USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot -100:sc= 0.498 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 178:sc= 0.546 (180deg=0) USER MOD Set 2.1: A 46 CYS SG : rot -82:sc= 0.0935! USER MOD Set 2.2: A 49 CYS SG : rot 154:sc= 0.0967! USER MOD Set 2.3: A 62 HIS : no HE2:sc= -1.01 K(o=-0.82,f=-8.9!) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -0.0677 X(o=-0.068,f=0) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 HIS : no HE2:sc= 0.516 K(o=0.82,f=-1.1) USER MOD Set 4.2: A 9 SER OG : rot 149:sc= 0.302 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.152 (180deg=-0.673) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00219 (180deg=-0.19) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HE2:sc= -0.0623 K(o=-0.062,f=-0.74) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.183 K(o=0.18,f=-3.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.015) USER MOD Single : A 18 CYS SG : rot 40:sc= -0.0419 USER MOD Single : A 21 CYS SG : rot 6:sc= 0.0749 USER MOD Single : A 23 MET CE :methyl 160:sc= -0.113 (180deg=-0.603) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.186 USER MOD Single : A 29 ASN : amide:sc= -0.0993 K(o=-0.099,f=-1.7!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.047) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=-0.075) USER MOD Single : A 39 THR OG1 : rot 9:sc= 0.863 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 55 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.41) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.96) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.966 -53.542 72.728 1.00 5.33 N ATOM 2 CA MET A 1 -1.750 -53.579 71.881 1.00 40.51 C ATOM 3 C MET A 1 -1.905 -54.670 70.814 1.00 3.23 C ATOM 4 O MET A 1 -2.014 -55.856 71.146 1.00 33.45 O ATOM 5 CB MET A 1 -0.491 -53.838 72.756 1.00 4.12 C ATOM 6 CG MET A 1 -0.291 -52.841 73.903 1.00 12.14 C ATOM 7 SD MET A 1 1.187 -53.185 74.887 1.00 32.44 S ATOM 8 CE MET A 1 0.839 -54.847 75.487 1.00 72.33 C ATOM 0 H1 MET A 1 -2.947 -52.691 73.326 1.00 5.33 H new ATOM 0 H2 MET A 1 -3.811 -53.520 72.122 1.00 5.33 H new ATOM 0 H3 MET A 1 -2.995 -54.389 73.331 1.00 5.33 H new ATOM 0 HA MET A 1 -1.624 -52.616 71.386 1.00 40.51 H new ATOM 0 HB2 MET A 1 -0.556 -54.843 73.174 1.00 4.12 H new ATOM 0 HB3 MET A 1 0.391 -53.815 72.115 1.00 4.12 H new ATOM 0 HG2 MET A 1 -0.222 -51.833 73.493 1.00 12.14 H new ATOM 0 HG3 MET A 1 -1.166 -52.862 74.552 1.00 12.14 H new ATOM 0 HE1 MET A 1 1.467 -55.061 76.352 1.00 72.33 H new ATOM 0 HE2 MET A 1 -0.210 -54.918 75.774 1.00 72.33 H new ATOM 0 HE3 MET A 1 1.049 -55.570 74.699 1.00 72.33 H new ATOM 20 N GLY A 2 -1.912 -54.267 69.532 1.00 41.21 N ATOM 21 CA GLY A 2 -2.092 -55.192 68.414 1.00 71.32 C ATOM 22 C GLY A 2 -1.128 -54.919 67.280 1.00 11.54 C ATOM 23 O GLY A 2 -0.752 -53.769 67.044 1.00 21.32 O ATOM 0 H GLY A 2 -1.793 -53.294 69.249 1.00 41.21 H new ATOM 0 HA2 GLY A 2 -1.955 -56.214 68.766 1.00 71.32 H new ATOM 0 HA3 GLY A 2 -3.115 -55.117 68.044 1.00 71.32 H new ATOM 27 N HIS A 3 -0.736 -55.981 66.561 1.00 62.13 N ATOM 28 CA HIS A 3 0.179 -55.893 65.404 1.00 52.13 C ATOM 29 C HIS A 3 -0.631 -55.936 64.095 1.00 41.53 C ATOM 30 O HIS A 3 -0.100 -56.297 63.037 1.00 43.51 O ATOM 31 CB HIS A 3 1.204 -57.056 65.465 1.00 71.44 C ATOM 32 CG HIS A 3 1.948 -57.169 66.774 1.00 74.24 C ATOM 33 ND1 HIS A 3 2.148 -58.369 67.422 1.00 72.35 N ATOM 34 CD2 HIS A 3 2.529 -56.227 67.558 1.00 34.33 C ATOM 35 CE1 HIS A 3 2.808 -58.161 68.539 1.00 42.43 C ATOM 36 NE2 HIS A 3 3.054 -56.877 68.644 1.00 22.10 N ATOM 0 H HIS A 3 -1.044 -56.932 66.764 1.00 62.13 H new ATOM 0 HA HIS A 3 0.725 -54.950 65.435 1.00 52.13 H new ATOM 0 HB2 HIS A 3 0.681 -57.994 65.277 1.00 71.44 H new ATOM 0 HB3 HIS A 3 1.928 -56.928 64.660 1.00 71.44 H new ATOM 0 HD2 HIS A 3 2.570 -55.166 67.363 1.00 34.33 H new ATOM 0 HE1 HIS A 3 3.099 -58.919 69.251 1.00 42.43 H new ATOM 0 HE2 HIS A 3 3.557 -56.433 69.412 1.00 22.10 H new ATOM 45 N HIS A 4 -1.920 -55.550 64.194 1.00 1.34 N ATOM 46 CA HIS A 4 -2.870 -55.536 63.074 1.00 54.32 C ATOM 47 C HIS A 4 -2.380 -54.616 61.944 1.00 52.12 C ATOM 48 O HIS A 4 -2.320 -53.393 62.117 1.00 75.54 O ATOM 49 CB HIS A 4 -4.265 -55.073 63.573 1.00 62.44 C ATOM 50 CG HIS A 4 -5.283 -54.839 62.484 1.00 20.45 C ATOM 51 ND1 HIS A 4 -5.538 -53.587 61.955 1.00 42.05 N ATOM 52 CD2 HIS A 4 -6.086 -55.693 61.804 1.00 41.23 C ATOM 53 CE1 HIS A 4 -6.441 -53.683 61.006 1.00 71.40 C ATOM 54 NE2 HIS A 4 -6.798 -54.946 60.895 1.00 22.22 N ATOM 0 H HIS A 4 -2.332 -55.235 65.072 1.00 1.34 H new ATOM 0 HA HIS A 4 -2.946 -56.548 62.676 1.00 54.32 H new ATOM 0 HB2 HIS A 4 -4.656 -55.823 64.261 1.00 62.44 H new ATOM 0 HB3 HIS A 4 -4.144 -54.151 64.142 1.00 62.44 H new ATOM 0 HD2 HIS A 4 -6.154 -56.761 61.949 1.00 41.23 H new ATOM 0 HE1 HIS A 4 -6.826 -52.864 60.416 1.00 71.40 H new ATOM 0 HE2 HIS A 4 -7.490 -55.311 60.241 1.00 22.22 H new ATOM 63 N HIS A 5 -2.009 -55.217 60.806 1.00 3.30 N ATOM 64 CA HIS A 5 -1.619 -54.490 59.584 1.00 44.01 C ATOM 65 C HIS A 5 -2.229 -55.186 58.364 1.00 50.40 C ATOM 66 O HIS A 5 -2.452 -56.404 58.373 1.00 32.20 O ATOM 67 CB HIS A 5 -0.074 -54.403 59.444 1.00 5.11 C ATOM 68 CG HIS A 5 0.597 -53.647 60.562 1.00 0.24 C ATOM 69 ND1 HIS A 5 1.278 -54.261 61.595 1.00 74.23 N ATOM 70 CD2 HIS A 5 0.641 -52.322 60.832 1.00 34.00 C ATOM 71 CE1 HIS A 5 1.703 -53.349 62.446 1.00 13.04 C ATOM 72 NE2 HIS A 5 1.334 -52.166 62.007 1.00 10.45 N ATOM 0 H HIS A 5 -1.970 -56.231 60.704 1.00 3.30 H new ATOM 0 HA HIS A 5 -1.998 -53.470 59.650 1.00 44.01 H new ATOM 0 HB2 HIS A 5 0.335 -55.413 59.404 1.00 5.11 H new ATOM 0 HB3 HIS A 5 0.169 -53.923 58.496 1.00 5.11 H new ATOM 0 HD1 HIS A 5 1.429 -55.266 61.685 1.00 74.23 H new ATOM 0 HD2 HIS A 5 0.210 -51.533 60.234 1.00 34.00 H new ATOM 0 HE1 HIS A 5 2.260 -53.541 63.351 1.00 13.04 H new ATOM 81 N HIS A 6 -2.495 -54.403 57.317 1.00 42.31 N ATOM 82 CA HIS A 6 -3.080 -54.896 56.066 1.00 12.41 C ATOM 83 C HIS A 6 -2.224 -54.422 54.896 1.00 15.43 C ATOM 84 O HIS A 6 -2.026 -53.213 54.717 1.00 14.12 O ATOM 85 CB HIS A 6 -4.538 -54.392 55.910 1.00 71.32 C ATOM 86 CG HIS A 6 -5.268 -54.973 54.718 1.00 64.43 C ATOM 87 ND1 HIS A 6 -6.140 -56.036 54.816 1.00 54.43 N ATOM 88 CD2 HIS A 6 -5.258 -54.630 53.402 1.00 55.13 C ATOM 89 CE1 HIS A 6 -6.625 -56.323 53.624 1.00 42.04 C ATOM 90 NE2 HIS A 6 -6.107 -55.483 52.747 1.00 72.41 N ATOM 0 H HIS A 6 -2.309 -53.400 57.312 1.00 42.31 H new ATOM 0 HA HIS A 6 -3.102 -55.986 56.082 1.00 12.41 H new ATOM 0 HB2 HIS A 6 -5.094 -54.634 56.816 1.00 71.32 H new ATOM 0 HB3 HIS A 6 -4.528 -53.306 55.822 1.00 71.32 H new ATOM 0 HD2 HIS A 6 -4.685 -53.831 52.955 1.00 55.13 H new ATOM 0 HE1 HIS A 6 -7.328 -57.112 53.402 1.00 42.04 H new ATOM 0 HE2 HIS A 6 -6.306 -55.471 51.747 1.00 72.41 H new ATOM 99 N HIS A 7 -1.730 -55.382 54.103 1.00 71.31 N ATOM 100 CA HIS A 7 -0.940 -55.101 52.905 1.00 22.43 C ATOM 101 C HIS A 7 -1.873 -54.582 51.784 1.00 45.13 C ATOM 102 O HIS A 7 -2.528 -55.368 51.093 1.00 60.52 O ATOM 103 CB HIS A 7 -0.158 -56.369 52.481 1.00 4.13 C ATOM 104 CG HIS A 7 0.726 -56.171 51.285 1.00 71.34 C ATOM 105 ND1 HIS A 7 1.997 -55.645 51.365 1.00 11.34 N ATOM 106 CD2 HIS A 7 0.509 -56.409 49.976 1.00 10.35 C ATOM 107 CE1 HIS A 7 2.509 -55.558 50.158 1.00 70.21 C ATOM 108 NE2 HIS A 7 1.625 -56.013 49.295 1.00 65.31 N ATOM 0 H HIS A 7 -1.869 -56.377 54.278 1.00 71.31 H new ATOM 0 HA HIS A 7 -0.205 -54.323 53.111 1.00 22.43 H new ATOM 0 HB2 HIS A 7 0.453 -56.704 53.320 1.00 4.13 H new ATOM 0 HB3 HIS A 7 -0.869 -57.167 52.266 1.00 4.13 H new ATOM 0 HD1 HIS A 7 2.467 -55.367 52.226 1.00 11.34 H new ATOM 0 HD2 HIS A 7 -0.385 -56.835 49.544 1.00 10.35 H new ATOM 0 HE1 HIS A 7 3.490 -55.177 49.915 1.00 70.21 H new ATOM 117 N HIS A 8 -1.970 -53.251 51.668 1.00 64.42 N ATOM 118 CA HIS A 8 -2.826 -52.592 50.667 1.00 24.20 C ATOM 119 C HIS A 8 -2.175 -52.658 49.276 1.00 21.22 C ATOM 120 O HIS A 8 -1.157 -52.005 49.032 1.00 53.14 O ATOM 121 CB HIS A 8 -3.098 -51.123 51.079 1.00 23.43 C ATOM 122 CG HIS A 8 -3.876 -50.322 50.058 1.00 51.41 C ATOM 123 ND1 HIS A 8 -3.360 -49.213 49.419 1.00 41.42 N ATOM 124 CD2 HIS A 8 -5.140 -50.458 49.584 1.00 33.20 C ATOM 125 CE1 HIS A 8 -4.263 -48.713 48.605 1.00 74.22 C ATOM 126 NE2 HIS A 8 -5.349 -49.444 48.687 1.00 24.44 N ATOM 0 H HIS A 8 -1.459 -52.600 52.264 1.00 64.42 H new ATOM 0 HA HIS A 8 -3.779 -53.118 50.620 1.00 24.20 H new ATOM 0 HB2 HIS A 8 -3.646 -51.118 