USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 GLN : amide:sc= 0.0496 X(o=0.12,f=-0.11) USER MOD Set 1.2: A 15 ASN : amide:sc= 0.107 X(o=0.12,f=-0.33) USER MOD Set 1.3: A 65 MET CE :methyl -158:sc= -0.0321 (180deg=-0.278) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -173:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.651 K(o=1.9,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0112 (180deg=-0.00251) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00884 X(o=-0.0088,f=-0.084) USER MOD Single : A 13 SER OG : rot 79:sc= 0.0515 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 21 THR OG1 : rot 72:sc= 1.29 USER MOD Single : A 24 MET CE :methyl 179:sc= 0 (180deg=-0.00189) USER MOD Single : A 27 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.0044) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0.168 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -74:sc= 1.28 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00683 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.21) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -79:sc= 0.115 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -99:sc= 1.26 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00162 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 11:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 55:sc= 1.26 USER MOD Single : A 75 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.015 3.079 26.970 1.00 0.00 N ATOM 2 CA MET A 1 15.226 3.520 26.249 1.00 0.00 C ATOM 3 C MET A 1 14.841 4.195 24.943 1.00 0.00 C ATOM 4 O MET A 1 13.945 3.722 24.244 1.00 0.00 O ATOM 5 CB MET A 1 16.201 2.369 25.963 1.00 0.00 C ATOM 6 CG MET A 1 16.795 1.740 27.226 1.00 0.00 C ATOM 7 SD MET A 1 18.034 0.467 26.857 1.00 0.00 S ATOM 8 CE MET A 1 18.406 -0.096 28.539 1.00 0.00 C ATOM 0 H1 MET A 1 13.938 3.597 27.869 1.00 0.00 H new ATOM 0 H2 MET A 1 13.175 3.270 26.387 1.00 0.00 H new ATOM 0 H3 MET A 1 14.078 2.059 27.162 1.00 0.00 H new ATOM 0 HA MET A 1 15.739 4.227 26.901 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.683 1.598 25.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.012 2.739 25.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.252 2.520 27.835 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.994 1.300 27.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.156 -0.886 28.501 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.788 0.739 29.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.498 -0.481 29.003 1.00 0.00 H new ATOM 20 N SER A 2 15.560 5.252 24.553 1.00 0.00 N ATOM 21 CA SER A 2 15.332 6.007 23.305 1.00 0.00 C ATOM 22 C SER A 2 15.632 5.219 22.016 1.00 0.00 C ATOM 23 O SER A 2 15.482 5.748 20.916 1.00 0.00 O ATOM 24 CB SER A 2 16.076 7.352 23.346 1.00 0.00 C ATOM 25 OG SER A 2 17.479 7.176 23.233 1.00 0.00 O ATOM 0 H SER A 2 16.335 5.619 25.105 1.00 0.00 H new ATOM 0 HA SER A 2 14.260 6.198 23.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.722 7.989 22.535 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.847 7.867 24.279 1.00 0.00 H new ATOM 0 HG SER A 2 17.922 8.050 23.261 1.00 0.00 H new ATOM 31 N SER A 3 15.984 3.933 22.118 1.00 0.00 N ATOM 32 CA SER A 3 16.097 2.976 21.008 1.00 0.00 C ATOM 33 C SER A 3 14.827 2.814 20.167 1.00 0.00 C ATOM 34 O SER A 3 14.888 2.411 19.002 1.00 0.00 O ATOM 35 CB SER A 3 16.446 1.595 21.555 1.00 0.00 C ATOM 36 OG SER A 3 15.592 1.241 22.634 1.00 0.00 O ATOM 0 H SER A 3 16.209 3.509 23.018 1.00 0.00 H new ATOM 0 HA SER A 3 16.872 3.388 20.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.360 0.854 20.761 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.483 1.585 21.890 1.00 0.00 H new ATOM 0 HG SER A 3 15.835 0.351 22.966 1.00 0.00 H new ATOM 42 N LYS A 4 13.659 3.151 20.724 1.00 0.00 N ATOM 43 CA LYS A 4 12.386 3.244 19.987 1.00 0.00 C ATOM 44 C LYS A 4 12.420 4.243 18.818 1.00 0.00 C ATOM 45 O LYS A 4 11.569 4.181 17.935 1.00 0.00 O ATOM 46 CB LYS A 4 11.265 3.564 20.986 1.00 0.00 C ATOM 47 CG LYS A 4 11.338 5.010 21.463 1.00 0.00 C ATOM 48 CD LYS A 4 10.469 5.255 22.692 1.00 0.00 C ATOM 49 CE LYS A 4 11.041 4.646 23.982 1.00 0.00 C ATOM 50 NZ LYS A 4 10.226 4.971 25.177 1.00 0.00 N ATOM 0 H LYS A 4 13.566 3.371 21.716 1.00 0.00 H new ATOM 0 HA LYS A 4 12.197 2.281 19.513 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.297 3.382 20.519 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.337 2.893 21.842 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.373 5.262 21.695 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.021 5.673 20.658 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.346 6.329 22.831 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.477 4.841 22.513 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.102 3.563 23.872 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.058 5.009 24.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.655 4.537 26.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.188 6.003 25.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.262 4.602 25.051 1.00 0.00 H new ATOM 64 N GLU A 5 13.400 5.145 18.798 1.00 0.00 N ATOM 65 CA GLU A 5 13.643 6.125 17.727 1.00 0.00 C ATOM 66 C GLU A 5 14.556 5.603 16.592 1.00 0.00 C ATOM 67 O GLU A 5 14.675 6.256 15.550 1.00 0.00 O ATOM 68 CB GLU A 5 14.288 7.375 18.346 1.00 0.00 C ATOM 69 CG GLU A 5 13.407 8.146 19.343 1.00 0.00 C ATOM 70 CD GLU A 5 12.450 9.128 18.655 1.00 0.00 C ATOM 71 OE1 GLU A 5 12.930 10.084 18.001 1.00 0.00 O ATOM 72 OE2 GLU A 5 11.211 9.008 18.816 1.00 0.00 O ATOM 0 H GLU A 5 14.078 5.221 19.557 1.00 0.00 H new ATOM 0 HA GLU A 5 12.676 6.342 17.273 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.206 7.076 18.853 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.574 8.052 17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.829 7.436 19.934 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.045 8.693 20.037 1.00 0.00 H new ATOM 79 N THR A 6 15.215 4.448 16.765 1.00 0.00 N ATOM 80 CA THR A 6 16.319 3.956 15.908 1.00 0.00 C ATOM 81 C THR A 6 15.817 3.117 14.719 1.00 0.00 C ATOM 82 O THR A 6 16.501 2.215 14.235 1.00 0.00 O ATOM 83 CB THR A 6 17.397 3.202 16.721 1.00 0.00 C ATOM 84 OG1 THR A 6 17.570 3.734 18.018 1.00 0.00 O ATOM 85 CG2 THR A 6 18.788 3.261 16.088 1.00 0.00 C ATOM 0 H THR A 6 14.993 3.807 17.526 1.00 0.00 H new ATOM 0 HA THR A 6 16.793 4.843 15.488 1.00 0.00 H new ATOM 0 HB THR A 6 17.018 2.180 16.745 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.259 3.223 18.492 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.495 2.712 16.710 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.755 2.813 15.095 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.107 4.300 16.007 1.00 0.00 H new ATOM 93 N ILE A 7 14.578 3.358 14.282 1.00 0.00 N ATOM 94 CA ILE A 7 13.913 2.669 13.183 1.00 0.00 C ATOM 95 C ILE A 7 14.527 3.119 11.831 1.00 0.00 C ATOM 96 O ILE A 7 14.461 4.305 11.497 1.00 0.00 O ATOM 97 CB ILE A 7 12.386 2.896 13.375 1.00 0.00 C ATOM 98 CG1 ILE A 7 11.581 1.634 13.055 1.00 0.00 C ATOM 99 CG2 ILE A 7 11.790 4.146 12.710 1.00 0.00 C ATOM 100 CD1 ILE A 7 11.643 1.199 11.593 1.00 0.00 C ATOM 0 H ILE A 7 13.988 4.073 14.707 1.00 0.00 H new ATOM 0 HA ILE A 7 14.067 1.590 13.176 1.00 0.00 H new ATOM 0 HB ILE A 7 12.292 3.114 14.439 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.944 0.818 13.680 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.539 1.804 13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.721 4.193 12.916 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.276 5.037 13.109 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.950 4.097 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.045 0.298 11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.251 1.995 10.960 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.678 0.993 11.318 1.00 0.00 H new ATOM 112 N PRO A 8 15.173 2.230 11.050 1.00 0.00 N ATOM 113 CA PRO A 8 15.898 2.629 9.837 1.00 0.00 C ATOM 114 C PRO A 8 14.985 3.172 8.737 1.00 0.00 C ATOM 115 O PRO A 8 13.926 2.593 8.476 1.00 0.00 O ATOM 116 CB PRO A 8 16.646 1.384 9.363 1.00 0.00 C ATOM 117 CG PRO A 8 16.800 0.575 10.644 1.00 0.00 C ATOM 118 CD PRO A 8 15.500 0.850 11.374 1.00 0.00 C ATOM 0 HA PRO A 8 16.575 3.452 10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.084 0.838 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.612 1.635 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.931 -0.487 10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.665 0.897 11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.713 0.170 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.614 0.713 12.449 1.00 0.00 H new ATOM 126 N MET A 9 15.412 4.208 8.003 1.00 0.00 N ATOM 127 CA MET A 9 14.659 4.650 6.820 1.00 0.00 C ATOM 128 C MET A 9 14.548 3.539 5.761 1.00 0.00 C ATOM 129 O MET A 9 13.508 3.445 5.108 1.00 0.00 O ATOM 130 CB MET A 9 15.181 5.980 6.243 1.00 0.00 C ATOM 131 CG MET A 9 16.482 5.900 5.432 1.00 0.00 C ATOM 132 SD MET A 9 16.809 7.379 4.436 1.00 0.00 S ATOM 133 CE MET A 9 18.090 6.729 3.332 1.00 0.00 C ATOM 0 H MET A 9 16.256 4.746 8.200 1.00 0.00 H new ATOM 0 HA MET A 9 13.643 4.858 7.157 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.405 6.406 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.333 6.676 7.068 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.317 5.740 6.115 1.00 0.00 H new ATOM 0 HG3 MET A 9 16.437 5.032 4.774 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.410 7.513 2.645 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.943 6.393 3.922 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.689 5.890 2.763 1.00 0.00 H new ATOM 143 N HIS A 10 15.539 2.639 5.655 1.00 0.00 N ATOM 144 CA HIS A 10 15.470 1.458 4.783 1.00 0.00 C ATOM 145 C HIS A 10 14.410 0.438 5.230 1.00 0.00 C ATOM 146 O HIS A 10 13.750 -0.169 4.385 1.00 0.00 O ATOM 147 CB HIS A 10 16.862 0.816 4.608 1.00 0.00 C ATOM 148 CG HIS A 10 17.513 0.155 5.809 1.00 0.00 C ATOM 149 ND1 HIS A 10 17.138 -1.023 6.423 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.728 0.497 6.343 1.00 0.00 C ATOM 151 CE1 HIS A 10 18.082 -1.355 7.321 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.080 -0.454 7.311 1.00 0.00 N ATOM 0 H HIS A 10 16.414 2.712 6.175 1.00 0.00 H new ATOM 0 HA HIS A 10 15.140 1.808 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.785 0.067 3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.540 1.589 4.248 1.00 0.00 H