 -18.239 34.638 1.00 13.32 H new ATOM 0 HG22 THR A 55 -7.137 -19.131 33.285 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.948 -17.847 32.963 1.00 13.32 H new ATOM 846 N TYR A 56 -10.845 -16.893 32.114 1.00 11.42 N ATOM 847 CA TYR A 56 -12.149 -16.241 32.133 1.00 11.02 C ATOM 848 C TYR A 56 -13.062 -16.877 33.175 1.00 62.40 C ATOM 849 O TYR A 56 -13.430 -18.047 33.063 1.00 41.44 O ATOM 850 CB TYR A 56 -12.801 -16.318 30.751 1.00 44.12 C ATOM 851 CG TYR A 56 -13.968 -15.371 30.579 1.00 65.43 C ATOM 852 CD1 TYR A 56 -13.885 -14.052 31.006 1.00 22.43 C ATOM 853 CD2 TYR A 56 -15.152 -15.796 29.989 1.00 4.15 C ATOM 854 CE1 TYR A 56 -14.949 -13.183 30.851 1.00 32.34 C ATOM 855 CE2 TYR A 56 -16.220 -14.934 29.829 1.00 41.03 C ATOM 856 CZ TYR A 56 -16.113 -13.629 30.262 1.00 31.42 C ATOM 857 OH TYR A 56 -17.175 -12.767 30.105 1.00 41.25 O ATOM 0 H TYR A 56 -10.884 -17.912 32.084 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.999 -15.195 32.399 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.051 -16.098 29.992 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.143 -17.338 30.576 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -12.974 -13.699 31.467 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -15.239 -16.818 29.650 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -14.869 -12.161 31.189 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -17.133 -15.280 29.368 1.00 41.03 H new ATOM 0 HH TYR A 56 -16.896 -12.000 29.562 1.00 41.25 H new ATOM 867 N ILE A 57 -13.423 -16.099 34.190 1.00 62.21 N ATOM 868 CA ILE A 57 -14.294 -16.586 35.253 1.00 35.22 C ATOM 869 C ILE A 57 -15.552 -17.230 34.680 1.00 41.02 C ATOM 870 O ILE A 57 -16.362 -16.568 34.032 1.00 74.23 O ATOM 871 CB ILE A 57 -14.704 -15.450 36.209 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.687 -15.968 37.260 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.313 -14.294 35.430 1.00 21.35 C ATOM 874 CD1 ILE A 57 -15.142 -17.114 38.084 1.00 34.03 C ATOM 0 H ILE A 57 -13.126 -15.129 34.299 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.727 -17.332 35.809 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.812 -15.087 36.720 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -15.959 -15.149 37.926 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -16.601 -16.291 36.763 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.597 -13.500 36.120 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.583 -13.911 34.717 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.196 -14.642 34.894 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -15.892 -17.430 38.809 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -14.896 -17.949 37.428 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -14.244 -16.789 38.610 1.00 34.03 H new ATOM 886 N GLY A 58 -15.710 -18.527 34.926 1.00 41.22 N ATOM 887 CA GLY A 58 -16.873 -19.240 34.429 1.00 34.45 C ATOM 888 C GLY A 58 -16.502 -20.511 33.692 1.00 45.03 C ATOM 889 O GLY A 58 -17.006 -21.589 34.007 1.00 23.42 O ATOM 0 H GLY A 58 -15.054 -19.097 35.460 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.529 -19.486 35.264 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.437 -18.588 33.762 1.00 34.45 H new ATOM 893 N TYR A 59 -15.621 -20.385 32.706 1.00 61.23 N ATOM 894 CA TYR A 59 -15.186 -21.532 31.918 1.00 30.13 C ATOM 895 C TYR A 59 -13.731 -21.879 32.217 1.00 1.25 C ATOM 896 O TYR A 59 -13.028 -21.129 32.895 1.00 60.34 O ATOM 897 CB TYR A 59 -15.358 -21.246 30.425 1.00 42.25 C ATOM 898 CG TYR A 59 -16.801 -21.203 29.978 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.293 -22.127 29.063 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.674 -20.240 30.470 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.612 -22.091 28.651 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.993 -20.198 30.065 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.457 -21.126 29.156 1.00 4.31 C ATOM 904 OH TYR A 59 -20.771 -21.086 28.748 1.00 24.41 O ATOM 0 H TYR A 59 -15.194 -19.500 32.433 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.807 -22.385 32.192 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.885 -20.292 30.190 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.833 -22.012 29.854 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.634 -22.885 28.668 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.314 -19.512 31.182 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.978 -22.815 