52.021 1.00 23.43 H new ATOM 0 HB3 HIS A 8 -2.145 -50.627 51.262 1.00 23.43 H new ATOM 0 HD2 HIS A 8 -5.849 -51.223 49.862 1.00 33.20 H new ATOM 0 HE1 HIS A 8 -4.133 -47.846 47.975 1.00 74.22 H new ATOM 0 HE2 HIS A 8 -6.211 -49.283 48.166 1.00 24.44 H new ATOM 135 N SER A 9 -2.762 -53.476 48.383 1.00 42.25 N ATOM 136 CA SER A 9 -2.311 -53.629 46.991 1.00 21.41 C ATOM 137 C SER A 9 -3.498 -54.015 46.087 1.00 0.22 C ATOM 138 O SER A 9 -4.410 -54.714 46.524 1.00 50.32 O ATOM 139 CB SER A 9 -1.190 -54.703 46.887 1.00 11.13 C ATOM 140 OG SER A 9 -0.034 -54.342 47.645 1.00 14.53 O ATOM 0 H SER A 9 -3.571 -54.054 48.612 1.00 42.25 H new ATOM 0 HA SER A 9 -1.905 -52.674 46.657 1.00 21.41 H new ATOM 0 HB2 SER A 9 -1.571 -55.661 47.241 1.00 11.13 H new ATOM 0 HB3 SER A 9 -0.911 -54.837 45.842 1.00 11.13 H new ATOM 0 HG SER A 9 0.406 -55.153 47.976 1.00 14.53 H new ATOM 146 N HIS A 10 -3.471 -53.523 44.830 1.00 51.24 N ATOM 147 CA HIS A 10 -4.421 -53.890 43.749 1.00 33.23 C ATOM 148 C HIS A 10 -3.708 -53.702 42.397 1.00 33.45 C ATOM 149 O HIS A 10 -3.019 -52.692 42.192 1.00 32.22 O ATOM 150 CB HIS A 10 -5.723 -53.021 43.772 1.00 43.50 C ATOM 151 CG HIS A 10 -6.702 -53.335 44.878 1.00 21.04 C ATOM 152 ND1 HIS A 10 -6.853 -52.553 46.006 1.00 62.54 N ATOM 153 CD2 HIS A 10 -7.601 -54.339 45.006 1.00 13.25 C ATOM 154 CE1 HIS A 10 -7.796 -53.061 46.773 1.00 71.33 C ATOM 155 NE2 HIS A 10 -8.268 -54.137 46.186 1.00 23.44 N ATOM 0 H HIS A 10 -2.773 -52.843 44.528 1.00 51.24 H new ATOM 0 HA HIS A 10 -4.725 -54.926 43.901 1.00 33.23 H new ATOM 0 HB2 HIS A 10 -5.436 -51.973 43.853 1.00 43.50 H new ATOM 0 HB3 HIS A 10 -6.233 -53.139 42.816 1.00 43.50 H new ATOM 0 HD2 HIS A 10 -7.762 -55.148 44.309 1.00 13.25 H new ATOM 0 HE1 HIS A 10 -8.124 -52.661 47.721 1.00 71.33 H new ATOM 0 HE2 HIS A 10 -9.014 -54.729 46.551 1.00 23.44 H new ATOM 164 N MET A 11 -3.879 -54.660 41.467 1.00 4.12 N ATOM 165 CA MET A 11 -3.239 -54.604 40.132 1.00 22.14 C ATOM 166 C MET A 11 -4.300 -54.659 39.010 1.00 1.44 C ATOM 167 O MET A 11 -4.790 -55.746 38.661 1.00 72.42 O ATOM 168 CB MET A 11 -2.193 -55.744 39.977 1.00 43.32 C ATOM 169 CG MET A 11 -1.540 -55.825 38.582 1.00 13.14 C ATOM 170 SD MET A 11 -0.820 -54.250 38.044 1.00 33.23 S ATOM 171 CE MET A 11 -0.234 -54.673 36.398 1.00 50.15 C ATOM 0 H MET A 11 -4.457 -55.487 41.613 1.00 4.12 H new ATOM 0 HA MET A 11 -2.713 -53.653 40.043 1.00 22.14 H new ATOM 0 HB2 MET A 11 -1.411 -55.607 40.723 1.00 43.32 H new ATOM 0 HB3 MET A 11 -2.677 -56.696 40.194 1.00 43.32 H new ATOM 0 HG2 MET A 11 -0.762 -56.588 38.595 1.00 13.14 H new ATOM 0 HG3 MET A 11 -2.287 -56.144 37.855 1.00 13.14 H new ATOM 0 HE1 MET A 11 0.233 -53.800 35.943 1.00 50.15 H new ATOM 0 HE2 MET A 11 0.495 -55.480 36.468 1.00 50.15 H new ATOM 0 HE3 MET A 11 -1.075 -54.996 35.784 1.00 50.15 H new ATOM 181 N PRO A 12 -4.726 -53.475 38.472 1.00 71.12 N ATOM 182 CA PRO A 12 -5.533 -53.412 37.241 1.00 22.21 C ATOM 183 C PRO A 12 -4.641 -53.469 35.976 1.00 51.44 C ATOM 184 O PRO A 12 -3.506 -52.983 35.987 1.00 0.04 O ATOM 185 CB PRO A 12 -6.249 -52.051 37.379 1.00 5.13 C ATOM 186 CG PRO A 12 -5.286 -51.180 38.131 1.00 3.40 C ATOM 187 CD PRO A 12 -4.500 -52.108 39.044 1.00 60.03 C ATOM 0 HA PRO A 12 -6.222 -54.249 37.128 1.00 22.21 H new ATOM 0 HB2 PRO A 12 -6.484 -51.628 36.402 1.00 5.13 H new ATOM 0 HB3 PRO A 12 -7.191 -52.154 37.917 1.00 5.13 H new ATOM 0 HG2 PRO A 12 -4.622 -50.653 37.446 1.00 3.40 H new ATOM 0 HG3 PRO A 12 -5.816 -50.422 38.708 1.00 3.40 H new ATOM 0 HD2 PRO A 12 -3.441 -51.852 39.054 1.00 60.03 H new ATOM 0 HD3 PRO A 12 -4.853 -52.045 40.073 1.00 60.03 H new ATOM 195 N ASN A 13 -5.138 -54.102 34.902 1.00 41.32 N ATOM 196 CA ASN A 13 -4.492 -54.031 33.570 1.00 72.23 C ATOM 197 C ASN A 13 -5.060 -52.840 32.785 1.00 41.14 C ATOM 198 O ASN A 13 -6.131 -52.317 33.123 1.00 62.11 O ATOM 199 CB ASN A 13 -4.663 -55.350 32.766 1.00 45.10 C ATOM 200 CG ASN A 13 -6.119 -55.710 32.439 1.00 35.42 C ATOM 201 OD1 ASN A 13 -7.014 -55.549 33.261 1.00 60.20 O ATOM 202 ND2 ASN A 13 -6.369 -56.181 31.229 1.00 12.53 N ATOM 0 H ASN A 13 -5.985 -54.670 34.924 1.00 41.32 H new ATOM 0 HA ASN A 13 -3.422 -53.890 33.722 1.00 72.23 H new ATOM 0 HB2 ASN A 13 -4.104 -55.268 31.834 1.00 45.10 H new ATOM 0 HB3 ASN A 13 -4.218 -56.167 33.334 1.00 45.10 H new ATOM 0 HD21 ASN A 13 -7.324 -56.419 30.962 1.00 12.53 H new ATOM 0 HD22 ASN A 13 -5.607 -56.306 30.563 1.00 12.53 H new ATOM 209 N GLY A 14 -4.343 -52.423 31.734 1.00 74.43 N ATOM 210 CA GLY A 14 -4.741 -51.269 30.939 1.00 32.32 C ATOM 211 C GLY A 14 -4.236 -51.355 29.514 1.00 23.52 C ATOM 212 O GLY A 14 -3.112 -50.928 29.217 1.00 31.12 O ATOM 0 H GLY A 14 -3.483 -52.873 31.419 1.00 74.43 H new ATOM 0 HA2 GLY A 14 -5.828 -51.191 30.933 1.00 32.32 H new ATOM 0 HA3 GLY A 14 -4.359 -50.360 31.404 1.00 32.32 H new ATOM 216 N LYS A 15 -5.055 -51.945 28.637 1.00 35.05 N ATOM 217 CA LYS A 15 -4.824 -51.967 27.184 1.00 52.44 C ATOM 218 C LYS A 15 -6.041 -51.355 26.496 1.00 54.03 C ATOM 219 O LYS A 15 -7.158 -51.855 26.643 1.00 62.24 O ATOM 220 CB LYS A 15 -4.574 -53.419 26.684 1.00 71.52 C ATOM 221 CG LYS A 15 -4.406 -53.559 25.147 1.00 60.30 C ATOM 222 CD LYS A 15 -4.076 -55.007 24.709 1.00 1.31 C ATOM 223 CE LYS A 15 -2.727 -55.504 25.250 1.00 12.45 C ATOM 224 NZ LYS A 15 -2.472 -56.922 24.877 1.00 24.23 N ATOM 0 H LYS A 15 -5.909 -52.428 28.917 1.00 35.05 H new ATOM 0 HA LYS A 15 -3.933 -51.387 26.942 1.00 52.44 H new ATOM 0 HB2 LYS A 15 -3.678 -53.806 27.170 1.00 71.52 H new ATOM 0 HB3 LYS A 15 -5.406 -54.046 27.003 1.00 71.52 H new ATOM 0 HG2 LYS A 15 -5.323 -53.236 24.655 1.00 60.30 H new ATOM 0 HG3 LYS A 15 -3.612 -52.893 24.811 1.00 60.30 H new ATOM 0 HD2 LYS A 15 -4.867 -55.674 25.052 1.00 1.31 H new ATOM 0 HD3 LYS A 15 -4.066 -55.058 23.620 1.00 1.31 H new ATOM 0 HE2 LYS A 15 -1.926 -54.876 24.861 1.00 12.45 H new ATOM 0 HE3 LYS A 15 -2.712 -55.405 26.335 1.00 12.45 H new ATOM 0 HZ1 LYS A 15 -1.553 -57.222 25.260 1.00 24.23 H new ATOM 0 HZ2 LYS A 15 -3.223 -57.525 25.269 1.00 24.23 H new ATOM 0 HZ3 LYS A 15 -2.462 -57.012 23.841 1.00 24.23 H new ATOM 238 N LEU A 16 -5.820 -50.244 25.777 1.00 51.45 N ATOM 239 CA LEU A 16 -6.880 -49.501 25.084 1.00 2.13 C ATOM 240 C LEU A 16 -6.823 -49.826 23.583 1.00 70.32 C ATOM 241 O LEU A 16 -5.985 -49.283 22.860 1.00 74.14 O ATOM 242 CB LEU A 16 -6.739 -47.963 25.347 1.00 53.34 C ATOM 243 CG LEU A 16 -7.224 -47.436 26.749 1.00 64.11 C ATOM 244 CD1 LEU A 16 -6.431 -48.048 27.918 1.00 44.43 C ATOM 245 CD2 LEU A 16 -7.169 -45.895 26.799 1.00 52.21 C ATOM 0 H LEU A 16 -4.893 -49.834 25.660 1.00 51.45 H new ATOM 0 HA LEU A 16 -7.853 -49.804 25.470 1.00 2.13 H new ATOM 0 HB2 LEU A 16 -5.690 -47.692 25.227 1.00 53.34 H new ATOM 0 HB3 LEU A 16 -7.296 -47.434 24.574 1.00 53.34 H new ATOM 0 HG LEU A 16 -8.259 -47.757 26.868 1.00 64.11 H new ATOM 0 HD11 LEU A 16 -6.807 -47.650 28.861 1.00 44.43 H new ATOM 0 HD12 LEU A 16 -6.548 -49.132 27.909 1.00 44.43 H new ATOM 0 HD13 LEU A 16 -5.376 -47.796 27.813 1.00 44.43 H new ATOM 0 HD21 LEU A 16 -7.508 -45.550 27.776 1.00 52.21 H new ATOM 0 HD22 LEU A 16 -6.145 -45.562 26.632 1.00 52.21 H new ATOM 0 HD23 LEU A 16 -7.815 -45.483 26.024 1.00 52.21 H new ATOM 257 N LYS A 17 -7.705 -50.739 23.135 1.00 11.42 N ATOM 258 CA LYS A 17 -7.821 -51.125 21.721 1.00 13.42 C ATOM 259 C LYS A 17 -8.446 -49.946 20.946 1.00 71.32 C ATOM 260 O LYS A 17 -9.675 -49.784 20.918 1.00 55.24 O ATOM 261 CB LYS A 17 -8.669 -52.441 21.591 1.00 30.15 C ATOM 262 CG LYS A 17 -8.569 -53.220 20.242 1.00 44.51 C ATOM 263 CD LYS A 17 -9.322 -52.552 19.064 1.00 30.50 C ATOM 264 CE LYS A 17 -9.268 -53.389 17.774 1.00 64.14 C ATOM 265 NZ LYS A 17 -7.878 -53.573 17.267 1.00 1.24 N ATOM 0 H LYS A 17 -8.357 -51.229 23.747 1.00 11.42 H new ATOM 0 HA LYS A 17 -6.841 -51.339 21.295 1.00 13.42 H new ATOM 0 HB2 LYS A 17 -8.372 -53.116 22.394 1.00 30.15 H new ATOM 0 HB3 LYS A 17 -9.716 -52.187 21.758 1.00 30.15 H new ATOM 0 HG2 LYS A 17 -7.518 -53.325 19.973 1.00 44.51 H new ATOM 0 HG3 LYS A 17 -8.963 -54.226 20.386 1.00 44.51 H new ATOM 0 HD2 LYS A 17 -10.363 -52.394 19.346 1.00 30.50 H new ATOM 0 HD3 LYS A 17 -8.891 -51.569 18.873 1.00 30.50 H new ATOM 0 HE2 LYS A 17 -9.715 -54.366 17.960 1.00 64.14 H new ATOM 0 HE3 LYS A 17 -9.870 -52.904 17.005 1.00 64.14 H new ATOM 0 HZ1 LYS A 17 -7.902 -54.100 16.370 1.00 1.24 H new ATOM 0 HZ2 LYS A 17 -7.440 -52.643 17.110 1.00 1.24 H new ATOM 0 HZ3 LYS A 17 -7.321 -54.105 17.966 1.00 1.24 H new ATOM 279 N CYS A 18 -7.576 -49.091 20.393 1.00 11.44 N ATOM 280 CA CYS A 18 -7.965 -47.948 19.559 1.00 54.00 C ATOM 281 C CYS A 18 -7.644 -48.274 18.090 1.00 4.32 C ATOM 282 O CYS A 18 -6.480 -48.214 17.664 1.00 14.04 O ATOM 283 CB CYS A 18 -7.236 -46.674 20.054 1.00 11.35 C ATOM 284 SG CYS A 18 -5.441 -46.847 20.201 1.00 74.33 S ATOM 0 H CYS A 18 -6.567 -49.176 20.515 1.00 11.44 H new ATOM 0 HA CYS A 18 -9.035 -47.757 19.635 1.00 54.00 H new ATOM 0 HB2 CYS A 18 -7.455 -45.856 19.368 1.00 11.35 H new ATOM 0 HB3 CYS A 18 -7.642 -46.392 21.026 1.00 11.35 H new ATOM 0 HG CYS A 18 -4.988 -47.540 19.199 1.00 74.33 H new ATOM 290 N ASP A 19 -8.680 -48.678 17.337 1.00 55.14 N ATOM 291 CA ASP A 19 -8.540 -49.142 15.945 1.00 33.45 C ATOM 292 C ASP A 19 -8.628 -47.945 14.976 1.00 62.30 C ATOM 293 O ASP A 19 -9.645 -47.239 14.941 1.00 13.41 O ATOM 294 CB ASP A 19 -9.636 -50.198 15.633 1.00 4.20 C ATOM 295 CG ASP A 19 -9.415 -50.941 14.296 1.00 22.41 C ATOM 296 OD1 ASP A 19 -9.824 -50.426 13.229 1.00 11.44 O ATOM 297 OD2 ASP A 19 -8.831 -52.047 14.309 1.00 62.31 O ATOM 0 H ASP A 19 -9.642 -48.692 17.677 1.00 55.14 H new ATOM 0 HA ASP A 19 -7.564 -49.610 15.814 1.00 33.45 H new ATOM 0 HB2 ASP A 19 -9.668 -50.927 16.443 1.00 4.20 H new ATOM 0 HB3 ASP A 19 -10.608 -49.705 15.609 1.00 4.20 H new ATOM 302 N VAL A 20 -7.556 -47.717 14.204 1.00 22.53 N ATOM 303 CA VAL A 20 -7.494 -46.648 13.186 1.00 73.41 C ATOM 304 C VAL A 20 -7.654 -47.254 11.777 1.00 10.12 C ATOM 305 O VAL A 20 -7.001 -48.250 11.437 1.00 43.01 O ATOM 306 CB VAL A 20 -6.165 -45.807 13.309 1.00 2.14 C ATOM 307 CG1 VAL A 20 -4.904 -46.696 13.311 1.00 70.22 C ATOM 308 CG2 VAL A 20 -6.081 -44.705 12.223 1.00 71.40 C ATOM 0 H VAL A 20 -6.701 -48.270 14.265 1.00 22.53 H new ATOM 0 HA VAL A 20 -8.319 -45.957 13.360 1.00 73.41 H new ATOM 0 HB VAL A 20 -6.201 -45.311 14.279 1.00 2.14 H new ATOM 0 HG11 VAL A 20 -4.017 -46.069 13.398 1.00 70.22 H new ATOM 0 HG12 VAL A 20 -4.945 -47.384 14.155 1.00 70.22 H new ATOM 0 HG13 VAL A 20 -4.858 -47.264 12.382 1.00 70.22 H new ATOM 0 HG21 VAL A 20 -5.152 -44.148 12.341 1.00 71.40 H new ATOM 0 HG22 VAL A 20 -6.105 -45.165 11.235 1.00 71.40 H new ATOM 0 HG23 VAL A 20 -6.927 -44.026 12.328 1.00 71.40 H new ATOM 318 N CYS A 21 -8.551 -46.660 10.976 1.00 74.14 N ATOM 319 CA CYS A 21 -8.834 -47.096 9.600 1.00 11.35 C ATOM 320 C CYS A 21 -8.465 -45.969 8.609 1.00 12.30 C ATOM 321 O CYS A 21 -9.324 -45.176 8.194 1.00 34.34 O ATOM 322 CB CYS A 21 -10.319 -47.502 9.477 1.00 61.31 C ATOM 323 SG CYS A 21 -10.840 -48.743 10.681 1.00 14.35 S ATOM 0 H CYS A 21 -9.106 -45.855 11.268 1.00 74.14 H new ATOM 0 HA CYS A 21 -8.228 -47.968 9.355 1.00 11.35 H new ATOM 0 HB2 CYS A 21 -10.939 -46.613 9.594 1.00 61.31 H new ATOM 0 HB3 CYS A 21 -10.499 -47.886 8.473 1.00 61.31 H new ATOM 0 HG CYS A 21 -9.874 -48.963 11.523 1.00 14.35 H new ATOM 329 N GLY A 22 -7.161 -45.876 8.282 1.00 22.11 N ATOM 330 CA GLY A 22 -6.647 -44.874 7.339 1.00 10.23 C ATOM 331 C GLY A 22 -6.828 -45.319 5.894 1.00 63.04 C ATOM 332 O GLY A 22 -5.923 -45.919 5.299 1.00 1.34 O ATOM 0 H GLY A 22 -6.442 -46.491 8.663 1.00 22.11 H new ATOM 0 HA2 GLY A 22 -7.164 -43.927 7.496 1.00 10.23 H new ATOM 0 HA3 GLY A 22 -5.590 -44.697 7.536 1.00 10.23 H new ATOM 336 N MET A 23 -8.019 -45.030 5.339 1.00 2.03 N ATOM 337 CA MET A 23 -8.451 -45.514 4.010 1.00 53.31 C ATOM 338 C MET A 23 -9.563 -44.615 3.442 1.00 42.34 C ATOM 339 O MET A 23 -10.024 -43.701 4.129 1.00 53.30 O ATOM 340 CB MET A 23 -8.951 -46.986 4.141 1.00 10.20 C ATOM 341 CG MET A 23 -10.095 -47.182 5.160 1.00 4.44 C ATOM 342 SD MET A 23 -10.565 -48.916 5.380 1.00 15.13 S ATOM 343 CE MET A 23 -9.038 -49.648 5.984 1.00 2.23 C ATOM 0 H MET A 23 -8.717 -44.449 5.803 1.00 2.03 H new ATOM 0 HA MET A 23 -7.607 -45.478 3.321 1.00 53.31 H new ATOM 0 HB2 MET A 23 -9.288 -47.331 3.164 1.00 10.20 H new ATOM 0 HB3 MET A 23 -8.111 -47.618 4.430 1.00 10.20 H new ATOM 0 HG2 MET A 23 -9.790 -46.770 6.122 1.00 4.44 H new ATOM 0 HG3 MET A 23 -10.966 -46.615 4.832 1.00 4.44 H new ATOM 0 HE1 MET A 23 -9.260 -50.589 6.487 1.00 2.23 H new ATOM 0 HE2 MET A 23 -8.367 -49.834 5.145 1.00 2.23 H new ATOM 0 HE3 MET A 23 -8.560 -48.965 6.686 1.00 2.23 H new ATOM 353 N VAL A 24 -9.974 -44.905 2.186 1.00 20.35 N ATOM 354 CA VAL A 24 -11.072 -44.205 1.475 1.00 10.21 C ATOM 355 C VAL A 24 -10.807 -42.686 1.358 1.00 74.00 C ATOM 356 O VAL A 24 -11.182 -41.901 2.241 1.00 33.13 O ATOM 357 CB VAL A 24 -12.504 -44.499 2.098 1.00 71.11 C ATOM 358 CG1 VAL A 24 -13.634 -43.760 1.328 1.00 51.30 C ATOM 359 CG2 VAL A 24 -12.781 -46.023 2.141 1.00 51.54 C ATOM 0 H VAL A 24 -9.546 -45.644 1.628 1.00 20.35 H new ATOM 0 HA VAL A 24 -11.085 -44.618 0.466 1.00 10.21 H new ATOM 0 HB VAL A 24 -12.499 -44.116 3.118 1.00 71.11 H new ATOM 0 HG11 VAL A 24 -14.596 -43.988 1.786 1.00 51.30 H new ATOM 0 HG12 VAL A 24 -13.459 -42.685 1.368 1.00 51.30 H new ATOM 0 HG13 VAL A 24 -13.641 -44.088 0.288 1.00 51.30 H new ATOM 0 HG21 VAL A 24 -13.767 -46.202 2.571 1.00 51.54 H new ATOM 0 HG22 VAL A 24 -12.748 -46.428 1.129 1.00 51.54 H new ATOM 0 HG23 VAL A 24 -12.024 -46.513 2.753 1.00 51.54 H new ATOM 369 N CYS A 25 -10.116 -42.298 0.279 1.00 53.20 N ATOM 370 CA CYS A 25 -9.864 -40.884 -0.056 1.00 74.42 C ATOM 371 C CYS A 25 -11.182 -40.151 -0.406 1.00 54.45 C ATOM 372 O CYS A 25 -12.131 -40.764 -0.911 1.00 64.11 O ATOM 373 CB CYS A 25 -8.863 -40.795 -1.229 1.00 32.15 C ATOM 374 SG CYS A 25 -8.509 -39.115 -1.795 1.00 33.14 S ATOM 0 H CYS A 25 -9.714 -42.954 -0.390 1.00 53.20 H new ATOM 0 HA CYS A 25 -9.434 -40.392 0.816 1.00 74.42 H new ATOM 0 HB2 CYS A 25 -7.928 -41.267 -0.927 1.00 32.15 H new ATOM 0 HB3 CYS A 25 -9.255 -41.371 -2.067 1.00 32.15 H new ATOM 0 HG CYS A 25 -7.658 -39.158 -2.777 1.00 33.14 H new ATOM 380 N ILE A 26 -11.221 -38.837 -0.147 1.00 52.41 N ATOM 381 CA ILE A 26 -12.396 -37.984 -0.382 1.00 5.34 C ATOM 382 C ILE A 26 -11.922 -36.592 -0.829 1.00 2.00 C ATOM 383 O ILE A 26 -10.766 -36.210 -0.574 1.00 31.35 O ATOM 384 CB ILE A 26 -13.288 -37.881 0.922 1.00 74.44 C ATOM 385 CG1 ILE A 26 -14.690 -37.242 0.636 1.00 72.11 C ATOM 386 CG2 ILE A 26 -12.554 -37.112 2.048 1.00 63.03 C ATOM 387 CD1 ILE A 26 -15.590 -38.048 -0.296 1.00 0.13 C ATOM 0 H ILE A 26 -10.425 -38.328 0.238 1.00 52.41 H new ATOM 0 HA ILE A 26 -13.011 -38.426 -1.166 1.00 5.34 H new ATOM 0 HB ILE A 26 -13.462 -38.902 1.261 1.00 74.44 H new ATOM 0 HG12 ILE A 26 -15.208 -37.101 1.585 1.00 72.11 H new ATOM 0 HG13 ILE A 26 -14.540 -36.252 0.205 1.00 72.11 H new ATOM 0 HG21 ILE A 26 -13.194 -37.059 2.929 1.00 63.03 H new ATOM 0 HG22 ILE A 26 -11.630 -37.632 2.301 1.00 63.03 H new ATOM 0 HG23 ILE A 26 -12.321 -36.103 1.708 1.00 63.03 H new ATOM 0 HD11 ILE A 26 -16.536 -37.524 -0.432 1.00 0.13 H new ATOM 0 HD12 ILE A 26 -15.100 -38.167 -1.262 1.00 0.13 H new ATOM 0 HD13 ILE A 26 -15.778 -39.030 0.139 1.00 0.13 H new ATOM 399 N GLY A 27 -12.814 -35.842 -1.490 1.00 25.11 N ATOM 400 CA GLY A 27 -12.504 -34.493 -1.944 1.00 52.15 C ATOM 401 C GLY A 27 -12.088 -34.485 -3.412 1.00 32.52 C ATOM 402 O GLY A 27 -10.906 -34.683 -3.711 1.00 73.33 O ATOM 0 H GLY A 27 -13.757 -36.154 -1.720 1.00 25.11 H new ATOM 0 HA2 GLY A 27 -13.375 -33.852 -1.807 1.00 52.15 H new ATOM 0 HA3 GLY A 27 -11.702 -34.077 -1.334 1.00 52.15 H new ATOM 406 N PRO A 28 -13.053 -34.299 -4.366 1.00 14.44 N ATOM 407 CA PRO A 28 -12.753 -34.242 -5.812 1.00 53.22 C ATOM 408 C PRO A 28 -12.312 -32.830 -6.258 1.00 72.22 C ATOM 409 O PRO A 28 -12.284 -31.886 -5.459 1.00 41.14 O ATOM 410 CB PRO A 28 -14.101 -34.667 -6.437 1.00 63.00 C ATOM 411 CG PRO A 28 -15.152 -34.179 -5.482 1.00 12.12 C ATOM 412 CD PRO A 28 -14.513 -34.141 -4.105 1.00 12.10 C ATOM 0 HA PRO A 28 -11.919 -34.876 -6.113 1.00 53.22 H new ATOM 0 HB2 PRO A 28 -14.233 -34.226 -7.425 1.00 63.00 H new ATOM 0 HB3 PRO A 28 -14.154 -35.749 -6.561 1.00 63.00 H new ATOM 0 HG2 PRO A 28 -15.507 -33.190 -5.771 1.00 12.12 H new ATOM 0 HG3 PRO A 28 -16.017 -34.842 -5.488 1.00 12.12 H new ATOM 0 HD2 PRO A 28 -14.726 -33.202 -3.595 1.00 12.10 H new ATOM 0 HD3 PRO A 28 -14.892 -34.942 -3.470 1.00 12.10 H new ATOM 420 N ASN A 29 -11.986 -32.688 -7.555 1.00 21.40 N ATOM 421 CA ASN A 29 -11.532 -31.401 -8.143 1.00 15.35 C ATOM 422 C ASN A 29 -12.732 -30.562 -8.630 1.00 25.33 C ATOM 423 O ASN A 29 -12.591 -29.755 -9.556 1.00 40.33 O ATOM 424 CB ASN A 29 -10.529 -31.645 -9.310 1.00 33.42 C ATOM 425 CG