new ATOM 0 HD2 HIS A 10 19.317 1.358 6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 10 18.044 -2.224 7.961 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.920 -0.461 7.889 1.00 0.00 H new ATOM 160 N GLN A 11 14.173 0.302 6.540 1.00 0.00 N ATOM 161 CA GLN A 11 13.097 -0.535 7.082 1.00 0.00 C ATOM 162 C GLN A 11 11.724 0.073 6.770 1.00 0.00 C ATOM 163 O GLN A 11 10.830 -0.642 6.321 1.00 0.00 O ATOM 164 CB GLN A 11 13.289 -0.716 8.596 1.00 0.00 C ATOM 165 CG GLN A 11 12.274 -1.688 9.219 1.00 0.00 C ATOM 166 CD GLN A 11 12.458 -3.120 8.732 1.00 0.00 C ATOM 167 OE1 GLN A 11 13.553 -3.669 8.785 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.429 -3.768 8.230 1.00 0.00 N ATOM 0 H GLN A 11 14.725 0.772 7.257 1.00 0.00 H new ATOM 0 HA GLN A 11 13.140 -1.515 6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.298 -1.081 8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.203 0.254 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.371 -1.662 10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.264 -1.354 8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.516 -3.317 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.545 -4.722 7.888 1.00 0.00 H new ATOM 177 N ARG A 12 11.566 1.398 6.922 1.00 0.00 N ATOM 178 CA ARG A 12 10.327 2.089 6.520 1.00 0.00 C ATOM 179 C ARG A 12 10.060 1.894 5.026 1.00 0.00 C ATOM 180 O ARG A 12 8.995 1.413 4.661 1.00 0.00 O ATOM 181 CB ARG A 12 10.343 3.579 6.904 1.00 0.00 C ATOM 182 CG ARG A 12 10.634 3.824 8.396 1.00 0.00 C ATOM 183 CD ARG A 12 10.178 5.180 8.965 1.00 0.00 C ATOM 184 NE ARG A 12 10.001 6.243 7.960 1.00 0.00 N ATOM 185 CZ ARG A 12 10.814 7.232 7.643 1.00 0.00 C ATOM 186 NH1 ARG A 12 11.995 7.394 8.165 1.00 0.00 N ATOM 187 NH2 ARG A 12 10.427 8.098 6.760 1.00 0.00 N ATOM 0 H ARG A 12 12.278 2.012 7.319 1.00 0.00 H new ATOM 0 HA ARG A 12 9.504 1.636 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.096 4.092 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.379 4.022 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.155 3.032 8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.708 3.730 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.235 5.038 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.909 5.514 9.702 1.00 0.00 H new ATOM 0 HE ARG A 12 9.127 6.209 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.339 6.734 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.576 8.181 7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.509 8.007 6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.040 8.871 6.500 1.00 0.00 H new ATOM 201 N SER A 13 11.062 2.124 4.175 1.00 0.00 N ATOM 202 CA SER A 13 10.983 1.877 2.724 1.00 0.00 C ATOM 203 C SER A 13 10.646 0.422 2.362 1.00 0.00 C ATOM 204 O SER A 13 9.942 0.195 1.382 1.00 0.00 O ATOM 205 CB SER A 13 12.313 2.233 2.052 1.00 0.00 C ATOM 206 OG SER A 13 12.547 3.629 2.078 1.00 0.00 O ATOM 0 H SER A 13 11.965 2.492 4.473 1.00 0.00 H new ATOM 0 HA SER A 13 10.171 2.509 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.128 1.716 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.306 1.883 1.020 1.00 0.00 H new ATOM 0 HG SER A 13 12.877 3.889 2.963 1.00 0.00 H new ATOM 212 N GLN A 14 11.100 -0.561 3.148 1.00 0.00 N ATOM 213 CA GLN A 14 10.801 -1.986 2.956 1.00 0.00 C ATOM 214 C GLN A 14 9.352 -2.342 3.338 1.00 0.00 C ATOM 215 O GLN A 14 8.695 -3.122 2.644 1.00 0.00 O ATOM 216 CB GLN A 14 11.815 -2.790 3.777 1.00 0.00 C ATOM 217 CG GLN A 14 11.697 -4.305 3.590 1.00 0.00 C ATOM 218 CD GLN A 14 12.717 -5.068 4.423 1.00 0.00 C ATOM 219 OE1 GLN A 14 13.273 -4.592 5.407 1.00 0.00 O ATOM 220 NE2 GLN A 14 13.002 -6.296 4.081 1.00 0.00 N ATOM 0 H GLN A 14 11.699 -0.384 3.954 1.00 0.00 H new ATOM 0 HA GLN A 14 10.888 -2.234 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.822 -2.476 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.684 -2.552 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.692 -4.626 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.833 -4.551 2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.554 -6.716 3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.673 -6.835 4.628 1.00 0.00 H new ATOM 229 N ASN A 15 8.833 -1.729 4.404 1.00 0.00 N ATOM 230 CA ASN A 15 7.431 -1.848 4.809 1.00 0.00 C ATOM 231 C ASN A 15 6.501 -1.188 3.777 1.00 0.00 C ATOM 232 O ASN A 15 5.502 -1.777 3.362 1.00 0.00 O ATOM 233 CB ASN A 15 7.253 -1.204 6.191 1.00 0.00 C ATOM 234 CG ASN A 15 8.052 -1.850 7.308 1.00 0.00 C ATOM 235 OD1 ASN A 15 8.537 -2.974 7.236 1.00 0.00 O ATOM 236 ND2 ASN A 15 8.181 -1.132 8.396 1.00 0.00 N ATOM 0 H ASN A 15 9.382 -1.128 5.018 1.00 0.00 H new ATOM 0 HA ASN A 15 7.162 -2.903 4.863 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.534 -0.153 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.196 -1.235 6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.690 -1.506 9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.773 -0.198 8.442 1.00 0.00 H new ATOM 243 N VAL A 16 6.877 0.007 3.306 1.00 0.00 N ATOM 244 CA VAL A 16 6.231 0.703 2.183 1.00 0.00 C ATOM 245 C VAL A 16 6.255 -0.169 0.932 1.00 0.00 C ATOM 246 O VAL A 16 5.246 -0.232 0.248 1.00 0.00 O ATOM 247 CB VAL A 16 6.932 2.042 1.893 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.398 2.761 0.649 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.774 3.032 3.043 1.00 0.00 C ATOM 0 H VAL A 16 7.657 0.530 3.703 1.00 0.00 H new ATOM 0 HA VAL A 16 5.196 0.902 2.462 1.00 0.00 H new ATOM 0 HB VAL A 16 7.973 1.757 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.940 3.696 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.537 2.126 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.337 2.972 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.284 3.963 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.715 3.232 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.209 2.610 3.949 1.00 0.00 H new ATOM 259 N ALA A 17 7.347 -0.883 0.643 1.00 0.00 N ATOM 260 CA ALA A 17 7.427 -1.748 -0.531 1.00 0.00 C ATOM 261 C ALA A 17 6.442 -2.936 -0.478 1.00 0.00 C ATOM 262 O ALA A 17 5.850 -3.269 -1.504 1.00 0.00 O ATOM 263 CB ALA A 17 8.874 -2.217 -0.708 1.00 0.00 C ATOM 0 H ALA A 17 8.193 -0.876 1.213 1.00 0.00 H new ATOM 0 HA ALA A 17 7.123 -1.166 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.942 -2.864 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.523 -1.352 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.188 -2.770 0.177 1.00 0.00 H new ATOM 269 N GLU A 18 6.198 -3.538 0.696 1.00 0.00 N ATOM 270 CA GLU A 18 5.126 -4.540 0.858 1.00 0.00 C ATOM 271 C GLU A 18 3.738 -3.923 0.625 1.00 0.00 C ATOM 272 O GLU A 18 2.950 -4.453 -0.158 1.00 0.00 O ATOM 273 CB GLU A 18 5.183 -5.220 2.234 1.00 0.00 C ATOM 274 CG GLU A 18 6.190 -6.378 2.236 1.00 0.00 C ATOM 275 CD GLU A 18 5.524 -7.751 2.427 1.00 0.00 C ATOM 276 OE1 GLU A 18 5.060 -8.069 3.548 1.00 0.00 O ATOM 277 OE2 GLU A 18 5.461 -8.538 1.449 1.00 0.00 O ATOM 0 H GLU A 18 6.726 -3.351 1.548 1.00 0.00 H new ATOM 0 HA GLU A 18 5.294 -5.303 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.463 -4.489 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.194 -5.593 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.741 -6.375 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.917 -6.219 3.032 1.00 0.00 H new ATOM 284 N LEU A 19 3.463 -2.768 1.243 1.00 0.00 N ATOM 285 CA LEU A 19 2.217 -2.016 1.062 1.00 0.00 C ATOM 286 C LEU A 19 1.980 -1.649 -0.416 1.00 0.00 C ATOM 287 O LEU A 19 0.916 -1.940 -0.956 1.00 0.00 O ATOM 288 CB LEU A 19 2.268 -0.784 1.971 1.00 0.00 C ATOM 289 CG LEU A 19 0.936 -0.009 1.964 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.531 0.312 3.391 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.058 1.306 1.209 1.00 0.00 C ATOM 0 H LEU A 19 4.111 -2.323 1.893 1.00 0.00 H new ATOM 0 HA LEU A 19 1.365 -2.635 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.502 -1.094 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.073 -0.125 1.645 1.00 0.00 H new ATOM 0 HG LEU A 19 0.193 -0.637 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.411 0.860 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.409 -0.615 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.303 0.921 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.100 1.825 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.816 1.929 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.346 1.107 0.177 1.00 0.00 H new ATOM 303 N LEU A 20 2.980 -1.073 -1.089 1.00 0.00 N ATOM 304 CA LEU A 20 2.941 -0.673 -2.499 1.00 0.00 C ATOM 305 C LEU A 20 2.693 -1.895 -3.397 1.00 0.00 C ATOM 306 O LEU A 20 1.841 -1.848 -4.275 1.00 0.00 O ATOM 307 CB LEU A 20 4.266 0.035 -2.858 1.00 0.00 C ATOM 308 CG LEU A 20 4.314 1.001 -4.062 1.00 0.00 C ATOM 309 CD1 LEU A 20 2.969 1.309 -4.702 1.00 0.00 C ATOM 310 CD2 LEU A 20 4.899 2.333 -3.607 1.00 0.00 C ATOM 0 H LEU A 20 3.876 -0.864 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 20 2.117 0.022 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.585 0.594 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.013 -0.740 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 20 4.919 0.488 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.112 1.995 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.519 0.385 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.311 1.768 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.937 3.021 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.273 2.756 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.907 2.175 -3.222 1.00 0.00 H new ATOM 322 N THR A 21 3.366 -3.018 -3.139 1.00 0.00 N ATOM 323 CA THR A 21 3.195 -4.278 -3.889 1.00 0.00 C ATOM 324 C THR A 21 1.790 -4.874 -3.720 1.00 0.00 C ATOM 325 O THR A 21 1.253 -5.462 -4.664 1.00 0.00 O ATOM 326 CB THR A 21 4.265 -5.291 -3.440 1.00 0.00 C ATOM 327 OG1 THR A 21 5.549 -4.761 -3.676 1.00 0.00 O ATOM 328 CG2 THR A 21 4.200 -6.623 -4.177 1.00 0.00 C ATOM 0 H THR A 21 4.058 -3.086 -2.392 1.00 0.00 H new ATOM 0 HA THR A 21 3.317 -4.054 -4.949 1.00 0.00 H new ATOM 0 HB THR A 21 4.070 -5.470 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.730 -4.043 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.984 -7.283 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.227 -7.085 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.342 -6.455 -5.245 1.00 0.00 H new ATOM 336 N VAL A 22 1.161 -4.699 -2.552 1.00 0.00 N ATOM 337 CA