USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 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 55 GLN : amide:sc= 0.128 K(o=0.92,f=-2.6) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -168:sc= 0.792 (180deg=0.175) USER MOD Set 2.1: A 46 CYS SG : rot -143:sc= -0.145! USER MOD Set 2.2: A 49 CYS SG : rot 119:sc= -2.16! USER MOD Set 2.3: A 62 HIS : no HD1:sc= -0.773 K(o=-3.1,f=-8.8!) USER MOD Set 3.1: A 45 HIS : no HE2:sc= 0.605 K(o=0.61,f=-2!) USER MOD Set 3.2: A 47 ASN : amide:sc= 0 K(o=0.61,f=-1.6) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0351 (180deg=-0.322) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.69 K(o=-0.69,f=-0.14) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 47:sc= 0.0808 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.0693 (180deg=-0.456) USER MOD Single : A 13 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0176) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 24:sc= 0.0214 USER MOD Single : A 21 CYS SG : rot 51:sc= 1.05 USER MOD Single : A 23 MET CE :methyl -169:sc=-0.00838 (180deg=-0.261) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.354 K(o=0.35,f=-3.6!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 83:sc= 1.16 USER MOD Single : A 38 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.81) USER MOD Single : A 39 THR OG1 : rot 46:sc= 0.3 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.373 USER MOD Single : A 54 THR OG1 : rot -30:sc= 0.0316 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 83:sc= 0.166 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.112 (180deg=-0.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -49.681 -86.149 46.018 1.00 34.43 N ATOM 2 CA MET A 1 -48.447 -86.587 45.335 1.00 35.22 C ATOM 3 C MET A 1 -48.690 -86.639 43.817 1.00 4.24 C ATOM 4 O MET A 1 -49.420 -87.511 43.319 1.00 1.32 O ATOM 5 CB MET A 1 -47.975 -87.955 45.900 1.00 62.42 C ATOM 6 CG MET A 1 -46.661 -88.475 45.305 1.00 2.21 C ATOM 7 SD MET A 1 -46.040 -89.958 46.132 1.00 62.22 S ATOM 8 CE MET A 1 -45.571 -89.315 47.742 1.00 53.22 C ATOM 0 H1 MET A 1 -49.516 -86.114 47.044 1.00 34.43 H new ATOM 0 H2 MET A 1 -49.949 -85.203 45.678 1.00 34.43 H new ATOM 0 H3 MET A 1 -50.448 -86.821 45.813 1.00 34.43 H new ATOM 0 HA MET A 1 -47.647 -85.870 45.521 1.00 35.22 H new ATOM 0 HB2 MET A 1 -47.859 -87.866 46.980 1.00 62.42 H new ATOM 0 HB3 MET A 1 -48.756 -88.695 45.723 1.00 62.42 H new ATOM 0 HG2 MET A 1 -46.810 -88.692 44.247 1.00 2.21 H new ATOM 0 HG3 MET A 1 -45.907 -87.690 45.366 1.00 2.21 H new ATOM 0 HE1 MET A 1 -44.923 -90.033 48.246 1.00 53.22 H new ATOM 0 HE2 MET A 1 -45.039 -88.372 47.616 1.00 53.22 H new ATOM 0 HE3 MET A 1 -46.466 -89.150 48.342 1.00 53.22 H new ATOM 20 N GLY A 2 -48.102 -85.667 43.099 1.00 14.34 N ATOM 21 CA GLY A 2 -48.306 -85.496 41.665 1.00 23.44 C ATOM 22 C GLY A 2 -47.892 -84.099 41.219 1.00 52.33 C ATOM 23 O GLY A 2 -48.658 -83.142 41.379 1.00 61.25 O ATOM 0 H GLY A 2 -47.470 -84.978 43.507 1.00 14.34 H new ATOM 0 HA2 GLY A 2 -47.728 -86.242 41.120 1.00 23.44 H new ATOM 0 HA3 GLY A 2 -49.355 -85.664 41.420 1.00 23.44 H new ATOM 27 N HIS A 3 -46.658 -83.985 40.701 1.00 54.21 N ATOM 28 CA HIS A 3 -46.053 -82.718 40.236 1.00 24.24 C ATOM 29 C HIS A 3 -45.214 -82.995 38.983 1.00 41.20 C ATOM 30 O HIS A 3 -44.601 -84.069 38.872 1.00 51.22 O ATOM 31 CB HIS A 3 -45.153 -82.076 41.337 1.00 3.04 C ATOM 32 CG HIS A 3 -45.893 -81.598 42.560 1.00 53.13 C ATOM 33 ND1 HIS A 3 -46.562 -80.391 42.612 1.00 4.30 N ATOM 34 CD2 HIS A 3 -46.078 -82.170 43.779 1.00 71.05 C ATOM 35 CE1 HIS A 3 -47.117 -80.246 43.798 1.00 43.34 C ATOM 36 NE2 HIS A 3 -46.840 -81.307 44.521 1.00 1.02 N ATOM 0 H HIS A 3 -46.037 -84.786 40.590 1.00 54.21 H new ATOM 0 HA HIS A 3 -46.855 -82.016 40.008 1.00 24.24 H new ATOM 0 HB2 HIS A 3 -44.404 -82.806 41.645 1.00 3.04 H new ATOM 0 HB3 HIS A 3 -44.617 -81.233 40.902 1.00 3.04 H new ATOM 0 HD2 HIS A 3 -45.695 -83.127 44.102 1.00 71.05 H new ATOM 0 HE1 HIS A 3 -47.701 -79.397 44.121 1.00 43.34 H new ATOM 0 HE2 HIS A 3 -47.144 -81.463 45.482 1.00 1.02 H new ATOM 45 N HIS A 4 -45.193 -82.036 38.041 1.00 53.05 N ATOM 46 CA HIS A 4 -44.389 -82.127 36.812 1.00 51.20 C ATOM 47 C HIS A 4 -44.016 -80.726 36.311 1.00 31.44 C ATOM 48 O HIS A 4 -44.794 -79.776 36.476 1.00 54.31 O ATOM 49 CB HIS A 4 -45.142 -82.935 35.704 1.00 5.03 C ATOM 50 CG HIS A 4 -46.330 -82.244 35.067 1.00 33.35 C ATOM 51 ND1 HIS A 4 -47.612 -82.330 35.561 1.00 45.21 N ATOM 52 CD2 HIS A 4 -46.425 -81.483 33.942 1.00 12.54 C ATOM 53 CE1 HIS A 4 -48.431 -81.657 34.782 1.00 50.10 C ATOM 54 NE2 HIS A 4 -47.740 -81.137 33.797 1.00 14.21 N ATOM 0 H HIS A 4 -45.735 -81.175 38.112 1.00 53.05 H new ATOM 0 HA HIS A 4 -43.470 -82.664 37.046 1.00 51.20 H new ATOM 0 HB2 HIS A 4 -44.429 -83.186 34.918 1.00 5.03 H new ATOM 0 HB3 HIS A 4 -45.484 -83.875 36.137 1.00 5.03 H new ATOM 0 HD2 HIS A 4 -45.613 -81.205 33.286 1.00 12.54 H new ATOM 0 HE1 HIS A 4 -49.496 -81.551 34.929 1.00 50.10 H new ATOM 0 HE2 HIS A 4 -48.122 -80.566 33.043 1.00 14.21 H new ATOM 63 N HIS A 5 -42.820 -80.600 35.705 1.00 41.34 N ATOM 64 CA HIS A 5 -42.372 -79.368 35.042 1.00 13.42 C ATOM 65 C HIS A 5 -42.351 -79.587 33.515 1.00 22.11 C ATOM 66 O HIS A 5 -41.639 -80.465 33.007 1.00 3.50 O ATOM 67 CB HIS A 5 -40.986 -78.888 35.584 1.00 32.15 C ATOM 68 CG HIS A 5 -39.811 -79.821 35.354 1.00 32.02 C ATOM 69 ND1 HIS A 5 -39.479 -80.843 36.215 1.00 63.01 N ATOM 70 CD2 HIS A 5 -38.882 -79.865 34.358 1.00 62.25 C ATOM 71 CE1 HIS A 5 -38.413 -81.475 35.761 1.00 54.34 C ATOM 72 NE2 HIS A 5 -38.033 -80.902 34.641 1.00 54.20 N ATOM 0 H HIS A 5 -42.137 -81.356 35.663 1.00 41.34 H new ATOM 0 HA HIS A 5 -43.078 -78.569 35.270 1.00 13.42 H new ATOM 0 HB2 HIS A 5 -40.754 -77.927 35.125 1.00 32.15 H new ATOM 0 HB3 HIS A 5 -41.080 -78.715 36.656 1.00 32.15 H new ATOM 0 HD2 HIS A 5 -38.826 -79.205 33.505 1.00 62.25 H new ATOM 0 HE1 HIS A 5 -37.934 -82.321 36.231 1.00 54.34 H new ATOM 0 HE2 HIS A 5 -37.234 -81.184 34.073 1.00 54.20 H new ATOM 81 N HIS A 6 -43.182 -78.820 32.794 1.00 5.43 N ATOM 82 CA HIS A 6 -43.247 -78.855 31.328 1.00 62.51 C ATOM 83 C HIS A 6 -43.638 -77.461 30.819 1.00 44.52 C ATOM 84 O HIS A 6 -44.825 -77.141 30.681 1.00 14.03 O ATOM 85 CB HIS A 6 -44.230 -79.944 30.829 1.00 22.50 C ATOM 86 CG HIS A 6 -44.297 -80.076 29.325 1.00 74.30 C ATOM 87 ND1 HIS A 6 -45.327 -79.555 28.572 1.00 12.55 N ATOM 88 CD2 HIS A 6 -43.454 -80.667 28.437 1.00 70.44 C ATOM 89 CE1 HIS A 6 -45.117 -79.814 27.298 1.00 41.34 C ATOM 90 NE2 HIS A 6 -43.992 -80.484 27.188 1.00 23.12 N ATOM 0 H HIS A 6 -43.831 -78.155 33.215 1.00 5.43 H new ATOM 0 HA HIS A 6 -42.268 -79.121 30.928 1.00 62.51 H new ATOM 0 HB2 HIS A 6 -43.937 -80.904 31.254 1.00 22.50 H new ATOM 0 HB3 HIS A 6 -45.227 -79.719 31.207 1.00 22.50 H new ATOM 0 HD2 HIS A 6 -42.534 -81.183 28.671 1.00 70.44 H new ATOM 0 HE1 HIS A 6 -45.761 -79.524 26.481 1.00 41.34 H new ATOM 0 HE2 HIS A 6 -43.584 -80.815 26.314 1.00 23.12 H new ATOM 99 N HIS A 7 -42.620 -76.626 30.591 1.00 51.33 N ATOM 100 CA HIS A 7 -42.802 -75.233 30.167 1.00 23.53 C ATOM 101 C HIS A 7 -43.115 -75.172 28.661 1.00 23.21 C ATOM 102 O HIS A 7 -42.303 -75.589 27.832 1.00 32.33 O ATOM 103 CB HIS A 7 -41.535 -74.415 30.523 1.00 23.31 C ATOM 104 CG HIS A 7 -41.659 -72.917 30.322 1.00 51.04 C ATOM 105 ND1 HIS A 7 -40.710 -72.156 29.675 1.00 60.32 N ATOM 106 CD2 HIS A 7 -42.607 -72.036 30.743 1.00 63.43 C ATOM 107 CE1 HIS A 7 -41.060 -70.884 29.706 1.00 0.05 C ATOM 108 NE2 HIS A 7 -42.208 -70.788 30.347 1.00 43.52 N ATOM 0 H HIS A 7 -41.642 -76.897 30.695 1.00 51.33 H new ATOM 0 HA HIS A 7 -43.649 -74.795 30.694 1.00 23.53 H new ATOM 0 HB2 HIS A 7 -41.279 -74.606 31.565 1.00 23.31 H new ATOM 0 HB3 HIS A 7 -40.704 -74.780 29.919 1.00 23.31 H new ATOM 0 HD2 HIS A 7 -43.507 -72.277 31.289 1.00 63.43 H new ATOM 0 HE1 HIS A 7 -40.502 -70.063 29.280 1.00 0.05 H new ATOM 0 HE2 HIS A 7 -42.718 -69.922 30.520 1.00 43.52 H new ATOM 117 N HIS A 8 -44.316 -74.683 28.329 1.00 1.41 N ATOM 118 CA HIS A 8 -44.771 -74.494 26.946 1.00 34.25 C ATOM 119 C HIS A 8 -45.024 -72.994 26.727 1.00 24.31 C ATOM 120 O HIS A 8 -46.119 -72.486 26.994 1.00 10.10 O ATOM 121 CB HIS A 8 -46.045 -75.346 26.704 1.00 21.43 C ATOM 122 CG HIS A 8 -46.569 -75.322 25.285 1.00 33.12 C ATOM 123 ND1 HIS A 8 -47.697 -74.624 24.904 1.00 31.10 N ATOM 124 CD2 HIS A 8 -46.126 -75.943 24.163 1.00 73.23 C ATOM 125 CE1 HIS A 8 -47.922 -74.815 23.621 1.00 72.12 C ATOM 126 NE2 HIS A 8 -46.985 -75.606 