USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 725 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 61 MET CE :methyl -133:sc= -0.362 (180deg=-1.15) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 179:sc= -0.359 (180deg=-0.358) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -2.03 (180deg=-5.05!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -52:sc= 0.412 USER MOD Single : A 12 TYR OH : rot 165:sc= -0.329 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -173:sc= -2.65 USER MOD Single : A 22 MET CE :methyl 136:sc= -4.91! (180deg=-7.12!) USER MOD Single : A 23 THR OG1 : rot -58:sc= 0.693 USER MOD Single : A 24 THR OG1 : rot -90:sc= -1.12 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.099 K(o=-0.099,f=-2.3) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0792 USER MOD Single : A 49 SER OG : rot 180:sc= -0.843 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 58 ASN : amide:sc= -1.75 K(o=-1.7,f=-3.9!) USER MOD Single : A 60 SER OG : rot 66:sc= 1.12 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.467 F(o=-2.4,f=-0.47) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.074) USER MOD Single : A 77 SER OG : rot -68:sc= 1.22 USER MOD Single : A 78 GLN : amide:sc= -0.48 K(o=-0.48,f=-3.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.867 K(o=-0.87,f=-5.9!) USER MOD Single : A 85 THR OG1 : rot -170:sc= -0.173 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.263 -15.854 4.286 1.00 0.00 N ATOM 2 CA MET A 1 -38.023 -15.528 5.045 1.00 0.00 C ATOM 3 C MET A 1 -36.824 -15.359 4.112 1.00 0.00 C ATOM 4 O MET A 1 -36.149 -14.329 4.140 1.00 0.00 O ATOM 5 CB MET A 1 -37.754 -16.646 6.058 1.00 0.00 C ATOM 6 CG MET A 1 -37.576 -16.146 7.482 1.00 0.00 C ATOM 7 SD MET A 1 -38.358 -17.221 8.701 1.00 0.00 S ATOM 8 CE MET A 1 -36.974 -18.251 9.184 1.00 0.00 C ATOM 0 H1 MET A 1 -40.065 -15.327 4.688 1.00 0.00 H new ATOM 0 H2 MET A 1 -39.139 -15.588 3.288 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.452 -16.875 4.352 1.00 0.00 H new ATOM 0 HA MET A 1 -38.167 -14.580 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -38.581 -17.356 6.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 -36.858 -17.189 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 -36.512 -16.066 7.704 1.00 0.00 H new ATOM 0 HG3 MET A 1 -37.996 -15.143 7.566 1.00 0.00 H new ATOM 0 HE1 MET A 1 -37.300 -18.970 9.936 1.00 0.00 H new ATOM 0 HE2 MET A 1 -36.596 -18.785 8.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 -36.183 -17.626 9.598 1.00 0.00 H new ATOM 20 N PRO A 2 -36.543 -16.369 3.271 1.00 0.00 N ATOM 21 CA PRO A 2 -35.421 -16.323 2.333 1.00 0.00 C ATOM 22 C PRO A 2 -35.755 -15.543 1.065 1.00 0.00 C ATOM 23 O PRO A 2 -35.640 -16.064 -0.045 1.00 0.00 O ATOM 24 CB PRO A 2 -35.189 -17.796 2.012 1.00 0.00 C ATOM 25 CG PRO A 2 -36.537 -18.422 2.124 1.00 0.00 C ATOM 26 CD PRO A 2 -37.292 -17.637 3.168 1.00 0.00 C ATOM 0 HA PRO A 2 -34.551 -15.816 2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.775 -17.923 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -34.483 -18.247 2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.058 -18.394 1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -36.455 -19.470 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -38.326 -17.467 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -37.319 -18.164 4.122 1.00 0.00 H new ATOM 34 N SER A 3 -36.171 -14.293 1.239 1.00 0.00 N ATOM 35 CA SER A 3 -36.521 -13.441 0.108 1.00 0.00 C ATOM 36 C SER A 3 -35.879 -12.064 0.243 1.00 0.00 C ATOM 37 O SER A 3 -36.170 -11.321 1.180 1.00 0.00 O ATOM 38 CB SER A 3 -38.042 -13.300 0.002 1.00 0.00 C ATOM 39 OG SER A 3 -38.428 -12.902 -1.302 1.00 0.00 O ATOM 0 H SER A 3 -36.274 -13.848 2.151 1.00 0.00 H new ATOM 0 HA SER A 3 -36.141 -13.910 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.516 -14.249 0.251 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.394 -12.567 0.728 1.00 0.00 H new ATOM 0 HG SER A 3 -39.404 -12.821 -1.344 1.00 0.00 H new ATOM 45 N ASP A 4 -35.003 -11.731 -0.701 1.00 0.00 N ATOM 46 CA ASP A 4 -34.318 -10.443 -0.688 1.00 0.00 C ATOM 47 C ASP A 4 -34.733 -9.595 -1.887 1.00 0.00 C ATOM 48 O ASP A 4 -35.568 -10.007 -2.692 1.00 0.00 O ATOM 49 CB