VAL A 22 -0.241 -5.073 -2.310 1.00 0.00 C ATOM 338 C VAL A 22 -1.211 -4.091 -2.978 1.00 0.00 C ATOM 339 O VAL A 22 -2.167 -4.543 -3.603 1.00 0.00 O ATOM 340 CB VAL A 22 -0.490 -5.234 -0.794 1.00 0.00 C ATOM 341 CG1 VAL A 22 -1.971 -5.362 -0.427 1.00 0.00 C ATOM 342 CG2 VAL A 22 0.211 -6.495 -0.266 1.00 0.00 C ATOM 0 H VAL A 22 1.616 -4.288 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.436 -6.039 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.093 -4.325 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.070 -5.472 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.505 -4.469 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.394 -6.237 -0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.026 -6.594 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.178 -7.372 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.284 -6.416 -0.442 1.00 0.00 H new ATOM 352 N LEU A 23 -0.960 -2.775 -2.942 1.00 0.00 N ATOM 353 CA LEU A 23 -1.776 -1.776 -3.655 1.00 0.00 C ATOM 354 C LEU A 23 -1.686 -1.930 -5.186 1.00 0.00 C ATOM 355 O LEU A 23 -2.690 -1.818 -5.887 1.00 0.00 O ATOM 356 CB LEU A 23 -1.370 -0.344 -3.244 1.00 0.00 C ATOM 357 CG LEU A 23 -1.641 0.129 -1.810 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.441 1.643 -1.710 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.059 -0.221 -1.425 1.00 0.00 C ATOM 0 H LEU A 23 -0.185 -2.370 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.812 -1.953 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.300 -0.241 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.876 0.347 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.945 -0.366 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.636 1.969 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.415 1.893 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.129 2.147 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.253 0.115 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.753 0.270 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.196 -1.301 -1.484 1.00 0.00 H new ATOM 371 N MET A 24 -0.505 -2.274 -5.704 1.00 0.00 N ATOM 372 CA MET A 24 -0.283 -2.692 -7.092 1.00 0.00 C ATOM 373 C MET A 24 -1.085 -3.954 -7.437 1.00 0.00 C ATOM 374 O MET A 24 -1.561 -4.092 -8.562 1.00 0.00 O ATOM 375 CB MET A 24 1.225 -2.923 -7.309 1.00 0.00 C ATOM 376 CG MET A 24 1.985 -1.604 -7.492 1.00 0.00 C ATOM 377 SD MET A 24 1.618 -0.702 -9.025 1.00 0.00 S ATOM 378 CE MET A 24 2.634 0.774 -8.749 1.00 0.00 C ATOM 0 H MET A 24 0.352 -2.269 -5.151 1.00 0.00 H new ATOM 0 HA MET A 24 -0.633 -1.903 -7.758 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.636 -3.463 -6.456 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.373 -3.552 -8.187 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.761 -0.955 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.054 -1.813 -7.460 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.546 1.441 -9.606 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.291 1.289 -7.852 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.676 0.480 -8.623 1.00 0.00 H new ATOM 388 N ASP A 25 -1.316 -4.849 -6.475 1.00 0.00 N ATOM 389 CA ASP A 25 -2.241 -5.971 -6.645 1.00 0.00 C ATOM 390 C ASP A 25 -3.712 -5.518 -6.712 1.00 0.00 C ATOM 391 O ASP A 25 -4.453 -6.059 -7.526 1.00 0.00 O ATOM 392 CB ASP A 25 -1.990 -7.047 -5.572 1.00 0.00 C ATOM 393 CG ASP A 25 -1.493 -8.371 -6.163 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.616 -8.353 -7.057 1.00 0.00 O ATOM 395 OD2 ASP A 25 -1.918 -9.455 -5.705 1.00 0.00 O ATOM 0 H ASP A 25 -0.869 -4.817 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.039 -6.427 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.256 -6.676 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.913 -7.225 -5.019 1.00 0.00 H new ATOM 400 N ILE A 26 -4.134 -4.478 -5.976 1.00 0.00 N ATOM 401 CA ILE A 26 -5.491 -3.903 -6.107 1.00 0.00 C ATOM 402 C ILE A 26 -5.663 -3.316 -7.511 1.00 0.00 C ATOM 403 O ILE A 26 -6.676 -3.549 -8.166 1.00 0.00 O ATOM 404 CB ILE A 26 -5.787 -2.803 -5.052 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.352 -3.117 -3.617 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.266 -2.381 -5.095 1.00 0.00 C ATOM 407 CD1 ILE A 26 -5.979 -4.353 -3.011 1.00 0.00 C ATOM 0 H ILE A 26 -3.554 -4.012 -5.278 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.199 -4.714 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.152 -1.969 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.268 -3.233 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.591 -2.261 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.446 -1.610 -4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.504 -1.989 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.897 -3.245 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.608 -4.489 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.063 -4.238 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.719 -5.225 -3.612 1.00 0.00 H new ATOM 419 N ASN A 27 -4.635 -2.618 -7.998 1.00 0.00 N ATOM 420 CA ASN A 27 -4.607 -2.031 -9.341 1.00 0.00 C ATOM 421 C ASN A 27 -4.716 -3.113 -10.439 1.00 0.00 C ATOM 422 O ASN A 27 -5.535 -2.980 -11.351 1.00 0.00 O ATOM 423 CB ASN A 27 -3.334 -1.173 -9.438 1.00 0.00 C ATOM 424 CG ASN A 27 -3.185 -0.440 -10.758 1.00 0.00 C ATOM 425 OD1 ASN A 27 -2.431 -0.846 -11.627 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.870 0.665 -10.938 1.00 0.00 N ATOM 0 H ASN A 27 -3.785 -2.441 -7.463 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.475 -1.393 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.336 -0.444 -8.627 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.464 -1.813 -9.289 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.773 1.189 -11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.499 1.000 -10.208 1.00 0.00 H new ATOM 433 N LYS A 28 -3.986 -4.232 -10.307 1.00 0.00 N ATOM 434 CA LYS A 28 -4.075 -5.401 -11.197 1.00 0.00 C ATOM 435 C LYS A 28 -5.401 -6.166 -11.090 1.00 0.00 C ATOM 436 O LYS A 28 -5.834 -6.754 -12.084 1.00 0.00 O ATOM 437 CB LYS A 28 -2.889 -6.330 -10.893 1.00 0.00 C ATOM 438 CG LYS A 28 -1.560 -5.771 -11.432 1.00 0.00 C ATOM 439 CD LYS A 28 -0.358 -6.673 -11.115 1.00 0.00 C ATOM 440 CE LYS A 28 -0.086 -6.755 -9.611 1.00 0.00 C ATOM 441 NZ LYS A 28 1.164 -7.486 -9.303 1.00 0.00 N ATOM 0 H LYS A 28 -3.301 -4.352 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.037 -5.037 -12.224 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.810 -6.475 -9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.075 -7.310 -11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.637 -5.643 -12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.388 -4.783 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.542 -7.674 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.527 -6.290 -11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.025 -5.747 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.924 -7.250 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.027 -8.063 -8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.410 -8.104 -10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.934 -6.805 -9.142 1.00 0.00 H new ATOM 455 N ILE A 29 -6.062 -6.174 -9.930 1.00 0.00 N ATOM 456 CA ILE A 29 -7.371 -6.829 -9.731 1.00 0.00 C ATOM 457 C ILE A 29 -8.522 -5.955 -10.261 1.00 0.00 C ATOM 458 O ILE A 29 -9.447 -6.485 -10.872 1.00 0.00 O ATOM 459 CB ILE A 29 -7.553 -7.242 -8.248 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.554 -8.359 -7.852 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.982 -7.747 -7.977 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.356 -8.484 -6.333 1.00 0.00 C ATOM 0 H ILE A 29 -5.705 -5.722 -9.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.397 -7.746 -10.319 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.364 -6.351 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.910 -9.311 -8.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.591 -8.160 -8.322 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.076 -8.028 -6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.697 -6.957 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.187 -8.614 -8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.645 -9.283 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.972 -7.544 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.310 -8.714 -5.859 1.00 0.00 H new ATOM 474 N ASN A 30 -8.464 -4.632 -10.099 1.00 0.00 N ATOM 475 CA ASN A 30 -9.485 -3.702 -10.599 1.00 0.00 C ATOM 476 C ASN A 30 -9.361 -3.416 -12.114 1.00 0.00 C ATOM 477 O ASN A 30 -10.330 -2.987 -12.747 1.00 0.00 O ATOM 478 CB ASN A 30 -9.386 -2.419 -9.753 1.00 0.00 C ATOM 479 CG ASN A 30 -10.515 -1.440 -10.023 1.00 0.00 C ATOM 480 OD1 ASN A 30 -10.356 -0.443 -10.718 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.686 -1.688 -9.487 1.00 0.00 N ATOM 0 H ASN A 30 -7.698 -4.168 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.471 -4.154 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.390 -2.686 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.433 -1.930 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.466 -1.051 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.817 -2.518 -8.909 1.00 0.00 H new ATOM 488 N GLY A 31 -8.180 -3.639 -12.703 1.00 0.00 N ATOM 489 CA GLY A 31 -7.859 -3.209 -14.070 1.00 0.00 C ATOM 490 C GLY A 31 -7.648 -1.706 -14.147 1.00 0.00 C ATOM 491 O GLY A 31 -8.277 -1.017 -14.952 1.00 0.00 O ATOM 0 H GLY A 31 -7.413 -4.127 -12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.960 -3.721 -14.412 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.666 -3.499 -14.743 1.00 0.00 H new ATOM 495 N GLY A 32 -6.788 -1.198 -13.266 1.00 0.00 N ATOM 496 CA GLY A 32 -6.471 0.216 -13.144 1.00 0.00 C ATOM 497 C GLY A 32 -5.427 0.723 -14.141 1.00 0.00 C ATOM 498 O GLY A 32 -4.549 -0.001 -14.615 1.00 0.00 O ATOM 0 H GLY A 32 -6.280 -1.780 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.387 0.793 -13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.112 0.409 -12.133 1.00 0.00 H new ATOM 502 N ASP A 33 -5.551 2.002 -14.460 1.00 0.00 N ATOM 503 CA ASP A 33 -4.682 2.766 -15.366 1.00 0.00 C ATOM 504 C ASP A 33 -3.286 3.072 -14.777 1.00 0.00 C ATOM 505 O ASP A 33 -3.110 3.126 -13.556 1.00 0.00 O ATOM 506 CB ASP A 33 -5.411 4.065 -15.751 1.00 0.00 C ATOM 507 CG ASP A 33 -4.657 4.838 -16.826 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.488 