27.938 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.658 -19.443 30.458 1.00 61.12 H new ATOM 0 HH TYR A 59 -21.231 -20.347 29.199 1.00 24.41 H new ATOM 914 N LYS A 60 -13.285 -23.021 31.706 1.00 52.23 N ATOM 915 CA LYS A 60 -11.913 -23.470 31.915 1.00 72.32 C ATOM 916 C LYS A 60 -10.919 -22.467 31.338 1.00 51.35 C ATOM 917 O LYS A 60 -11.245 -21.670 30.456 1.00 73.04 O ATOM 918 CB LYS A 60 -11.700 -24.842 31.274 1.00 13.13 C ATOM 919 CG LYS A 60 -12.191 -25.997 32.130 1.00 75.30 C ATOM 920 CD LYS A 60 -11.376 -27.257 31.888 1.00 4.44 C ATOM 921 CE LYS A 60 -11.675 -28.321 32.933 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.873 -29.557 32.708 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.854 -23.654 31.143 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.742 -23.548 32.989 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.214 -24.869 30.313 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.638 -24.978 31.071 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.132 -25.721 33.183 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.240 -26.194 31.910 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -11.595 -27.649 30.895 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.314 -27.014 31.907 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.462 -27.925 33.926 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -12.737 -28.567 32.908 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -11.104 -30.259 33.440 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.094 -29.949 31.770 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -9.860 -29.327 32.757 1.00 3.41 H new ATOM 936 N PRO A 61 -9.677 -22.506 31.843 1.00 20.42 N ATOM 937 CA PRO A 61 -8.610 -21.608 31.390 1.00 52.34 C ATOM 938 C PRO A 61 -8.148 -21.926 29.972 1.00 43.11 C ATOM 939 O PRO A 61 -8.562 -22.924 29.382 1.00 71.32 O ATOM 940 CB PRO A 61 -7.481 -21.867 32.390 1.00 12.55 C ATOM 941 CG PRO A 61 -7.726 -23.249 32.890 1.00 64.21 C ATOM 942 CD PRO A 61 -9.219 -23.429 32.894 1.00 62.33 C ATOM 0 HA PRO A 61 -8.938 -20.569 31.356 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.504 -21.786 31.913 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.500 -21.143 33.204 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.246 -23.987 32.248 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.314 -23.381 33.891 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.500 -24.459 32.675 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.651 -23.180 33.863 1.00 62.33 H new ATOM 950 N VAL A 62 -7.289 -21.070 29.428 1.00 41.12 N ATOM 951 CA VAL A 62 -6.770 -21.261 28.079 1.00 22.22 C ATOM 952 C VAL A 62 -5.381 -20.650 27.933 1.00 13.54 C ATOM 953 O VAL A 62 -5.071 -19.629 28.549 1.00 74.11 O ATOM 954 CB VAL A 62 -7.704 -20.639 27.025 1.00 23.31 C ATOM 955 CG1 VAL A 62 -7.879 -19.149 27.278 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.170 -20.891 25.623 1.00 33.21 C ATOM 0 H VAL A 62 -6.938 -20.237 29.901 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.711 -22.337 27.912 1.00 22.22 H new ATOM 0 HB VAL A 62 -8.682 -21.114 27.107 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.542 -18.727 26.523 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.311 -18.996 28.267 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -6.909 -18.655 27.226 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.843 -20.444 24.891 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -6.180 -20.445 25.525 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -7.103 -21.965 25.447 1.00 33.21 H new ATOM 966 N THR A 63 -4.545 -21.282 27.115 1.00 11.33 N ATOM 967 CA THR A 63 -3.188 -20.803 26.888 1.00 11.40 C ATOM 968 C THR A 63 -2.863 -20.755 25.400 1.00 54.21 C ATOM 969 O THR A 63 -3.293 -21.616 24.633 1.00 35.44 O ATOM 970 CB THR A 63 -2.151 -21.692 27.600 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.416 -23.071 27.322 1.00 22.11 O ATOM 972 CG2 THR A 63 -2.179 -21.458 29.104 1.00 60.11 C ATOM 0 H THR A 63 -4.785 -22.128 26.598 1.00 11.33 H new ATOM 0 HA THR A 63 -3.136 -19.796 27.301 1.00 11.40 H new ATOM 0 HB THR A 63 -1.161 -21.430 27.226 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.752 -23.630 27.777 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.438 -22.097 29.585 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.949 -20.413 29.314 1.00 60.11 H new ATOM 0 HG23 THR A 63 -3.170 -21.696 29.491 1.00 60.11 H new ATOM 980 N