ASN A 29 -9.192 -32.256 -8.872 1.00 24.44 C ATOM 426 OD1 ASN A 29 -9.132 -33.081 -7.966 1.00 31.20 O ATOM 427 ND2 ASN A 29 -8.103 -31.830 -9.491 1.00 75.22 N ATOM 0 H ASN A 29 -12.027 -33.454 -8.228 1.00 21.40 H new ATOM 0 HA ASN A 29 -11.018 -30.841 -7.361 1.00 15.35 H new ATOM 0 HB2 ASN A 29 -10.995 -32.304 -10.042 1.00 33.42 H new ATOM 0 HB3 ASN A 29 -10.335 -30.697 -9.812 1.00 33.42 H new ATOM 0 HD21 ASN A 29 -7.188 -32.188 -9.218 1.00 75.22 H new ATOM 0 HD22 ASN A 29 -8.179 -31.143 -10.242 1.00 75.22 H new ATOM 434 N VAL A 30 -13.895 -30.716 -7.967 1.00 4.33 N ATOM 435 CA VAL A 30 -15.139 -30.005 -8.325 1.00 72.44 C ATOM 436 C VAL A 30 -15.001 -28.484 -8.177 1.00 15.11 C ATOM 437 O VAL A 30 -15.648 -27.738 -8.905 1.00 41.14 O ATOM 438 CB VAL A 30 -16.369 -30.524 -7.493 1.00 43.12 C ATOM 439 CG1 VAL A 30 -16.715 -31.978 -7.882 1.00 55.21 C ATOM 440 CG2 VAL A 30 -16.119 -30.392 -5.972 1.00 71.13 C ATOM 0 H VAL A 30 -13.999 -31.339 -7.166 1.00 4.33 H new ATOM 0 HA VAL A 30 -15.321 -30.223 -9.377 1.00 72.44 H new ATOM 0 HB VAL A 30 -17.227 -29.897 -7.734 1.00 43.12 H new ATOM 0 HG11 VAL A 30 -17.568 -32.318 -7.295 1.00 55.21 H new ATOM 0 HG12 VAL A 30 -16.963 -32.022 -8.942 1.00 55.21 H new ATOM 0 HG13 VAL A 30 -15.858 -32.622 -7.683 1.00 55.21 H new ATOM 0 HG21 VAL A 30 -16.989 -30.760 -5.427 1.00 71.13 H new ATOM 0 HG22 VAL A 30 -15.243 -30.978 -5.695 1.00 71.13 H new ATOM 0 HG23 VAL A 30 -15.949 -29.345 -5.721 1.00 71.13 H new ATOM 450 N LEU A 31 -14.133 -28.041 -7.253 1.00 44.31 N ATOM 451 CA LEU A 31 -13.846 -26.611 -7.047 1.00 32.15 C ATOM 452 C LEU A 31 -13.119 -26.028 -8.272 1.00 60.05 C ATOM 453 O LEU A 31 -13.407 -24.908 -8.686 1.00 43.52 O ATOM 454 CB LEU A 31 -13.016 -26.400 -5.756 1.00 65.51 C ATOM 455 CG LEU A 31 -12.695 -24.915 -5.374 1.00 23.04 C ATOM 456 CD1 LEU A 31 -13.972 -24.106 -5.065 1.00 61.42 C ATOM 457 CD2 LEU A 31 -11.690 -24.844 -4.205 1.00 73.43 C ATOM 0 H LEU A 31 -13.613 -28.660 -6.631 1.00 44.31 H new ATOM 0 HA LEU A 31 -14.791 -26.081 -6.928 1.00 32.15 H new ATOM 0 HB2 LEU A 31 -13.552 -26.859 -4.925 1.00 65.51 H new ATOM 0 HB3 LEU A 31 -12.074 -26.937 -5.863 1.00 65.51 H new ATOM 0 HG LEU A 31 -12.230 -24.454 -6.245 1.00 23.04 H new ATOM 0 HD11 LEU A 31 -13.701 -23.083 -4.805 1.00 61.42 H new ATOM 0 HD12 LEU A 31 -14.619 -24.098 -5.942 1.00 61.42 H new ATOM 0 HD13 LEU A 31 -14.500 -24.565 -4.229 1.00 61.42 H new ATOM 0 HD21 LEU A 31 -11.487 -23.801 -3.963 1.00 73.43 H new ATOM 0 HD22 LEU A 31 -12.111 -25.344 -3.333 1.00 73.43 H new ATOM 0 HD23 LEU A 31 -10.762 -25.337 -4.493 1.00 73.43 H new ATOM 469 N MET A 32 -12.195 -26.818 -8.849 1.00 42.33 N ATOM 470 CA MET A 32 -11.474 -26.452 -10.092 1.00 12.12 C ATOM 471 C MET A 32 -12.456 -26.363 -11.271 1.00 14.32 C ATOM 472 O MET A 32 -12.332 -25.484 -12.129 1.00 63.35 O ATOM 473 CB MET A 32 -10.346 -27.479 -10.410 1.00 43.43 C ATOM 474 CG MET A 32 -9.264 -27.573 -9.331 1.00 41.21 C ATOM 475 SD MET A 32 -7.937 -28.728 -9.752 1.00 51.41 S ATOM 476 CE MET A 32 -6.864 -28.555 -8.317 1.00 51.44 C ATOM 0 H MET A 32 -11.924 -27.726 -8.472 1.00 42.33 H new ATOM 0 HA MET A 32 -11.012 -25.476 -9.939 1.00 12.12 H new ATOM 0 HB2 MET A 32 -10.794 -28.463 -10.547 1.00 43.43 H new ATOM 0 HB3 MET A 32 -9.878 -27.207 -11.356 1.00 43.43 H new ATOM 0 HG2 MET A 32 -8.837 -26.584 -9.166 1.00 41.21 H new ATOM 0 HG3 MET A 32 -9.722 -27.883 -8.392 1.00 41.21 H new ATOM 0 HE1 MET A 32 -5.998 -29.207 -8.429 1.00 51.44 H new ATOM 0 HE2 MET A 32 -6.531 -27.521 -8.235 1.00 51.44 H new ATOM 0 HE3 MET A 32 -7.413 -28.832 -7.417 1.00 51.44 H new ATOM 486 N VAL A 33 -13.437 -27.282 -11.278 1.00 23.05 N ATOM 487 CA VAL A 33 -14.502 -27.323 -12.292 1.00 24.51 C ATOM 488 C VAL A 33 -15.403 -26.074 -12.187 1.00 2.54 C ATOM 489 O VAL A 33 -15.816 -25.500 -13.205 1.00 52.31 O ATOM 490 CB VAL A 33 -15.364 -28.642 -12.156 1.00 24.41 C ATOM 491 CG1 VAL A 33 -16.533 -28.681 -13.163 1.00 13.15 C ATOM 492 CG2 VAL A 33 -14.477 -29.901 -12.301 1.00 41.34 C ATOM 0 H VAL A 33 -13.513 -28.019 -10.577 1.00 23.05 H new ATOM 0 HA VAL A 33 -14.030 -27.327 -13.275 1.00 24.51 H new ATOM 0 HB VAL A 33 -15.798 -28.636 -11.156 1.00 24.41 H new ATOM 0 HG11 VAL A 33 -17.096 -29.605 -13.031 1.00 13.15 H new ATOM 0 HG12 VAL A 33 -17.190 -27.828 -12.991 1.00 13.15 H new ATOM 0 HG13 VAL A 33 -16.140 -28.637 -14.179 1.00 13.15 H new ATOM 0 HG21 VAL A 33 -15.094 -30.794 -12.203 1.00 41.34 H new ATOM 0 HG22 VAL A 33 -13.997 -29.897 -13.279 1.00 41.34 H new ATOM 0 HG23 VAL A 33 -13.714 -29.900 -11.522 1.00 41.34 H new ATOM 502 N HIS A 34 -15.676 -25.646 -10.938 1.00 21.21 N ATOM 503 CA HIS A 34 -16.530 -24.473 -10.662 1.00 23.31 C ATOM 504 C HIS A 34 -15.797 -23.175 -11.038 1.00 5.53 C ATOM 505 O HIS A 34 -16.405 -22.274 -11.604 1.00 45.21 O ATOM 506 CB HIS A 34 -16.985 -24.434 -9.175 1.00 0.31 C ATOM 507 CG HIS A 34 -17.828 -25.618 -8.756 1.00 63.32 C ATOM 508 ND1 HIS A 34 -17.827 -26.129 -7.475 1.00 65.31 N ATOM 509 CD2 HIS A 34 -18.697 -26.393 -9.456 1.00 10.50 C ATOM 510 CE1 HIS A 34 -18.642 -27.164 -7.412 1.00 72.43 C ATOM 511 NE2 HIS A 34 -19.186 -27.343 -8.595 1.00 63.35 N ATOM 0 H HIS A 34 -15.314 -26.099 -10.099 1.00 21.21 H new ATOM 0 HA HIS A 34 -17.425 -24.561 -11.278 1.00 23.31 H new ATOM 0 HB2 HIS A 34 -16.102 -24.386 -8.537 1.00 0.31 H new ATOM 0 HB3 HIS A 34 -17.552 -23.519 -9.004 1.00 0.31 H new ATOM 0 HD2 HIS A 34 -18.955 -26.282 -10.499 1.00 10.50 H new ATOM 0 HE1 HIS A 34 -18.831 -27.764 -6.534 1.00 72.43 H new ATOM 0 HE2 HIS A 34 -19.861 -28.069 -8.834 1.00 63.35 H new ATOM 520 N LYS A 35 -14.485 -23.112 -10.739 1.00 73.33 N ATOM 521 CA LYS A 35 -13.619 -21.969 -11.111 1.00 14.52 C ATOM 522 C LYS A 35 -13.530 -21.835 -12.637 1.00 70.41 C ATOM 523 O LYS A 35 -13.521 -20.726 -13.169 1.00 30.22 O ATOM 524 CB LYS A 35 -12.184 -22.125 -10.527 1.00 0.34 C ATOM 525 CG LYS A 35 -12.089 -22.030 -8.990 1.00 15.11 C ATOM 526 CD LYS A 35 -10.633 -22.201 -8.501 1.00 42.13 C ATOM 527 CE LYS A 35 -10.498 -22.073 -6.979 1.00 24.44 C ATOM 528 NZ LYS A 35 -9.073 -22.130 -6.555 1.00 73.50 N ATOM 0 H LYS A 35 -13.993 -23.849 -10.234 1.00 73.33 H new ATOM 0 HA LYS A 35 -14.071 -21.071 -10.689 1.00 14.52 H new ATOM 0 HB2 LYS A 35 -11.783 -23.089 -10.841 1.00 0.34 H new ATOM 0 HB3 LYS A 35 -11.546 -21.357 -10.963 1.00 0.34 H new ATOM 0 HG2 LYS A 35 -12.474 -21.065 -8.660 1.00 15.11 H new ATOM 0 HG3 LYS A 35 -12.718 -22.796 -8.537 1.00 15.11 H new ATOM 0 HD2 LYS A 35 -10.262 -23.177 -8.813 1.00 42.13 H new ATOM 0 HD3 LYS A 35 -10.003 -21.452 -8.981 1.00 42.13 H new ATOM 0 HE2 LYS A 35 -10.940 -21.132 -6.651 1.00 24.44 H new ATOM 0 HE3 LYS A 35 -11.056 -22.874 -6.494 1.00 24.44 H new ATOM 0 HZ1 LYS A 35 -9.015 -22.041 -5.520 1.00 73.50 H new ATOM 0 HZ2 LYS A 35 -8.660 -23.038 -6.848 1.00 73.50 H new ATOM 0 HZ3 LYS A 35 -8.547 -21.351 -7.000 1.00 73.50 H new ATOM 542 N ARG A 36 -13.471 -22.992 -13.323 1.00 32.52 N ATOM 543 CA ARG A 36 -13.399 -23.063 -14.794 1.00 13.14 C ATOM 544 C ARG A 36 -14.698 -22.503 -15.400 1.00 43.34 C ATOM 545 O ARG A 36 -14.664 -21.706 -16.340 1.00 21.25 O ATOM 546 CB ARG A 36 -13.133 -24.542 -15.233 1.00 71.12 C ATOM 547 CG ARG A 36 -12.652 -24.757 -16.702 1.00 20.02 C ATOM 548 CD ARG A 36 -13.767 -24.674 -17.766 1.00 22.20 C ATOM 549 NE ARG A 36 -13.260 -24.926 -19.126 1.00 15.12 N ATOM 550 CZ ARG A 36 -13.992 -24.871 -20.253 1.00 35.43 C ATOM 551 NH1 ARG A 36 -15.292 -24.564 -20.218 1.00 53.44 N ATOM 552 NH2 ARG A 36 -13.423 -25.133 -21.420 1.00 33.13 N ATOM 0 H ARG A 36 -13.472 -23.906 -12.871 1.00 32.52 H new ATOM 0 HA ARG A 36 -12.573 -22.455 -15.163 1.00 13.14 H new ATOM 0 HB2 ARG A 36 -12.385 -24.967 -14.564 1.00 71.12 H new ATOM 0 HB3 ARG A 36 -14.051 -25.111 -15.088 1.00 71.12 H new ATOM 0 HG2 ARG A 36 -11.892 -24.011 -16.934 1.00 20.02 H new ATOM 0 HG3 ARG A 36 -12.173 -25.733 -16.773 1.00 20.02 H new ATOM 0 HD2 ARG A 36 -14.546 -25.399 -17.531 1.00 22.20 H new ATOM 0 HD3 ARG A 36 -14.229 -23.687 -17.729 1.00 22.20 H new ATOM 0 HE ARG A 36 -12.272 -25.162 -19.221 1.00 15.12 H new ATOM 0 HH11 ARG A 36 -15.746 -24.366 -19.326 1.00 53.44 H new ATOM 0 HH12 ARG A 36 -15.831 -24.527 -21.083 1.00 53.44 H new ATOM 0 HH21 ARG A 36 -12.433 -25.375 -21.462 1.00 33.13 H new ATOM 0 HH22 ARG A 36 -13.975 -25.092 -22.277 1.00 33.13 H new ATOM 566 N SER A 37 -15.833 -22.917 -14.819 1.00 11.12 N ATOM 567 CA SER A 37 -17.172 -22.454 -15.226 1.00 13.35 C ATOM 568 C SER A 37 -17.371 -20.960 -14.880 1.00 62.32 C ATOM 569 O SER A 37 -18.110 -20.251 -15.562 1.00 24.02 O ATOM 570 CB SER A 37 -18.252 -23.326 -14.534 1.00 1.25 C ATOM 571 OG SER A 37 -19.566 -23.008 -14.978 1.00 24.21 O ATOM 0 H SER A 37 -15.850 -23.586 -14.049 1.00 11.12 H new ATOM 0 HA SER A 37 -17.267 -22.557 -16.307 1.00 13.35 H new ATOM 0 HB2 SER A 37 -18.048 -24.378 -14.732 1.00 1.25 H new ATOM 0 HB3 SER A 37 -18.192 -23.187 -13.455 1.00 1.25 H new ATOM 0 HG SER A 37 -20.214 -23.581 -14.518 1.00 24.21 H new ATOM 577 N HIS A 38 -16.688 -20.503 -13.825 1.00 74.23 N ATOM 578 CA HIS A 38 -16.817 -19.133 -13.288 1.00 42.44 C ATOM 579 C HIS A 38 -15.608 -18.259 -13.711 1.00 63.43 C ATOM 580 O HIS A 38 -15.302 -17.256 -13.057 1.00 52.50 O ATOM 581 CB HIS A 38 -16.947 -19.228 -11.737 1.00 5.35 C ATOM 582 CG HIS A 38 -17.387 -17.972 -11.033 1.00 5.35 C ATOM 583 ND1 HIS A 38 -16.893 -17.592 -9.807 1.00 22.40 N ATOM 584 CD2 HIS A 38 -18.313 -17.039 -11.363 1.00 14.32 C ATOM 585 CE1 HIS A 38 -17.486 -16.483 -9.413 1.00 13.51 C ATOM 586 NE2 HIS A 38 -18.352 -16.128 -10.340 1.00 71.22 N ATOM 0 H HIS A 38 -16.020 -21.077 -13.310 1.00 74.23 H new ATOM 0 HA HIS A 38 -17.706 -18.651 -13.695 1.00 42.44 H new ATOM 0 HB2 HIS A 38 -17.656 -20.021 -11.500 1.00 5.35 H new ATOM 0 HB3 HIS A 38 -15.982 -19.530 -11.329 1.00 5.35 H new ATOM 0 HD2 HIS A 38 -18.909 -17.018 -12.264 1.00 14.32 H new ATOM 0 HE1 HIS A 38 -17.295 -15.956 -8.490 1.00 13.51 H new ATOM 0 HE2 HIS A 38 -18.955 -15.306 -10.302 1.00 71.22 H new ATOM 595 N THR A 39 -14.925 -18.645 -14.811 1.00 35.42 N ATOM 596 CA THR A 39 -13.807 -17.862 -15.367 1.00 53.22 C ATOM 597 C THR A 39 -14.357 -16.628 -16.113 1.00 63.45 C ATOM 598 O THR A 39 -14.655 -16.679 -17.310 1.00 4.54 O ATOM 599 CB THR A 39 -12.897 -18.726 -16.314 1.00 43.31 C ATOM 600 OG1 THR A 39 -12.451 -19.893 -15.616 1.00 63.55 O ATOM 601 CG2 THR A 39 -11.660 -17.945 -16.817 1.00 21.05 C ATOM 0 H THR A 39 -15.132 -19.498 -15.331 1.00 35.42 H new ATOM 0 HA THR A 39 -13.180 -17.533 -14.538 1.00 53.22 H new ATOM 0 HB THR A 39 -13.500 -18.997 -17.181 1.00 43.31 H new ATOM 0 HG1 THR A 39 -12.927 -19.966 -14.762 1.00 63.55 H new ATOM 0 HG21 THR A 39 -11.065 -18.586 -17.467 1.00 21.05 H new ATOM 0 HG22 THR A 39 -11.986 -17.066 -17.374 1.00 21.05 H new ATOM 0 HG23 THR A 39 -11.057 -17.631 -15.965 1.00 21.05 H new ATOM 609 N GLY A 40 -14.560 -15.539 -15.351 1.00 11.41 N ATOM 610 CA GLY A 40 -15.013 -14.271 -15.913 1.00 62.02 C ATOM 611 C GLY A 40 -13.913 -13.575 -16.693 1.00 53.01 C ATOM 612 O GLY A 40 -14.149 -13.042 -17.783 1.00 51.24 O ATOM 0 H GLY A 40 -14.415 -15.520 -14.342 1.00 11.41 H new ATOM 0 HA2 GLY A 40 -15.867 -14.448 -16.567 1.00 62.02 H new ATOM 0 HA3 GLY A 40 -15.357 -13.620 -15.110 1.00 62.02 H new ATOM 616 N GLU A 41 -12.694 -13.607 -16.130 1.00 74.34 N ATOM 617 CA GLU A 41 -11.513 -12.975 -16.728 1.00 31.31 C ATOM 618 C GLU A 41 -10.973 -13.853 -17.871 1.00 61.02 C ATOM 619 O GLU A 41 -10.394 -14.915 -17.621 1.00 62.11 O ATOM 620 CB GLU A 41 -10.388 -12.728 -15.673 1.00 24.12 C ATOM 621 CG GLU A 41 -10.755 -11.785 -14.501 1.00 52.14 C ATOM 622 CD GLU A 41 -11.663 -12.431 -13.439 1.00 4.34 C ATOM 623 OE1 GLU A 41 -11.141 -13.143 -12.554 1.00 33.14 O ATOM 624 OE2 GLU A 41 -12.898 -12.248 -13.488 1.00 14.24 O ATOM 0 H GLU A 41 -12.502 -14.074 -15.244 1.00 74.34 H new ATOM 0 HA GLU A 41 -11.819 -12.005 -17.120 1.00 31.31 H new ATOM 0 HB2 GLU A 41 -10.087 -13.690 -15.259 1.00 24.12 H new ATOM 0 HB3 GLU A 41 -9.519 -12.316 -16.187 1.00 24.12 H new ATOM 0 HG2 GLU A 41 -9.837 -11.444 -14.021 1.00 52.14 H new ATOM 0 HG3 GLU A 41 -11.253 -10.902 -14.901 1.00 52.14 H new ATOM 631 N ARG A 42 -11.241 -13.419 -19.113 1.00 43.22 N ATOM 632 CA ARG A 42 -10.660 -13.999 -20.339 1.00 64.44 C ATOM 633 C ARG A 42 -9.107 -13.989 -20.269 1.00 44.43 C ATOM 634 O ARG A 42 -8.499 -12.911 -20.259 1.00 3.35 O ATOM 635 CB ARG A 42 -11.171 -13.262 -21.625 1.00 43.53 C ATOM 636 CG ARG A 42 -10.970 -11.716 -21.676 1.00 40.12 C ATOM 637 CD ARG A 42 -12.016 -10.919 -20.870 1.00 55.54 C ATOM 638 NE ARG A 42 -11.774 -9.473 -20.941 1.00 72.22 N ATOM 639 CZ ARG A 42 -12.719 -8.517 -20.930 1.00 52.04 C ATOM 640 NH1 ARG A 42 -14.003 -8.818 -20.834 1.00 41.44 N ATOM 641 NH2 ARG A 42 -12.350 -7.248 -21.018 1.00 2.32 N ATOM 0 H ARG A 42 -11.877 -12.643 -19.299 1.00 43.22 H new ATOM 0 HA ARG A 42 -10.993 -15.035 -20.405 1.00 64.44 H new ATOM 0 HB2 ARG A 42 -10.669 -13.698 -22.489 1.00 43.53 H new ATOM 0 HB3 ARG A 42 -12.235 -13.470 -21.736 1.00 43.53 H new ATOM 0 HG2 ARG A 42 -9.976 -11.477 -21.298 1.00 40.12 H new ATOM 0 HG3 ARG A 42 -11.002 -11.390 -22.716 1.00 40.12 H new ATOM 0 HD2 ARG A 42 -13.013 -11.140 -21.251 1.00 55.54 H new ATOM 0 HD3 ARG A 42 -11.994 -11.240 -19.829 1.00 55.54 H new ATOM 0 HE ARG A 42 -10.803 -9.167 -21.004 1.00 72.22 H new ATOM 0 HH11 ARG A 42 -14.295 -9.793 -20.766 1.00 41.44 H new ATOM 0 HH12 ARG A 42 -14.702 -8.075 -20.828 1.00 41.44 H new ATOM 0 HH21 ARG A 42 -11.361 -7.008 -21.093 1.00 2.32 H new ATOM 0 HH22 ARG A 42 -13.054 -6.510 -21.011 1.00 2.32 H new ATOM 655 N PRO A 43 -8.445 -15.196 -20.178 1.00 45.14 N ATOM 656 CA PRO A 43 -6.988 -15.296 -19.977 1.00 0.41 C ATOM 657 C PRO A 43 -6.193 -14.965 -21.254 1.00 1.05 C ATOM 658 O PRO A 43 -5.822 -15.847 -22.040 1.00 12.15 O ATOM 659 CB PRO A 43 -6.798 -16.758 -19.513 1.00 72.42 C ATOM 660 CG PRO A 43 -7.904 -17.516 -20.178 1.00 74.25 C ATOM 661 CD PRO A 43 -9.077 -16.555 -20.261 1.00 12.41 C ATOM 0 HA PRO A 43 -6.608 -14.575 -19.253 1.00 0.41 H new ATOM 0 HB2 PRO A 43 -5.822 -17.143 -19.807 1.00 72.42 H new ATOM 0 HB3 PRO A 43 -6.859 -16.840 -18.428 1.00 72.42 H new ATOM 0 HG2 PRO A 43 -7.605 -17.853 -21.170 1.00 74.25 H new ATOM 0 HG3 PRO A 43 -8.167 -18.405 -19.605 1.00 74.25 H new ATOM 0 HD2 PRO A 43 -9.630 -16.681 -21.192 1.00 12.41 H new ATOM 0 HD3 PRO A 43 -9.783 -16.717 -19.446 1.00 12.41 H new ATOM 669 N PHE A 44 -5.981 -13.663 -21.474 1.00 40.10 N ATOM 670 CA PHE A 44 -5.180 -13.163 -22.601 1.00 45.23 C ATOM 671 C PHE A 44 -3.765 -12.802 -22.110 1.00 15.31 C ATOM 672 O PHE A 44 -3.338 -11.657 -22.184 1.00 10.51 O ATOM 673 CB PHE A 44 -5.893 -11.952 -23.289 1.00 72.25 C ATOM 674 CG PHE A 44 -7.219 -12.261 -23.989 1.00 65.12 C ATOM 675 CD1 PHE A 44 -7.519 -13.540 -24.465 1.00 42.03 C ATOM 676 CD2 PHE A 44 -8.165 -11.255 -24.181 1.00 13.11 C ATOM 677 CE1 PHE A 44 -8.711 -13.797 -25.111 1.00 41.51 C ATOM 678 CE2 PHE A 44 -9.357 -11.515 -24.830 1.00 44.24 C ATOM 679 CZ PHE A 44 -9.633 -12.783 -25.289 1.00 15.44 C ATOM 0 H PHE A 44 -6.358 -12.926 -20.878 1.00 40.10 H new ATOM 0 HA PHE A 44 -5.084 -13.944 -23.355 1.00 45.23 H new ATOM 0 HB2 PHE A 44 -6.073 -11.186 -22.535 1.00 72.25 H new ATOM 0 HB3 PHE A 44 -5.210 -11.523 -24.022 1.00 72.25 H new ATOM 0 HD1 PHE A 44 -6.807 -14.340 -24.325 1.00 42.03 H new ATOM 0 HD2 PHE A 44 -7.963 -10.258 -23.817 1.00 13.11 H new ATOM 0 HE1 PHE A 44 -8.923 -14.790 -25.477 1.00 41.51 H new ATOM 0 HE2 PHE A 44 -10.074 -10.721 -24.978 1.00 44.24 H new ATOM 0 HZ PHE A 44 -10.569 -12.985 -25.788 1.00 15.44 H new ATOM 689 N HIS A 45 -3.043 -13.799 -21.571 1.00 23.34 N ATOM 690 CA HIS A 45 -1.662 -13.608 -21.071 1.00 42.11 C ATOM 691 C HIS A 45 -0.660 -14.230 -22.048 1.00 5.01 C ATOM 692 O HIS A 45 -0.873 -15.342 -22.543 1.00 12.20 O ATOM 693 CB HIS A 45 -1.465 -14.259 -19.671 1.00 31.15 C ATOM 694 CG HIS A 45 -2.291 -13.681 -18.561 1.00 41.14 C ATOM 695 ND1 HIS A 45 -1.767 -13.339 -17.333 1.00 65.12 N ATOM 696 CD2 HIS A 45 -3.618 -13.453 -18.469 1.00 22.24 C ATOM 697 CE1 HIS A 45 -2.736 -12.928 -16.545 1.00 3.32 C ATOM 698 NE2 HIS A 45 -3.867 -12.983 -17.211 1.00 34.12 N ATOM 0 H HIS A 45 -3.391 -14.752 -21.468 1.00 23.34 H new ATOM 0 HA HIS A 45 -1.491 -12.535 -20.985 1.00 42.11 H new ATOM 0 HB2 HIS A 45 -1.691 -15.322 -19.751 1.00 31.15 H new ATOM 0 HB3 HIS A 45 -0.413 -14.176 -19.397 1.00 31.15 H new ATOM 0 HD2 HIS A 45 -4.349 -13.613 -19.248 1.00 22.24 H new ATOM 0 HE1 HIS A 45 -2.621 -12.600 -15.522 1.00 3.32 H new ATOM 0 HE2 HIS A 45 -4.782 -12.718 -16.848 1.00 34.12 H new ATOM 707 N CYS A 46 0.424 -13.498 -22.317 1.00 12.33 N ATOM 708 CA CYS A 46 1.606 -14.035 -22.992 1.00 24.54 C ATOM 709 C CYS A 46 2.521 -14.627 -21.905 1.00 64.13 C ATOM 710 O CYS A 46 3.179 -13.871 -21.166 1.00 14.52 O ATOM 711 CB CYS A 46 2.287 -12.921 -23.797 1.00 52.24 C ATOM 712 SG CYS A 46 3.579 -13.525 -24.892 1.00 14.00 S ATOM 0 H CYS A 46 0.506 -12.511 -22.071 1.00 12.33 H new ATOM 