23.147 1.00 3.30 N ATOM 0 H HIS A 8 -45.009 -74.403 29.023 1.00 1.41 H new ATOM 0 HA HIS A 8 -44.019 -74.826 26.230 1.00 34.25 H new ATOM 0 HB2 HIS A 8 -45.831 -76.379 26.979 1.00 21.43 H new ATOM 0 HB3 HIS A 8 -46.831 -74.995 27.372 1.00 21.43 H new ATOM 0 HD2 HIS A 8 -45.260 -76.583 24.084 1.00 73.23 H new ATOM 0 HE1 HIS A 8 -48.738 -74.393 23.054 1.00 72.12 H new ATOM 0 HE2 HIS A 8 -46.909 -75.919 22.179 1.00 3.30 H new ATOM 135 N SER A 9 -43.966 -72.285 26.295 1.00 21.23 N ATOM 136 CA SER A 9 -43.973 -70.823 26.142 1.00 40.14 C ATOM 137 C SER A 9 -44.446 -70.407 24.733 1.00 42.43 C ATOM 138 O SER A 9 -43.646 -70.310 23.788 1.00 1.41 O ATOM 139 CB SER A 9 -42.564 -70.266 26.467 1.00 5.53 C ATOM 140 OG SER A 9 -41.547 -70.983 25.778 1.00 3.34 O ATOM 0 H SER A 9 -43.077 -72.715 26.041 1.00 21.23 H new ATOM 0 HA SER A 9 -44.686 -70.394 26.845 1.00 40.14 H new ATOM 0 HB2 SER A 9 -42.516 -69.212 26.193 1.00 5.53 H new ATOM 0 HB3 SER A 9 -42.388 -70.324 27.541 1.00 5.53 H new ATOM 0 HG SER A 9 -41.801 -71.088 24.837 1.00 3.34 H new ATOM 146 N HIS A 10 -45.766 -70.207 24.606 1.00 35.33 N ATOM 147 CA HIS A 10 -46.415 -69.701 23.386 1.00 63.15 C ATOM 148 C HIS A 10 -46.345 -68.157 23.399 1.00 54.55 C ATOM 149 O HIS A 10 -47.253 -67.481 23.905 1.00 71.11 O ATOM 150 CB HIS A 10 -47.882 -70.222 23.339 1.00 62.34 C ATOM 151 CG HIS A 10 -48.680 -69.782 22.131 1.00 75.32 C ATOM 152 ND1 HIS A 10 -49.632 -68.788 22.182 1.00 1.42 N ATOM 153 CD2 HIS A 10 -48.693 -70.237 20.854 1.00 52.24 C ATOM 154 CE1 HIS A 10 -50.195 -68.652 21.001 1.00 41.23 C ATOM 155 NE2 HIS A 10 -49.647 -69.519 20.176 1.00 25.41 N ATOM 0 H HIS A 10 -46.425 -70.396 25.361 1.00 35.33 H new ATOM 0 HA HIS A 10 -45.909 -70.057 22.489 1.00 63.15 H new ATOM 0 HB2 HIS A 10 -47.865 -71.312 23.367 1.00 62.34 H new ATOM 0 HB3 HIS A 10 -48.399 -69.888 24.238 1.00 62.34 H new ATOM 0 HD2 HIS A 10 -48.069 -71.019 20.446 1.00 52.24 H new ATOM 0 HE1 HIS A 10 -50.975 -67.948 20.751 1.00 41.23 H new ATOM 0 HE2 HIS A 10 -49.891 -69.638 19.193 1.00 25.41 H new ATOM 164 N MET A 11 -45.224 -67.611 22.880 1.00 62.51 N ATOM 165 CA MET A 11 -44.907 -66.168 22.950 1.00 65.14 C ATOM 166 C MET A 11 -44.565 -65.602 21.549 1.00 41.41 C ATOM 167 O MET A 11 -43.514 -65.933 20.994 1.00 44.43 O ATOM 168 CB MET A 11 -43.727 -65.931 23.941 1.00 61.34 C ATOM 169 CG MET A 11 -43.293 -64.463 24.069 1.00 4.30 C ATOM 170 SD MET A 11 -41.989 -64.200 25.292 1.00 72.01 S ATOM 171 CE MET A 11 -42.822 -64.658 26.810 1.00 3.44 C ATOM 0 H MET A 11 -44.511 -68.160 22.399 1.00 62.51 H new ATOM 0 HA MET A 11 -45.788 -65.639 23.315 1.00 65.14 H new ATOM 0 HB2 MET A 11 -44.015 -66.299 24.925 1.00 61.34 H new ATOM 0 HB3 MET A 11 -42.871 -66.524 23.617 1.00 61.34 H new ATOM 0 HG2 MET A 11 -42.946 -64.109 23.098 1.00 4.30 H new ATOM 0 HG3 MET A 11 -44.159 -63.859 24.338 1.00 4.30 H new ATOM 0 HE1 MET A 11 -42.265 -64.269 27.662 1.00 3.44 H new ATOM 0 HE2 MET A 11 -43.828 -64.240 26.813 1.00 3.44 H new ATOM 0 HE3 MET A 11 -42.880 -65.744 26.879 1.00 3.44 H new ATOM 181 N PRO A 12 -45.466 -64.762 20.937 1.00 22.04 N ATOM 182 CA PRO A 12 -45.192 -64.097 19.647 1.00 41.41 C ATOM 183 C PRO A 12 -44.412 -62.763 19.814 1.00 15.42 C ATOM 184 O PRO A 12 -44.863 -61.847 20.514 1.00 15.11 O ATOM 185 CB PRO A 12 -46.616 -63.869 19.085 1.00 12.03 C ATOM 186 CG PRO A 12 -47.485 -63.665 20.294 1.00 74.52 C ATOM 187 CD PRO A 12 -46.834 -64.439 21.434 1.00 74.54 C ATOM 0 HA PRO A 12 -44.551 -64.686 18.991 1.00 41.41 H new ATOM 0 HB2 PRO A 12 -46.646 -63.001 18.427 1.00 12.03 H new ATOM 0 HB3 PRO A 12 -46.950 -64.725 18.499 1.00 12.03 H new ATOM 0 HG2 PRO A 12 -47.564 -62.606 20.540 1.00 74.52 H new ATOM 0 HG3 PRO A 12 -48.497 -64.026 20.109 1.00 74.52 H new ATOM 0 HD2 PRO A 12 -46.794 -63.843 22.346 1.00 74.54 H new ATOM 0 HD3 PRO A 12 -47.394 -65.344 21.669 1.00 74.54 H new ATOM 195 N ASN A 13 -43.232 -62.677 19.177 1.00 20.21 N ATOM 196 CA ASN A 13 -42.417 -61.446 19.131 1.00 32.42 C ATOM 197 C ASN A 13 -41.621 -61.422 17.817 1.00 42.53 C ATOM 198 O ASN A 13 -41.097 -62.455 17.392 1.00 60.33 O ATOM 199 CB ASN A 13 -41.452 -61.351 20.353 1.00 72.11 C ATOM 200 CG ASN A 13 -40.677 -60.018 20.416 1.00 33.31 C ATOM 201 OD1 ASN A 13 -41.105 -59.061 21.063 1.00 54.40 O ATOM 202 ND2 ASN A 13 -39.539 -59.940 19.740 1.00 43.42 N ATOM 0 H ASN A 13 -42.813 -63.461 18.677 1.00 20.21 H new ATOM 0 HA ASN A 13 -43.083 -60.584 19.177 1.00 32.42 H new ATOM 0 HB2 ASN A 13 -42.026 -61.473 21.271 1.00 72.11 H new ATOM 0 HB3 ASN A 13 -40.740 -62.175 20.310 1.00 72.11 H new ATOM 0 HD21 ASN A 13 -38.999 -59.075 19.749 1.00 43.42 H new ATOM 0 HD22 ASN A 13 -39.204 -60.745 19.211 1.00 43.42 H new ATOM 209 N GLY A 14 -41.530 -60.241 17.194 1.00 41.12 N ATOM 210 CA GLY A 14 -40.819 -60.057 15.936 1.00 34.33 C ATOM 211 C GLY A 14 -40.044 -58.757 15.942 1.00 53.44 C ATOM 212 O GLY A 14 -40.648 -57.684 15.949 1.00 12.04 O ATOM 0 H GLY A 14 -41.952 -59.385 17.555 1.00 41.12 H new ATOM 0 HA2 GLY A 14 -40.137 -60.891 15.773 1.00 34.33 H new ATOM 0 HA3 GLY A 14 -41.528 -60.059 15.108 1.00 34.33 H new ATOM 216 N LYS A 15 -38.711 -58.849 16.005 1.00 34.31 N ATOM 217 CA LYS A 15 -37.812 -57.687 15.897 1.00 55.14 C ATOM 218 C LYS A 15 -37.619 -57.326 14.404 1.00 23.11 C ATOM 219 O LYS A 15 -37.072 -58.134 13.642 1.00 2.24 O ATOM 220 CB LYS A 15 -36.441 -58.010 16.555 1.00 73.45 C ATOM 221 CG LYS A 15 -36.493 -58.294 18.079 1.00 43.32 C ATOM 222 CD LYS A 15 -35.107 -58.688 18.660 1.00 44.04 C ATOM 223 CE LYS A 15 -35.127 -58.929 20.186 1.00 25.21 C ATOM 224 NZ LYS A 15 -35.455 -57.697 20.951 1.00 41.22 N ATOM 0 H LYS A 15 -38.220 -59.734 16.133 1.00 34.31 H new ATOM 0 HA LYS A 15 -38.253 -56.837 16.418 1.00 55.14 H new ATOM 0 HB2 LYS A 15 -36.010 -58.877 16.054 1.00 73.45 H new ATOM 0 HB3 LYS A 15 -35.765 -57.173 16.380 1.00 73.45 H new ATOM 0 HG2 LYS A 15 -36.862 -57.409 18.598 1.00 43.32 H new ATOM 0 HG3 LYS A 15 -37.205 -59.096 18.271 1.00 43.32 H new ATOM 0 HD2 LYS A 15 -34.756 -59.592 18.162 1.00 44.04 H new ATOM 0 HD3 LYS A 15 -34.389 -57.900 18.434 1.00 44.04 H new ATOM 0 HE2 LYS A 15 -35.858 -59.703 20.419 1.00 25.21 H new ATOM 0 HE3 LYS A 15 -34.154 -59.303 20.505 1.00 25.21 H new ATOM 0 HZ1 LYS A 15 -35.390 -57.893 21.970 1.00 41.22 H new ATOM 0 HZ2 LYS A 15 -34.784 -56.943 20.700 1.00 41.22 H new ATOM 0 HZ3 LYS A 15 -36.422 -57.391 20.719 1.00 41.22 H new ATOM 238 N LEU A 16 -38.088 -56.132 13.995 1.00 33.43 N ATOM 239 CA LEU A 16 -37.979 -55.648 12.606 1.00 0.01 C ATOM 240 C LEU A 16 -38.011 -54.109 12.578 1.00 75.31 C ATOM 241 O LEU A 16 -38.707 -53.486 13.398 1.00 31.41 O ATOM 242 CB LEU A 16 -39.121 -56.228 11.694 1.00 24.23 C ATOM 243 CG LEU A 16 -40.592 -55.688 11.902 1.00 34.11 C ATOM 244 CD1 LEU A 16 -41.538 -56.192 10.784 1.00 4.24 C ATOM 245 CD2 LEU A 16 -41.160 -56.046 13.293 1.00 51.34 C ATOM 0 H LEU A 16 -38.554 -55.474 14.620 1.00 33.43 H new ATOM 0 HA LEU A 16 -37.027 -55.999 12.208 1.00 0.01 H new ATOM 0 HB2 LEU A 16 -38.843 -56.045 10.656 1.00 24.23 H new ATOM 0 HB3 LEU A 16 -39.141 -57.309 11.833 1.00 24.23 H new ATOM 0 HG LEU A 16 -40.534 -54.601 11.845 1.00 34.11 H new ATOM 0 HD11 LEU A 16 -42.542 -55.804 10.955 1.00 4.24 H new ATOM 0 HD12 LEU A 16 -41.175 -55.846 9.816 1.00 4.24 H new ATOM 0 HD13 LEU A 16 -41.564 -57.282 10.793 1.00 4.24 H new ATOM 0 HD21 LEU A 16 -42.172 -55.652 13.385 1.00 51.34 H new ATOM 0 HD22 LEU A 16 -41.180 -57.130 13.410 1.00 51.34 H new ATOM 0 HD23 LEU A 16 -40.529 -55.609 14.067 1.00 51.34 H new ATOM 257 N LYS A 17 -37.268 -53.497 11.634 1.00 72.34 N ATOM 258 CA LYS A 17 -37.236 -52.035 11.449 1.00 41.22 C ATOM 259 C LYS A 17 -36.574 -51.668 10.109 1.00 0.13 C ATOM 260 O LYS A 17 -35.387 -51.950 9.900 1.00 74.22 O ATOM 261 CB LYS A 17 -36.478 -51.340 12.624 1.00 11.41 C ATOM 262 CG LYS A 17 -36.395 -49.799 12.508 1.00 33.55 C ATOM 263 CD LYS A 17 -35.553 -49.155 13.633 1.00 63.34 C ATOM 264 CE LYS A 17 -35.407 -47.637 13.439 1.00 31.11 C ATOM 265 NZ LYS A 17 -34.652 -46.997 14.549 1.00 75.14 N ATOM 0 H LYS A 17 -36.673 -54.004 10.979 1.00 72.34 H new ATOM 0 HA LYS A 17 -38.266 -51.680 11.441 1.00 41.22 H new ATOM 0 HB2 LYS A 17 -36.973 -51.596 13.561 1.00 11.41 H new ATOM 0 HB3 LYS A 17 -35.467 -51.743 12.677 1.00 11.41 H new ATOM 0 HG2 LYS A 17 -35.964 -49.535 11.542 1.00 33.55 H new ATOM 0 HG3 LYS A 17 -37.402 -49.383 12.532 1.00 33.55 H new ATOM 0 HD2 LYS A 17 -36.021 -49.355 14.597 1.00 63.34 H new ATOM 0 HD3 LYS A 17 -34.565 -49.615 13.657 1.00 63.34 H new ATOM 