4.284 -17.931 1.00 0.00 O ATOM 509 OD2 ASP A 33 -4.162 5.960 -16.557 1.00 0.00 O ATOM 0 H ASP A 33 -6.302 2.575 -14.075 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.491 2.151 -16.246 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.413 3.828 -16.109 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.529 4.692 -14.867 1.00 0.00 H new ATOM 514 N SER A 34 -2.299 3.350 -15.641 1.00 0.00 N ATOM 515 CA SER A 34 -0.930 3.730 -15.241 1.00 0.00 C ATOM 516 C SER A 34 -0.874 5.001 -14.378 1.00 0.00 C ATOM 517 O SER A 34 -0.025 5.112 -13.491 1.00 0.00 O ATOM 518 CB SER A 34 -0.055 3.883 -16.494 1.00 0.00 C ATOM 519 OG SER A 34 1.312 4.062 -16.168 1.00 0.00 O ATOM 0 H SER A 34 -2.428 3.318 -16.652 1.00 0.00 H new ATOM 0 HA SER A 34 -0.545 2.928 -14.611 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.165 3.000 -17.123 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.403 4.735 -17.078 1.00 0.00 H new ATOM 0 HG SER A 34 1.835 4.154 -16.991 1.00 0.00 H new ATOM 525 N THR A 35 -1.811 5.939 -14.561 1.00 0.00 N ATOM 526 CA THR A 35 -1.947 7.126 -13.712 1.00 0.00 C ATOM 527 C THR A 35 -2.606 6.810 -12.365 1.00 0.00 C ATOM 528 O THR A 35 -2.197 7.355 -11.343 1.00 0.00 O ATOM 529 CB THR A 35 -2.728 8.222 -14.436 1.00 0.00 C ATOM 530 OG1 THR A 35 -4.054 7.832 -14.710 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.079 8.695 -15.735 1.00 0.00 C ATOM 0 H THR A 35 -2.502 5.894 -15.310 1.00 0.00 H new ATOM 0 HA THR A 35 -0.938 7.482 -13.505 1.00 0.00 H new ATOM 0 HB THR A 35 -2.722 9.059 -13.737 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.059 7.184 -15.445 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.695 9.473 -16.187 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.088 9.095 -15.522 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.991 7.855 -16.424 1.00 0.00 H new ATOM 539 N THR A 36 -3.548 5.863 -12.293 1.00 0.00 N ATOM 540 CA THR A 36 -4.058 5.350 -11.012 1.00 0.00 C ATOM 541 C THR A 36 -2.968 4.578 -10.250 1.00 0.00 C ATOM 542 O THR A 36 -2.898 4.660 -9.026 1.00 0.00 O ATOM 543 CB THR A 36 -5.300 4.467 -11.218 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.100 4.905 -12.299 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.196 4.498 -9.990 1.00 0.00 C ATOM 0 H THR A 36 -3.977 5.432 -13.112 1.00 0.00 H new ATOM 0 HA THR A 36 -4.351 6.210 -10.410 1.00 0.00 H new ATOM 0 HB THR A 36 -4.916 3.466 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.876 4.313 -12.393 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.068 3.866 -10.160 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.643 4.129 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.521 5.521 -9.802 1.00 0.00 H new ATOM 553 N ALA A 37 -2.040 3.921 -10.953 1.00 0.00 N ATOM 554 CA ALA A 37 -0.850 3.318 -10.348 1.00 0.00 C ATOM 555 C ALA A 37 0.139 4.381 -9.812 1.00 0.00 C ATOM 556 O ALA A 37 0.779 4.161 -8.784 1.00 0.00 O ATOM 557 CB ALA A 37 -0.209 2.366 -11.366 1.00 0.00 C ATOM 0 H ALA A 37 -2.094 3.792 -11.963 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.144 2.743 -9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.679 1.910 -10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.922 1.587 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.073 2.924 -12.259 1.00 0.00 H new ATOM 563 N GLU A 38 0.209 5.570 -10.426 1.00 0.00 N ATOM 564 CA GLU A 38 0.902 6.729 -9.838 1.00 0.00 C ATOM 565 C GLU A 38 0.223 7.232 -8.552 1.00 0.00 C ATOM 566 O GLU A 38 0.923 7.461 -7.561 1.00 0.00 O ATOM 567 CB GLU A 38 1.086 7.860 -10.852 1.00 0.00 C ATOM 568 CG GLU A 38 2.118 7.584 -11.955 1.00 0.00 C ATOM 569 CD GLU A 38 3.511 7.288 -11.394 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.966 8.033 -10.495 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.138 6.289 -11.826 1.00 0.00 O ATOM 0 H GLU A 38 -0.209 5.757 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 38 1.895 6.379 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.124 8.068 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.382 8.762 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.785 6.738 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.173 8.446 -12.620 1.00 0.00 H new ATOM 578 N LYS A 39 -1.117 7.305 -8.510 1.00 0.00 N ATOM 579 CA LYS A 39 -1.885 7.593 -7.287 1.00 0.00 C ATOM 580 C LYS A 39 -1.670 6.560 -6.169 1.00 0.00 C ATOM 581 O LYS A 39 -1.624 6.949 -5.001 1.00 0.00 O ATOM 582 CB LYS A 39 -3.374 7.720 -7.634 1.00 0.00 C ATOM 583 CG LYS A 39 -3.813 9.126 -8.060 1.00 0.00 C ATOM 584 CD LYS A 39 -3.517 9.510 -9.515 1.00 0.00 C ATOM 585 CE LYS A 39 -4.105 10.901 -9.771 1.00 0.00 C ATOM 586 NZ LYS A 39 -4.099 11.264 -11.205 1.00 0.00 N ATOM 0 H LYS A 39 -1.704 7.164 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.513 8.538 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.607 7.022 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.962 7.417 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.886 9.217 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.326 9.851 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.442 9.512 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.954 8.781 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.128 10.934 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.535 11.642 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.507 12.213 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.122 11.260 -11.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.665 10.574 -11.740 1.00 0.00 H new ATOM 600 N MET A 40 -1.474 5.275 -6.486 1.00 0.00 N ATOM 601 CA MET A 40 -1.135 4.248 -5.481 1.00 0.00 C ATOM 602 C MET A 40 0.232 4.497 -4.830 1.00 0.00 C ATOM 603 O MET A 40 0.356 4.383 -3.610 1.00 0.00 O ATOM 604 CB MET A 40 -1.143 2.837 -6.093 1.00 0.00 C ATOM 605 CG MET A 40 -2.535 2.343 -6.483 1.00 0.00 C ATOM 606 SD MET A 40 -3.701 2.181 -5.104 1.00 0.00 S ATOM 607 CE MET A 40 -4.997 1.233 -5.943 1.00 0.00 C ATOM 0 H MET A 40 -1.544 4.915 -7.438 1.00 0.00 H new ATOM 0 HA MET A 40 -1.905 4.318 -4.713 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.504 2.830 -6.976 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.706 2.139 -5.379 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.956 3.030 -7.217 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.437 1.374 -6.973 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.811 1.034 -5.246 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.376 1.805 -6.790 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.585 0.289 -6.299 1.00 0.00 H new ATOM 617 N LYS A 41 1.243 4.901 -5.615 1.00 0.00 N ATOM 618 CA LYS A 41 2.555 5.322 -5.078 1.00 0.00 C ATOM 619 C LYS A 41 2.403 6.497 -4.101 1.00 0.00 C ATOM 620 O LYS A 41 2.966 6.455 -3.009 1.00 0.00 O ATOM 621 CB LYS A 41 3.549 5.645 -6.194 1.00 0.00 C ATOM 622 CG LYS A 41 3.875 4.469 -7.129 1.00 0.00 C ATOM 623 CD LYS A 41 4.680 4.923 -8.356 1.00 0.00 C ATOM 624 CE LYS A 41 4.762 3.772 -9.365 1.00 0.00 C ATOM 625 NZ LYS A 41 5.479 4.147 -10.605 1.00 0.00 N ATOM 0 H LYS A 41 1.180 4.946 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 41 2.965 4.479 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.150 6.465 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.476 6.000 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.441 3.715 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.949 3.997 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.206 5.791 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.682 5.229 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.266 2.924 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.754 3.444 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.654 3.296 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.901 4.817 -11.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.387 4.592 -10.360 1.00 0.00 H new ATOM 639 N VAL A 42 1.574 7.487 -4.447 1.00 0.00 N ATOM 640 CA VAL A 42 1.242 8.634 -3.577 1.00 0.00 C ATOM 641 C VAL A 42 0.535 8.200 -2.285 1.00 0.00 C ATOM 642 O VAL A 42 0.896 8.689 -1.218 1.00 0.00 O ATOM 643 CB VAL A 42 0.409 9.679 -4.353 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.173 10.794 -3.476 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.264 10.351 -5.432 1.00 0.00 C ATOM 0 H VAL A 42 1.104 7.520 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 42 2.181 9.098 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.419 9.114 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.743 11.485 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.828 10.359 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.638 11.332 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.662 11.084 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.113 10.851 -4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.626 9.597 -6.131 1.00 0.00 H new ATOM 655 N HIS A 43 -0.409 7.251 -2.339 1.00 0.00 N ATOM 656 CA HIS A 43 -1.164 6.777 -1.173 1.00 0.00 C ATOM 657 C HIS A 43 -0.235 6.060 -0.193 1.00 0.00 C ATOM 658 O HIS A 43 -0.281 6.307 1.011 1.00 0.00 O ATOM 659 CB HIS A 43 -2.292 5.843 -1.650 1.00 0.00 C ATOM 660 CG HIS A 43 -3.178 5.256 -0.571 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.341 5.699 0.726 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.007 4.176 -0.722 1.00 0.00 C ATOM 663 CE1 HIS A 43 -4.234 4.901 1.334 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.678 3.953 0.491 1.00 0.00 N ATOM 0 H HIS A 43 -0.673 6.785 -3.207 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.604 7.626 -0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.922 6.396 -2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.843 5.022 -2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.125 3.593 -1.624 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.552 5.007 2.361 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.361 3.223 0.691 1.00 0.00 H new ATOM 672 N ALA A 44 0.666 5.227 -0.721 1.00 0.00 N ATOM 673 CA ALA A 44 1.649 4.514 0.078 1.00 0.00 C ATOM 674 C ALA A 44 2.637 5.466 0.778 1.00 0.00 C ATOM 675 O ALA A 44 2.929 5.315 1.967 1.00 0.00 O ATOM 676 CB ALA A 44 2.385 3.547 -0.856 1.00 0.00 C ATOM 0 H ALA A 44 0.729 5.032 -1.720 1.00 0.00 H new ATOM 0 HA ALA A 44 1.144 3.972 0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.133 2.993 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.671 2.849 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.875 4.110 -1.650 1.00 0.00 H new