VAL A 64 -2.099 -19.743 24.997 1.00 54.51 N ATOM 981 CA VAL A 64 -1.715 -19.585 23.600 1.00 53.21 C ATOM 982 C VAL A 64 -0.282 -19.078 23.479 1.00 13.32 C ATOM 983 O VAL A 64 0.098 -18.097 24.119 1.00 10.04 O ATOM 984 CB VAL A 64 -2.656 -18.613 22.865 1.00 74.21 C ATOM 985 CG1 VAL A 64 -4.081 -19.146 22.866 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.595 -17.231 23.499 1.00 14.45 C ATOM 0 H VAL A 64 -1.735 -19.021 25.619 1.00 54.51 H new ATOM 0 HA VAL A 64 -1.790 -20.569 23.138 1.00 53.21 H new ATOM 0 HB VAL A 64 -2.326 -18.528 21.830 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -4.732 -18.446 22.342 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -4.108 -20.113 22.363 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -4.425 -19.262 23.894 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.266 -16.557 22.967 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -2.899 -17.296 24.544 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.576 -16.849 23.441 1.00 14.45 H new ATOM 996 N LYS A 65 0.510 -19.751 22.651 1.00 23.50 N ATOM 997 CA LYS A 65 1.901 -19.369 22.443 1.00 33.44 C ATOM 998 C LYS A 65 1.997 -18.092 21.613 1.00 51.13 C ATOM 999 O LYS A 65 1.077 -17.756 20.867 1.00 14.12 O ATOM 1000 CB LYS A 65 2.664 -20.499 21.748 1.00 53.40 C ATOM 1001 CG LYS A 65 2.087 -20.881 20.396 1.00 44.43 C ATOM 1002 CD LYS A 65 3.077 -21.692 19.576 1.00 43.14 C ATOM 1003 CE LYS A 65 2.367 -22.654 18.637 1.00 1.42 C ATOM 1004 NZ LYS A 65 3.137 -22.873 17.380 1.00 70.32 N1+ ATOM 0 H LYS A 65 0.211 -20.564 22.113 1.00 23.50 H new ATOM 0 HA LYS A 65 2.349 -19.182 23.419 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.703 -20.198 21.618 1.00 53.40 H new ATOM 0 HB3 LYS A 65 2.665 -21.377 22.394 1.00 53.40 H new ATOM 0 HG2 LYS A 65 1.173 -21.458 20.539 1.00 44.43 H new ATOM 0 HG3 LYS A 65 1.812 -19.979 19.849 1.00 44.43 H new ATOM 0 HD2 LYS A 65 3.710 -21.019 18.998 1.00 43.14 H new ATOM 0 HD3 LYS A 65 3.732 -22.251 20.244 1.00 43.14 H new ATOM 0 HE2 LYS A 65 2.216 -23.608 19.141 1.00 1.42 H new ATOM 0 HE3 LYS A 65 1.379 -22.262 18.394 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 2.620 -23.535 16.767 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 3.260 -21.966 16.886 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 4.070 -23.271 17.609 1.00 70.32 H new ATOM 1018 N ALA A 66 3.114 -17.386 21.747 1.00 25.33 N ATOM 1019 CA ALA A 66 3.330 -16.150 21.007 1.00 72.41 C ATOM 1020 C ALA A 66 3.309 -16.399 19.503 1.00 62.14 C ATOM 1021 O ALA A 66 4.318 -16.781 18.913 1.00 13.22 O ATOM 1022 CB ALA A 66 4.648 -15.511 21.420 1.00 71.52 C ATOM 0 H ALA A 66 3.884 -17.649 22.362 1.00 25.33 H new ATOM 0 HA ALA A 66 2.516 -15.466 21.246 1.00 72.41 H new ATOM 0 HB1 ALA A 66 4.797 -14.588 20.859 1.00 71.52 H new ATOM 0 HB2 ALA A 66 4.626 -15.288 22.487 1.00 71.52 H new ATOM 0 HB3 ALA A 66 5.467 -16.199 21.210 1.00 71.52 H new ATOM 1028 N ALA A 67 2.151 -16.181 18.888 1.00 60.43 N ATOM 1029 CA ALA A 67 1.998 -16.382 17.453 1.00 33.34 C ATOM 1030 C ALA A 67 1.261 -15.211 16.810 1.00 63.13 C ATOM 1031 O ALA A 67 0.988 -14.204 17.462 1.00 55.04 O ATOM 1032 CB ALA A 67 1.265 -17.686 17.176 1.00 32.31 C ATOM 0 H ALA A 67 1.305 -15.865 19.362 1.00 60.43 H new ATOM 0 HA ALA A 67 2.993 -16.438 17.012 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.158 -17.822 16.100 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.833 -18.518 17.592 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.278 -17.654 17.637 1.00 32.31 H new ATOM 1038 N ALA A 68 0.942 -15.351 15.528 1.00 60.23 N ATOM 1039 CA ALA A 68 0.235 -14.306 14.797 1.00 73.13 C ATOM 1040 C ALA A 68 -1.275 -14.466 14.935 1.00 2.42 C ATOM 1041 O ALA A 68 -1.994 -13.493 15.164 1.00 53.41 O ATOM 1042 CB ALA A 68 0.638 -14.322 13.331 1.00 13.31 C ATOM 0 H ALA A 68 1.162 -16.178 14.973 1.00 60.23 H new ATOM 0 HA ALA A 68 0.513 -13.344 15.227 1.00 73.13 H new ATOM 0 HB1 ALA A 68 0.102 -13.537 12.798 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.711 -14.151 13.247 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.390 -15.290 12.896 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.750 -15.699 14.793 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.175 -15.986 14.901 1.00 43.13 C ATOM 1050 C ILE A 69 -3.419 -17.265 15.694 1.00 23.51 C ATOM 1051 O ILE A 69 -2.871 -18.320 15.376 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.830 -16.122 13.514 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.579 -14.863 12.682 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.322 -16.383 13.656 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.919 -15.029 11.218 1.00 23.11 C ATOM 0 H ILE A 69 -1.169 -16.515 14.603 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.627 -15.144 15.425 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.381 -16.971 12.998 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.168 -14.043 13.093 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.530 -14.580 12.773 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.771 -16.477 12.667 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.478 -17.306 14.214 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.787 -15.554 14.188 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.716 -14.097 10.690 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.312 -15.828 10.792 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.974 -15.282 11.116 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.249 -17.165 16.728 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.570 -18.314 17.567 1.00 74.42 C ATOM 1069 C VAL A 70 -6.047 -18.327 17.940 1.00 52.51 C ATOM 1070 O VAL A 70 -6.577 -17.343 18.453 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.725 -18.323 18.854 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -3.955 -17.048 19.652 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.047 -19.551 19.693 1.00 74.33 C ATOM 0 H VAL A 70 -4.712 -16.299 17.005 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.339 -19.206 16.984 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.672 -18.365 18.577 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.350 -17.072 20.558 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.672 -16.185 19.049 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.009 -16.972 19.921 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.441 -19.542 20.599 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.103 -19.541 19.963 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.828 -20.451 19.119 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.709 -19.450 17.679 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.127 -19.591 17.988 1.00 11.52 C ATOM 1085 C ASN A 71 -8.359 -20.736 18.968 1.00 55.40 C ATOM 1086 O ASN A 71 -7.940 -21.869 18.728 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.928 -19.833 16.707 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.867 -18.653 15.756 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.511 -17.555 16.134 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.249 -18.729 14.694 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.286 -20.275 17.254 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.466 -18.664 18.452 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.545 -20.721 16.205 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.968 -20.035 16.964 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.768 -19.593 14.444 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.217 -17.928 14.064 1.00 50.40 H new ATOM 1097 N VAL A 72 -9.029 -20.434 20.076 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.318 -21.438 21.093 1.00 24.20 C ATOM 1099 C VAL A 72 -10.749 -21.307 21.603 1.00 31.43 C ATOM 1100 O VAL A 72 -11.309 -20.211 21.639 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.348 -21.326 22.285 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.522 -22.506 23.228 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.911 -21.232 21.794 1.00 24.11 C ATOM 0 H VAL A 72 -9.382 -19.502 20.292 1.00 51.53 H new ATOM 0 HA VAL A 72 -9.191 -22.412 20.621 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.580 -20.415 22.836 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.829 -22.409 24.063 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.545 -22.523 23.605 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -8.318 -23.433 22.692 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.239 -21.153 22.649 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.664 -22.124 21.219 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.799 -20.351 21.162 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.336 -22.433 21.996 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.703 -22.445 22.505 1.00 72.02 C ATOM 1115 C LEU A 73 -12.718 -22.616 24.020 1.00 3.23 C ATOM 1116 O LEU A 73 -11.896 -23.342 24.582 