0 HA CYS A 46 1.351 -14.820 -23.704 1.00 24.54 H new ATOM 0 HB2 CYS A 46 1.535 -12.397 -24.387 1.00 52.24 H new ATOM 0 HB3 CYS A 46 2.715 -12.193 -23.108 1.00 52.24 H new ATOM 0 HG CYS A 46 4.678 -13.689 -24.217 1.00 14.00 H new ATOM 717 N ASN A 47 2.511 -15.979 -21.815 1.00 3.22 N ATOM 718 CA ASN A 47 3.000 -16.766 -20.655 1.00 31.04 C ATOM 719 C ASN A 47 4.343 -16.267 -20.062 1.00 14.01 C ATOM 720 O ASN A 47 4.349 -15.645 -18.991 1.00 34.20 O ATOM 721 CB ASN A 47 3.080 -18.269 -21.058 1.00 53.42 C ATOM 722 CG ASN A 47 3.629 -19.186 -19.948 1.00 4.45 C ATOM 723 OD1 ASN A 47 4.833 -19.461 -19.894 1.00 13.21 O ATOM 724 ND2 ASN A 47 2.763 -19.668 -19.069 1.00 31.33 N ATOM 0 H ASN A 47 2.153 -16.569 -22.567 1.00 3.22 H new ATOM 0 HA ASN A 47 2.279 -16.628 -19.849 1.00 31.04 H new ATOM 0 HB2 ASN A 47 2.085 -18.613 -21.340 1.00 53.42 H new ATOM 0 HB3 ASN A 47 3.712 -18.365 -21.941 1.00 53.42 H new ATOM 0 HD21 ASN A 47 3.084 -20.284 -18.322 1.00 31.33 H new ATOM 0 HD22 ASN A 47 1.775 -19.423 -19.139 1.00 31.33 H new ATOM 731 N GLN A 48 5.468 -16.482 -20.773 1.00 53.43 N ATOM 732 CA GLN A 48 6.821 -16.194 -20.224 1.00 3.53 C ATOM 733 C GLN A 48 7.197 -14.702 -20.298 1.00 45.10 C ATOM 734 O GLN A 48 8.251 -14.306 -19.804 1.00 70.34 O ATOM 735 CB GLN A 48 7.904 -17.080 -20.892 1.00 43.21 C ATOM 736 CG GLN A 48 8.099 -16.855 -22.400 1.00 71.21 C ATOM 737 CD GLN A 48 9.242 -17.711 -22.962 1.00 14.41 C ATOM 738 OE1 GLN A 48 10.388 -17.269 -23.015 1.00 71.21 O ATOM 739 NE2 GLN A 48 8.938 -18.939 -23.366 1.00 50.23 N ATOM 0 H GLN A 48 5.474 -16.852 -21.724 1.00 53.43 H new ATOM 0 HA GLN A 48 6.779 -16.448 -19.165 1.00 3.53 H new ATOM 0 HB2 GLN A 48 8.855 -16.904 -20.389 1.00 43.21 H new ATOM 0 HB3 GLN A 48 7.646 -18.126 -20.728 1.00 43.21 H new ATOM 0 HG2 GLN A 48 7.174 -17.094 -22.925 1.00 71.21 H new ATOM 0 HG3 GLN A 48 8.309 -15.802 -22.586 1.00 71.21 H new ATOM 0 HE21 GLN A 48 7.976 -19.272 -23.307 1.00 50.23 H new ATOM 0 HE22 GLN A 48 9.667 -19.549 -23.735 1.00 50.23 H new ATOM 748 N CYS A 49 6.338 -13.878 -20.917 1.00 30.44 N ATOM 749 CA CYS A 49 6.507 -12.410 -20.917 1.00 42.14 C ATOM 750 C CYS A 49 5.989 -11.818 -19.598 1.00 64.42 C ATOM 751 O CYS A 49 6.509 -10.805 -19.109 1.00 61.44 O ATOM 752 CB CYS A 49 5.738 -11.789 -22.101 1.00 74.35 C ATOM 753 SG CYS A 49 6.290 -12.367 -23.718 1.00 23.42 S ATOM 0 H CYS A 49 5.516 -14.201 -21.427 1.00 30.44 H new ATOM 0 HA CYS A 49 7.568 -12.181 -21.019 1.00 42.14 H new ATOM 0 HB2 CYS A 49 4.677 -12.013 -21.989 1.00 74.35 H new ATOM 0 HB3 CYS A 49 5.841 -10.705 -22.059 1.00 74.35 H new ATOM 0 HG CYS A 49 5.313 -12.269 -24.570 1.00 23.42 H new ATOM 758 N GLY A 50 4.951 -12.468 -19.042 1.00 3.20 N ATOM 759 CA GLY A 50 4.260 -11.964 -17.860 1.00 42.32 C ATOM 760 C GLY A 50 3.357 -10.789 -18.194 1.00 34.22 C ATOM 761 O GLY A 50 3.036 -9.970 -17.330 1.00 50.33 O ATOM 0 H GLY A 50 4.577 -13.347 -19.400 1.00 3.20 H new ATOM 0 HA2 GLY A 50 3.667 -12.764 -17.417 1.00 42.32 H new ATOM 0 HA3 GLY A 50 4.993 -11.659 -17.113 1.00 42.32 H new ATOM 765 N ALA A 51 2.962 -10.716 -19.476 1.00 0.01 N ATOM 766 CA ALA A 51 2.143 -9.633 -20.011 1.00 20.13 C ATOM 767 C ALA A 51 0.661 -10.016 -19.938 1.00 23.11 C ATOM 768 O ALA A 51 0.173 -10.806 -20.761 1.00 54.22 O ATOM 769 CB ALA A 51 2.572 -9.305 -21.449 1.00 73.35 C ATOM 0 H ALA A 51 3.209 -11.419 -20.172 1.00 0.01 H new ATOM 0 HA ALA A 51 2.289 -8.736 -19.409 1.00 20.13 H new ATOM 0 HB1 ALA A 51 1.954 -8.496 -21.837 1.00 73.35 H new ATOM 0 HB2 ALA A 51 3.618 -8.998 -21.456 1.00 73.35 H new ATOM 0 HB3 ALA A 51 2.449 -10.188 -22.076 1.00 73.35 H new ATOM 775 N SER A 52 -0.037 -9.488 -18.919 1.00 62.35 N ATOM 776 CA SER A 52 -1.479 -9.700 -18.750 1.00 52.52 C ATOM 777 C SER A 52 -2.257 -8.724 -19.643 1.00 12.41 C ATOM 778 O SER A 52 -2.000 -7.511 -19.618 1.00 30.35 O ATOM 779 CB SER A 52 -1.892 -9.502 -17.272 1.00 23.05 C ATOM 780 OG SER A 52 -3.274 -9.765 -17.078 1.00 43.14 O ATOM 0 H SER A 52 0.382 -8.906 -18.194 1.00 62.35 H new ATOM 0 HA SER A 52 -1.714 -10.724 -19.041 1.00 52.52 H new ATOM 0 HB2 SER A 52 -1.302 -10.163 -16.637 1.00 23.05 H new ATOM 0 HB3 SER A 52 -1.668 -8.481 -16.964 1.00 23.05 H new ATOM 0 HG SER A 52 -3.503 -9.633 -16.134 1.00 43.14 H new ATOM 786 N PHE A 53 -3.186 -9.258 -20.445 1.00 44.41 N ATOM 787 CA PHE A 53 -4.135 -8.458 -21.233 1.00 14.01 C ATOM 788 C PHE A 53 -5.550 -8.918 -20.904 1.00 41.32 C ATOM 789 O PHE A 53 -5.791 -10.103 -20.648 1.00 22.31 O ATOM 790 CB PHE A 53 -3.860 -8.591 -22.757 1.00 43.14 C ATOM 791 CG PHE A 53 -2.421 -8.253 -23.145 1.00 34.10 C ATOM 792 CD1 PHE A 53 -1.983 -6.931 -23.179 1.00 23.25 C ATOM 793 CD2 PHE A 53 -1.502 -9.256 -23.456 1.00 42.15 C ATOM 794 CE1 PHE A 53 -0.679 -6.621 -23.517 1.00 50.34 C ATOM 795 CE2 PHE A 53 -0.202 -8.946 -23.791 1.00 11.32 C ATOM 796 CZ PHE A 53 0.209 -7.626 -23.823 1.00 31.34 C ATOM 0 H PHE A 53 -3.302 -10.264 -20.567 1.00 44.41 H new ATOM 0 HA PHE A 53 -4.015 -7.406 -20.975 1.00 14.01 H new ATOM 0 HB2 PHE A 53 -4.084 -9.610 -23.072 1.00 43.14 H new ATOM 0 HB3 PHE A 53 -4.539 -7.934 -23.300 1.00 43.14 H new ATOM 0 HD1 PHE A 53 -2.673 -6.136 -22.938 1.00 23.25 H new ATOM 0 HD2 PHE A 53 -1.814 -10.290 -23.434 1.00 42.15 H new ATOM 0 HE1 PHE A 53 -0.358 -5.590 -23.541 1.00 50.34 H new ATOM 0 HE2 PHE A 53 0.497 -9.735 -24.029 1.00 11.32 H new ATOM 0 HZ PHE A 53 1.228 -7.384 -24.088 1.00 31.34 H new ATOM 806 N THR A 54 -6.467 -7.965 -20.869 1.00 54.12 N ATOM 807 CA THR A 54 -7.903 -8.232 -20.756 1.00 11.33 C ATOM 808 C THR A 54 -8.560 -8.032 -22.133 1.00 60.32 C ATOM 809 O THR A 54 -9.590 -8.624 -22.433 1.00 12.41 O ATOM 810 CB THR A 54 -8.560 -7.319 -19.667 1.00 64.04 C ATOM 811 OG1 THR A 54 -9.961 -7.598 -19.557 1.00 63.32 O ATOM 812 CG2 THR A 54 -8.357 -5.821 -19.955 1.00 51.12 C ATOM 0 H THR A 54 -6.239 -6.972 -20.918 1.00 54.12 H new ATOM 0 HA THR A 54 -8.057 -9.263 -20.438 1.00 11.33 H new ATOM 0 HB THR A 54 -8.062 -7.548 -18.725 1.00 64.04 H new ATOM 0 HG1 THR A 54 -10.357 -7.020 -18.871 1.00 63.32 H new ATOM 0 HG21 THR A 54 -8.832 -5.232 -19.170 1.00 51.12 H new ATOM 0 HG22 THR A 54 -7.291 -5.597 -19.982 1.00 51.12 H new ATOM 0 HG23 THR A 54 -8.805 -5.571 -20.917 1.00 51.12 H new ATOM 820 N GLN A 55 -7.925 -7.207 -22.981 1.00 35.31 N ATOM 821 CA GLN A 55 -8.417 -6.900 -24.326 1.00 2.43 C ATOM 822 C GLN A 55 -7.648 -7.725 -25.363 1.00 14.54 C ATOM 823 O GLN A 55 -6.405 -7.771 -25.330 1.00 62.13 O ATOM 824 CB GLN A 55 -8.277 -5.383 -24.610 1.00 74.23 C ATOM 825 CG GLN A 55 -9.046 -4.478 -23.621 1.00 71.30 C ATOM 826 CD GLN A 55 -10.552 -4.784 -23.544 1.00 3.42 C ATOM 827 OE1 GLN A 55 -11.168 -5.223 -24.515 1.00 14.32 O ATOM 828 NE2 GLN A 55 -11.151 -4.547 -22.393 1.00 72.33 N ATOM 0 H GLN A 55 -7.052 -6.734 -22.748 1.00 35.31 H new ATOM 0 HA GLN A 55 -9.473 -7.163 -24.392 1.00 2.43 H new ATOM 0 HB2 GLN A 55 -7.221 -5.116 -24.583 1.00 74.23 H new ATOM 0 HB3 GLN A 55 -8.631 -5.180 -25.621 1.00 74.23 H new ATOM 0 HG2 GLN A 55 -8.611 -4.588 -22.628 1.00 71.30 H new ATOM 0 HG3 GLN A 55 -8.910 -3.437 -23.914 1.00 71.30 H new ATOM 0 HE21 GLN A 55 -10.616 -4.183 -21.605 1.00 72.33 H new ATOM 0 HE22 GLN A 55 -12.150 -4.728 -22.291 1.00 72.33 H new ATOM 837 N LYS A 56 -8.398 -8.368 -26.279 1.00 14.45 N ATOM 838 CA LYS A 56 -7.827 -9.198 -27.358 1.00 1.43 C ATOM 839 C LYS A 56 -6.986 -8.357 -28.317 1.00 42.53 C ATOM 840 O LYS A 56 -5.990 -8.838 -28.794 1.00 62.33 O ATOM 841 CB LYS A 56 -8.939 -9.973 -28.121 1.00 43.21 C ATOM 842 CG LYS A 56 -10.041 -9.092 -28.743 1.00 44.12 C ATOM 843 CD LYS A 56 -11.065 -9.897 -29.578 1.00 34.44 C ATOM 844 CE LYS A 56 -10.426 -10.611 -30.783 1.00 75.12 C ATOM 845 NZ LYS A 56 -11.455 -11.236 -31.670 1.00 64.11 N ATOM 0 H LYS A 56 -9.417 -8.327 -26.292 1.00 14.45 H new ATOM 0 HA LYS A 56 -7.168 -9.933 -26.895 1.00 1.43 H new ATOM 0 HB2 LYS A 56 -8.473 -10.559 -28.913 1.00 43.21 H new ATOM 0 HB3 LYS A 56 -9.405 -10.679 -27.434 1.00 43.21 H new ATOM 0 HG2 LYS A 56 -10.566 -8.563 -27.948 1.00 44.12 H new ATOM 0 HG3 LYS A 56 -9.578 -8.336 -29.378 1.00 44.12 H new ATOM 0 HD2 LYS A 56 -11.547 -10.636 -28.938 1.00 34.44 H new ATOM 0 HD3 LYS A 56 -11.846 -9.224 -29.933 1.00 34.44 H new ATOM 0 HE2 LYS A 56 -9.837 -9.897 -31.358 1.00 75.12 H new ATOM 0 HE3 LYS A 56 -9.738 -11.378 -30.428 1.00 75.12 H new ATOM 0 HZ1 LYS A 56 -10.985 -11.707 -32.469 1.00 64.11 H new ATOM 0 HZ2 LYS A 56 -12.001 -11.936 -31.129 1.00 64.11 H new ATOM 0 HZ3 LYS A 56 -12.096 -10.500 -32.030 1.00 64.11 H new ATOM 859 N GLY A 57 -7.373 -7.088 -28.548 1.00 13.02 N ATOM 860 CA GLY A 57 -6.615 -6.185 -29.431 1.00 73.42 C ATOM 861 C GLY A 57 -5.170 -5.984 -28.974 1.00 25.40 C ATOM 862 O GLY A 57 -4.242 -5.930 -29.795 1.00 60.31 O ATOM 0 H GLY A 57 -8.205 -6.667 -28.135 1.00 13.02 H new ATOM 0 HA2 GLY A 57 -6.618 -6.588 -30.444 1.00 73.42 H new ATOM 0 HA3 GLY A 57 -7.116 -5.218 -29.471 1.00 73.42 H new ATOM 866 N ASN A 58 -4.988 -5.910 -27.646 1.00 60.04 N ATOM 867 CA ASN A 58 -3.668 -5.725 -27.012 1.00 41.32 C ATOM 868 C ASN A 58 -2.841 -7.027 -27.054 1.00 64.43 C ATOM 869 O ASN A 58 -1.615 -6.980 -27.237 1.00 72.32 O ATOM 870 CB ASN A 58 -3.857 -5.232 -25.556 1.00 65.41 C ATOM 871 CG ASN A 58 -4.512 -3.843 -25.442 1.00 43.13 C ATOM 872 OD1 ASN A 58 -5.321 -3.599 -24.552 1.00 32.41 O ATOM 873 ND2 ASN A 58 -4.138 -2.901 -26.309 1.00 1.25 N ATOM 0 H ASN A 58 -5.755 -5.977 -26.977 1.00 60.04 H new ATOM 0 HA ASN A 58 -3.112 -4.972 -27.571 1.00 41.32 H new ATOM 0 HB2 ASN A 58 -4.468 -5.955 -25.015 1.00 65.41 H new ATOM 0 HB3 ASN A 58 -2.885 -5.205 -25.064 1.00 65.41 H new ATOM 0 HD21 ASN A 58 -4.526 -1.960 -26.238 1.00 1.25 H new ATOM 0 HD22 ASN A 58 -3.464 -3.121 -27.043 1.00 1.25 H new ATOM 880 N LEU A 59 -3.520 -8.181 -26.878 1.00 32.32 N ATOM 881 CA LEU A 59 -2.871 -9.509 -26.962 1.00 23.14 C ATOM 882 C LEU A 59 -2.410 -9.802 -28.403 1.00 1.03 C ATOM 883 O LEU A 59 -1.263 -10.188 -28.631 1.00 25.33 O ATOM 884 CB LEU A 59 -3.826 -10.649 -26.498 1.00 72.33 C ATOM 885 CG LEU A 59 -3.220 -12.100 -26.555 1.00 4.14 C ATOM 886 CD1 LEU A 59 -2.124 -12.307 -25.485 1.00 31.02 C ATOM 887 CD2 LEU A 59 -4.314 -13.187 -26.470 1.00 1.00 C ATOM 0 H LEU A 59 -4.519 -8.220 -26.676 1.00 32.32 H new ATOM 0 HA LEU A 59 -2.008 -9.480 -26.296 1.00 23.14 H new ATOM 0 HB2 LEU A 59 -4.139 -10.444 -25.474 1.00 72.33 H new ATOM 0 HB3 LEU A 59 -4.723 -10.623 -27.117 1.00 72.33 H new ATOM 0 HG LEU A 59 -2.742 -12.205 -27.529 1.00 4.14 H new ATOM 0 HD11 LEU A 59 -1.731 -13.321 -25.558 1.00 31.02 H new ATOM 0 HD12 LEU A 59 -1.317 -11.593 -25.648 1.00 31.02 H new ATOM 0 HD13 LEU A 59 -2.550 -12.153 -24.493 1.00 31.02 H new ATOM 0 HD21 LEU A 59 -3.851 -14.173 -26.513 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -4.859 -13.082 -25.532 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -5.005 -13.074 -27.305 1.00 1.00 H new ATOM 899 N LEU A 60 -3.336 -9.602 -29.360 1.00 75.04 N ATOM 900 CA LEU A 60 -3.127 -9.889 -30.791 1.00 14.32 C ATOM 901 C LEU A 60 -1.978 -9.049 -31.347 1.00 2.11 C ATOM 902 O LEU A 60 -1.211 -9.521 -32.190 1.00 34.40 O ATOM 903 CB LEU A 60 -4.424 -9.624 -31.613 1.00 23.43 C ATOM 904 CG LEU A 60 -5.662 -10.527 -31.306 1.00 32.41 C ATOM 905 CD1 LEU A 60 -6.830 -10.221 -32.279 1.00 41.04 C ATOM 906 CD2 LEU A 60 -5.292 -12.024 -31.311 1.00 63.22 C ATOM 0 H LEU A 60 -4.264 -9.231 -29.157 1.00 75.04 H new ATOM 0 HA LEU A 60 -2.871 -10.944 -30.882 1.00 14.32 H new ATOM 0 HB2 LEU A 60 -4.716 -8.586 -31.457 1.00 23.43 H new ATOM 0 HB3 LEU A 60 -4.182 -9.731 -32.670 1.00 23.43 H new ATOM 0 HG LEU A 60 -6.002 -10.289 -30.298 1.00 32.41 H new ATOM 0 HD11 LEU A 60 -7.678 -10.864 -32.043 1.00 41.04 H new ATOM 0 HD12 LEU A 60 -7.126 -9.177 -32.176 1.00 41.04 H new ATOM 0 HD13 LEU A 60 -6.508 -10.407 -33.304 1.00 41.04 H new ATOM 0 HD21 LEU A 60 -6.179 -12.619 -31.094 1.00 63.22 H new ATOM 0 HD22 LEU A 60 -4.902 -12.299 -32.291 1.00 63.22 H new ATOM 0 HD23 LEU A 60 -4.533 -12.214 -30.552 1.00 63.22 H new ATOM 918 N ARG A 61 -1.885 -7.795 -30.863 1.00 33.25 N ATOM 919 CA ARG A 61 -0.761 -6.904 -31.174 1.00 13.41 C ATOM 920 C ARG A 61 0.555 -7.517 -30.662 1.00 5.01 C ATOM 921 O ARG A 61 1.475 -7.735 -31.435 1.00 63.25 O ATOM 922 CB ARG A 61 -0.983 -5.503 -30.529 1.00 52.24 C ATOM 923 CG ARG A 61 0.208 -4.532 -30.704 1.00 62.41 C ATOM 924 CD ARG A 61 0.026 -3.201 -29.952 1.00 71.11 C ATOM 925 NE ARG A 61 -1.093 -2.389 -30.466 1.00 45.05 N ATOM 926 CZ ARG A 61 -1.666 -1.360 -29.802 1.00 14.34 C ATOM 927 NH1 ARG A 61 -1.246 -0.999 -28.587 1.00 10.32 N ATOM 928 NH2 ARG A 61 -2.645 -0.674 -30.383 1.00 31.33 N ATOM 0 H ARG A 61 -2.585 -7.377 -30.249 1.00 33.25 H new ATOM 0 HA ARG A 61 -0.701 -6.784 -32.256 1.00 13.41 H new ATOM 0 HB2 ARG A 61 -1.874 -5.051 -30.965 1.00 52.24 H new ATOM 0 HB3 ARG A 61 -1.180 -5.632 -29.465 1.00 52.24 H new ATOM 0 HG2 ARG A 61 1.118 -5.018 -30.353 1.00 62.41 H new ATOM 0 HG3 ARG A 61 0.346 -4.325 -31.765 1.00 62.41 H new ATOM 0 HD2 ARG A 61 -0.140 -3.409 -28.895 1.00 71.11 H new ATOM 0 HD3 ARG A 61 0.947 -2.623 -30.022 1.00 71.11 H new ATOM 0 HE ARG A 61 -1.461 -2.620 -31.389 1.00 45.05 H new ATOM 0 HH11 ARG A 61 -0.479 -1.503 -28.142 1.00 10.32 H new ATOM 0 HH12 ARG A 61 -1.692 -0.220 -28.104 1.00 10.32 H new ATOM 0 HH21 ARG A 61 -2.957 -0.926 -31.321 1.00 31.33 H new ATOM 0 HH22 ARG A 61 -3.084 0.104 -29.891 1.00 31.33 H new ATOM 942 N HIS A 62 0.580 -7.835 -29.358 1.00 45.45 N ATOM 943 CA HIS A 62 1.785 -8.292 -28.629 1.00 44.35 C ATOM 944 C HIS A 62 2.402 -9.566 -29.254 1.00 64.03 C ATOM 945 O HIS A 62 3.608 -9.606 -29.549 1.00 24.25 O ATOM 946 CB HIS A 62 1.396 -8.539 -27.147 1.00 63.50 C ATOM 947 CG HIS A 62 2.499 -9.034 -26.244 1.00 53.43 C ATOM 948 ND1 HIS A 62 3.226 -8.221 -25.408 1.00 10.05 N ATOM 949 CD2 HIS A 62 2.955 -10.291 -26.024 1.00 14.14 C ATOM 950 CE1 HIS A 62 4.082 -8.988 -24.725 1.00 2.41 C ATOM 951 NE2 HIS A 62 3.960 -10.256 -25.059 1.00 52.12 N ATOM 0 H HIS A 62 -0.249 -7.782 -28.766 1.00 45.45 H new ATOM 0 HA HIS A 62 2.550 -7.518 -28.696 1.00 44.35 H new ATOM 0 HB2 HIS A 62 1.007 -7.608 -26.735 1.00 63.50 H new ATOM 0 HB3 HIS A 62 0.582 -9.263 -27.122 1.00 63.50 H new ATOM 0 HD1 HIS A 62 3.129 -7.209 -25.323 1.00 10.05 H new ATOM 0 HD2 HIS A 62 2.596 -11.181 -26.519 1.00 14.14 H new ATOM 0 HE1 HIS A 62 4.784 -8.615 -23.993 1.00 2.41 H new ATOM 959 N ILE A 63 1.560 -10.593 -29.451 1.00 34.44 N ATOM 960 CA ILE A 63 1.987 -11.905 -29.989 1.00 2.41 C ATOM 961 C ILE A 63 2.464 -11.780 -31.455 1.00 40.05 C ATOM 962 O ILE A 63 3.283 -12.581 -31.929 1.00 1.42 O ATOM 963 CB ILE A 63 0.837 -12.981 -29.868 1.00 43.43 C ATOM 964 CG1 ILE A 63 -0.403 -12.608 -30.751 1.00 53.31 C ATOM 965 CG2 ILE A 63 0.425 -13.163 -28.391 1.00 52.14 C ATOM 966 CD1 ILE A 63 -1.546 -13.621 -30.735 1.00 1.43 C ATOM 0 H ILE A 63 0.563 -10.542 -29.243 1.00 34.44 H new ATOM 0 HA ILE A 63 2.829 -12.244 -29.385 1.00 2.41 H new ATOM 0 HB ILE A 63 1.227 -13.928 -30.242 1.00 43.43 H new ATOM 0 HG12 ILE A 63 -0.789 -11.645 -30.417 1.00 53.31 H new ATOM 0 HG13 ILE A 63 -0.069 -12.478 -31.780 1.00 53.31 H new ATOM 0 HG21 ILE A 63 -0.368 -13.907 -28.324 1.00 52.14 H new ATOM 0 HG22 ILE A 63 1.286 -13.497 -27.812 1.00 52.14 H new ATOM 0 HG23 ILE A 63 0.066 -12.214 -27.994 1.00 52.14 H new ATOM 0 HD11 ILE A 63 -2.353 -13.269 -31.377 1.00 1.43 H new ATOM 0 HD12 ILE A 63 -1.185 -14.582 -31.100 1.00 1.43 H new ATOM 0 HD13 ILE A 63 -1.916 -13.736 -29.716 1.00 1.43 H new ATOM 978 N LYS A 64 1.923 -10.769 -32.159 1.00 40.14 N ATOM 979 CA LYS A 64 2.314 -10.434 -33.534 1.00 65.04 C ATOM 980 C LYS A 64 3.702 -9.753 -33.544 1.00 64.12 C ATOM 981 O LYS A 64 4.544 -10.068 -34.391 1.00 24.03 O ATOM 982 CB LYS A 64 1.234 -9.512 -34.155 1.00 34.11 C ATOM 983 CG LYS A 64 1.435 -9.158 -35.644 1.00 2.51 C ATOM 984 CD LYS A 64 0.471 -8.049 -36.133 1.00 35.32 C ATOM 985 CE LYS A 64 0.674 -6.726 -35.378 1.00 22.01 C ATOM 986 NZ LYS A 64 -0.228 -5.658 -35.881 1.00 51.25 N ATOM 0 H LYS A 64 1.197 -10.159 -31.784 1.00 40.14 H new ATOM 0 HA LYS A 64 2.388 -11.343 -34.130 1.00 65.04 H new ATOM 0 HB2 LYS A 64 0.263 -9.993 -34.042 1.00 34.11 H new ATOM 0 HB3 LYS A 64 1.199 -8.586 -33.581 1.00 34.11 H new ATOM 0 HG2 LYS A 64 2.464 -8.833 -35.800 1.00 2.51 H new ATOM 0 HG3 LYS A 64 1.288 -10.053 -36.248 1.00 2.51 H new ATOM 0 HD2 LYS A 64 0.623 -7.883 -37.200 1.00 35.32 H new ATOM 0 HD3 LYS A 64 -0.559 -8.383 -36.006 1.00 35.32 H new ATOM 0 HE2 LYS A 64 0.493 -6.883 -34.315 1.00 22.01 H new ATOM 0 HE3 LYS A 64 1.710 -6.404 -35.481 1.00 22.01 H new ATOM 0 HZ1 LYS A 64 -0.060 -4.782 -35.346 1.00 51.25 H new ATOM 0 HZ2 LYS A 64 -0.038 -5.490 -36.890 1.00 51.25 H new ATOM 0 HZ3 LYS A 64 -1.218 -5.954 -35.760 1.00 51.25 H new ATOM 1000 N LEU A 65 3.931 -8.843 -32.563 1.00 51.10 N ATOM 1001 CA LEU A 65 5.203 -8.085 -32.422 1.00 14.54 C ATOM 1002 C LEU A 65 6.390 -9.019 -32.101 1.00 40.14 C ATOM 1003 O LEU A 65 7.541 -8.699 -32.413 1.00 32.31 O ATOM 1004 CB