ATOM 682 N LYS A 45 3.123 6.475 0.046 1.00 0.00 N ATOM 683 CA LYS A 45 4.088 7.464 0.543 1.00 0.00 C ATOM 684 C LYS A 45 3.457 8.430 1.555 1.00 0.00 C ATOM 685 O LYS A 45 4.108 8.744 2.553 1.00 0.00 O ATOM 686 CB LYS A 45 4.730 8.184 -0.658 1.00 0.00 C ATOM 687 CG LYS A 45 5.692 7.254 -1.430 1.00 0.00 C ATOM 688 CD LYS A 45 6.048 7.826 -2.809 1.00 0.00 C ATOM 689 CE LYS A 45 6.885 6.875 -3.684 1.00 0.00 C ATOM 690 NZ LYS A 45 8.269 6.684 -3.186 1.00 0.00 N ATOM 0 H LYS A 45 2.852 6.630 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 45 4.875 6.953 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.949 8.539 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.274 9.062 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.603 7.110 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.232 6.273 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.127 8.073 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.598 8.757 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.388 5.906 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.923 7.267 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.779 6.034 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.759 7.601 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.241 6.283 -2.227 1.00 0.00 H new ATOM 704 N SER A 46 2.201 8.852 1.365 1.00 0.00 N ATOM 705 CA SER A 46 1.489 9.701 2.332 1.00 0.00 C ATOM 706 C SER A 46 1.053 8.938 3.589 1.00 0.00 C ATOM 707 O SER A 46 1.169 9.483 4.688 1.00 0.00 O ATOM 708 CB SER A 46 0.320 10.441 1.666 1.00 0.00 C ATOM 709 OG SER A 46 -0.739 9.586 1.275 1.00 0.00 O ATOM 0 H SER A 46 1.650 8.616 0.540 1.00 0.00 H new ATOM 0 HA SER A 46 2.200 10.452 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.065 11.192 2.356 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.689 10.974 0.790 1.00 0.00 H new ATOM 0 HG SER A 46 -0.504 9.137 0.436 1.00 0.00 H new ATOM 715 N PHE A 47 0.666 7.658 3.462 1.00 0.00 N ATOM 716 CA PHE A 47 0.390 6.772 4.601 1.00 0.00 C ATOM 717 C PHE A 47 1.582 6.694 5.567 1.00 0.00 C ATOM 718 O PHE A 47 1.426 6.950 6.765 1.00 0.00 O ATOM 719 CB PHE A 47 0.016 5.367 4.106 1.00 0.00 C ATOM 720 CG PHE A 47 -0.152 4.350 5.224 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.288 4.390 6.054 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.856 3.397 5.473 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.411 3.490 7.130 1.00 0.00 C ATOM 724 CE2 PHE A 47 0.729 2.492 6.542 1.00 0.00 C ATOM 725 CZ PHE A 47 -0.404 2.541 7.374 1.00 0.00 C ATOM 0 H PHE A 47 0.535 7.207 2.557 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.452 7.196 5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.913 5.427 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.787 5.016 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.068 5.113 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.730 3.362 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.281 3.529 7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.501 1.759 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.500 1.850 8.199 1.00 0.00 H new ATOM 735 N GLU A 48 2.777 6.386 5.048 1.00 0.00 N ATOM 736 CA GLU A 48 3.993 6.276 5.859 1.00 0.00 C ATOM 737 C GLU A 48 4.476 7.629 6.389 1.00 0.00 C ATOM 738 O GLU A 48 4.836 7.714 7.556 1.00 0.00 O ATOM 739 CB GLU A 48 5.034 5.417 5.165 1.00 0.00 C ATOM 740 CG GLU A 48 6.290 6.128 4.713 1.00 0.00 C ATOM 741 CD GLU A 48 7.297 6.550 5.799 1.00 0.00 C ATOM 742 OE1 GLU A 48 7.423 5.870 6.846 1.00 0.00 O ATOM 743 OE2 GLU A 48 8.048 7.529 5.552 1.00 0.00 O ATOM 0 H GLU A 48 2.927 6.206 4.055 1.00 0.00 H new ATOM 0 HA GLU A 48 3.756 5.735 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.320 4.612 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.571 4.953 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.809 5.479 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.992 7.022 4.165 1.00 0.00 H new ATOM 750 N ALA A 49 4.416 8.703 5.593 1.00 0.00 N ATOM 751 CA ALA A 49 4.829 10.036 6.039 1.00 0.00 C ATOM 752 C ALA A 49 3.993 10.556 7.227 1.00 0.00 C ATOM 753 O ALA A 49 4.515 11.275 8.081 1.00 0.00 O ATOM 754 CB ALA A 49 4.757 10.987 4.842 1.00 0.00 C ATOM 0 H ALA A 49 4.082 8.672 4.630 1.00 0.00 H new ATOM 0 HA ALA A 49 5.852 9.979 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.061 11.987 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.424 10.633 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.735 11.020 4.464 1.00 0.00 H new ATOM 760 N ALA A 50 2.718 10.158 7.311 1.00 0.00 N ATOM 761 CA ALA A 50 1.838 10.459 8.439 1.00 0.00 C ATOM 762 C ALA A 50 2.104 9.527 9.637 1.00 0.00 C ATOM 763 O ALA A 50 2.248 9.992 10.769 1.00 0.00 O ATOM 764 CB ALA A 50 0.391 10.390 7.936 1.00 0.00 C ATOM 0 H ALA A 50 2.264 9.608 6.582 1.00 0.00 H new ATOM 0 HA ALA A 50 2.036 11.462 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.291 10.611 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.248 11.120 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.186 9.390 7.553 1.00 0.00 H new ATOM 770 N LEU A 51 2.267 8.216 9.411 1.00 0.00 N ATOM 771 CA LEU A 51 2.598 7.270 10.483 1.00 0.00 C ATOM 772 C LEU A 51 3.995 7.534 11.086 1.00 0.00 C ATOM 773 O LEU A 51 4.207 7.322 12.280 1.00 0.00 O ATOM 774 CB LEU A 51 2.442 5.835 9.945 1.00 0.00 C ATOM 775 CG LEU A 51 2.555 4.750 11.032 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.427 4.814 12.065 1.00 0.00 C ATOM 777 CD2 LEU A 51 2.545 3.360 10.401 1.00 0.00 C ATOM 0 H LEU A 51 2.174 7.786 8.491 1.00 0.00 H new ATOM 0 HA LEU A 51 1.904 7.409 11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.474 5.744 9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.203 5.657 9.186 1.00 0.00 H new ATOM 0 HG LEU A 51 3.498 4.940 11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.564 4.024 12.803 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.445 5.783 12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.468 4.681 11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.626 2.605 11.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.614 3.216 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.388 3.265 9.717 1.00 0.00 H new ATOM 789 N PHE A 52 4.933 8.068 10.303 1.00 0.00 N ATOM 790 CA PHE A 52 6.257 8.494 10.756 1.00 0.00 C ATOM 791 C PHE A 52 6.188 9.642 11.778 1.00 0.00 C ATOM 792 O PHE A 52 6.983 9.673 12.718 1.00 0.00 O ATOM 793 CB PHE A 52 7.112 8.865 9.533 1.00 0.00 C ATOM 794 CG PHE A 52 8.546 9.247 9.855 1.00 0.00 C ATOM 795 CD1 PHE A 52 9.364 8.377 10.604 1.00 0.00 C ATOM 796 CD2 PHE A 52 9.068 10.475 9.406 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.685 8.742 10.913 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.392 10.838 9.714 1.00 0.00 C ATOM 799 CZ PHE A 52 11.201 9.971 10.469 1.00 0.00 C ATOM 0 H PHE A 52 4.787 8.221 9.305 1.00 0.00 H new ATOM 0 HA PHE A 52 6.727 7.663 11.282 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.121 8.021 8.843 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.637 9.697 9.013 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.974 7.428 10.941 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.450 11.141 8.823 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.306 8.076 11.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.787 11.783 9.370 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.217 10.249 10.707 1.00 0.00 H new ATOM 809 N GLU A 53 5.204 10.541 11.689 1.00 0.00 N ATOM 810 CA GLU A 53 4.932 11.541 12.735 1.00 0.00 C ATOM 811 C GLU A 53 4.289 10.963 14.011 1.00 0.00 C ATOM 812 O GLU A 53 4.331 11.612 15.060 1.00 0.00 O ATOM 813 CB GLU A 53 4.105 12.700 12.152 1.00 0.00 C ATOM 814 CG GLU A 53 4.942 13.657 11.292 1.00 0.00 C ATOM 815 CD GLU A 53 6.070 14.303 12.108 1.00 0.00 C ATOM 816 OE1 GLU A 53 5.794 15.201 12.941 1.00 0.00 O ATOM 817 OE2 GLU A 53 7.244 13.879 11.963 1.00 0.00 O ATOM 0 H GLU A 53 4.571 10.599 10.891 1.00 0.00 H new ATOM 0 HA GLU A 53 5.900 11.919 13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.293 12.293 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.647 13.259 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.367 13.113 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.299 14.434 10.879 1.00 0.00 H new ATOM 824 N LYS A 54 3.748 9.737 13.954 1.00 0.00 N ATOM 825 CA LYS A 54 3.211 8.968 15.094 1.00 0.00 C ATOM 826 C LYS A 54 4.194 7.941 15.675 1.00 0.00 C ATOM 827 O LYS A 54 3.906 7.307 16.690 1.00 0.00 O ATOM 828 CB LYS A 54 1.885 8.321 14.663 1.00 0.00 C ATOM 829 CG LYS A 54 0.857 9.407 14.325 1.00 0.00 C ATOM 830 CD LYS A 54 -0.596 8.912 14.293 1.00 0.00 C ATOM 831 CE LYS A 54 -0.891 8.031 13.077 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.301 7.573 13.085 1.00 0.00 N ATOM 0 H LYS A 54 3.668 9.229 13.073 1.00 0.00 H new ATOM 0 HA LYS A 54 3.039 9.662 15.917 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.048 7.681 13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.505 7.685 15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.939 10.210 15.058 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.104 9.836 13.354 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.805 8.350 15.203 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.268 9.770 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.691 8.588 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.224 7.169 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.477 6.977 12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.482 7.022 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.934 8.398 13.061 1.00 0.00 H new ATOM 846 N SER A 55 5.373 7.820 15.062 1.00 0.00 N ATOM 847 CA SER A 55 6.487 6.916 15.410 1.00 0.00 C ATOM 848 C SER A 55 7.197 7.184 16.753 1.00 0.00 C ATOM 849 O SER A 55 8.347 6.776 16.943 1.00 0.00 O ATOM 850 CB SER A 55 7.487 6.814 14.246 1.00 0.00 C ATOM 851 OG SER A 55 8.347 7.937 14.160 1.00 0.00 O ATOM 0 H SER A 55 5.598 8.391 14.247 1.00 0.00 H new ATOM 0 HA SER A 55 6.009 5.950 15.574 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.086 5.912 14.366 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.938 6.710 13.310 1.00 0.00 H new ATOM 0 HG SER A 55 8.015 8.551 13.473 1.00 0.00 H new ATOM 857 N SER A 56 6.557 7.880 17.700 1.00 0.00 N ATOM 858 CA SER A 56 7.106 8.189 19.033 1.00 0.00 C ATOM 859 C SER A 56 7.400 6.930 19.875 1.00 0.00 C ATOM 860 O SER A 56 8.182 6.989 20.828 1.00 0.00 O ATOM 861 CB SER A 56 6.157 9.158 19.754 1.00 0.00 C ATOM 862 OG SER A 56 4.830 8.653 19.776 1.00 0.00 O ATOM 0 H SER A 56 5.619 8.255 17.561 1.00 0.00 H new ATOM 0 HA SER A 56 8.076 8.668 18.898 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.504 9.320 20.774 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.173 10.126 19.254 1.00 0.00 H new ATOM 0 HG SER A 56 4.246 9.287 20.242 1.00 0.00 H new ATOM 868 N SER A 57 6.848 5.784 19.464 1.00 0.00 N ATOM 869 CA SER A 57 7.283 4.421 19.792 1.00 0.00 C ATOM 870 C SER A 57 7.436 3.600 18.500 1.00 0.00 C ATOM 871 O SER A 57 6.596 3.703 17.600 1.00 0.00 O ATOM 872 CB SER A 57 6.266 3.716 20.697 1.00 0.00 C ATOM 873 OG SER A 57 5.991 4.444 21.877 1.00 0.00 O ATOM 0 H SER A 57 6.031 5.783 18.853 1.00 0.00 H new ATOM 0 HA SER A 57 8.236 4.493 20.