ASP A 4 -32.803 -10.647 -0.692 1.00 0.00 C ATOM 50 CG ASP A 4 -32.261 -10.978 0.684 1.00 0.00 C ATOM 51 OD1 ASP A 4 -32.644 -12.032 1.236 1.00 0.00 O ATOM 52 OD2 ASP A 4 -31.453 -10.184 1.210 1.00 0.00 O ATOM 0 H ASP A 4 -34.751 -12.335 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 4 -34.603 -9.917 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -32.549 -11.451 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -32.318 -9.744 -1.063 1.00 0.00 H new ATOM 57 N SER A 5 -34.143 -8.410 -2.000 1.00 0.00 N ATOM 58 CA SER A 5 -34.450 -7.504 -3.099 1.00 0.00 C ATOM 59 C SER A 5 -33.358 -7.548 -4.162 1.00 0.00 C ATOM 60 O SER A 5 -33.635 -7.738 -5.346 1.00 0.00 O ATOM 61 CB SER A 5 -34.616 -6.074 -2.580 1.00 0.00 C ATOM 62 OG SER A 5 -35.958 -5.822 -2.201 1.00 0.00 O ATOM 0 H SER A 5 -33.449 -8.055 -1.343 1.00 0.00 H new ATOM 0 HA SER A 5 -35.387 -7.829 -3.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.958 -5.915 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.314 -5.366 -3.352 1.00 0.00 H new ATOM 0 HG SER A 5 -36.038 -4.903 -1.871 1.00 0.00 H new ATOM 68 N LYS A 6 -32.113 -7.372 -3.731 1.00 0.00 N ATOM 69 CA LYS A 6 -30.977 -7.391 -4.646 1.00 0.00 C ATOM 70 C LYS A 6 -29.757 -8.030 -3.991 1.00 0.00 C ATOM 71 O LYS A 6 -29.749 -8.285 -2.786 1.00 0.00 O ATOM 72 CB LYS A 6 -30.640 -5.970 -5.101 1.00 0.00 C ATOM 73 CG LYS A 6 -31.280 -5.585 -6.425 1.00 0.00 C ATOM 74 CD LYS A 6 -30.484 -4.503 -7.138 1.00 0.00 C ATOM 75 CE LYS A 6 -30.215 -4.871 -8.589 1.00 0.00 C ATOM 76 NZ LYS A 6 -29.107 -5.859 -8.714 1.00 0.00 N ATOM 0 H LYS A 6 -31.865 -7.215 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 6 -31.253 -7.989 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -30.962 -5.266 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -29.558 -5.873 -5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -31.353 -6.465 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -32.297 -5.234 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -31.031 -3.561 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -29.538 -4.346 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -31.121 -5.283 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -29.965 -3.972 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -28.954 -6.084 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -28.236 -5.456 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.356 -6.727 -8.199 1.00 0.00 H new ATOM 90 N LYS A 7 -28.728 -8.285 -4.792 1.00 0.00 N ATOM 91 CA LYS A 7 -27.500 -8.892 -4.291 1.00 0.00 C ATOM 92 C LYS A 7 -26.318 -7.941 -4.461 1.00 0.00 C ATOM 93 O LYS A 7 -26.334 -7.069 -5.331 1.00 0.00 O ATOM 94 CB LYS A 7 -27.223 -10.208 -5.023 1.00 0.00 C ATOM 95 CG LYS A 7 -26.955 -10.033 -6.509 1.00 0.00 C ATOM 96 CD LYS A 7 -26.523 -11.341 -7.154 1.00 0.00 C ATOM 97 CE LYS A 7 -25.013 -11.517 -7.103 1.00 0.00 C ATOM 98 NZ LYS A 7 -24.627 -12.874 -6.629 1.00 0.00 N ATOM 0 H LYS A 7 -28.720 -8.081 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 7 -27.629 -9.097 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -26.364 -10.696 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -28.076 -10.873 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -27.854 -9.663 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.180 -9.281 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.005 -12.175 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -26.858 -11.364 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.594 -11.346 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -24.582 -10.765 -6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.590 -12.953 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -25.005 -13.028 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.016 -13.591 -7.274 1.00 0.00 H new ATOM 112 N PRO A 8 -25.273 -8.095 -3.630 1.00 0.00 N ATOM 113 CA PRO A 8 -24.081 -7.242 -3.696 1.00 0.00 C ATOM 114 C PRO A 8 -23.362 -7.356 -5.036 1.00 0.00 C ATOM 115 O PRO A 8 -22.837 -6.372 -5.553 1.00 0.00 O ATOM 116 CB PRO A 8 -23.191 -7.769 -2.563 1.00 0.00 C ATOM 117 CG PRO A 8 -23.696 -9.143 -2.279 1.00 0.00 C ATOM 118 CD PRO A 8 -25.168 -9.107 -2.567 1.00 0.00 C ATOM 0 HA PRO A 8 -24.334 -6.186 