LEU A 65 5.095 -6.994 -31.313 1.00 75.02 C ATOM 1005 CG LEU A 65 3.997 -5.898 -31.492 1.00 12.33 C ATOM 1006 CD1 LEU A 65 4.011 -4.891 -30.322 1.00 3.15 C ATOM 1007 CD2 LEU A 65 4.117 -5.180 -32.848 1.00 13.22 C ATOM 0 H LEU A 65 3.241 -8.614 -31.848 1.00 51.10 H new ATOM 0 HA LEU A 65 5.384 -7.602 -33.382 1.00 14.54 H new ATOM 0 HB2 LEU A 65 4.919 -7.496 -30.362 1.00 75.02 H new ATOM 0 HB3 LEU A 65 6.061 -6.495 -31.236 1.00 75.02 H new ATOM 0 HG LEU A 65 3.033 -6.407 -31.482 1.00 12.33 H new ATOM 0 HD11 LEU A 65 3.235 -4.142 -30.478 1.00 3.15 H new ATOM 0 HD12 LEU A 65 3.824 -5.418 -29.386 1.00 3.15 H new ATOM 0 HD13 LEU A 65 4.984 -4.401 -30.275 1.00 3.15 H new ATOM 0 HD21 LEU A 65 3.334 -4.426 -32.931 1.00 13.22 H new ATOM 0 HD22 LEU A 65 5.093 -4.700 -32.920 1.00 13.22 H new ATOM 0 HD23 LEU A 65 4.009 -5.905 -33.655 1.00 13.22 H new ATOM 1019 N HIS A 66 6.089 -10.174 -31.455 1.00 24.42 N ATOM 1020 CA HIS A 66 7.094 -11.230 -31.156 1.00 11.22 C ATOM 1021 C HIS A 66 7.687 -11.829 -32.439 1.00 43.13 C ATOM 1022 O HIS A 66 8.880 -12.128 -32.508 1.00 73.41 O ATOM 1023 CB HIS A 66 6.480 -12.355 -30.274 1.00 23.34 C ATOM 1024 CG HIS A 66 6.291 -11.963 -28.833 1.00 3.10 C ATOM 1025 ND1 HIS A 66 7.185 -11.192 -28.116 1.00 44.44 N ATOM 1026 CD2 HIS A 66 5.342 -12.347 -27.949 1.00 1.23 C ATOM 1027 CE1 HIS A 66 6.763 -11.126 -26.859 1.00 35.34 C ATOM 1028 NE2 HIS A 66 5.637 -11.811 -26.696 1.00 12.12 N ATOM 0 H HIS A 66 5.150 -10.400 -31.128 1.00 24.42 H new ATOM 0 HA HIS A 66 7.902 -10.753 -30.601 1.00 11.22 H new ATOM 0 HB2 HIS A 66 5.516 -12.645 -30.691 1.00 23.34 H new ATOM 0 HB3 HIS A 66 7.125 -13.233 -30.320 1.00 23.34 H new ATOM 0 HD1 HIS A 66 8.025 -10.749 -28.488 1.00 44.44 H new ATOM 0 HD2 HIS A 66 4.490 -12.970 -28.178 1.00 1.23 H new ATOM 0 HE1 HIS A 66 7.269 -10.586 -26.072 1.00 35.34 H new ATOM 1036 N SER A 67 6.829 -11.991 -33.442 1.00 24.12 N ATOM 1037 CA SER A 67 7.222 -12.491 -34.768 1.00 71.23 C ATOM 1038 C SER A 67 7.746 -11.353 -35.678 1.00 42.51 C ATOM 1039 O SER A 67 8.130 -11.614 -36.823 1.00 3.34 O ATOM 1040 CB SER A 67 6.010 -13.189 -35.423 1.00 31.11 C ATOM 1041 OG SER A 67 5.480 -14.197 -34.569 1.00 12.34 O ATOM 0 H SER A 67 5.834 -11.780 -33.363 1.00 24.12 H new ATOM 0 HA SER A 67 8.038 -13.203 -34.642 1.00 71.23 H new ATOM 0 HB2 SER A 67 5.238 -12.452 -35.645 1.00 31.11 H new ATOM 0 HB3 SER A 67 6.310 -13.632 -36.372 1.00 31.11 H new ATOM 0 HG SER A 67 5.802 -15.075 -34.861 1.00 12.34 H new ATOM 1047 N GLY A 68 7.768 -10.108 -35.144 1.00 33.32 N ATOM 1048 CA GLY A 68 8.110 -8.910 -35.917 1.00 41.44 C ATOM 1049 C GLY A 68 7.081 -8.653 -37.005 1.00 2.21 C ATOM 1050 O GLY A 68 7.443 -8.463 -38.168 1.00 33.31 O ATOM 0 H GLY A 68 7.548 -9.916 -34.167 1.00 33.32 H new ATOM 0 HA2 GLY A 68 8.165 -8.048 -35.253 1.00 41.44 H new ATOM 0 HA3 GLY A 68 9.096 -9.031 -36.365 1.00 41.44 H new ATOM 1054 N GLU A 69 5.792 -8.682 -36.583 1.00 21.54 N ATOM 1055 CA GLU A 69 4.596 -8.685 -37.452 1.00 10.52 C ATOM 1056 C GLU A 69 4.463 -10.032 -38.198 1.00 15.31 C ATOM 1057 O GLU A 69 5.451 -10.595 -38.670 1.00 72.22 O ATOM 1058 CB GLU A 69 4.552 -7.478 -38.432 1.00 51.41 C ATOM 1059 CG GLU A 69 3.284 -7.415 -39.315 1.00 63.12 C ATOM 1060 CD GLU A 69 3.251 -6.198 -40.256 1.00 71.25 C ATOM 1061 OE1 GLU A 69 2.774 -5.122 -39.837 1.00 2.33 O ATOM 1062 OE2 GLU A 69 3.683 -6.313 -41.427 1.00 1.45 O ATOM 0 H GLU A 69 5.552 -8.705 -35.592 1.00 21.54 H new ATOM 0 HA GLU A 69 3.731 -8.569 -36.799 1.00 10.52 H new ATOM 0 HB2 GLU A 69 4.624 -6.556 -37.856 1.00 51.41 H new ATOM 0 HB3 GLU A 69 5.428 -7.519 -39.079 1.00 51.41 H new ATOM 0 HG2 GLU A 69 3.220 -8.326 -39.910 1.00 63.12 H new ATOM 0 HG3 GLU A 69 2.404 -7.391 -38.672 1.00 63.12 H new ATOM 1069 N LYS A 70 3.224 -10.541 -38.303 1.00 23.14 N ATOM 1070 CA LYS A 70 2.946 -11.865 -38.880 1.00 52.14 C ATOM 1071 C LYS A 70 1.582 -11.866 -39.601 1.00 11.33 C ATOM 1072 O LYS A 70 0.713 -11.052 -39.270 1.00 4.11 O ATOM 1073 CB LYS A 70 3.003 -12.939 -37.754 1.00 52.44 C ATOM 1074 CG LYS A 70 1.875 -12.857 -36.690 1.00 53.34 C ATOM 1075 CD LYS A 70 2.184 -13.706 -35.427 1.00 13.13 C ATOM 1076 CE LYS A 70 2.459 -15.188 -35.744 1.00 34.44 C ATOM 1077 NZ LYS A 70 3.055 -15.909 -34.579 1.00 44.30 N ATOM 0 H LYS A 70 2.389 -10.046 -37.990 1.00 23.14 H new ATOM 0 HA LYS A 70 3.704 -12.106 -39.626 1.00 52.14 H new ATOM 0 HB2 LYS A 70 2.971 -13.926 -38.216 1.00 52.44 H new ATOM 0 HB3 LYS A 70 3.964 -12.856 -37.246 1.00 52.44 H new ATOM 0 HG2 LYS A 70 1.731 -11.817 -36.398 1.00 53.34 H new ATOM 0 HG3 LYS A 70 0.938 -13.197 -37.132 1.00 53.34 H new ATOM 0 HD2 LYS A 70 3.049 -13.284 -34.916 1.00 13.13 H new ATOM 0 HD3 LYS A 70 1.343 -13.639 -34.737 1.00 13.13 H new ATOM 0 HE2 LYS A 70 1.528 -15.675 -36.034 1.00 34.44 H new ATOM 0 HE3 LYS A 70 3.134 -15.257 -36.597 1.00 34.44 H new ATOM 0 HZ1 LYS A 70 3.193 -16.910 -34.824 1.00 44.30 H new ATOM 0 HZ2 LYS A 70 3.972 -15.482 -34.339 1.00 44.30 H new ATOM 0 HZ3 LYS A 70 2.415 -15.837 -33.762 1.00 44.30 H new ATOM 1091 N PRO A 71 1.375 -12.764 -40.618 1.00 72.14 N ATOM 1092 CA PRO A 71 0.070 -12.904 -41.334 1.00 43.44 C ATOM 1093 C PRO A 71 -1.009 -13.630 -40.483 1.00 5.51 C ATOM 1094 O PRO A 71 -1.498 -14.715 -40.837 1.00 0.34 O ATOM 1095 CB PRO A 71 0.474 -13.706 -42.593 1.00 4.22 C ATOM 1096 CG PRO A 71 1.629 -14.548 -42.149 1.00 10.44 C ATOM 1097 CD PRO A 71 2.406 -13.684 -41.185 1.00 61.03 C ATOM 0 HA PRO A 71 -0.401 -11.948 -41.562 1.00 43.44 H new ATOM 0 HB2 PRO A 71 -0.351 -14.322 -42.952 1.00 4.22 H new ATOM 0 HB3 PRO A 71 0.757 -13.044 -43.411 1.00 4.22 H new ATOM 0 HG2 PRO A 71 1.286 -15.464 -41.667 1.00 10.44 H new ATOM 0 HG3 PRO A 71 2.247 -14.846 -42.996 1.00 10.44 H new ATOM 0 HD2 PRO A 71 2.881 -14.281 -40.406 1.00 61.03 H new ATOM 0 HD3 PRO A 71 3.198 -13.133 -41.691 1.00 61.03 H new ATOM 1105 N PHE A 72 -1.389 -12.997 -39.363 1.00 4.42 N ATOM 1106 CA PHE A 72 -2.361 -13.551 -38.413 1.00 61.20 C ATOM 1107 C PHE A 72 -3.787 -13.177 -38.870 1.00 11.32 C ATOM 1108 O PHE A 72 -4.200 -12.016 -38.749 1.00 21.22 O ATOM 1109 CB PHE A 72 -2.068 -13.013 -36.986 1.00 73.50 C ATOM 1110 CG PHE A 72 -2.887 -13.672 -35.866 1.00 53.02 C ATOM 1111 CD1 PHE A 72 -2.432 -14.831 -35.231 1.00 20.12 C ATOM 1112 CD2 PHE A 72 -4.115 -13.140 -35.452 1.00 23.43 C ATOM 1113 CE1 PHE A 72 -3.171 -15.432 -34.227 1.00 1.12 C ATOM 1114 CE2 PHE A 72 -4.850 -13.745 -34.454 1.00 73.11 C ATOM 1115 CZ PHE A 72 -4.381 -14.891 -33.839 1.00 71.22 C ATOM 0 H PHE A 72 -1.028 -12.083 -39.091 1.00 4.42 H new ATOM 0 HA PHE A 72 -2.279 -14.638 -38.386 1.00 61.20 H new ATOM 0 HB2 PHE A 72 -1.008 -13.152 -36.771 1.00 73.50 H new ATOM 0 HB3 PHE A 72 -2.258 -11.940 -36.972 1.00 73.50 H new ATOM 0 HD1 PHE A 72 -1.489 -15.264 -35.529 1.00 20.12 H new ATOM 0 HD2 PHE A 72 -4.492 -12.243 -35.921 1.00 23.43 H new ATOM 0 HE1 PHE A 72 -2.801 -16.325 -33.746 1.00 1.12 H new ATOM 0 HE2 PHE A 72 -5.796 -13.322 -34.152 1.00 73.11 H new ATOM 0 HZ PHE A 72 -4.959 -15.362 -33.058 1.00 71.22 H new ATOM 1125 N LYS A 73 -4.509 -14.153 -39.430 1.00 73.34 N ATOM 1126 CA LYS A 73 -5.897 -13.966 -39.887 1.00 32.44 C ATOM 1127 C LYS A 73 -6.861 -14.565 -38.830 1.00 73.31 C ATOM 1128 O LYS A 73 -7.181 -13.859 -37.846 1.00 61.23 O ATOM 1129 CB LYS A 73 -6.083 -14.601 -41.310 1.00 55.42 C ATOM 1130 CG LYS A 73 -5.181 -14.024 -42.445 1.00 1.45 C ATOM 1131 CD LYS A 73 -5.622 -12.627 -42.982 1.00 73.13 C ATOM 1132 CE LYS A 73 -5.204 -11.440 -42.092 1.00 24.30 C ATOM 1133 NZ LYS A 73 -5.719 -10.134 -42.610 1.00 23.30 N ATOM 1134 OXT LYS A 73 -7.277 -15.737 -38.970 1.00 37.43 O ATOM 0 H LYS A 73 -4.151 -15.096 -39.581 1.00 73.34 H new ATOM 0 HA LYS A 73 -6.130 -12.906 -39.985 1.00 32.44 H new ATOM 0 HB2 LYS A 73 -5.895 -15.672 -41.234 1.00 55.42 H new ATOM 0 HB3 LYS A 73 -7.125 -14.480 -41.606 1.00 55.42 H new ATOM 0 HG2 LYS A 73 -4.158 -13.950 -42.075 1.00 1.45 H new ATOM 0 HG3 LYS A 73 -5.169 -14.730 -43.275 1.00 1.45 H new ATOM 0 HD2 LYS A 73 -5.201 -12.485 -43.977 1.00 73.13 H new ATOM 0 HD3 LYS A 73 -6.707 -12.619 -43.091 1.00 73.13 H new ATOM 0 HE2 LYS A 73 -5.576 -11.599 -41.080 1.00 24.30 H new ATOM 0 HE3 LYS A 73 -4.116 -11.400 -42.030 1.00 24.30 H new ATOM 0 HZ1 LYS A 73 -5.413 -9.366 -41.980 1.00 23.30 H new ATOM 0 HZ2 LYS A 73 -5.344 -9.968 -43.566 1.00 23.30 H new ATOM 0 HZ3 LYS A 73 -6.758 -10.160 -42.645 1.00 23.30 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.246 -12.789 -25.189 1.00 42.11 ZN