0 HE2 LYS A 17 -34.898 -47.441 12.495 1.00 31.11 H new ATOM 0 HE3 LYS A 17 -36.396 -47.185 13.367 1.00 31.11 H new ATOM 0 HZ1 LYS A 17 -34.579 -45.974 14.375 1.00 75.14 H new ATOM 0 HZ2 LYS A 17 -35.150 -47.161 15.447 1.00 75.14 H new ATOM 0 HZ3 LYS A 17 -33.698 -47.408 14.602 1.00 75.14 H new ATOM 279 N CYS A 18 -37.351 -51.046 9.211 1.00 44.24 N ATOM 280 CA CYS A 18 -36.856 -50.481 7.940 1.00 14.43 C ATOM 281 C CYS A 18 -37.196 -48.981 7.872 1.00 42.45 C ATOM 282 O CYS A 18 -38.263 -48.560 8.335 1.00 43.20 O ATOM 283 CB CYS A 18 -37.481 -51.226 6.742 1.00 51.24 C ATOM 284 SG CYS A 18 -39.288 -51.143 6.686 1.00 23.12 S ATOM 0 H CYS A 18 -38.354 -50.918 9.345 1.00 44.24 H new ATOM 0 HA CYS A 18 -35.774 -50.603 7.895 1.00 14.43 H new ATOM 0 HB2 CYS A 18 -37.079 -50.809 5.818 1.00 51.24 H new ATOM 0 HB3 CYS A 18 -37.176 -52.272 6.779 1.00 51.24 H new ATOM 0 HG CYS A 18 -39.694 -50.093 7.335 1.00 23.12 H new ATOM 290 N ASP A 19 -36.284 -48.181 7.298 1.00 32.14 N ATOM 291 CA ASP A 19 -36.449 -46.716 7.154 1.00 52.22 C ATOM 292 C ASP A 19 -36.249 -46.332 5.676 1.00 53.25 C ATOM 293 O ASP A 19 -35.535 -47.035 4.945 1.00 74.53 O ATOM 294 CB ASP A 19 -35.430 -45.975 8.074 1.00 3.50 C ATOM 295 CG ASP A 19 -35.664 -44.453 8.166 1.00 45.45 C ATOM 296 OD1 ASP A 19 -36.434 -44.008 9.047 1.00 22.21 O ATOM 297 OD2 ASP A 19 -35.096 -43.695 7.348 1.00 12.23 O ATOM 0 H ASP A 19 -35.404 -48.529 6.917 1.00 32.14 H new ATOM 0 HA ASP A 19 -37.452 -46.419 7.460 1.00 52.22 H new ATOM 0 HB2 ASP A 19 -35.482 -46.402 9.076 1.00 3.50 H new ATOM 0 HB3 ASP A 19 -34.421 -46.156 7.702 1.00 3.50 H new ATOM 302 N VAL A 20 -36.858 -45.210 5.241 1.00 55.31 N ATOM 303 CA VAL A 20 -36.804 -44.748 3.834 1.00 45.12 C ATOM 304 C VAL A 20 -35.373 -44.300 3.420 1.00 62.21 C ATOM 305 O VAL A 20 -35.074 -44.233 2.221 1.00 22.34 O ATOM 306 CB VAL A 20 -37.838 -43.590 3.561 1.00 3.31 C ATOM 307 CG1 VAL A 20 -39.285 -44.054 3.863 1.00 32.43 C ATOM 308 CG2 VAL A 20 -37.483 -42.311 4.343 1.00 35.43 C ATOM 0 H VAL A 20 -37.400 -44.598 5.851 1.00 55.31 H new ATOM 0 HA VAL A 20 -37.078 -45.605 3.219 1.00 45.12 H new ATOM 0 HB VAL A 20 -37.780 -43.343 2.501 1.00 3.31 H new ATOM 0 HG11 VAL A 20 -39.978 -43.236 3.666 1.00 32.43 H new ATOM 0 HG12 VAL A 20 -39.535 -44.903 3.226 1.00 32.43 H new ATOM 0 HG13 VAL A 20 -39.361 -44.350 4.909 1.00 32.43 H new ATOM 0 HG21 VAL A 20 -38.219 -41.537 4.128 1.00 35.43 H new ATOM 0 HG22 VAL A 20 -37.484 -42.526 5.412 1.00 35.43 H new ATOM 0 HG23 VAL A 20 -36.494 -41.964 4.044 1.00 35.43 H new ATOM 318 N CYS A 21 -34.535 -43.971 4.439 1.00 23.54 N ATOM 319 CA CYS A 21 -33.086 -43.673 4.311 1.00 34.35 C ATOM 320 C CYS A 21 -32.823 -42.316 3.614 1.00 4.14 C ATOM 321 O CYS A 21 -32.301 -41.390 4.248 1.00 32.14 O ATOM 322 CB CYS A 21 -32.324 -44.830 3.626 1.00 1.33 C ATOM 323 SG CYS A 21 -32.500 -46.425 4.453 1.00 52.31 S ATOM 0 H CYS A 21 -34.862 -43.904 5.403 1.00 23.54 H new ATOM 0 HA CYS A 21 -32.693 -43.582 5.324 1.00 34.35 H new ATOM 0 HB2 CYS A 21 -32.677 -44.925 2.599 1.00 1.33 H new ATOM 0 HB3 CYS A 21 -31.266 -44.574 3.577 1.00 1.33 H new ATOM 0 HG CYS A 21 -33.760 -46.672 4.656 1.00 52.31 H new ATOM 329 N GLY A 22 -33.176 -42.210 2.319 1.00 52.35 N ATOM 330 CA GLY A 22 -33.099 -40.952 1.563 1.00 23.11 C ATOM 331 C GLY A 22 -34.284 -40.020 1.849 1.00 31.01 C ATOM 332 O GLY A 22 -35.024 -39.642 0.935 1.00 22.14 O ATOM 0 H GLY A 22 -33.522 -42.997 1.770 1.00 52.35 H new ATOM 0 HA2 GLY A 22 -32.170 -40.439 1.811 1.00 23.11 H new ATOM 0 HA3 GLY A 22 -33.065 -41.174 0.496 1.00 23.11 H new ATOM 336 N MET A 23 -34.459 -39.666 3.142 1.00 1.40 N ATOM 337 CA MET A 23 -35.488 -38.720 3.605 1.00 23.53 C ATOM 338 C MET A 23 -34.921 -37.294 3.485 1.00 45.20 C ATOM 339 O MET A 23 -34.036 -36.929 4.265 1.00 64.41 O ATOM 340 CB MET A 23 -35.881 -39.042 5.085 1.00 15.14 C ATOM 341 CG MET A 23 -36.937 -38.098 5.679 1.00 71.31 C ATOM 342 SD MET A 23 -37.354 -38.458 7.401 1.00 32.14 S ATOM 343 CE MET A 23 -38.142 -40.063 7.259 1.00 41.11 C ATOM 0 H MET A 23 -33.882 -40.035 3.898 1.00 1.40 H new ATOM 0 HA MET A 23 -36.387 -38.806 2.995 1.00 23.53 H new ATOM 0 HB2 MET A 23 -36.256 -40.064 5.135 1.00 15.14 H new ATOM 0 HB3 MET A 23 -34.985 -39.001 5.704 1.00 15.14 H new ATOM 0 HG2 MET A 23 -36.574 -37.073 5.610 1.00 71.31 H new ATOM 0 HG3 MET A 23 -37.843 -38.156 5.076 1.00 71.31 H new ATOM 0 HE1 MET A 23 -38.621 -40.318 8.204 1.00 41.11 H new ATOM 0 HE2 MET A 23 -38.892 -40.031 6.469 1.00 41.11 H new ATOM 0 HE3 MET A 23 -37.392 -40.816 7.017 1.00 41.11 H new ATOM 353 N VAL A 24 -35.428 -36.524 2.494 1.00 42.04 N ATOM 354 CA VAL A 24 -34.887 -35.200 2.112 1.00 61.21 C ATOM 355 C VAL A 24 -33.376 -35.325 1.773 1.00 31.32 C ATOM 356 O VAL A 24 -32.504 -35.126 2.636 1.00 73.01 O ATOM 357 CB VAL A 24 -35.161 -34.075 3.200 1.00 35.11 C ATOM 358 CG1 VAL A 24 -34.661 -32.691 2.726 1.00 14.44 C ATOM 359 CG2 VAL A 24 -36.659 -34.014 3.587 1.00 45.54 C ATOM 0 H VAL A 24 -36.231 -36.808 1.933 1.00 42.04 H new ATOM 0 HA VAL A 24 -35.422 -34.872 1.221 1.00 61.21 H new ATOM 0 HB VAL A 24 -34.595 -34.347 4.091 1.00 35.11 H new ATOM 0 HG11 VAL A 24 -34.866 -31.947 3.496 1.00 14.44 H new ATOM 0 HG12 VAL A 24 -33.588 -32.736 2.541 1.00 14.44 H new ATOM 0 HG13 VAL A 24 -35.177 -32.413 1.807 1.00 14.44 H new ATOM 0 HG21 VAL A 24 -36.811 -33.234 4.333 1.00 45.54 H new ATOM 0 HG22 VAL A 24 -37.255 -33.790 2.702 1.00 45.54 H new ATOM 0 HG23 VAL A 24 -36.968 -34.975 3.999 1.00 45.54 H new ATOM 369 N CYS A 25 -33.087 -35.699 0.517 1.00 63.21 N ATOM 370 CA CYS A 25 -31.726 -36.026 0.061 1.00 52.12 C ATOM 371 C CYS A 25 -31.548 -35.567 -1.401 1.00 2.32 C ATOM 372 O CYS A 25 -31.618 -36.371 -2.344 1.00 4.34 O ATOM 373 CB CYS A 25 -31.465 -37.548 0.230 1.00 62.32 C ATOM 374 SG CYS A 25 -29.830 -38.105 -0.303 1.00 10.33 S ATOM 0 H CYS A 25 -33.793 -35.784 -0.214 1.00 63.21 H new ATOM 0 HA CYS A 25 -30.991 -35.498 0.668 1.00 52.12 H new ATOM 0 HB2 CYS A 25 -31.597 -37.810 1.280 1.00 62.32 H new ATOM 0 HB3 CYS A 25 -32.221 -38.096 -0.333 1.00 62.32 H new ATOM 0 HG CYS A 25 -29.725 -39.387 -0.114 1.00 10.33 H new ATOM 380 N ILE A 26 -31.389 -34.237 -1.583 1.00 75.14 N ATOM 381 CA ILE A 26 -31.188 -33.597 -2.897 1.00 11.52 C ATOM 382 C ILE A 26 -29.963 -32.660 -2.857 1.00 5.11 C ATOM 383 O ILE A 26 -29.551 -32.197 -1.780 1.00 45.50 O ATOM 384 CB ILE A 26 -32.468 -32.781 -3.348 1.00 10.34 C ATOM 385 CG1 ILE A 26 -32.808 -31.646 -2.316 1.00 24.11 C ATOM 386 CG2 ILE A 26 -33.682 -33.729 -3.558 1.00 32.40 C ATOM 387 CD1 ILE A 26 -33.970 -30.743 -2.710 1.00 70.33 C ATOM 0 H ILE A 26 -31.397 -33.572 -0.810 1.00 75.14 H new ATOM 0 HA ILE A 26 -31.015 -34.390 -3.624 1.00 11.52 H new ATOM 0 HB ILE A 26 -32.244 -32.304 -4.302 1.00 10.34 H new ATOM 0 HG12 ILE A 26 -33.035 -32.106 -1.355 1.00 24.11 H new ATOM 0 HG13 ILE A 26 -31.921 -31.029 -2.172 1.00 24.11 H new ATOM 0 HG21 ILE A 26 -34.550 -33.146 -3.867 1.00 32.40 H new ATOM 0 HG22 ILE A 26 -33.443 -34.461 -4.329 1.00 32.40 H new ATOM 0 HG23 ILE A 26 -33.906 -34.245 -2.625 1.00 32.40 H new ATOM 0 HD11 ILE A 26 -34.127 -29.993 -1.935 1.00 70.33 H new ATOM 0 HD12 ILE A 26 -33.742 -30.248 -3.654 1.00 70.33 H new ATOM 0 HD13 ILE A 26 -34.874 -31.342 -2.823 1.00 70.33 H new ATOM 399 N GLY A 27 -29.394 -32.398 -4.042 1.00 4.12 N ATOM 400 CA GLY A 27 -28.248 -31.505 -4.198 1.00 13.11 C ATOM 401 C GLY A 27 -27.578 -31.684 -5.563 1.00 54.13 C ATOM 402 O GLY A 27 -26.536 -32.347 -5.648 1.00 65.53 O ATOM 0 H GLY A 27 -29.720 -32.803 -4.919 1.00 4.12 H new ATOM 0 HA2 GLY A 27 -28.573 -30.471 -4.084 1.00 13.11 H new ATOM 0 HA3 GLY A 27 -27.523 -31.700 -3.408 1.00 13.11 H new ATOM 406 N PRO A 28 -28.170 -31.117 -6.669 1.00 14.43 N ATOM 407 CA PRO A 28 -27.623 -31.252 -8.044 1.00 54.54 C ATOM 408 C PRO A 28 -26.391 -30.349 -8.279 1.00 4.33 C ATOM 409 O PRO A 28 -26.034 -29.528 -7.422 1.00 74.20 O ATOM 410 CB PRO A 28 -28.822 -30.839 -8.963 1.00 54.55 C ATOM 411 CG PRO A 28 -29.996 -30.617 -8.037 1.00 33.22 C ATOM 412 CD PRO A 28 -29.406 -30.293 -6.685 1.00 10.02 C ATOM 0 HA PRO A 28 -27.261 -32.261 -8.244 1.00 54.54 H new ATOM 0 HB2 PRO A 28 -28.590 -29.934 -9.524 1.00 54.55 H new ATOM 0 HB3 PRO A 28 -29.042 -31.619 -9.692 1.00 54.55 H new ATOM 0 HG2 PRO A 28 -30.625 -29.801 -8.394 1.00 33.22 H new ATOM 0 HG3 PRO A 28 -30.625 -31.506 -7.985 1.00 33.22 H new ATOM 0 HD2 PRO A 28 -29.187 -29.230 -6.582 1.00 10.02 H new ATOM 0 HD3 PRO A 28 -30.082 -30.559 -5.873 1.00 10.02 H new ATOM 420 N ASN A 29 -25.758 -30.497 -9.458 