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.503 -23.570 21.846 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.283 -23.759 20.344 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.129 -24.716 20.090 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.555 -24.267 19.679 1.00 64.32 C ATOM 0 H LEU A 73 -10.887 -23.348 21.972 1.00 10.54 H new ATOM 0 HA LEU A 73 -13.164 -21.488 22.261 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -13.259 -24.505 22.349 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.563 -23.383 22.017 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.029 -22.792 19.909 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.987 -24.838 19.016 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.218 -24.313 20.533 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.353 -25.684 20.539 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.381 -24.396 18.611 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.838 -25.223 20.118 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.358 -23.546 19.831 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.659 -21.945 24.676 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.783 -22.025 26.128 1.00 22.25 C ATOM 1134 C LEU A 74 -14.666 -23.199 26.536 1.00 10.24 C ATOM 1135 O LEU A 74 -15.845 -23.253 26.184 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.360 -20.721 26.682 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.582 -20.074 27.827 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.136 -19.834 27.419 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.241 -18.771 28.252 1.00 34.41 C ATOM 0 H LEU A 74 -14.346 -21.340 24.226 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.788 -22.182 26.545 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.429 -20.002 25.865 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.377 -20.914 27.024 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.591 -20.755 28.678 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.596 -19.373 28.246 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.667 -20.785 27.165 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.107 -19.172 26.553 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.673 -18.325 29.068 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.264 -18.082 27.407 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.259 -18.970 28.585 1.00 34.41 H new ATOM 1151 N GLU A 75 -14.089 -24.137 27.280 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.825 -25.310 27.736 1.00 73.42 C ATOM 1153 C GLU A 75 -15.471 -25.052 29.095 1.00 44.11 C ATOM 1154 O GLU A 75 -14.934 -24.309 29.917 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.895 -26.521 27.823 1.00 3.14 C ATOM 1156 CG GLU A 75 -13.038 -26.721 26.584 1.00 21.34 C ATOM 1157 CD GLU A 75 -12.398 -28.094 26.531 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.453 -28.813 27.552 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -11.842 -28.451 25.472 1.00 2.54 O1- ATOM 0 H GLU A 75 -13.114 -24.107 27.580 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.613 -25.518 27.012 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -13.244 -26.407 28.690 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -14.493 -27.417 27.989 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -13.652 -26.576 25.695 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -12.258 -25.960 26.560 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.624 -25.671 29.323 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.344 -25.508 30.581 1.00 55.40 C ATOM 1168 C GLU A 76 -16.486 -25.959 31.760 1.00 52.44 C ATOM 1169 O GLU A 76 -15.730 -26.925 31.659 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.650 -26.303 30.554 1.00 21.40 C ATOM 1171 CG GLU A 76 -19.432 -26.146 29.261 1.00 75.12 C ATOM 1172 CD GLU A 76 -20.928 -26.290 29.462 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -21.580 -25.284 29.811 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -21.447 -27.410 29.269 1.00 33.35 O1- ATOM 0 H GLU A 76 -17.080 -26.290 28.653 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.574 -24.450 30.704 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.426 -27.359 30.707 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.276 -25.986 31.388 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -19.220 -25.168 28.829 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -19.092 -26.892 28.543 