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.339 3.563 20.145 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.645 2.729 20.963 1.00 0.00 H new ATOM 0 HG SER A 57 5.337 3.955 22.418 1.00 0.00 H new ATOM 879 N LYS A 58 8.450 2.728 18.427 1.00 0.00 N ATOM 880 CA LYS A 58 8.637 1.742 17.344 1.00 0.00 C ATOM 881 C LYS A 58 7.483 0.739 17.310 1.00 0.00 C ATOM 882 O LYS A 58 7.001 0.422 16.229 1.00 0.00 O ATOM 883 CB LYS A 58 9.995 1.045 17.547 1.00 0.00 C ATOM 884 CG LYS A 58 10.370 0.021 16.502 1.00 0.00 C ATOM 885 CD LYS A 58 11.761 -0.568 16.794 1.00 0.00 C ATOM 886 CE LYS A 58 12.282 -1.384 15.610 1.00 0.00 C ATOM 887 NZ LYS A 58 11.883 -2.811 15.655 1.00 0.00 N ATOM 0 H LYS A 58 9.183 2.684 19.135 1.00 0.00 H new ATOM 0 HA LYS A 58 8.636 2.247 16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.773 1.808 17.577 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.990 0.557 18.522 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.628 -0.777 16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.365 0.483 15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.460 0.238 17.017 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.711 -1.201 17.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.915 -0.941 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.370 -1.320 15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.364 -3.330 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.151 -3.218 16.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.853 -2.888 15.530 1.00 0.00 H new ATOM 901 N GLU A 59 6.984 0.309 18.471 1.00 0.00 N ATOM 902 CA GLU A 59 5.824 -0.591 18.569 1.00 0.00 C ATOM 903 C GLU A 59 4.560 0.009 17.934 1.00 0.00 C ATOM 904 O GLU A 59 3.847 -0.704 17.242 1.00 0.00 O ATOM 905 CB GLU A 59 5.536 -0.946 20.038 1.00 0.00 C ATOM 906 CG GLU A 59 6.560 -1.906 20.659 1.00 0.00 C ATOM 907 CD GLU A 59 6.338 -3.367 20.248 1.00 0.00 C ATOM 908 OE1 GLU A 59 6.796 -3.785 19.157 1.00 0.00 O ATOM 909 OE2 GLU A 59 5.757 -4.137 21.051 1.00 0.00 O ATOM 0 H GLU A 59 7.372 0.574 19.376 1.00 0.00 H new ATOM 0 HA GLU A 59 6.083 -1.493 18.014 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.511 -0.028 20.625 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.545 -1.395 20.105 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.563 -1.599 20.363 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.511 -1.828 21.745 1.00 0.00 H new ATOM 916 N GLU A 60 4.282 1.309 18.092 1.00 0.00 N ATOM 917 CA GLU A 60 3.094 1.922 17.472 1.00 0.00 C ATOM 918 C GLU A 60 3.239 2.078 15.955 1.00 0.00 C ATOM 919 O GLU A 60 2.276 1.822 15.226 1.00 0.00 O ATOM 920 CB GLU A 60 2.789 3.295 18.097 1.00 0.00 C ATOM 921 CG GLU A 60 2.313 3.249 19.555 1.00 0.00 C ATOM 922 CD GLU A 60 0.989 2.491 19.733 1.00 0.00 C ATOM 923 OE1 GLU A 60 -0.018 2.848 19.078 1.00 0.00 O ATOM 924 OE2 GLU A 60 0.930 1.548 20.563 1.00 0.00 O ATOM 0 H GLU A 60 4.855 1.953 18.637 1.00 0.00 H new ATOM 0 HA GLU A 60 2.265 1.241 17.665 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.687 3.911 18.042 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.026 3.790 17.496 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.081 2.776 20.167 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.194 4.268 19.924 1.00 0.00 H new ATOM 931 N TYR A 61 4.438 2.432 15.471 1.00 0.00 N ATOM 932 CA TYR A 61 4.733 2.439 14.037 1.00 0.00 C ATOM 933 C TYR A 61 4.568 1.025 13.455 1.00 0.00 C ATOM 934 O TYR A 61 3.818 0.831 12.501 1.00 0.00 O ATOM 935 CB TYR A 61 6.145 2.998 13.782 1.00 0.00 C ATOM 936 CG TYR A 61 6.474 3.179 12.307 1.00 0.00 C ATOM 937 CD1 TYR A 61 6.151 4.375 11.629 1.00 0.00 C ATOM 938 CD2 TYR A 61 7.075 2.122 11.598 1.00 0.00 C ATOM 939 CE1 TYR A 61 6.405 4.511 10.245 1.00 0.00 C ATOM 940 CE2 TYR A 61 7.324 2.249 10.219 1.00 0.00 C ATOM 941 CZ TYR A 61 6.989 3.439 9.534 1.00 0.00 C ATOM 942 OH TYR A 61 7.259 3.532 8.203 1.00 0.00 O ATOM 0 H TYR A 61 5.221 2.718 16.058 1.00 0.00 H new ATOM 0 HA TYR A 61 4.024 3.093 13.529 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.243 3.959 14.288 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.878 2.327 14.229 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.705 5.194 12.174 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.345 1.212 12.113 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.154 5.429 9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.775 1.430 9.679 1.00 0.00 H new ATOM 0 HH TYR A 61 7.157 4.462 7.913 1.00 0.00 H new ATOM 952 N GLN A 62 5.194 0.016 14.071 1.00 0.00 N ATOM 953 CA GLN A 62 5.160 -1.362 13.586 1.00 0.00 C ATOM 954 C GLN A 62 3.753 -1.960 13.647 1.00 0.00 C ATOM 955 O GLN A 62 3.299 -2.544 12.662 1.00 0.00 O ATOM 956 CB GLN A 62 6.114 -2.251 14.406 1.00 0.00 C ATOM 957 CG GLN A 62 7.589 -2.097 14.028 1.00 0.00 C ATOM 958 CD GLN A 62 8.436 -3.176 14.697 1.00 0.00 C ATOM 959 OE1 GLN A 62 9.086 -2.964 15.712 1.00 0.00 O ATOM 960 NE2 GLN A 62 8.463 -4.377 14.170 1.00 0.00 N ATOM 0 H GLN A 62 5.740 0.136 14.924 1.00 0.00 H new ATOM 0 HA GLN A 62 5.479 -1.333 12.544 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.994 -2.016 15.464 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.824 -3.294 14.277 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.700 -2.160 12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.945 -1.111 14.328 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.928 -4.575 13.324 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.019 -5.113 14.606 1.00 0.00 H new ATOM 969 N LYS A 63 3.035 -1.807 14.768 1.00 0.00 N ATOM 970 CA LYS A 63 1.745 -2.483 14.948 1.00 0.00 C ATOM 971 C LYS A 63 0.671 -1.911 14.033 1.00 0.00 C ATOM 972 O LYS A 63 -0.116 -2.674 13.474 1.00 0.00 O ATOM 973 CB LYS A 63 1.316 -2.455 16.421 1.00 0.00 C ATOM 974 CG LYS A 63 2.161 -3.424 17.261 1.00 0.00 C ATOM 975 CD LYS A 63 1.795 -3.320 18.746 1.00 0.00 C ATOM 976 CE LYS A 63 2.690 -4.225 19.597 1.00 0.00 C ATOM 977 NZ LYS A 63 2.339 -5.658 19.475 1.00 0.00 N ATOM 0 H LYS A 63 3.323 -1.227 15.556 1.00 0.00 H new ATOM 0 HA LYS A 63 1.874 -3.526 14.660 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.419 -1.443 16.814 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.262 -2.723 16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.004 -4.445 16.914 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.219 -3.201 17.126 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.897 -2.287 19.078 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.751 -3.599 18.887 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.729 -4.084 19.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.614 -3.925 20.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.976 -6.223 20.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.357 -5.802 19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.437 -5.956 18.484 1.00 0.00 H new ATOM 991 N THR A 64 0.685 -0.596 13.815 1.00 0.00 N ATOM 992 CA THR A 64 -0.249 0.085 12.904 1.00 0.00 C ATOM 993 C THR A 64 0.089 -0.206 11.439 1.00 0.00 C ATOM 994 O THR A 64 -0.807 -0.541 10.666 1.00 0.00 O ATOM 995 CB THR A 64 -0.262 1.597 13.178 1.00 0.00 C ATOM 996 OG1 THR A 64 -0.363 1.843 14.567 1.00 0.00 O ATOM 997 CG2 THR A 64 -1.435 2.304 12.504 1.00 0.00 C ATOM 0 H THR A 64 1.347 0.035 14.266 1.00 0.00 H new ATOM 0 HA THR A 64 -1.249 -0.306 13.092 1.00 0.00 H new ATOM 0 HB THR A 64 0.671 1.986 12.771 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.515 1.722 14.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.396 3.370 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.376 2.160 11.425 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.372 1.888 12.875 1.00 0.00 H new ATOM 1005 N MET A 65 1.379 -0.195 11.074 1.00 0.00 N ATOM 1006 CA MET A 65 1.870 -0.630 9.758 1.00 0.00 C ATOM 1007 C MET A 65 1.398 -2.053 9.431 1.00 0.00 C ATOM 1008 O MET A 65 0.746 -2.266 8.407 1.00 0.00 O ATOM 1009 CB MET A 65 3.406 -0.492 9.743 1.00 0.00 C ATOM 1010 CG MET A 65 4.127 -1.044 8.507 1.00 0.00 C ATOM 1011 SD MET A 65 4.452 -2.835 8.466 1.00 0.00 S ATOM 1012 CE MET A 65 5.546 -3.080 9.893 1.00 0.00 C ATOM 0 H MET A 65 2.123 0.122 11.695 1.00 0.00 H new ATOM 0 HA MET A 65 1.456 0.003 8.973 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.655 0.565 9.841 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.803 -0.996 10.624 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.536 -0.787 7.628 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.081 -0.525 8.412 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.115 -4.000 9.761 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.232 -2.237 9.974 1.00 0.00 H new ATOM 0 HE3 MET A 65 4.948 -3.150 10.802 1.00 0.00 H new ATOM 1022 N LYS A 66 1.627 -3.013 10.336 1.00 0.00 N ATOM 1023 CA LYS A 66 1.207 -4.408 10.143 1.00 0.00 C ATOM 1024 C LYS A 66 -0.315 -4.582 10.131 1.00 0.00 C ATOM 1025 O LYS A 66 -0.818 -5.398 9.366 1.00 0.00 O ATOM 1026 CB LYS A 66 1.907 -5.322 11.135 1.00 0.00 C ATOM 1027 CG LYS A 66 2.264 -6.642 10.439 1.00 0.00 C ATOM 1028 CD LYS A 66 3.554 -6.554 9.602 1.00 0.00 C ATOM 1029 CE LYS A 66 3.962 -7.941 9.098 1.00 0.00 C ATOM 1030 NZ LYS A 66 5.266 -7.891 8.400 1.00 0.00 N ATOM 0 H LYS A 66 2.107 -2.846 11.220 1.00 0.00 H new ATOM 0 HA LYS A 66 1.525 -4.709 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.809 -4.842 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.260 -5.512 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.378 -7.423 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.438 -6.940 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.401 -5.884 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.357 -6.129 10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.022 -8.634 9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.198 -8.325 8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.519 -8.844 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.199 -7.247 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.997 -7.547 9.055 1.00 0.00 H new ATOM 1044 N SER A 67 -1.053 -3.774 10.901 1.00 0.00 N ATOM 1045 CA SER A 67 -2.519 -3.830 10.971 1.00 0.00 C ATOM 1046 C SER A 67 -3.163 -3.415 9.645 1.00 0.00 C ATOM 1047 O SER A 67 -4.037 -4.126 9.138 1.00 0.00 O ATOM 1048 CB SER A 67 -3.021 -2.937 12.112 1.00 0.00 C ATOM 1049 OG SER A 67 -4.429 -2.988 12.194 1.00 0.00 O ATOM 0 H SER A 67 -0.646 -3.055 11.499 1.00 0.00 H new ATOM 0 HA SER A 67 -2.809 -4.862 11.