1.00 61.43 N ATOM 421 CA ASN A 29 -24.544 -29.744 -9.813 1.00 22.11 C ATOM 422 C ASN A 29 -24.923 -28.335 -10.325 1.00 74.53 C ATOM 423 O ASN A 29 -24.997 -28.085 -11.538 1.00 32.54 O ATOM 424 CB ASN A 29 -23.695 -30.536 -10.852 1.00 55.51 C ATOM 425 CG ASN A 29 -22.257 -30.021 -11.025 1.00 32.24 C ATOM 426 OD1 ASN A 29 -21.954 -28.847 -10.803 1.00 31.04 O ATOM 427 ND2 ASN A 29 -21.362 -30.905 -11.433 1.00 10.40 N ATOM 0 H ASN A 29 -26.073 -31.138 -10.186 1.00 61.43 H new ATOM 0 HA ASN A 29 -23.927 -29.616 -8.924 1.00 22.11 H new ATOM 0 HB2 ASN A 29 -23.659 -31.583 -10.550 1.00 55.51 H new ATOM 0 HB3 ASN A 29 -24.199 -30.500 -11.818 1.00 55.51 H new ATOM 0 HD21 ASN A 29 -20.392 -30.622 -11.572 1.00 10.40 H new ATOM 0 HD22 ASN A 29 -21.642 -31.870 -11.609 1.00 10.40 H new ATOM 434 N VAL A 30 -25.202 -27.434 -9.375 1.00 21.24 N ATOM 435 CA VAL A 30 -25.553 -26.029 -9.650 1.00 42.05 C ATOM 436 C VAL A 30 -24.325 -25.234 -10.168 1.00 54.24 C ATOM 437 O VAL A 30 -24.472 -24.247 -10.890 1.00 33.32 O ATOM 438 CB VAL A 30 -26.175 -25.345 -8.374 1.00 33.23 C ATOM 439 CG1 VAL A 30 -27.461 -26.087 -7.919 1.00 44.32 C ATOM 440 CG2 VAL A 30 -25.149 -25.243 -7.210 1.00 33.31 C ATOM 0 H VAL A 30 -25.191 -27.660 -8.380 1.00 21.24 H new ATOM 0 HA VAL A 30 -26.307 -26.021 -10.437 1.00 42.05 H new ATOM 0 HB VAL A 30 -26.447 -24.327 -8.653 1.00 33.23 H new ATOM 0 HG11 VAL A 30 -27.872 -25.596 -7.037 1.00 44.32 H new ATOM 0 HG12 VAL A 30 -28.197 -26.065 -8.722 1.00 44.32 H new ATOM 0 HG13 VAL A 30 -27.218 -27.122 -7.678 1.00 44.32 H new ATOM 0 HG21 VAL A 30 -25.620 -24.765 -6.351 1.00 33.31 H new ATOM 0 HG22 VAL A 30 -24.814 -26.242 -6.931 1.00 33.31 H new ATOM 0 HG23 VAL A 30 -24.293 -24.650 -7.531 1.00 33.31 H new ATOM 450 N LEU A 31 -23.122 -25.696 -9.786 1.00 21.30 N ATOM 451 CA LEU A 31 -21.848 -25.030 -10.102 1.00 54.43 C ATOM 452 C LEU A 31 -21.550 -25.033 -11.621 1.00 62.13 C ATOM 453 O LEU A 31 -21.231 -23.984 -12.201 1.00 41.32 O ATOM 454 CB LEU A 31 -20.701 -25.710 -9.299 1.00 14.51 C ATOM 455 CG LEU A 31 -20.863 -25.689 -7.740 1.00 40.51 C ATOM 456 CD1 LEU A 31 -19.692 -26.427 -7.044 1.00 1.44 C ATOM 457 CD2 LEU A 31 -21.019 -24.240 -7.199 1.00 72.23 C ATOM 0 H LEU A 31 -23.006 -26.552 -9.243 1.00 21.30 H new ATOM 0 HA LEU A 31 -21.923 -23.983 -9.808 1.00 54.43 H new ATOM 0 HB2 LEU A 31 -20.619 -26.747 -9.624 1.00 14.51 H new ATOM 0 HB3 LEU A 31 -19.762 -25.220 -9.556 1.00 14.51 H new ATOM 0 HG LEU A 31 -21.782 -26.225 -7.501 1.00 40.51 H new ATOM 0 HD11 LEU A 31 -19.833 -26.395 -5.964 1.00 1.44 H new ATOM 0 HD12 LEU A 31 -19.667 -27.465 -7.376 1.00 1.44 H new ATOM 0 HD13 LEU A 31 -18.751 -25.941 -7.302 1.00 1.44 H new ATOM 0 HD21 LEU A 31 -21.129 -24.266 -6.115 1.00 72.23 H new ATOM 0 HD22 LEU A 31 -20.136 -23.657 -7.460 1.00 72.23 H new ATOM 0 HD23 LEU A 31 -21.902 -23.779 -7.642 1.00 72.23 H new ATOM 469 N MET A 32 -21.682 -26.211 -12.257 1.00 62.42 N ATOM 470 CA MET A 32 -21.343 -26.406 -13.683 1.00 53.44 C ATOM 471 C MET A 32 -22.266 -25.601 -14.615 1.00 63.43 C ATOM 472 O MET A 32 -21.784 -24.951 -15.545 1.00 50.12 O ATOM 473 CB MET A 32 -21.382 -27.912 -14.057 1.00 54.54 C ATOM 474 CG MET A 32 -21.130 -28.229 -15.549 1.00 45.12 C ATOM 475 SD MET A 32 -19.504 -27.692 -16.124 1.00 63.32 S ATOM 476 CE MET A 32 -19.460 -28.311 -17.807 1.00 10.21 C ATOM 0 H MET A 32 -22.026 -27.055 -11.800 1.00 62.42 H new ATOM 0 HA MET A 32 -20.329 -26.032 -13.823 1.00 53.44 H new ATOM 0 HB2 MET A 32 -20.636 -28.437 -13.460 1.00 54.54 H new ATOM 0 HB3 MET A 32 -22.356 -28.314 -13.777 1.00 54.54 H new ATOM 0 HG2 MET A 32 -21.228 -29.303 -15.707 1.00 45.12 H new ATOM 0 HG3 MET A 32 -21.899 -27.746 -16.152 1.00 45.12 H new ATOM 0 HE1 MET A 32 -18.509 -28.044 -18.268 1.00 10.21 H new ATOM 0 HE2 MET A 32 -19.568 -29.396 -17.799 1.00 10.21 H new ATOM 0 HE3 MET A 32 -20.277 -27.870 -18.378 1.00 10.21 H new ATOM 486 N VAL A 33 -23.588 -25.649 -14.363 1.00 73.02 N ATOM 487 CA VAL A 33 -24.596 -25.015 -15.247 1.00 53.14 C ATOM 488 C VAL A 33 -24.434 -23.478 -15.292 1.00 44.42 C ATOM 489 O VAL A 33 -24.492 -22.882 -16.375 1.00 70.14 O ATOM 490 CB VAL A 33 -26.071 -25.428 -14.863 1.00 13.24 C ATOM 491 CG1 VAL A 33 -26.423 -25.072 -13.403 1.00 35.14 C ATOM 492 CG2 VAL A 33 -27.115 -24.837 -15.854 1.00 51.23 C ATOM 0 H VAL A 33 -23.988 -26.121 -13.552 1.00 73.02 H new ATOM 0 HA VAL A 33 -24.410 -25.393 -16.252 1.00 53.14 H new ATOM 0 HB VAL A 33 -26.115 -26.514 -14.945 1.00 13.24 H new ATOM 0 HG11 VAL A 33 -27.448 -25.377 -13.191 1.00 35.14 H new ATOM 0 HG12 VAL A 33 -25.743 -25.591 -12.728 1.00 35.14 H new ATOM 0 HG13 VAL A 33 -26.327 -23.996 -13.258 1.00 35.14 H new ATOM 0 HG21 VAL A 33 -28.117 -25.145 -15.554 1.00 51.23 H new ATOM 0 HG22 VAL A 33 -27.052 -23.749 -15.843 1.00 51.23 H new ATOM 0 HG23 VAL A 33 -26.909 -25.203 -16.860 1.00 51.23 H new ATOM 502 N HIS A 34 -24.185 -22.851 -14.124 1.00 43.12 N ATOM 503 CA HIS A 34 -23.944 -21.393 -14.034 1.00 74.55 C ATOM 504 C HIS A 34 -22.648 -21.017 -14.763 1.00 44.44 C ATOM 505 O HIS A 34 -22.629 -20.081 -15.575 1.00 15.23 O ATOM 506 CB HIS A 34 -23.875 -20.903 -12.558 1.00 70.21 C ATOM 507 CG HIS A 34 -25.211 -20.814 -11.861 1.00 74.14 C ATOM 508 ND1 HIS A 34 -25.735 -19.632 -11.382 1.00 22.15 N ATOM 509 CD2 HIS A 34 -26.117 -21.765 -11.544 1.00 60.05 C ATOM 510 CE1 HIS A 34 -26.894 -19.867 -10.805 1.00 42.43 C ATOM 511 NE2 HIS A 34 -27.149 -21.152 -10.885 1.00 62.14 N ATOM 0 H HIS A 34 -24.145 -23.333 -13.226 1.00 43.12 H new ATOM 0 HA HIS A 34 -24.789 -20.899 -14.513 1.00 74.55 H new ATOM 0 HB2 HIS A 34 -23.231 -21.578 -11.995 1.00 70.21 H new ATOM 0 HB3 HIS A 34 -23.403 -19.921 -12.537 1.00 70.21 H new ATOM 0 HD2 HIS A 34 -26.041 -22.818 -11.770 1.00 60.05 H new ATOM 0 HE1 HIS A 34 -27.529 -19.126 -10.343 1.00 42.43 H new ATOM 0 HE2 HIS A 34 -27.979 -21.617 -10.517 1.00 62.14 H new ATOM 520 N LYS A 35 -21.584 -21.772 -14.467 1.00 13.13 N ATOM 521 CA LYS A 35 -20.238 -21.520 -14.995 1.00 32.41 C ATOM 522 C LYS A 35 -20.225 -21.592 -16.532 1.00 74.22 C ATOM 523 O LYS A 35 -19.741 -20.672 -17.197 1.00 13.34 O ATOM 524 CB LYS A 35 -19.238 -22.528 -14.379 1.00 13.14 C ATOM 525 CG LYS A 35 -17.765 -22.313 -14.786 1.00 44.35 C ATOM 526 CD LYS A 35 -17.210 -20.948 -14.338 1.00 63.14 C ATOM 527 CE LYS A 35 -15.751 -20.723 -14.767 1.00 43.43 C ATOM 528 NZ LYS A 35 -15.266 -19.395 -14.318 1.00 71.52 N ATOM 0 H LYS A 35 -21.633 -22.582 -13.849 1.00 13.13 H new ATOM 0 HA LYS A 35 -19.934 -20.511 -14.715 1.00 32.41 H new ATOM 0 HB2 LYS A 35 -19.311 -22.473 -13.293 1.00 13.14 H new ATOM 0 HB3 LYS A 35 -19.536 -23.536 -14.668 1.00 13.14 H new ATOM 0 HG2 LYS A 35 -17.155 -23.106 -14.354 1.00 44.35 H new ATOM 0 HG3 LYS A 35 -17.677 -22.397 -15.869 1.00 44.35 H new ATOM 0 HD2 LYS A 35 -17.832 -20.155 -14.754 1.00 63.14 H new ATOM 0 HD3 LYS A 35 -17.280 -20.872 -13.253 1.00 63.14 H new ATOM 0 HE2 LYS A 35 -15.120 -21.506 -14.347 1.00 43.43 H new ATOM 0 HE3 LYS A 35 -15.671 -20.796 -15.852 1.00 43.43 H new ATOM 0 HZ1 LYS A 35 -14.279 -19.266 -14.619 1.00 71.52 H new ATOM 0 HZ2 LYS A 35 -15.857 -18.649 -14.738 1.00 71.52 H new ATOM 0 HZ3 LYS A 35 -15.322 -19.337 -13.281 1.00 71.52 H new ATOM 542 N ARG A 36 -20.800 -22.677 -17.072 1.00 43.14 N ATOM 543 CA ARG A 36 -20.862 -22.942 -18.524 1.00 2.43 C ATOM 544 C ARG A 36 -21.637 -21.813 -19.245 1.00 23.30 C ATOM 545 O ARG A 36 -21.273 -21.415 -20.357 1.00 62.54 O ATOM 546 CB ARG A 36 -21.534 -24.339 -18.808 1.00 73.23 C ATOM 547 CG ARG A 36 -20.741 -25.282 -19.753 1.00 34.32 C ATOM 548 CD ARG A 36 -20.410 -24.660 -21.128 1.00 71.23 C ATOM 549 NE ARG A 36 -21.621 -24.221 -21.856 1.00 33.41 N ATOM 550 CZ ARG A 36 -22.399 -25.001 -22.631 1.00 34.31 C ATOM 551 NH1 ARG A 36 -22.119 -26.291 -22.811 1.00 11.41 N ATOM 552 NH2 ARG A 36 -23.459 -24.480 -23.228 1.00 53.23 N ATOM 0 H ARG A 36 -21.241 -23.405 -16.510 1.00 43.14 H new ATOM 0 HA ARG A 36 -19.844 -22.968 -18.912 1.00 2.43 H new ATOM 0 HB2 ARG A 36 -21.686 -24.850 -17.857 1.00 73.23 H new ATOM 0 HB3 ARG A 36 -22.521 -24.167 -19.239 1.00 73.23 H new ATOM 0 HG2 ARG A 36 -19.811 -25.572 -19.264 1.00 34.32 H new ATOM 0 HG3 ARG A 36 -21.318 -26.194 -19.908 1.00 34.32 H new ATOM 0 HD2 ARG A 36 -19.745 -23.808 -20.987 1.00 71.23 H new ATOM 0 HD3 ARG A 36 -19.870 -25.389 -21.733 1.00 71.23 H new ATOM 0 HE ARG A 36 -21.890 -23.242 -21.763 1.00 33.41 H new ATOM 0 HH11 ARG A 36 -21.304 -26.704 -22.358 1.00 11.41 H new ATOM 0 HH12 ARG A 36 -22.720 -26.866 -23.402 1.00 11.41 H new ATOM 0 