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.609 -25.250 32.877 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.845 -25.576 34.077 1.00 14.13 C ATOM 1183 C ASP A 77 -16.743 -26.208 35.137 1.00 2.45 C ATOM 1184 O ASP A 77 -17.247 -25.523 36.027 1.00 35.31 O ATOM 1185 CB ASP A 77 -15.177 -24.321 34.639 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.178 -24.637 35.734 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.139 -25.261 35.428 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -14.434 -24.261 36.896 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.230 -24.447 32.977 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.074 -26.296 33.803 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.671 -23.790 33.832 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.942 -23.651 35.032 1.00 0.41 H new ATOM 1193 N THR A 78 -16.939 -27.518 35.034 1.00 73.11 N ATOM 1194 CA THR A 78 -17.777 -28.241 35.981 1.00 32.45 C ATOM 1195 C THR A 78 -17.149 -29.577 36.364 1.00 35.21 C ATOM 1196 O THR A 78 -16.363 -30.143 35.604 1.00 74.43 O ATOM 1197 CB THR A 78 -19.185 -28.495 35.408 1.00 13.32 C ATOM 1198 OG1 THR A 78 -19.968 -29.244 36.344 1.00 10.33 O ATOM 1199 CG2 THR A 78 -19.104 -29.249 34.089 1.00 23.12 C ATOM 0 H THR A 78 -16.529 -28.100 34.304 1.00 73.11 H new ATOM 0 HA THR A 78 -17.862 -27.614 36.869 1.00 32.45 H new ATOM 0 HB THR A 78 -19.660 -27.530 35.229 1.00 13.32 H new ATOM 0 HG1 THR A 78 -20.862 -29.399 35.973 1.00 10.33 H new ATOM 0 HG21 THR A 78 -20.110 -29.417 33.704 1.00 23.12 H new ATOM 0 HG22 THR A 78 -18.533 -28.663 33.369 1.00 23.12 H new ATOM 0 HG23 THR A 78 -18.612 -30.208 34.248 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.501 -30.075 37.545 1.00 71.11 N ATOM 1208 CA GLN A 79 -16.970 -31.345 38.025 1.00 23.05 C ATOM 1209 C GLN A 79 -17.465 -32.503 37.165 1.00 15.21 C ATOM 1210 O GLN A 79 -18.660 -32.791 37.123 1.00 62.32 O ATOM 1211 CB GLN A 79 -17.373 -31.570 39.485 1.00 33.22 C ATOM 1212 CG GLN A 79 -16.540 -32.628 40.189 1.00 21.24 C ATOM 1213 CD GLN A 79 -15.107 -32.189 40.416 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -14.813 -30.994 40.470 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -14.206 -33.154 40.550 1.00 4.20 N ATOM 0 H GLN A 79 -18.150 -29.619 38.186 1.00 71.11 H new ATOM 0 HA GLN A 79 -15.883 -31.305 37.956 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -17.284 -30.629 40.027 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -18.423 -31.861 39.523 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -16.999 -32.867 41.148 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -16.546 -33.543 39.596 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -14.494 -34.131 40.498 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -13.226 -32.919 40.705 1.00 4.20 H new ATOM 1224 N MET A 80 -16.536 -33.163 36.481 1.00 10.55 N ATOM 1225 CA MET A 80 -16.879 -34.290 35.621 1.00 33.12 C ATOM 1226 C MET A 80 -17.599 -35.378 36.413 1.00 54.10 C ATOM 1227 O MET A 80 -17.668 -35.324 37.641 1.00 32.25 O ATOM 1228 CB MET A 80 -15.617 -34.867 34.973 1.00 43.24 C ATOM 1229 CG MET A 80 -14.923 -33.897 34.029 1.00 33.52 C ATOM 1230 SD MET A 80 -15.860 -33.610 32.515 1.00 41.55 S ATOM 1231 CE MET A 80 -15.046 -32.143 31.888 1.00 74.23 C ATOM 0 H MET A 80 -15.542 -32.937 36.505 1.00 10.55 H new ATOM 0 HA MET A 80 -17.548 -33.929 34.840 1.00 33.12 H new ATOM 0 HB2 MET A 80 -14.919 -35.162 35.756 1.00 43.24 H new ATOM 0 HB3 MET A 80 -15.881 -35.771 34.424 1.00 43.24 H new ATOM 0 HG2 MET A 80 -14.767 -32.947 34.541 1.00 33.52 H new ATOM 0 HG3 MET A 80 -13.938 -34.287 33.773 1.00 33.52 H new ATOM 0 HE1 MET A 80 -15.514 -31.840 30.951 1.00 74.23 H new ATOM 0 HE2 MET A 80 -15.137 -31.337 32.616 1.00 74.23 H new ATOM 0 HE3 MET A 80 -13.992 -32.358 31.714 1.00 74.23 H new ATOM 1241 N VAL A 81 -18.134 -36.365 35.701 1.00 0.53 N ATOM 1242 CA VAL A 81 -18.849 -37.466 36.337 1.00 1.25 C ATOM 1243 C VAL A 81 -18.315 -38.813 35.864 1.00 62.43 C ATOM 1244 O VAL A 81 -18.498 -39.193 34.707 1.00 3.11 O ATOM 1245 CB VAL A 81 -20.360 -37.394 36.050 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -21.003 -36.272 36.850 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -20.611 -37.209 34.561 1.00 54.24 C ATOM 0 H VAL A 81 -18.086 -36.425 34.684 1.00 0.53 H new ATOM 0 HA VAL A 81 -18.687 -37.371 37.411 1.00 1.25 H new ATOM 0 HB VAL A 81 -20.816 -38.335 36.358 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -22.071 -36.237 36.634 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -20.854 -36.453 37.915 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -20.546 -35.321 36.576 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -21.684 -37.160 34.376 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -20.143 -36.284 34.225 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -20.186 -38.050 34.013 1.00 54.24 H new ATOM 1257 N ASP A 82 -17.657 -39.532 36.766 1.00 21.33 N ATOM 1258 CA ASP A 82 -17.098 -40.840 36.441 1.00 52.35 C ATOM 1259 C ASP A 82 -17.572 -41.895 37.436 1.00 42.13 C ATOM 1260 O ASP A 82 -16.823 -42.804 37.794 1.00 40.40 O ATOM 1261 CB ASP A 82 -15.570 -40.778 36.434 1.00 62.52 C ATOM 1262 CG ASP A 82 -14.953 -41.804 35.504 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -15.284 -43.002 35.640 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -14.142 -41.411 34.641 1.00 1.31 O1- ATOM 0 H ASP A 82 -17.497 -39.232 37.728 1.00 21.33 H new ATOM 0 HA ASP A 82 -17.447 -41.120 35.447 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -15.251 -39.780 36.132 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -15.198 -40.939 37.446 1.00 62.52 H new ATOM 1269 N GLU A 83 -18.818 -41.766 37.880 1.00 63.12 N ATOM 1270 CA GLU A 83 -19.389 -42.708 38.836 1.00 23.02 C ATOM 1271 C GLU A 83 -19.980 -43.919 38.118 1.00 10.51 C ATOM 1272 O GLU A 83 -21.151 -43.919 37.739 1.00 50.40 O ATOM 1273 CB GLU A 83 -20.468 -42.023 39.677 1.00 13.42 C ATOM 1274 CG GLU A 83 -20.026 -40.697 40.272 1.00 3.23 C ATOM 1275 CD GLU A 83 -18.837 -40.843 41.202 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -17.691 -40.701 40.726 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -19.052 -41.098 42.405 1.00 64.43 O1- ATOM 0 H GLU A 83 -19.451 -41.019 37.594 1.00 63.12 H new ATOM 0 HA GLU A 83 -18.590 -43.051 39.493 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -21.349 -41.858 39.057 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -20.767 -42.692 40.484 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -19.770 -40.009 39.466 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -20.858 -40.253 40.819 1.00 3.23 H new ATOM 1284 N VAL A 84 -19.161 -44.949 37.936 1.00 23.40 N ATOM 1285 CA VAL A 84 -19.600 -46.167 37.267 1.00 2.42 C ATOM 1286 C VAL A 84 -20.065 -47.212 38.274 1.00 11.52 C ATOM 1287 O VAL A 84 -19.270 -47.733 39.057 1.00 34.13 O ATOM 1288 CB VAL A 84 -18.477 -46.769 36.400 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -18.962 -48.024 35.693 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -17.971 -45.743 35.397 1.00 53.25 C ATOM 0 H VAL A 84 -18.188 -44.964 38.243 1.00 23.40 H new ATOM 0 HA VAL A 84 -20.436 -45.890 36.624 1.00 2.42 H new ATOM 0 HB VAL A 84 -17.648 -47.046 37.051 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -18.155 -48.434 35.086 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -19.271 -48.762 36.433 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -19.808 -47.777 35.052 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -17.178 -46.185 34.793 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -18.791 -45.433 34.749 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -17.581 -44.876 35.929 1.00 53.25 H new ATOM 1300 N VAL A 85 -21.359 -47.516 38.250 1.00 23.03 N ATOM 1301 CA VAL A 85 -21.931 -48.500 39.161 1.00 53.43 C ATOM 1302 C VAL A 85 -22.854 -49.461 38.422 1.00 23.44 C ATOM 1303 O VAL A 85 -23.538 -49.078 37.473 1.00 52.44 O ATOM 1304 CB VAL A 85 -22.718 -47.822 40.298 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -23.235 -48.860 41.283 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -21.852 -46.790 41.003 1.00 13.25 C ATOM 0 H VAL A 85 -22.031 -47.094 37.609 1.00 23.03 H new ATOM 0 HA VAL A 85 -21.098 -49.057 39.589 1.00 53.43 H new ATOM 0 HB VAL A 85 -23.576 -47.308 39.866 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -23.788 -48.362 42.079 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -23.893 -49.557 40.765 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -22.394 -49.405 41.712 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -22.424 -46.321 41.803 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -20.973 -47.279 41.423 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -21.537 -46.030 40.288 1.00 13.25 H new ATOM 1316 N VAL A 86 -22.869 -50.715 38.862 1.00 13.51 N ATOM 1317 CA VAL A 86 -23.710 -51.733 38.243 1.00 11.22 C ATOM 1318 C