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.583 -3.262 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.697 -1.909 11.947 1.00 0.00 H new ATOM 0 HG SER A 67 -4.735 -2.415 12.927 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.695 -2.311 9.042 1.00 0.00 N ATOM 1056 CA LYS A 68 -3.173 -1.838 7.734 1.00 0.00 C ATOM 1057 C LYS A 68 -2.639 -2.652 6.550 1.00 0.00 C ATOM 1058 O LYS A 68 -3.388 -2.847 5.593 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.898 -0.331 7.578 1.00 0.00 C ATOM 1060 CG LYS A 68 -4.117 0.560 7.888 1.00 0.00 C ATOM 1061 CD LYS A 68 -5.301 0.386 6.913 1.00 0.00 C ATOM 1062 CE LYS A 68 -6.357 1.501 7.025 1.00 0.00 C ATOM 1063 NZ LYS A 68 -7.031 1.517 8.343 1.00 0.00 N ATOM 0 H LYS A 68 -1.971 -1.719 9.450 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.251 -1.998 7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.078 -0.051 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.567 -0.135 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.461 0.344 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.802 1.603 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.920 0.359 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.778 -0.576 7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.880 2.466 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.103 1.370 6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.731 2.285 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.510 0.607 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.326 1.670 9.092 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.415 -3.191 6.613 1.00 0.00 N ATOM 1078 CA ILE A 69 -0.941 -4.165 5.611 1.00 0.00 C ATOM 1079 C ILE A 69 -1.805 -5.432 5.652 1.00 0.00 C ATOM 1080 O ILE A 69 -2.272 -5.861 4.602 1.00 0.00 O ATOM 1081 CB ILE A 69 0.578 -4.445 5.740 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.346 -3.213 5.204 1.00 0.00 C ATOM 1083 CG2 ILE A 69 1.002 -5.719 4.978 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.873 -3.350 5.209 1.00 0.00 C ATOM 0 H ILE A 69 -0.735 -2.973 7.342 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.061 -3.729 4.619 1.00 0.00 H new ATOM 0 HB ILE A 69 0.816 -4.617 6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.017 -3.014 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.072 -2.344 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.074 -5.874 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.464 -6.578 5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.767 -5.605 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.321 -2.438 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.220 -3.515 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.165 -4.195 4.585 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.117 -5.976 6.833 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.065 -7.089 6.982 1.00 0.00 C ATOM 1098 C ASP A 70 -4.463 -6.735 6.444 1.00 0.00 C ATOM 1099 O ASP A 70 -5.072 -7.558 5.763 1.00 0.00 O ATOM 1100 CB ASP A 70 -3.115 -7.512 8.457 1.00 0.00 C ATOM 1101 CG ASP A 70 -4.216 -8.527 8.769 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -4.254 -9.623 8.163 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -5.049 -8.240 9.667 1.00 0.00 O ATOM 0 H ASP A 70 -1.719 -5.657 7.716 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.716 -7.929 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.151 -7.937 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.264 -6.626 9.075 1.00 0.00 H new ATOM 1108 N ALA A 71 -4.962 -5.514 6.667 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.257 -5.073 6.136 1.00 0.00 C ATOM 1110 C ALA A 71 -6.282 -4.983 4.595 1.00 0.00 C ATOM 1111 O ALA A 71 -7.254 -5.411 3.967 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.628 -3.736 6.789 1.00 0.00 C ATOM 0 H ALA A 71 -4.481 -4.805 7.220 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.004 -5.826 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.589 -3.397 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.696 -3.865 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.863 -2.994 6.560 1.00 0.00 H new ATOM 1118 N MET A 72 -5.208 -4.492 3.964 1.00 0.00 N ATOM 1119 CA MET A 72 -5.073 -4.430 2.497 1.00 0.00 C ATOM 1120 C MET A 72 -4.813 -5.810 1.874 1.00 0.00 C ATOM 1121 O MET A 72 -5.408 -6.156 0.851 1.00 0.00 O ATOM 1122 CB MET A 72 -3.960 -3.437 2.121 1.00 0.00 C ATOM 1123 CG MET A 72 -4.356 -1.977 2.370 1.00 0.00 C ATOM 1124 SD MET A 72 -5.678 -1.379 1.278 1.00 0.00 S ATOM 1125 CE MET A 72 -5.817 0.334 1.854 1.00 0.00 C ATOM 0 H MET A 72 -4.397 -4.122 4.460 1.00 0.00 H new ATOM 0 HA MET A 72 -6.021 -4.081 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.064 -3.668 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.706 -3.565 1.069 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.677 -1.869 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.477 -1.345 2.241 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.591 0.848 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.080 0.342 2.912 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.864 0.844 1.714 1.00 0.00 H new ATOM 1135 N ARG A 73 -3.999 -6.647 2.524 1.00 0.00 N ATOM 1136 CA ARG A 73 -3.731 -8.041 2.139 1.00 0.00 C ATOM 1137 C ARG A 73 -4.974 -8.922 2.315 1.00 0.00 C ATOM 1138 O ARG A 73 -5.207 -9.774 1.465 1.00 0.00 O ATOM 1139 CB ARG A 73 -2.478 -8.496 2.918 1.00 0.00 C ATOM 1140 CG ARG A 73 -1.865 -9.848 2.521 1.00 0.00 C ATOM 1141 CD ARG A 73 -0.474 -10.023 3.175 1.00 0.00 C ATOM 1142 NE ARG A 73 0.638 -9.807 2.222 1.00 0.00 N ATOM 1143 CZ ARG A 73 1.872 -9.381 2.455 1.00 0.00 C ATOM 1144 NH1 ARG A 73 2.329 -9.028 3.623 1.00 0.00 N ATOM 1145 NH2 ARG A 73 2.701 -9.317 1.458 1.00 0.00 N ATOM 0 H ARG A 73 -3.490 -6.366 3.362 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.512 -8.136 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.711 -7.730 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.733 -8.537 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.524 -10.659 2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.774 -9.909 1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.377 -9.323 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.398 -11.026 3.594 1.00 0.00 H new ATOM 0 HE ARG A 73 0.425 -10.016 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.722 -9.069 4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.294 -8.711 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.397 -9.591 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.656 -8.993 1.609 1.00 0.00 H new ATOM 1159 N SER A 74 -5.849 -8.621 3.277 1.00 0.00 N ATOM 1160 CA SER A 74 -7.208 -9.190 3.357 1.00 0.00 C ATOM 1161 C SER A 74 -8.120 -8.656 2.239 1.00 0.00 C ATOM 1162 O SER A 74 -8.892 -9.411 1.645 1.00 0.00 O ATOM 1163 CB SER A 74 -7.863 -8.893 4.718 1.00 0.00 C ATOM 1164 OG SER A 74 -7.052 -9.299 5.804 1.00 0.00 O ATOM 0 H SER A 74 -5.638 -7.969 4.033 1.00 0.00 H new ATOM 0 HA SER A 74 -7.095 -10.267 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.064 -7.825 4.797 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.825 -9.403 4.775 1.00 0.00 H new ATOM 0 HG SER A 74 -6.167 -8.885 5.724 1.00 0.00 H new ATOM 1170 N THR A 75 -8.009 -7.363 1.910 1.00 0.00 N ATOM 1171 CA THR A 75 -8.828 -6.694 0.883 1.00 0.00 C ATOM 1172 C THR A 75 -8.577 -7.234 -0.526 1.00 0.00 C ATOM 1173 O THR A 75 -9.542 -7.356 -1.273 1.00 0.00 O ATOM 1174 CB THR A 75 -8.653 -5.165 0.938 1.00 0.00 C ATOM 1175 OG1 THR A 75 -9.175 -4.695 2.160 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.381 -4.397 -0.165 1.00 0.00 C ATOM 0 H THR A 75 -7.337 -6.739 2.356 1.00 0.00 H new ATOM 0 HA THR A 75 -9.867 -6.926 1.118 1.00 0.00 H new ATOM 0 HB THR A 75 -7.584 -4.990 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.627 -5.030 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.200 -3.329 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.012 -4.721 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.451 -4.593 -0.099 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.353 -7.661 -0.887 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.062 -8.290 -2.205 1.00 0.00 C ATOM 1186 C ARG A 76 -8.049 -9.400 -2.565 1.00 0.00 C ATOM 1187 O ARG A 76 -8.613 -9.448 -3.652 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.689 -8.983 -2.195 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.502 -8.040 -2.058 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.232 -8.699 -2.616 1.00 0.00 C ATOM 1191 NE ARG A 76 -2.920 -9.978 -1.950 1.00 0.00 N ATOM 1192 CZ ARG A 76 -1.951 -10.820 -2.249 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.174 -10.669 -3.280 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -1.767 -11.848 -1.480 1.00 0.00 N ATOM 0 H ARG A 76 -6.536 -7.584 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.118 -7.469 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.664 -9.698 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.578 -9.553 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.703 -7.111 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.355 -7.780 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.355 -8.870 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.390 -8.017 -2.498 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.522 -10.240 -1.170 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.300 -9.870 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.438 -11.350 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.365 -11.990 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.024 -12.515 -1.689 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.256 -10.276 -1.597 