HH21 ARG A 36 -23.683 -23.493 -23.100 1.00 53.23 H new ATOM 0 HH22 ARG A 36 -24.052 -25.065 -23.816 1.00 53.23 H new ATOM 566 N SER A 37 -22.711 -21.320 -18.585 1.00 24.20 N ATOM 567 CA SER A 37 -23.549 -20.226 -19.104 1.00 32.31 C ATOM 568 C SER A 37 -22.740 -18.921 -19.248 1.00 65.24 C ATOM 569 O SER A 37 -22.857 -18.226 -20.259 1.00 13.41 O ATOM 570 CB SER A 37 -24.766 -20.005 -18.178 1.00 41.23 C ATOM 571 OG SER A 37 -25.631 -21.130 -18.198 1.00 4.01 O ATOM 0 H SER A 37 -23.017 -21.673 -17.678 1.00 24.20 H new ATOM 0 HA SER A 37 -23.902 -20.510 -20.095 1.00 32.31 H new ATOM 0 HB2 SER A 37 -24.424 -19.823 -17.159 1.00 41.23 H new ATOM 0 HB3 SER A 37 -25.312 -19.116 -18.495 1.00 41.23 H new ATOM 0 HG SER A 37 -25.299 -21.809 -17.575 1.00 4.01 H new ATOM 577 N HIS A 38 -21.895 -18.624 -18.243 1.00 41.25 N ATOM 578 CA HIS A 38 -21.117 -17.367 -18.188 1.00 22.25 C ATOM 579 C HIS A 38 -19.882 -17.453 -19.110 1.00 25.23 C ATOM 580 O HIS A 38 -18.760 -17.712 -18.658 1.00 44.31 O ATOM 581 CB HIS A 38 -20.709 -17.033 -16.723 1.00 45.51 C ATOM 582 CG HIS A 38 -21.874 -16.918 -15.769 1.00 22.24 C ATOM 583 ND1 HIS A 38 -21.910 -17.549 -14.543 1.00 41.45 N ATOM 584 CD2 HIS A 38 -23.047 -16.245 -15.868 1.00 4.23 C ATOM 585 CE1 HIS A 38 -23.049 -17.281 -13.943 1.00 10.32 C ATOM 586 NE2 HIS A 38 -23.754 -16.495 -14.723 1.00 34.33 N ATOM 0 H HIS A 38 -21.731 -19.243 -17.449 1.00 41.25 H new ATOM 0 HA HIS A 38 -21.748 -16.554 -18.548 1.00 22.25 H new ATOM 0 HB2 HIS A 38 -20.032 -17.806 -16.361 1.00 45.51 H new ATOM 0 HB3 HIS A 38 -20.154 -16.095 -16.717 1.00 45.51 H new ATOM 0 HD2 HIS A 38 -23.364 -15.627 -16.695 1.00 4.23 H new ATOM 0 HE1 HIS A 38 -23.353 -17.646 -12.973 1.00 10.32 H new ATOM 0 HE2 HIS A 38 -24.682 -16.129 -14.510 1.00 34.33 H new ATOM 595 N THR A 39 -20.125 -17.272 -20.413 1.00 63.01 N ATOM 596 CA THR A 39 -19.089 -17.306 -21.447 1.00 45.24 C ATOM 597 C THR A 39 -18.293 -15.976 -21.448 1.00 55.42 C ATOM 598 O THR A 39 -18.710 -14.987 -22.058 1.00 72.14 O ATOM 599 CB THR A 39 -19.745 -17.579 -22.847 1.00 1.35 C ATOM 600 OG1 THR A 39 -20.815 -16.642 -23.075 1.00 63.41 O ATOM 601 CG2 THR A 39 -20.304 -19.012 -22.947 1.00 2.34 C ATOM 0 H THR A 39 -21.059 -17.096 -20.782 1.00 63.01 H new ATOM 0 HA THR A 39 -18.390 -18.115 -21.234 1.00 45.24 H new ATOM 0 HB THR A 39 -18.968 -17.460 -23.602 1.00 1.35 H new ATOM 0 HG1 THR A 39 -20.516 -15.740 -22.837 1.00 63.41 H new ATOM 0 HG21 THR A 39 -20.749 -19.161 -23.931 1.00 2.34 H new ATOM 0 HG22 THR A 39 -19.496 -19.729 -22.802 1.00 2.34 H new ATOM 0 HG23 THR A 39 -21.063 -19.161 -22.179 1.00 2.34 H new ATOM 609 N GLY A 40 -17.171 -15.961 -20.704 1.00 71.32 N ATOM 610 CA GLY A 40 -16.307 -14.778 -20.580 1.00 72.22 C ATOM 611 C GLY A 40 -15.040 -14.924 -21.418 1.00 32.14 C ATOM 612 O GLY A 40 -14.432 -16.004 -21.409 1.00 13.12 O ATOM 0 H GLY A 40 -16.841 -16.768 -20.174 1.00 71.32 H new ATOM 0 HA2 GLY A 40 -16.855 -13.891 -20.897 1.00 72.22 H new ATOM 0 HA3 GLY A 40 -16.038 -14.630 -19.534 1.00 72.22 H new ATOM 616 N GLU A 41 -14.645 -13.849 -22.149 1.00 62.50 N ATOM 617 CA GLU A 41 -13.388 -13.833 -22.936 1.00 14.33 C ATOM 618 C GLU A 41 -12.193 -14.050 -22.004 1.00 22.21 C ATOM 619 O GLU A 41 -12.026 -13.308 -21.029 1.00 54.24 O ATOM 620 CB GLU A 41 -13.196 -12.502 -23.716 1.00 42.21 C ATOM 621 CG GLU A 41 -14.216 -12.244 -24.838 1.00 74.11 C ATOM 622 CD GLU A 41 -13.880 -10.983 -25.657 1.00 70.01 C ATOM 623 OE1 GLU A 41 -12.986 -11.061 -26.528 1.00 32.40 O ATOM 624 OE2 GLU A 41 -14.490 -9.915 -25.422 1.00 72.12 O ATOM 0 H GLU A 41 -15.181 -12.983 -22.208 1.00 62.50 H new ATOM 0 HA GLU A 41 -13.453 -14.639 -23.667 1.00 14.33 H new ATOM 0 HB2 GLU A 41 -13.243 -11.675 -23.008 1.00 42.21 H new ATOM 0 HB3 GLU A 41 -12.195 -12.495 -24.148 1.00 42.21 H new ATOM 0 HG2 GLU A 41 -14.248 -13.108 -25.502 1.00 74.11 H new ATOM 0 HG3 GLU A 41 -15.210 -12.138 -24.404 1.00 74.11 H new ATOM 631 N ARG A 42 -11.392 -15.076 -22.329 1.00 14.21 N ATOM 632 CA ARG A 42 -10.241 -15.530 -21.534 1.00 21.13 C ATOM 633 C ARG A 42 -9.244 -14.370 -21.282 1.00 62.34 C ATOM 634 O ARG A 42 -9.053 -13.539 -22.172 1.00 1.53 O ATOM 635 CB ARG A 42 -9.528 -16.679 -22.318 1.00 35.04 C ATOM 636 CG ARG A 42 -8.598 -17.589 -21.485 1.00 65.42 C ATOM 637 CD ARG A 42 -9.377 -18.460 -20.491 1.00 22.02 C ATOM 638 NE ARG A 42 -10.420 -19.263 -21.166 1.00 54.52 N ATOM 639 CZ ARG A 42 -11.562 -19.695 -20.608 1.00 73.31 C ATOM 640 NH1 ARG A 42 -11.852 -19.425 -19.338 1.00 50.30 N ATOM 641 NH2 ARG A 42 -12.431 -20.372 -21.344 1.00 74.50 N ATOM 0 H ARG A 42 -11.531 -15.628 -23.175 1.00 14.21 H new ATOM 0 HA ARG A 42 -10.590 -15.885 -20.564 1.00 21.13 H new ATOM 0 HB2 ARG A 42 -10.291 -17.302 -22.785 1.00 35.04 H new ATOM 0 HB3 ARG A 42 -8.943 -16.235 -23.123 1.00 35.04 H new ATOM 0 HG2 ARG A 42 -8.024 -18.230 -22.155 1.00 65.42 H new ATOM 0 HG3 ARG A 42 -7.881 -16.973 -20.942 1.00 65.42 H new ATOM 0 HD2 ARG A 42 -8.687 -19.124 -19.971 1.00 22.02 H new ATOM 0 HD3 ARG A 42 -9.839 -17.825 -19.735 1.00 22.02 H new ATOM 0 HE ARG A 42 -10.257 -19.510 -22.142 1.00 54.52 H new ATOM 0 HH11 ARG A 42 -11.202 -18.881 -18.771 1.00 50.30 H new ATOM 0 HH12 ARG A 42 -12.725 -19.762 -18.931 1.00 50.30 H new ATOM 0 HH21 ARG A 42 -12.230 -20.561 -22.326 1.00 74.50 H new ATOM 0 HH22 ARG A 42 -13.301 -20.704 -20.929 1.00 74.50 H new ATOM 655 N PRO A 43 -8.629 -14.257 -20.059 1.00 61.34 N ATOM 656 CA PRO A 43 -7.478 -13.357 -19.857 1.00 3.54 C ATOM 657 C PRO A 43 -6.293 -13.784 -20.760 1.00 21.31 C ATOM 658 O PRO A 43 -5.504 -14.665 -20.412 1.00 30.21 O ATOM 659 CB PRO A 43 -7.166 -13.474 -18.337 1.00 51.32 C ATOM 660 CG PRO A 43 -7.828 -14.742 -17.894 1.00 34.42 C ATOM 661 CD PRO A 43 -9.037 -14.918 -18.790 1.00 33.14 C ATOM 0 HA PRO A 43 -7.677 -12.322 -20.134 1.00 3.54 H new ATOM 0 HB2 PRO A 43 -6.091 -13.508 -18.158 1.00 51.32 H new ATOM 0 HB3 PRO A 43 -7.554 -12.615 -17.789 1.00 51.32 H new ATOM 0 HG2 PRO A 43 -7.148 -15.589 -17.985 1.00 34.42 H new ATOM 0 HG3 PRO A 43 -8.124 -14.682 -16.847 1.00 34.42 H new ATOM 0 HD2 PRO A 43 -9.272 -15.971 -18.944 1.00 33.14 H new ATOM 0 HD3 PRO A 43 -9.925 -14.452 -18.362 1.00 33.14 H new ATOM 669 N PHE A 44 -6.266 -13.179 -21.958 1.00 50.12 N ATOM 670 CA PHE A 44 -5.266 -13.432 -22.995 1.00 54.41 C ATOM 671 C PHE A 44 -3.872 -12.958 -22.548 1.00 62.03 C ATOM 672 O PHE A 44 -3.485 -11.809 -22.782 1.00 20.14 O ATOM 673 CB PHE A 44 -5.702 -12.723 -24.303 1.00 63.24 C ATOM 674 CG PHE A 44 -7.036 -13.208 -24.857 1.00 50.44 C ATOM 675 CD1 PHE A 44 -7.182 -14.526 -25.265 1.00 1.33 C ATOM 676 CD2 PHE A 44 -8.140 -12.365 -24.941 1.00 53.25 C ATOM 677 CE1 PHE A 44 -8.384 -14.984 -25.753 1.00 45.42 C ATOM 678 CE2 PHE A 44 -9.347 -12.823 -25.430 1.00 42.01 C ATOM 679 CZ PHE A 44 -9.467 -14.136 -25.832 1.00 55.11 C ATOM 0 H PHE A 44 -6.959 -12.483 -22.234 1.00 50.12 H new ATOM 0 HA PHE A 44 -5.199 -14.505 -23.173 1.00 54.41 H new ATOM 0 HB2 PHE A 44 -5.765 -11.651 -24.119 1.00 63.24 H new ATOM 0 HB3 PHE A 44 -4.931 -12.872 -25.059 1.00 63.24 H new ATOM 0 HD1 PHE A 44 -6.341 -15.201 -25.199 1.00 1.33 H new ATOM 0 HD2 PHE A 44 -8.051 -11.338 -24.619 1.00 53.25 H new ATOM 0 HE1 PHE A 44 -8.479 -16.011 -26.075 1.00 45.42 H new ATOM 0 HE2 PHE A 44 -10.193 -12.156 -25.497 1.00 42.01 H new ATOM 0 HZ PHE A 44 -10.411 -14.500 -26.209 1.00 55.11 H new ATOM 689 N HIS A 45 -3.143 -13.847 -21.865 1.00 12.54 N ATOM 690 CA HIS A 45 -1.804 -13.560 -21.330 1.00 70.45 C ATOM 691 C HIS A 45 -0.732 -14.246 -22.173 1.00 12.24 C ATOM 692 O HIS A 45 -0.928 -15.359 -22.673 1.00 22.41 O ATOM 693 CB HIS A 45 -1.687 -13.991 -19.842 1.00 51.20 C ATOM 694 CG HIS A 45 -1.886 -15.451 -19.572 1.00 40.04 C ATOM 695 ND1 HIS A 45 -3.125 -16.021 -19.401 1.00 71.15 N ATOM 696 CD2 HIS A 45 -0.992 -16.456 -19.423 1.00 74.14 C ATOM 697 CE1 HIS A 45 -2.989 -17.305 -19.176 1.00 64.35 C ATOM 698 NE2 HIS A 45 -1.706 -17.596 -19.183 1.00 62.43 N ATOM 0 H HIS A 45 -3.466 -14.794 -21.665 1.00 12.54 H new ATOM 0 HA HIS A 45 -1.648 -12.482 -21.379 1.00 70.45 H new ATOM 0 HB2 HIS A 45 -0.701 -13.703 -19.476 1.00 51.20 H new ATOM 0 HB3 HIS A 45 -2.419 -13.430 -19.261 1.00 51.20 H new ATOM 0 HD1 HIS A 45 -4.013 -15.522 -19.443 1.00 71.15 H new ATOM 0 HD2 HIS A 45 0.083 -16.373 -19.483 1.00 74.14 H new ATOM 0 HE1 HIS A 45 -3.794 -18.006 -19.012 1.00 64.35 H new ATOM 707 N CYS A 46 0.394 -13.555 -22.326 1.00 51.31 N ATOM 708 CA CYS A 46 1.599 -14.078 -22.963 1.00 3.11 C ATOM 709 C CYS A 46 2.536 -14.563 -21.829 1.00 2.31 C ATOM 