VAL A 86 -25.174 -51.542 38.621 1.00 63.12 C ATOM 1319 O VAL A 86 -25.487 -51.013 39.688 1.00 25.30 O ATOM 1320 CB VAL A 86 -23.268 -53.151 38.652 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -21.867 -53.444 38.134 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -23.330 -53.314 40.163 1.00 73.01 C ATOM 0 H VAL A 86 -22.308 -51.051 39.645 1.00 13.51 H new ATOM 0 HA VAL A 86 -23.598 -51.621 37.164 1.00 11.22 H new ATOM 0 HB VAL A 86 -23.954 -53.869 38.203 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -21.572 -54.450 38.433 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -21.859 -53.371 37.046 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -21.166 -52.721 38.552 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -23.014 -54.322 40.434 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -22.668 -52.588 40.635 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -24.352 -53.150 40.505 1.00 73.01 H new ATOM 1332 N THR A 87 -26.069 -51.974 37.739 1.00 32.30 N ATOM 1333 CA THR A 87 -27.501 -51.850 37.979 1.00 63.34 C ATOM 1334 C THR A 87 -28.294 -52.788 37.076 1.00 32.24 C ATOM 1335 O THR A 87 -27.799 -53.237 36.044 1.00 11.13 O ATOM 1336 CB THR A 87 -27.986 -50.405 37.750 1.00 65.24 C ATOM 1337 OG1 THR A 87 -29.407 -50.334 37.909 1.00 1.23 O ATOM 1338 CG2 THR A 87 -27.599 -49.918 36.363 1.00 64.13 C ATOM 0 H THR A 87 -25.827 -52.413 36.851 1.00 32.30 H new ATOM 0 HA THR A 87 -27.671 -52.123 39.021 1.00 63.34 H new ATOM 0 HB THR A 87 -27.507 -49.763 38.489 1.00 65.24 H new ATOM 0 HG1 THR A 87 -29.707 -49.412 37.764 1.00 1.23 H new ATOM 0 HG21 THR A 87 -27.952 -48.896 36.225 1.00 64.13 H new ATOM 0 HG22 THR A 87 -26.514 -49.945 36.257 1.00 64.13 H new ATOM 0 HG23 THR A 87 -28.053 -50.564 35.611 1.00 64.13 H new ATOM 1346 N GLY A 88 -29.530 -53.080 37.473 1.00 61.42 N ATOM 1347 CA GLY A 88 -30.371 -53.964 36.687 1.00 23.00 C ATOM 1348 C GLY A 88 -31.505 -53.226 36.002 1.00 61.32 C ATOM 1349 O GLY A 88 -32.016 -52.236 36.526 1.00 11.31 O ATOM 0 H GLY A 88 -29.963 -52.720 38.324 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -29.762 -54.467 35.936 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -30.783 -54.738 37.334 1.00 23.00 H new ATOM 1353 N TYR A 89 -31.897 -53.709 34.828 1.00 75.33 N ATOM 1354 CA TYR A 89 -32.975 -53.086 34.068 1.00 31.00 C ATOM 1355 C TYR A 89 -34.282 -53.855 34.247 1.00 2.11 C ATOM 1356 O TYR A 89 -34.288 -55.084 34.316 1.00 10.14 O ATOM 1357 CB TYR A 89 -32.609 -53.017 32.586 1.00 63.35 C ATOM 1358 CG TYR A 89 -33.425 -52.011 31.805 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -34.705 -52.320 31.361 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -32.916 -50.752 31.513 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -35.454 -51.404 30.648 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -33.658 -49.830 30.801 1.00 50.14 C ATOM 1363 CZ TYR A 89 -34.926 -50.161 30.370 1.00 73.01 C ATOM 1364 OH TYR A 89 -35.668 -49.245 29.661 1.00 13.23 O ATOM 0 H TYR A 89 -31.485 -54.529 34.382 1.00 75.33 H new ATOM 0 HA TYR A 89 -33.115 -52.074 34.447 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -31.553 -52.765 32.493 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -32.742 -54.003 32.142 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -35.121 -53.293 31.577 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -31.923 -50.490 31.848 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -36.447 -51.660 30.310 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -33.248 -48.855 30.583 1.00 50.14 H new ATOM 0 HH TYR A 89 -35.151 -48.420 29.552 1.00 13.23 H new ATOM 1374 N THR A 90 -35.388 -53.120 34.319 1.00 63.13 N ATOM 1375 CA THR A 90 -36.700 -53.730 34.489 1.00 73.03 C ATOM 1376 C THR A 90 -37.248 -54.235 33.159 1.00 22.02 C ATOM 1377 O THR A 90 -37.476 -53.455 32.234 1.00 3.25 O ATOM 1378 CB THR A 90 -37.706 -52.738 35.102 1.00 65.23 C ATOM 1379 OG1 THR A 90 -37.124 -52.092 36.241 1.00 50.24 O ATOM 1380 CG2 THR A 90 -38.986 -53.449 35.515 1.00 14.03 C ATOM 0 H THR A 90 -35.400 -52.102 34.262 1.00 63.13 H new ATOM 0 HA THR A 90 -36.571 -54.572 35.169 1.00 73.03 H new ATOM 0 HB THR A 90 -37.952 -51.992 34.347 1.00 65.23 H new ATOM 0 HG1 THR A 90 -37.769 -51.461 36.624 1.00 50.24 H new ATOM 0 HG21 THR A 90 -39.681 -52.727 35.945 1.00 14.03 H new ATOM 0 HG22 THR A 90 -39.442 -53.915 34.641 1.00 14.03 H new ATOM 0 HG23 THR A 90 -38.754 -54.215 36.255 1.00 14.03 H new TER 1388 THR A 90