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.089 -11.476 -1.748 1.00 0.00 C ATOM 1210 C ASP A 77 -10.582 -11.119 -1.878 1.00 0.00 C ATOM 1211 O ASP A 77 -11.330 -11.802 -2.583 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.833 -12.447 -0.586 1.00 0.00 C ATOM 1213 CG ASP A 77 -7.463 -13.125 -0.691 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -7.320 -14.088 -1.482 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.527 -12.729 0.036 1.00 0.00 O ATOM 0 H ASP A 77 -7.848 -10.180 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.808 -11.975 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.898 -11.906 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.613 -13.208 -0.572 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.004 -9.998 -1.277 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.359 -9.442 -1.411 1.00 0.00 C ATOM 1222 C LYS A 78 -12.574 -8.739 -2.739 1.00 0.00 C ATOM 1223 O LYS A 78 -13.545 -9.008 -3.441 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.625 -8.465 -0.255 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.120 -8.423 0.110 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.481 -7.240 1.019 1.00 0.00 C ATOM 1227 CE LYS A 78 -13.987 -7.398 2.462 1.00 0.00 C ATOM 1228 NZ LYS A 78 -14.057 -6.099 3.167 1.00 0.00 N ATOM 0 H LYS A 78 -10.401 -9.441 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.060 -10.276 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.044 -8.764 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.289 -7.467 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.710 -8.365 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.393 -9.353 0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.059 -6.328 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -15.564 -7.116 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.594 -8.137 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.962 -7.768 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.720 -6.216 4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.459 -5.405 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.041 -5.762 3.178 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.588 -7.951 -3.152 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.513 -7.348 -4.496 1.00 0.00 C ATOM 1244 C ARG A 79 -11.628 -8.381 -5.623 1.00 0.00 C ATOM 1245 O ARG A 79 -12.084 -8.025 -6.710 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.215 -6.528 -4.635 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.199 -5.245 -3.793 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.282 -4.273 -4.290 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.060 -2.870 -3.896 1.00 0.00 N ATOM 1250 CZ ARG A 79 -11.629 -1.835 -4.488 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -12.536 -1.950 -5.414 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -11.291 -0.626 -4.172 1.00 0.00 N ATOM 0 H ARG A 79 -10.798 -7.703 -2.557 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.373 -6.687 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.369 -7.152 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.073 -6.265 -5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.370 -5.487 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.219 -4.772 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.334 -4.330 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.249 -4.598 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.427 -2.687 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.841 -2.875 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.942 -1.115 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.579 -0.465 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.737 0.166 -4.635 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.302 -9.659 -5.376 1.00 0.00 N ATOM 1267 CA LYS A 80 -11.492 -10.745 -6.361 1.00 0.00 C ATOM 1268 C LYS A 80 -12.943 -11.244 -6.458 1.00 0.00 C ATOM 1269 O LYS A 80 -13.362 -11.715 -7.511 1.00 0.00 O ATOM 1270 CB LYS A 80 -10.461 -11.866 -6.123 1.00 0.00 C ATOM 1271 CG LYS A 80 -10.092 -12.615 -7.421 1.00 0.00 C ATOM 1272 CD LYS A 80 -10.697 -14.017 -7.588 1.00 0.00 C ATOM 1273 CE LYS A 80 -10.027 -15.013 -6.634 1.00 0.00 C ATOM 1274 NZ LYS A 80 -10.207 -16.413 -7.081 1.00 0.00 N ATOM 0 H LYS A 80 -10.900 -9.972 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.301 -10.331 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.559 -11.439 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.861 -12.576 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.402 -12.004 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.007 -12.702 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.769 -13.982 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.573 -14.352 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.963 -14.788 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.444 -14.895 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.740 -17.055 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.222 -16.636 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.786 -16.533 -8.024 1.00 0.00 H new ATOM 1288 N ARG A 81 -13.749 -11.042 -5.407 1.00 0.00 N ATOM 1289 CA ARG A 81 -15.202 -11.317 -5.367 1.00 0.00 C ATOM 1290 C ARG A 81 -16.000 -10.329 -6.205 1.00 0.00 C ATOM 1291 O ARG A 81 -17.019 -10.672 -6.793 1.00 0.00 O ATOM 1292 CB ARG A 81 -15.728 -11.298 -3.919 1.00 0.00 C ATOM 1293 CG ARG A 81 -15.034 -12.300 -2.985 1.00 0.00 C ATOM 1294 CD ARG A 81 -15.436 -12.060 -1.522 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.906 -13.122 -0.648 1.00 0.00 N ATOM 1296 CZ ARG A 81 -15.454 -14.306 -0.453 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -16.629 -14.629 -0.917 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -14.828 -15.225 0.214 1.00 0.00 N ATOM 0 H ARG A 81 -13.399 -10.668 -4.525 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.339 -12.311 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.605 -10.294 -3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.797 -11.509 -3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.298 -13.317 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.953 -12.210 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.061 -11.091 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.522 -12.025 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.038 -12.924 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.167 -13.952 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.010 -15.558 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.901 -15.036 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.263 -16.136 0.358 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.468 -9.122 -6.335 1.00 0.00 N ATOM 1313 CA GLU A 82 -15.958 -8.107 -7.276 1.00 0.00 C ATOM 1314 C GLU A 82 -15.729 -8.523 -8.744 1.00 0.00 C ATOM 1315 O GLU A 82 -16.464 -8.065 -9.625 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.304 -6.742 -7.001 1.00 0.00 C ATOM 1317 CG GLU A 82 -15.413 -6.267 -5.547 1.00 0.00 C ATOM 1318 CD GLU A 82 -14.988 -4.802 -5.383 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -14.038 -4.328 -6.056 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -15.638 -4.080 -4.585 1.00 0.00 O ATOM 0 H GLU A 82 -14.670 -8.809 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.033 -8.020 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.250 -6.796 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.763 -5.996 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.441 -6.386 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.790 -6.898 -4.913 1.00 0.00 H new ATOM 1327 N SER A 83 -14.763 -9.419 -8.999 1.00 0.00 N ATOM 1328 CA SER A 83 -14.467 -9.984 -10.331 1.00 0.00 C ATOM 1329 C SER A 83 -15.166 -11.328 -10.615 1.00 0.00 C ATOM 1330 O SER A 83 -15.278 -11.702 -11.787 1.00 0.00 O ATOM 1331 CB SER A 83 -12.952 -10.174 -10.529 1.00 0.00 C ATOM 1332 OG SER A 83 -12.234 -8.962 -10.391 1.00 0.00 O ATOM 0 H SER A 83 -14.150 -9.781 -8.269 1.00 0.00 H new ATOM 0 HA SER A 83 -14.862 -9.251 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.581 -10.898 -9.803 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.767 -10.592 -11.519 1.00 0.00 H new ATOM 0 HG SER A 83 -11.278 -9.131 -10.523 1.00 0.00 H new ATOM 1338 N VAL A 84 -15.612 -12.063 -9.582 1.00 0.00 N ATOM 1339 CA VAL A 84 -16.143 -13.440 -9.668 1.00 0.00 C ATOM 1340 C VAL A 84 -17.328 -13.640 -8.705 1.00 0.00 C ATOM 1341 O VAL A 84 -17.168 -13.639 -7.480 1.00 0.00 O ATOM 1342 CB VAL A 84 -15.040 -14.487 -9.374 1.00 0.00 C ATOM 1343 CG1 VAL A 84 -15.573 -15.917 -9.549 1.00 0.00 C ATOM 1344 CG2 VAL A 84 -13.822 -14.340 -10.297 1.00 0.00 C ATOM 0 H VAL A 84 -15.614 -11.704 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.496 -13.587 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.737 -14.306 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.777 -16.631 -9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.402 -16.083 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.918 -16.054 -10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.081 -15.099 -10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.134 -14.466 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.385 -13.350 -10.168 1.00 0.00 H new ATOM 1354 N GLY A 85 -18.515 -13.873 -9.267 1.00 0.00 N ATOM 1355 CA GLY A 85 -19.805 -13.953 -8.568 1.00 0.00 C ATOM 1356 C GLY A 85 -20.106 -15.261 -7.821 1.00 0.00 C ATOM 1357 O GLY A 85 -21.075 -15.295 -7.060 1.00 0.00 O ATOM 0 H GLY A 85 -18.611 -14.019 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -19.855 -13.133 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -20.598 -13.788 -9.297 1.00 0.00 H new ATOM 1361 N SER A 86 -19.296 -16.316 -7.975 1.00 0.00 N ATOM 1362 CA SER A 86 -19.372 -17.542 -7.151 1.00 0.00 C ATOM 1363 C SER A 86 -18.969 -17.279 -5.701 1.00 0.00 C ATOM 1364 O SER A 86 -19.724 -17.661 -4.780 1.00 0.00 O ATOM 1365 CB SER A 86 -18.494 -18.653 -7.729 1.00 0.00 C ATOM 1366 OG SER A 86 -18.825 -18.914 -9.079 1.00 0.00 O ATOM 1367 OXT SER A 86 -17.878 -16.701 -5.482 1.00 0.00 O ATOM 0 H SER A 86 -18.560 -16.349 -8.681 1.00 0.00 H new ATOM 0 HA SER A 86 -20.413 -17.864 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.445 -18.366 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 86 -18.617 -19.561 -7.139 1.00 0.00 H new ATOM 0 HG SER A 86 -18.248 -19.627 -9.425 1.00 0.00 H new TER 1373 SER A 86