710 O CYS A 46 3.018 -13.735 -21.034 1.00 61.22 O ATOM 711 CB CYS A 46 2.222 -12.949 -23.813 1.00 33.23 C ATOM 712 SG CYS A 46 3.190 -13.510 -25.233 1.00 12.34 S ATOM 0 H CYS A 46 0.496 -12.593 -22.003 1.00 51.31 H new ATOM 0 HA CYS A 46 1.401 -14.917 -23.631 1.00 3.11 H new ATOM 0 HB2 CYS A 46 1.423 -12.300 -24.170 1.00 33.23 H new ATOM 0 HB3 CYS A 46 2.862 -12.343 -23.172 1.00 33.23 H new ATOM 0 HG CYS A 46 4.223 -12.736 -25.387 1.00 12.34 H new ATOM 717 N ASN A 47 2.774 -15.893 -21.781 1.00 42.11 N ATOM 718 CA ASN A 47 3.333 -16.615 -20.602 1.00 53.34 C ATOM 719 C ASN A 47 4.699 -16.062 -20.114 1.00 73.03 C ATOM 720 O ASN A 47 4.758 -15.330 -19.115 1.00 41.22 O ATOM 721 CB ASN A 47 3.453 -18.145 -20.898 1.00 61.04 C ATOM 722 CG ASN A 47 2.124 -18.835 -21.204 1.00 71.32 C ATOM 723 OD1 ASN A 47 1.068 -18.433 -20.712 1.00 40.42 O ATOM 724 ND2 ASN A 47 2.169 -19.890 -21.997 1.00 71.43 N ATOM 0 H ASN A 47 2.582 -16.510 -22.570 1.00 42.11 H new ATOM 0 HA ASN A 47 2.624 -16.446 -19.791 1.00 53.34 H new ATOM 0 HB2 ASN A 47 4.126 -18.287 -21.744 1.00 61.04 H new ATOM 0 HB3 ASN A 47 3.913 -18.634 -20.039 1.00 61.04 H new ATOM 0 HD21 ASN A 47 1.313 -20.398 -22.219 1.00 71.43 H new ATOM 0 HD22 ASN A 47 3.060 -20.197 -22.388 1.00 71.43 H new ATOM 731 N GLN A 48 5.785 -16.380 -20.849 1.00 13.12 N ATOM 732 CA GLN A 48 7.175 -16.024 -20.428 1.00 41.21 C ATOM 733 C GLN A 48 7.538 -14.557 -20.746 1.00 62.50 C ATOM 734 O GLN A 48 8.684 -14.144 -20.537 1.00 64.02 O ATOM 735 CB GLN A 48 8.199 -17.023 -21.049 1.00 51.34 C ATOM 736 CG GLN A 48 8.186 -17.092 -22.582 1.00 41.10 C ATOM 737 CD GLN A 48 9.120 -18.165 -23.160 1.00 21.14 C ATOM 738 OE1 GLN A 48 8.717 -19.315 -23.351 1.00 33.45 O ATOM 739 NE2 GLN A 48 10.368 -17.805 -23.424 1.00 63.13 N ATOM 0 H GLN A 48 5.737 -16.881 -21.736 1.00 13.12 H new ATOM 0 HA GLN A 48 7.221 -16.111 -19.343 1.00 41.21 H new ATOM 0 HB2 GLN A 48 9.201 -16.745 -20.721 1.00 51.34 H new ATOM 0 HB3 GLN A 48 7.999 -18.019 -20.653 1.00 51.34 H new ATOM 0 HG2 GLN A 48 7.168 -17.289 -22.919 1.00 41.10 H new ATOM 0 HG3 GLN A 48 8.472 -16.120 -22.983 1.00 41.10 H new ATOM 0 HE21 GLN A 48 10.669 -16.845 -23.254 1.00 63.13 H new ATOM 0 HE22 GLN A 48 11.028 -18.488 -23.797 1.00 63.13 H new ATOM 748 N CYS A 49 6.560 -13.788 -21.259 1.00 1.25 N ATOM 749 CA CYS A 49 6.661 -12.322 -21.372 1.00 22.23 C ATOM 750 C CYS A 49 6.276 -11.684 -20.030 1.00 31.41 C ATOM 751 O CYS A 49 6.860 -10.682 -19.616 1.00 34.14 O ATOM 752 CB CYS A 49 5.726 -11.822 -22.486 1.00 52.12 C ATOM 753 SG CYS A 49 5.857 -12.795 -24.028 1.00 13.32 S ATOM 0 H CYS A 49 5.678 -14.165 -21.606 1.00 1.25 H new ATOM 0 HA CYS A 49 7.684 -12.042 -21.622 1.00 22.23 H new ATOM 0 HB2 CYS A 49 4.697 -11.855 -22.129 1.00 52.12 H new ATOM 0 HB3 CYS A 49 5.955 -10.778 -22.702 1.00 52.12 H new ATOM 0 HG CYS A 49 4.709 -13.344 -24.293 1.00 13.32 H new ATOM 758 N GLY A 50 5.279 -12.310 -19.373 1.00 15.04 N ATOM 759 CA GLY A 50 4.681 -11.789 -18.135 1.00 4.50 C ATOM 760 C GLY A 50 3.789 -10.581 -18.399 1.00 63.42 C ATOM 761 O GLY A 50 3.745 -9.638 -17.597 1.00 34.41 O ATOM 0 H GLY A 50 4.869 -13.189 -19.688 1.00 15.04 H new ATOM 0 HA2 GLY A 50 4.096 -12.574 -17.656 1.00 4.50 H new ATOM 0 HA3 GLY A 50 5.472 -11.511 -17.439 1.00 4.50 H new ATOM 765 N ALA A 51 3.094 -10.607 -19.554 1.00 45.44 N ATOM 766 CA ALA A 51 2.193 -9.525 -19.994 1.00 74.22 C ATOM 767 C ALA A 51 0.777 -10.096 -20.181 1.00 20.44 C ATOM 768 O ALA A 51 0.513 -10.801 -21.161 1.00 34.55 O ATOM 769 CB ALA A 51 2.729 -8.883 -21.288 1.00 50.44 C ATOM 0 H ALA A 51 3.143 -11.385 -20.212 1.00 45.44 H new ATOM 0 HA ALA A 51 2.150 -8.741 -19.238 1.00 74.22 H new ATOM 0 HB1 ALA A 51 2.056 -8.086 -21.604 1.00 50.44 H new ATOM 0 HB2 ALA A 51 3.721 -8.470 -21.105 1.00 50.44 H new ATOM 0 HB3 ALA A 51 2.789 -9.639 -22.071 1.00 50.44 H new ATOM 775 N SER A 52 -0.123 -9.810 -19.220 1.00 50.00 N ATOM 776 CA SER A 52 -1.476 -10.400 -19.166 1.00 41.11 C ATOM 777 C SER A 52 -2.527 -9.362 -19.589 1.00 0.41 C ATOM 778 O SER A 52 -2.544 -8.246 -19.061 1.00 11.33 O ATOM 779 CB SER A 52 -1.757 -10.927 -17.734 1.00 32.30 C ATOM 780 OG SER A 52 -2.929 -11.735 -17.690 1.00 41.25 O ATOM 0 H SER A 52 0.068 -9.161 -18.457 1.00 50.00 H new ATOM 0 HA SER A 52 -1.534 -11.237 -19.862 1.00 41.11 H new ATOM 0 HB2 SER A 52 -0.902 -11.507 -17.385 1.00 32.30 H new ATOM 0 HB3 SER A 52 -1.870 -10.084 -17.052 1.00 32.30 H new ATOM 0 HG SER A 52 -3.074 -12.051 -16.774 1.00 41.25 H new ATOM 786 N PHE A 53 -3.400 -9.739 -20.540 1.00 31.21 N ATOM 787 CA PHE A 53 -4.431 -8.841 -21.112 1.00 73.21 C ATOM 788 C PHE A 53 -5.820 -9.467 -20.939 1.00 64.41 C ATOM 789 O PHE A 53 -5.974 -10.662 -21.104 1.00 73.20 O ATOM 790 CB PHE A 53 -4.140 -8.589 -22.617 1.00 71.42 C ATOM 791 CG PHE A 53 -2.693 -8.168 -22.904 1.00 60.22 C ATOM 792 CD1 PHE A 53 -2.236 -6.895 -22.557 1.00 32.13 C ATOM 793 CD2 PHE A 53 -1.785 -9.044 -23.506 1.00 41.42 C ATOM 794 CE1 PHE A 53 -0.927 -6.516 -22.801 1.00 71.42 C ATOM 795 CE2 PHE A 53 -0.480 -8.662 -23.747 1.00 32.40 C ATOM 796 CZ PHE A 53 -0.052 -7.395 -23.401 1.00 64.30 C ATOM 0 H PHE A 53 -3.414 -10.678 -20.938 1.00 31.21 H new ATOM 0 HA PHE A 53 -4.405 -7.887 -20.586 1.00 73.21 H new ATOM 0 HB2 PHE A 53 -4.363 -9.497 -23.178 1.00 71.42 H new ATOM 0 HB3 PHE A 53 -4.814 -7.814 -22.983 1.00 71.42 H new ATOM 0 HD1 PHE A 53 -2.914 -6.195 -22.091 1.00 32.13 H new ATOM 0 HD2 PHE A 53 -2.109 -10.035 -23.787 1.00 41.42 H new ATOM 0 HE1 PHE A 53 -0.591 -5.529 -22.520 1.00 71.42 H new ATOM 0 HE2 PHE A 53 0.208 -9.356 -24.207 1.00 32.40 H new ATOM 0 HZ PHE A 53 0.966 -7.094 -23.600 1.00 64.30 H new ATOM 806 N THR A 54 -6.823 -8.653 -20.588 1.00 5.21 N ATOM 807 CA THR A 54 -8.226 -9.108 -20.495 1.00 13.42 C ATOM 808 C THR A 54 -8.895 -9.153 -21.894 1.00 53.10 C ATOM 809 O THR A 54 -9.942 -9.788 -22.060 1.00 74.34 O ATOM 810 CB THR A 54 -9.065 -8.202 -19.511 1.00 62.24 C ATOM 811 OG1 THR A 54 -10.408 -8.712 -19.360 1.00 72.23 O ATOM 812 CG2 THR A 54 -9.127 -6.736 -19.972 1.00 2.13 C ATOM 0 H THR A 54 -6.693 -7.667 -20.361 1.00 5.21 H new ATOM 0 HA THR A 54 -8.210 -10.120 -20.090 1.00 13.42 H new ATOM 0 HB THR A 54 -8.550 -8.233 -18.551 1.00 62.24 H new ATOM 0 HG1 THR A 54 -10.682 -9.162 -20.186 1.00 72.23 H new ATOM 0 HG21 THR A 54 -9.715 -6.156 -19.261 1.00 2.13 H new ATOM 0 HG22 THR A 54 -8.117 -6.328 -20.026 1.00 2.13 H new ATOM 0 HG23 THR A 54 -9.592 -6.683 -20.956 1.00 2.13 H new ATOM 820 N GLN A 55 -8.280 -8.481 -22.898 1.00 64.11 N ATOM 821 CA GLN A 55 -8.847 -8.360 -24.257 1.00 12.31 C ATOM 822 C GLN A 55 -7.867 -8.814 -25.346 1.00 33.32 C ATOM 823 O GLN A 55 -6.637 -8.650 -25.237 1.00 12.00 O ATOM 824 CB GLN A 55 -9.337 -6.903 -24.532 1.00 65.13 C ATOM 825 CG GLN A 55 -10.745 -6.590 -23.970 1.00 1.33 C ATOM 826 CD GLN A 55 -11.854 -7.466 -24.586 1.00 53.21 C ATOM 827 OE1 GLN A 55 -11.770 -7.898 -25.740 1.00 1.21 O ATOM 828 NE2 GLN A 55 -12.906 -7.722 -23.830 1.00 62.31 N ATOM 0 H GLN A 55 -7.382 -8.011 -22.786 1.00 64.11 H new ATOM 0 HA GLN A 55 -9.705 -9.032 -24.298 1.00 12.31 H new ATOM 0 HB2 GLN A 55 -8.622 -6.203 -24.099 1.00 65.13 H new ATOM 0 HB3 GLN A 55 -9.341 -6.730 -25.608 1.00 65.13 H new ATOM 0 HG2 GLN A 55 -10.737 -6.732 -22.889 1.00 1.33 H new ATOM 0 HG3 GLN A 55 -10.977 -5.541 -24.152 1.00 1.33 H new ATOM 0 HE21 GLN A 55 -12.953 -7.354 -22.880 1.00 62.31 H new ATOM 0 HE22 GLN A 55 -13.672 -8.288 -24.196 1.00 62.31 H new ATOM 837 N LYS A 56 -8.484 -9.386 -26.397 1.00 1.54 N ATOM 838 CA LYS A 56 -7.836 -9.854 -27.631 1.00 11.24 C ATOM 839 C LYS A 56 -7.058 -8.728 -28.333 1.00 30.44 C ATOM 840 O LYS A 56 -5.948 -8.962 -28.795 1.00 2.10 O ATOM 841 CB LYS A 56 -8.932 -10.445 -28.574 1.00 71.04 C ATOM 842 CG LYS A 56 -10.121 -9.481 -28.816 1.00 32.42 C ATOM 843 CD LYS A 56 -11.310 -10.110 -29.574 1.00 74.35 C ATOM 844 CE LYS A 56 -12.515 -9.146 -29.641 1.00 14.44 C ATOM 845 NZ LYS A 56 -12.972 -8.711 -28.284 1.00 10.20 N ATOM 0 H LYS A 56 -9.492 -9.540 -26.407 1.00 1.54 H new ATOM 0 HA LYS A 56 -7.107 -10.624 -27.378 1.00 11.24 H new ATOM 0 HB2 LYS A 56 -8.478 -10.698 -29.532 1.00 71.04 H new ATOM 0 HB3 LYS A 56 -9.308 -11.373 -28.144 1.00 71.04 H new ATOM 0 HG2 LYS A 56 -10.475 -9.111 -27.853 1.00 32.42 H new ATOM 0 HG3 LYS A 56 -9.764 -8.618 -29.377 1.00 32.42 H new ATOM 0 HD2 LYS A 56 -10.999 -10.375 -30.584 1.00 74.35 H new ATOM 0 HD3 LYS A 56 -11.610 -11.034 -29.080 1.00 74.35 H new ATOM 0 HE2 LYS A 56 -12.243 -8.269 -30.229 1.00 14.44 H new ATOM 0 HE3 LYS A 56 -13.340 -9.635 -30.160 1.00 14.44 H new ATOM 0 HZ1 LYS A 56 -13.894 -8.237 -28.364 1.00 10.20 H new ATOM 0 HZ2 LYS A 56 -13.063 -9.542 -27.665 1.00 10.20 H new ATOM 0 HZ3 LYS A 56 -12.277 -8.052 -27.879 1.00 10.20 H new ATOM 859 N GLY A 57 -7.630 -7.503 -28.343 1.00 45.21 N ATOM 860 CA GLY A 57 -7.031 -6.355 -29.045 1.00 33.42 C ATOM 861 C GLY A 57 -5.604 -6.044 -28.608 1.00 54.42 C ATOM 862 O GLY A 57 -4.745 -5.689 -29.430 1.00 65.22 O ATOM 0 H GLY A 57 -8.508 -7.288 -27.870 1.00 45.21 H new ATOM 0 HA2 GLY A 57 -7.038 -6.552 -30.117 1.00 33.42 H new ATOM 0 HA3 GLY A 57 -7.652 -5.475 -28.879 1.00 33.42 H new ATOM 866 N ASN A 58 -5.357 -6.217 -27.308 1.00 20.34 N ATOM 867 CA ASN A 58 -4.049 -5.947 -26.689 1.00 70.10 C ATOM 868 C ASN A 58 -3.077 -7.119 -26.918 1.00 63.41 C ATOM 869 O ASN A 58 -1.876 -6.903 -27.140 1.00 0.21 O ATOM 870 CB ASN A 58 -4.246 -5.664 -25.183 1.00 15.32 C ATOM 871 CG ASN A 58 -5.217 -4.507 -24.896 1.00 30.04 C ATOM 872 OD1 ASN A 58 -5.378 -3.590 -25.702 1.00 32.30 O ATOM 873 ND2 ASN A 58 -5.866 -4.554 -23.748 1.00 74.02 N ATOM 0 H ASN A 58 -6.060 -6.550 -26.648 1.00 20.34 H new ATOM 0 HA ASN A 58 -3.605 -5.068 -27.157 1.00 70.10 H new ATOM 0 HB2 ASN A 58 -4.616 -6.567 -24.698 1.00 15.32 H new ATOM 0 HB3 ASN A 58 -3.279 -5.435 -24.735 1.00 15.32 H new ATOM 0 HD21 ASN A 58 -6.526 -3.815 -23.505 1.00 74.02 H new ATOM 0 HD22 ASN A 58 -5.708 -5.329 -23.104 1.00 74.02 H new ATOM 880 N LEU A 59 -3.603 -8.360 -26.866 1.00 1.13 N ATOM 881 CA LEU A 59 -2.798 -9.573 -27.099 1.00 65.12 C ATOM 882 C LEU A 59 -2.249 -9.585 -28.536 1.00 25.53 C ATOM 883 O LEU A 59 -1.048 -9.736 -28.749 1.00 74.44 O ATOM 884 CB LEU A 59 -3.624 -10.867 -26.871 1.00 50.34 C ATOM 885 CG LEU A 59 -2.827 -12.199 -27.096 1.00 25.54 C ATOM 886 CD1 LEU A 59 -1.860 -12.501 -25.927 1.00 63.34 C ATOM 887 CD2 LEU A 59 -3.768 -13.387 -27.396 1.00 33.40 C ATOM 0 H LEU A 59 -4.585 -8.547 -26.664 1.00 1.13 H new ATOM 0 HA LEU A 59 -1.977 -9.552 -26.383 1.00 65.12 H new ATOM 0 HB2 LEU A 59 -4.013 -10.859 -25.853 1.00 50.34 H new ATOM 0 HB3 LEU A 59 -4.484 -10.856 -27.541 1.00 50.34 H new ATOM 0 HG LEU A 59 -2.209 -12.055 -27.982 1.00 25.54 H new ATOM 0 HD11 LEU A 59 -1.329 -13.432 -26.125 1.00 63.34 H new ATOM 0 HD12 LEU A 59 -1.141 -11.687 -25.830 1.00 63.34 H new ATOM 0 HD13 LEU A 59 -2.427 -12.597 -25.001 1.00 63.34 H new ATOM 0 HD21 LEU A 59 -3.177 -14.291 -27.546 1.00 33.40 H new ATOM 0 HD22 LEU A 59 -4.448 -13.533 -26.557 1.00 33.40 H new ATOM 0 HD23 LEU A 59 -4.344 -13.177 -28.297 1.00 33.40 H new ATOM 899 N LEU A 60 -3.170 -9.402 -29.499 1.00 2.11 N ATOM 900 CA LEU A 60 -2.891 -9.456 -30.949 1.00 4.43 C ATOM 901 C LEU A 60 -1.832 -8.422 -31.363 1.00 15.54 C ATOM 902 O LEU A 60 -1.088 -8.644 -32.327 1.00 42.14 O ATOM 903 CB LEU A 60 -4.213 -9.241 -31.734 1.00 42.34 C ATOM 904 CG LEU A 60 -5.319 -10.330 -31.526 1.00 62.12 C ATOM 905 CD1 LEU A 60 -6.643 -9.935 -32.228 1.00 72.33 C ATOM 906 CD2 LEU A 60 -4.832 -11.728 -31.977 1.00 40.23 C ATOM 0 H LEU A 60 -4.149 -9.208 -29.289 1.00 2.11 H new ATOM 0 HA LEU A 60 -2.484 -10.438 -31.188 1.00 4.43 H new ATOM 0 HB2 LEU A 60 -4.627 -8.273 -31.452 1.00 42.34 H new ATOM 0 HB3 LEU A 60 -3.977 -9.189 -32.797 1.00 42.34 H new ATOM 0 HG LEU A 60 -5.522 -10.387 -30.457 1.00 62.12 H new ATOM 0 HD11 LEU A 60 -7.388 -10.713 -32.063 1.00 72.33 H new ATOM 0 HD12 LEU A 60 -7.005 -8.992 -31.818 1.00 72.33 H new ATOM 0 HD13 LEU A 60 -6.468 -9.821 -33.298 1.00 72.33 H new ATOM 0 HD21 LEU A 60 -5.625 -12.458 -31.818 1.00 40.23 H new ATOM 0 HD22 LEU A 60 -4.572 -11.699 -33.035 1.00 40.23 H new ATOM 0 HD23 LEU A 60 -3.955 -12.013 -31.396 1.00 40.23 H new ATOM 918 N ARG A 61 -1.780 -7.300 -30.626 1.00 21.22 N ATOM 919 CA ARG A 61 -0.731 -6.283 -30.793 1.00 63.43 C ATOM 920 C ARG A 61 0.617 -6.841 -30.317 1.00 73.50 C ATOM 921 O ARG A 61 1.588 -6.878 -31.071 1.00 3.10 O ATOM 922 CB ARG A 61 -1.088 -5.001 -29.986 1.00 23.24 C ATOM 923 CG ARG A 61 -0.081 -3.832 -30.148 1.00 51.21 C ATOM 924 CD ARG A 61 -0.412 -2.628 -29.249 1.00 0.04 C ATOM 925 NE ARG A 61 -1.759 -2.068 -29.516 1.00 25.54 N ATOM 926 CZ ARG A 61 -2.744 -1.918 -28.608 1.00 21.45 C ATOM 927 NH1 ARG A 61 -2.564 -2.278 -27.339 1.00 24.23 N ATOM 928 NH2 ARG A 61 -3.907 -1.403 -28.978 1.00 73.11 N ATOM 0 H ARG A 61 -2.461 -7.074 -29.901 1.00 21.22 H new ATOM 0 HA ARG A 61 -0.659 -6.024 -31.849 1.00 63.43 H new ATOM 0 HB2 ARG A 61 -2.075 -4.657 -30.294 1.00 23.24 H new ATOM 0 HB3 ARG A 61 -1.156 -5.260 -28.929 1.00 23.24 H new ATOM 0 HG2 ARG A 61 0.922 -4.188 -29.915 1.00 51.21 H new ATOM 0 HG3 ARG A 61 -0.071 -3.510 -31.189 1.00 51.21 H new ATOM 0 HD2 ARG A 61 -0.350 -2.932 -28.204 1.00 0.04 H new ATOM 0 HD3 ARG A 61 0.337 -1.850 -29.400 1.00 0.04 H new ATOM 0 HE ARG A 61 -1.958 -1.770 -30.471 1.00 25.54 H new ATOM 0 HH11 ARG A 61 -1.672 -2.673 -27.043 1.00 24.23 H new ATOM 0 HH12 ARG A 61 -3.318 -2.159 -26.663 1.00 24.23 H new ATOM 0 HH21 ARG A 61 -4.055 -1.121 -29.947 1.00 73.11 H new ATOM 0 HH22 ARG A 61 -4.655 -1.288 -28.294 1.00 73.11 H new ATOM 942 N HIS A 62 0.612 -7.311 -29.067 1.00 60.11 N ATOM 943 CA HIS A 62 1.806 -7.748 -28.319 1.00 41.11 C ATOM 944 C HIS A 62 2.551 -8.912 -29.020 1.00 73.01 C ATOM 945 O HIS A 62 3.776 -8.861 -29.201 1.00 14.14 O ATOM 946 CB HIS A 62 1.345 -8.149 -26.894 1.00 2.24 C ATOM 947 CG HIS A 62 2.385 -8.793 -26.026 1.00 61.30 C ATOM 948 ND1 HIS A 62 3.306 -8.097 -25.293 1.00 63.02 N ATOM 949 CD2 HIS A 62 2.619 -10.102 -25.775 1.00 3.24 C ATOM 950 CE1 HIS A 62 4.057 -8.976 -24.634 1.00 2.33 C ATOM 951 NE2 HIS A 62 3.686 -10.210 -24.890 1.00 73.03 N ATOM 0 H HIS A 62 -0.248 -7.403 -28.526 1.00 60.11 H new ATOM 0 HA HIS A 62 2.524 -6.929 -28.273 1.00 41.11 H new ATOM 0 HB2 HIS A 62 0.978 -7.256 -26.387 1.00 2.24 H new ATOM 0 HB3 HIS A 62 0.501 -8.833 -26.985 1.00 2.24 H new ATOM 0 HD2 HIS A 62 2.066 -10.929 -26.194 1.00 3.24 H new ATOM 0 HE1 HIS A 62 4.868 -8.709 -23.973 1.00 2.33 H new ATOM 0 HE2 HIS A 62 4.095 -11.067 -24.518 1.00 73.03 H new ATOM 959 N ILE A 63 1.789 -9.953 -29.397 1.00 53.21 N ATOM 960 CA ILE A 63 2.326 -11.169 -30.052 1.00 25.13 C ATOM 961 C ILE A 63 2.825 -10.866 -31.481 1.00 40.21 C ATOM 962 O ILE A 63 3.685 -11.582 -32.012 1.00 24.32 O ATOM 963 CB ILE A 63 1.280 -12.351 -30.037 1.00 51.40 C ATOM 964 CG1 ILE A 63 -0.036 -11.966 -30.786 1.00 54.11 C ATOM 965 CG2 ILE A 63 0.970 -12.769 -28.578 1.00 44.13 C ATOM 966 CD1 ILE A 63 -1.119 -13.044 -30.827 1.00 23.13 C ATOM 0 H ILE A 63 0.779 -9.980 -29.258 1.00 53.21 H new ATOM 0 HA ILE A 63 3.187 -11.498 -29.470 1.00 25.13 H new ATOM 0 HB ILE A 63 1.722 -13.196 -30.565 1.00 51.40 H new ATOM 0 HG12 ILE A 63 -0.453 -11.077 -30.314 1.00 54.11 H new ATOM 0 HG13 ILE A 63 0.218 -11.694 -31.810 1.00 54.11 H new ATOM 0 HG21 ILE A 63 0.247 -13.585 -28.579 1.00 44.13 H new ATOM 0 HG22 ILE A 63 1.888 -13.098 -28.091 1.00 44.13 H new ATOM 0 HG23 ILE A 63 0.556 -11.919 -28.036 1.00 44.13 H new ATOM 0 HD11 ILE A 63 -1.986 -12.668 -31.371 1.00 23.13 H new ATOM 0 HD12 ILE A 63 -0.731 -13.930 -31.330 1.00 23.13 H new ATOM 0 HD13 ILE A 63 -1.413 -13.303 -29.810 1.00 23.13 H new ATOM 978 N LYS A 64 2.253 -9.819 -32.102 1.00 64.13 N ATOM 979 CA LYS A 64 2.711 -9.308 -33.404 1.00 72.44 C ATOM 980 C LYS A 64 4.034 -8.524 -33.243 1.00 42.35 C ATOM 981 O LYS A 64 4.925 -8.629 -34.092 1.00 51.41 O ATOM 982 CB LYS A 64 1.630 -8.403 -34.045 1.00 72.34 C ATOM 983 CG LYS A 64 1.904 -8.026 -35.525 1.00 34.43 C ATOM 984 CD LYS A 64 1.180 -6.729 -35.964 1.00 32.31 C ATOM 985 CE LYS A 64 1.777 -5.474 -35.304 1.00 62.24 C ATOM 986 NZ LYS A 64 1.089 -4.240 -35.757 1.00 13.11 N ATOM 0 H LYS A 64 1.462 -9.305 -31.715 1.00 64.13 H new ATOM 0 HA LYS A 64 2.887 -10.159 -34.062 1.00 72.44 H new ATOM 0 HB2 LYS A 64 0.667 -8.910 -33.984 1.00 72.34 H new ATOM 0 HB3 LYS A 64 1.546 -7.488 -33.459 1.00 72.34 H new ATOM 0 HG2 LYS A 64 2.977 -7.903 -35.670 1.00 34.43 H new ATOM 0 HG3 LYS A 64 1.588 -8.847 -36.168 1.00 34.43 H new ATOM 0 HD2 LYS A 64 1.241 -6.631 -37.048 1.00 32.31 H new ATOM 0 HD3 LYS A 64 0.123 -6.802 -35.710 1.00 32.31 H new ATOM 0 HE2 LYS A 64 1.697 -5.559 -34.220 1.00 62.24 H new ATOM 0 HE3 LYS A 64 2.839 -5.407 -35.541 1.00 62.24 H new ATOM 0 HZ1 LYS A 64 1.517 -3.414 -35.293 1.00 13.11 H new ATOM 0 HZ2 LYS A 64 1.187 -4.147 -36.788 1.00 13.11 H new ATOM 0 HZ3 LYS A 64 0.081 -4.294 -35.508 1.00 13.11 H new ATOM 1000 N LEU A 65 4.141 -7.734 -32.146 1.00 63.23 N ATOM 1001 CA LEU A 65 5.353 -6.926 -31.841 1.00 2.30 C ATOM 1002 C LEU A 65 6.547 -7.836 -31.489 1.00 2.53 C ATOM 1003 O LEU A 65 7.707 -7.417 -31.610 1.00 75.41 O ATOM 1004 CB LEU A 65 5.095 -5.912 -30.686 1.00 74.24 C ATOM 1005 CG LEU A 65 4.017 -4.808 -30.946 1.00 31.32 C ATOM 1006 CD1 LEU A 65 3.933 -3.815 -29.763 1.00 45.44 C ATOM 1007 CD2 LEU A 65 4.260 -4.067 -32.282 1.00 31.53 C ATOM 0 H LEU A 65 3.399 -7.638 -31.453 1.00 63.23 H new ATOM 0 HA LEU A 65 5.595 -6.359 -32.740 1.00 2.30 H new ATOM 0 HB2 LEU A 65 4.799 -6.474 -29.800 1.00 74.24 H new ATOM 0 HB3 LEU A 65 6.038 -5.418 -30.450 1.00 74.24 H new ATOM 0 HG LEU A 65 3.055 -5.313 -31.028 1.00 31.32 H new ATOM 0 HD11 LEU A 65 3.175 -3.061 -29.974 1.00 45.44 H new ATOM 0 HD12 LEU A 65 3.665 -4.354 -28.854 1.00 45.44 H new ATOM 0 HD13 LEU A 65 4.899 -3.330 -29.626 1.00 45.44 H new ATOM 0 HD21 LEU A 65 3.489 -3.309 -32.423 1.00 31.53 H new ATOM 0 HD22 LEU A 65 5.239 -3.589 -32.260 1.00 31.53 H new ATOM 0 HD23 LEU A 65 4.223 -4.780 -33.106 1.00 31.53 H new ATOM 1019 N HIS A 66 6.239 -9.064 -31.007 1.00 22.51 N ATOM 1020 CA HIS A 66 7.232 -10.147 -30.851 1.00 43.11 C ATOM 1021 C HIS A 66 7.870 -10.498 -32.210 1.00 44.32 C ATOM 1022 O HIS A 66 9.086 -10.720 -32.285 1.00 3.50 O ATOM 1023 CB HIS A 66 6.590 -11.414 -30.216 1.00 71.43 C ATOM 1024 CG HIS A 66 6.270 -11.287 -28.749 1.00 72.22 C ATOM 1025 ND1 HIS A 66 7.056 -10.620 -27.848 1.00 4.34 N ATOM 1026 CD2 HIS A 66 5.245 -11.809 -28.027 1.00 35.21 C ATOM 1027 CE1 HIS A 66 6.508 -10.763 -26.636 1.00 75.53 C ATOM 1028 NE2 HIS A 66 5.406 -11.486 -26.682 1.00 32.34 N ATOM 0 H HIS A 66 5.297 -9.328 -30.717 1.00 22.51 H new ATOM 0 HA HIS A 66 8.011 -9.788 -30.179 1.00 43.11 H new ATOM 0 HB2 HIS A 66 5.673 -11.650 -30.755 1.00 71.43 H new ATOM 0 HB3 HIS A 66 7.267 -12.257 -30.355 1.00 71.43 H new ATOM 0 HD1 HIS A 66 7.910 -10.105 -28.063 1.00 4.34 H new ATOM 0 HD2 HIS A 66 4.429 -12.387 -28.434 1.00 35.21 H new ATOM 0 HE1 HIS A 66 6.918 -10.339 -25.731 1.00 75.53 H new ATOM 1036 N SER A 67 7.013 -10.549 -33.260 1.00 72.14 N ATOM 1037 CA SER A 67 7.409 -10.766 -34.672 1.00 3.45 C ATOM 1038 C SER A 67 7.867 -12.222 -34.937 1.00 45.00 C ATOM 1039 O SER A 67 8.534 -12.842 -34.100 1.00 75.44 O ATOM 1040 CB SER A 67 8.484 -9.726 -35.102 1.00 51.52 C ATOM 1041 OG SER A 67 8.852 -9.866 -36.465 1.00 21.25 O ATOM 0 H SER A 67 6.006 -10.438 -33.145 1.00 72.14 H new ATOM 0 HA SER A 67 6.526 -10.612 -35.292 1.00 3.45 H new ATOM 0 HB2 SER A 67 8.101 -8.720 -34.933 1.00 51.52 H new ATOM 0 HB3 SER A 67 9.368 -9.840 -34.475 1.00 51.52 H new ATOM 0 HG SER A 67 8.202 -9.398 -37.029 1.00 21.25 H new ATOM 1047 N GLY A 68 7.491 -12.774 -36.110 1.00 1.13 N ATOM 1048 CA GLY A 68 7.802 -14.173 -36.464 1.00 45.51 C ATOM 1049 C GLY A 68 6.613 -15.097 -36.246 1.00 21.03 C ATOM 1050 O GLY A 68 6.412 -16.050 -36.998 1.00 12.13 O ATOM 0 H GLY A 68 6.971 -12.270 -36.828 1.00 1.13 H new ATOM 0 HA2 GLY A 68 8.112 -14.222 -37.508 1.00 45.51 H new ATOM 0 HA3 GLY A 68 8.644 -14.519 -35.865 1.00 45.51 H new ATOM 1054 N GLU A 69 5.843 -14.816 -35.177 1.00 35.22 N ATOM 1055 CA GLU A 69 4.554 -15.484 -34.883 1.00 51.20 C ATOM 1056 C GLU A 69 3.552 -15.267 -36.021 1.00 42.04 C ATOM 1057 O GLU A 69 2.698 -16.111 -36.298 1.00 41.42 O ATOM 1058 CB GLU A 69 3.968 -14.956 -33.534 1.00 30.30 C ATOM 1059 CG GLU A 69 4.662 -15.484 -32.263 1.00 21.43 C ATOM 1060 CD GLU A 69 6.183 -15.251 -32.215 1.00 60.44 C ATOM 1061 OE1 GLU A 69 6.606 -14.078 -32.189 1.00 32.40 O ATOM 1062 OE2 GLU A 69 6.955 -16.235 -32.196 1.00 23.30 O ATOM 0 H GLU A 69 6.098 -14.112 -34.484 1.00 35.22 H new ATOM 0 HA GLU A 69 4.737 -16.555 -34.793 1.00 51.20 H new ATOM 0 HB2 GLU A 69 4.025 -13.867 -33.534 1.00 30.30 H new ATOM 0 HB3 GLU A 69 2.912 -15.220 -33.488 1.00 30.30 H new ATOM 0 HG2 GLU A 69 4.208 -15.008 -31.394 1.00 21.43 H new ATOM 0 HG3 GLU A 69 4.469 -16.553 -32.178 1.00 21.43 H new ATOM 1069 N LYS A 70 3.664 -14.095 -36.642 1.00 52.41 N ATOM 1070 CA LYS A 70 2.877 -13.706 -37.813 1.00 35.41 C ATOM 1071 C LYS A 70 3.771 -13.811 -39.053 1.00 12.10 C ATOM 1072 O LYS A 70 4.966 -13.504 -38.961 1.00 51.50 O ATOM 1073 CB LYS A 70 2.333 -12.247 -37.676 1.00 2.42 C ATOM 1074 CG LYS A 70 1.141 -12.078 -36.706 1.00 25.22 C ATOM 1075 CD LYS A 70 1.514 -12.401 -35.241 1.00 72.41 C ATOM 1076 CE LYS A 70 0.303 -12.463 -34.316 1.00 34.12 C ATOM 1077 NZ LYS A 70 -0.723 -13.410 -34.807 1.00 74.50 N ATOM 0 H LYS A 70 4.318 -13.373 -36.340 1.00 52.41 H new ATOM 0 HA LYS A 70 2.018 -14.371 -37.900 1.00 35.41 H new ATOM 0 HB2 LYS A 70 3.146 -11.603 -37.342 1.00 2.42 H new ATOM 0 HB3 LYS A 70 2.031 -11.895 -38.662 1.00 2.42 H new ATOM 0 HG2 LYS A 70 0.772 -11.054 -36.765 1.00 25.22 H new ATOM 0 HG3 LYS A 70 0.326 -12.730 -37.021 1.00 25.22 H new ATOM 0 HD2 LYS A 70 2.039 -13.356 -35.208 1.00 72.41 H new ATOM 0 HD3 LYS A 70 2.207 -11.644 -34.873 1.00 72.41 H new ATOM 0 HE2 LYS A 70 0.624 -12.762 -33.318 1.00 34.12 H new ATOM 0 HE3 LYS A 70 -0.135 -11.469 -34.225 1.00 34.12 H new ATOM 0 HZ1 LYS A 70 -1.359 -13.668 -34.026 1.00 74.50 H new ATOM 0 HZ2 LYS A 70 -1.273 -12.962 -35.568 1.00 74.50 H new ATOM 0 HZ3 LYS A 70 -0.259 -14.266 -35.173 1.00 74.50 H new ATOM 1091 N PRO A 71 3.217 -14.249 -40.228 1.00 75.54 N ATOM 1092 CA PRO A 71 3.944 -14.191 -41.520 1.00 1.03 C ATOM 1093 C PRO A 71 4.125 -12.727 -41.990 1.00 14.11 C ATOM 1094 O PRO A 71 3.410 -11.832 -41.515 1.00 65.13 O ATOM 1095 CB PRO A 71 3.035 -15.003 -42.470 1.00 70.02 C ATOM 1096 CG PRO A 71 1.662 -14.864 -41.889 1.00 31.23 C ATOM 1097 CD PRO A 71 1.849 -14.828 -40.391 1.00 1.41 C ATOM 0 HA PRO A 71 4.956 -14.592 -41.470 1.00 1.03 H new ATOM 0 HB2 PRO A 71 3.076 -14.614 -43.487 1.00 70.02 H new ATOM 0 HB3 PRO A 71 3.342 -16.048 -42.516 1.00 70.02 H new ATOM 0 HG2 PRO A 71 1.178 -13.954 -42.244 1.00 31.23 H new ATOM 0 HG3 PRO A 71 1.027 -15.699 -42.184 1.00 31.23 H new ATOM 0 HD2 PRO A 71 1.091 -14.212 -39.906 1.00 1.41 H new ATOM 0 HD3 PRO A 71 1.779 -15.824 -39.953 1.00 1.41 H new ATOM 1105 N PHE A 72 5.070 -12.528 -42.932 1.00 51.51 N ATOM 1106 CA PHE A 72 5.541 -11.203 -43.364 1.00 32.43 C ATOM 1107 C PHE A 72 6.213 -10.478 -42.175 1.00 71.31 C ATOM 1108 O PHE A 72 5.623 -9.601 -41.550 1.00 73.23 O ATOM 1109 CB PHE A 72 4.400 -10.364 -44.041 1.00 60.15 C ATOM 1110 CG PHE A 72 4.811 -8.956 -44.499 1.00 71.23 C ATOM 1111 CD1 PHE A 72 5.894 -8.773 -45.359 1.00 10.43 C ATOM 1112 CD2 PHE A 72 4.120 -7.823 -44.065 1.00 33.24 C ATOM 1113 CE1 PHE A 72 6.268 -7.505 -45.765 1.00 64.14 C ATOM 1114 CE2 PHE A 72 4.492 -6.556 -44.476 1.00 15.32 C ATOM 1115 CZ PHE A 72 5.572 -6.396 -45.323 1.00 3.44 C ATOM 0 H PHE A 72 5.532 -13.296 -43.419 1.00 51.51 H new ATOM 0 HA PHE A 72 6.295 -11.329 -44.141 1.00 32.43 H new ATOM 0 HB2 PHE A 72 4.028 -10.916 -44.904 1.00 60.15 H new ATOM 0 HB3 PHE A 72 3.571 -10.273 -43.339 1.00 60.15 H new ATOM 0 HD1 PHE A 72 6.447 -9.631 -45.712 1.00 10.43 H new ATOM 0 HD2 PHE A 72 3.280 -7.938 -43.396 1.00 33.24 H new ATOM 0 HE1 PHE A 72 7.109 -7.381 -46.431 1.00 64.14 H new ATOM 0 HE2 PHE A 72 3.939 -5.693 -44.135 1.00 15.32 H new ATOM 0 HZ PHE A 72 5.871 -5.407 -45.639 1.00 3.44 H new ATOM 1125 N LYS A 73 7.420 -10.972 -41.835 1.00 53.01 N ATOM 1126 CA LYS A 73 8.336 -10.390 -40.825 1.00 65.33 C ATOM 1127 C LYS A 73 7.645 -10.234 -39.428 1.00 65.11 C ATOM 1128 O LYS A 73 7.383 -11.264 -38.770 1.00 15.42 O ATOM 1129 CB LYS A 73 8.947 -9.039 -41.336 1.00 31.10 C ATOM 1130 CG LYS A 73 9.509 -9.055 -42.781 1.00 3.11 C ATOM 1131 CD LYS A 73 10.581 -10.143 -43.014 1.00 51.21 C ATOM 1132 CE LYS A 73 11.122 -10.129 -44.465 1.00 50.31 C ATOM 1133 NZ LYS A 73 12.034 -11.271 -44.748 1.00 32.23 N ATOM 1134 OXT LYS A 73 7.372 -9.088 -38.989 1.00 38.33 O ATOM 0 H LYS A 73 7.799 -11.814 -42.268 1.00 53.01 H new ATOM 0 HA LYS A 73 9.160 -11.090 -40.683 1.00 65.33 H new ATOM 0 HB2 LYS A 73 8.179 -8.268 -41.274 1.00 31.10 H new ATOM 0 HB3 LYS A 73 9.748 -8.745 -40.658 1.00 31.10 H new ATOM 0 HG2 LYS A 73 8.687 -9.210 -43.480 1.00 3.11 H new ATOM 0 HG3 LYS A 73 9.939 -8.079 -43.006 1.00 3.11 H new ATOM 0 HD2 LYS A 73 11.407 -9.992 -42.319 1.00 51.21 H new ATOM 0 HD3 LYS A 73 10.156 -11.123 -42.796 1.00 51.21 H new ATOM 0 HE2 LYS A 73 10.284 -10.157 -45.161 1.00 50.31 H new ATOM 0 HE3 LYS A 73 11.652 -9.193 -44.642 1.00 50.31 H new ATOM 0 HZ1 LYS A 73 12.367 -11.214 -45.732 1.00 32.23 H new ATOM 0 HZ2 LYS A 73 12.849 -11.232 -44.104 1.00 32.23 H new ATOM 0 HZ3 LYS A 73 11.524 -12.166 -44.607 1.00 32.23 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.952 -13.001 -25.663 1.00 72.12 ZN