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.143 -7.788 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -23.259 -7.134 -1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -23.193 -9.881 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -23.507 -9.422 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.539 -10.078 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.745 -8.828 -1.685 1.00 0.00 H new ATOM 126 N THR A 9 -23.341 -8.568 -5.588 1.00 0.00 N ATOM 127 CA THR A 9 -22.687 -8.827 -6.871 1.00 0.00 C ATOM 128 C THR A 9 -21.288 -8.218 -6.912 1.00 0.00 C ATOM 129 O THR A 9 -20.909 -7.568 -7.887 1.00 0.00 O ATOM 130 CB THR A 9 -23.537 -8.292 -8.028 1.00 0.00 C ATOM 131 OG1 THR A 9 -22.985 -8.678 -9.273 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.676 -6.785 -8.036 1.00 0.00 C ATOM 0 H THR A 9 -23.771 -9.390 -5.165 1.00 0.00 H new ATOM 0 HA THR A 9 -22.588 -9.907 -6.982 1.00 0.00 H new ATOM 0 HB THR A 9 -24.526 -8.725 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.037 -8.431 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.291 -6.481 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.148 -6.458 -7.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.690 -6.329 -8.121 1.00 0.00 H new ATOM 140 N ILE A 10 -20.526 -8.440 -5.847 1.00 0.00 N ATOM 141 CA ILE A 10 -19.166 -7.923 -5.752 1.00 0.00 C ATOM 142 C ILE A 10 -18.151 -9.058 -5.818 1.00 0.00 C ATOM 143 O ILE A 10 -17.856 -9.700 -4.811 1.00 0.00 O ATOM 144 CB ILE A 10 -18.961 -7.126 -4.446 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.842 -5.876 -4.444 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.494 -6.749 -4.264 1.00 0.00 C ATOM 147 CD1 ILE A 10 -19.388 -4.813 -5.422 1.00 0.00 C ATOM 0 H ILE A 10 -20.829 -8.977 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.012 -7.254 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.253 -7.759 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.866 -6.163 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.855 -5.452 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.375 -6.188 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.888 -7.654 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.169 -6.135 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.059 -3.956 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.375 -4.497 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.402 -5.219 -6.433 1.00 0.00 H new ATOM 159 N ILE A 11 -17.620 -9.295 -7.010 1.00 0.00 N ATOM 160 CA ILE A 11 -16.636 -10.350 -7.206 1.00 0.00 C ATOM 161 C ILE A 11 -15.582 -9.938 -8.227 1.00 0.00 C ATOM 162 O ILE A 11 -15.803 -10.027 -9.435 1.00 0.00 O ATOM 163 CB ILE A 11 -17.305 -11.655 -7.678 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.545 -11.954 -6.831 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.316 -12.809 -7.616 1.00 0.00 C ATOM 166 CD1 ILE A 11 -18.226 -12.353 -5.405 1.00 0.00 C ATOM 0 H ILE A 11 -17.854 -8.772 -7.854 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.156 -10.519 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.621 -11.532 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.186 -11.073 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.113 -12.755 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.803 -13.724 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.464 -12.593 -8.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.971 -12.938 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.153 -12.549 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.611 -13.253 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.685 -11.545 -4.913 1.00 0.00 H new ATOM 178 N TYR A 12 -14.434 -9.497 -7.731 1.00 0.00 N ATOM 179 CA TYR A 12 -13.333 -9.083 -8.596 1.00 0.00 C ATOM 180 C TYR A 12 -11.992 -9.506 -8.006 1.00 0.00 C ATOM 181 O TYR A 12 -11.374 -8.760 -7.247 1.00 0.00 O ATOM 182 CB TYR A 12 -13.353 -7.564 -8.815 1.00 0.00 C ATOM 183 CG TYR A 12 -13.927 -6.774 -7.658 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.201 -6.585 -6.487 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.196 -6.216 -7.739 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.723 -5.860 -5.432 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.725 -5.490 -6.689 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.985 -5.316 -5.538 1.00 0.00 C ATOM 189 OH TYR A 12 -15.508 -4.592 -4.491 1.00 0.00 O ATOM 0 H TYR A 12 -14.239 -9.416 -6.733 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.462 -9.577 -9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.335 -7.223 -9.003 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.933 -7.346 -9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.213 -7.012 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.779 -6.352 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.145 -5.721 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.713 -5.061 -6.769 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.285 -4.082 -4.802 1.00 0.00 H new ATOM 199 N PRO A 13 -11.521 -10.717 -8.343 1.00 0.00 N ATOM 200 CA PRO A 13 -10.257 -11.238 -7.841 1.00 0.00 C ATOM 201 C PRO A 13 -9.076 -10.867 -8.731 1.00 0.00 C ATOM 202 O PRO A 13 -8.475 -11.728 -9.376 1.00 0.00 O ATOM 203 CB PRO A 13 -10.501 -12.740 -7.863 1.00 0.00 C ATOM 204 CG PRO A 13 -11.379 -12.955 -9.054 1.00 0.00 C ATOM 205 CD PRO A 13 -12.188 -11.687 -9.232 1.00 0.00 C ATOM 0 HA PRO A 13 -9.994 -10.837 -6.862 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.566 -13.293 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.984 -13.078 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.782 -13.161 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.033 -13.814 -8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.181 -11.350 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.231 -11.835 -8.952 1.00 0.00 H new ATOM 213 N CYS A 14 -8.745 -9.580 -8.761 1.00 0.00 N ATOM 214 CA CYS A 14 -7.633 -9.095 -9.571 1.00 0.00 C ATOM 215 C CYS A 14 -6.889 -7.971 -8.858 1.00 0.00 C ATOM 216 O CYS A 14 -7.403 -7.373 -7.912 1.00 0.00 O ATOM 217 CB CYS A 14 -8.140 -8.607 -10.929 1.00 0.00 C ATOM 218 SG CYS A 14 -7.143 -9.166 -12.332 1.00 0.00 S ATOM 0 H CYS A 14 -9.231 -8.854 -8.234 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.940 -9.922 -9.725 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.166 -8.949 -11.066 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.165 -7.517 -10.926 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.651 -8.705 -13.436 1.00 0.00 H new ATOM 224 N LEU A 15 -5.676 -7.686 -9.321 1.00 0.00 N ATOM 225 CA LEU A 15 -4.862 -6.631 -8.730 1.00 0.00 C ATOM 226 C LEU A 15 -5.448 -5.256 -9.039 1.00 0.00 C ATOM 227 O LEU A 15 -5.585 -4.877 -10.202 1.00 0.00 O ATOM 228 CB LEU A 15 -3.424 -6.718 -9.248 1.00 0.00 C ATOM 229 CG LEU A 15 -2.371 -7.041 -8.186 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.258 -7.893 -8.777 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.805 -5.761 -7.590 1.00 0.00 C ATOM 0 H LEU A 15 -5.236 -8.171 -10.103 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.859 -6.768 -7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.380 -7.481 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.165 -5.769 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.850 -7.609 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.519 -8.112 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.676 -8.826 -9.155 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.781 -7.352 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.058 -6.010 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.342 -5.166 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.609 -5.188 -7.128 1.00 0.00 H new ATOM 243 N TRP A 16 -5.794 -4.518 -7.991 1.00 0.00 N ATOM 244 CA TRP A 16 -6.368 -3.187 -8.150 1.00 0.00 C ATOM 245 C TRP A 16 -5.448 -2.124 -7.558 1.00 0.00 C ATOM 246 O TRP A 16 -4.847 -2.326 -6.503 1.00 0.00 O ATOM 247 CB TRP A 16 -7.742 -3.119 -7.482 1.00 0.00 C ATOM 248 CG TRP A 16 -8.516 -1.886 -7.836 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.679 -0.771 -7.065 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.236 -1.644 -9.051 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.455 0.150 -7.727 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.809 -0.362 -8.948 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.450 -2.385 -10.217 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.582 0.191 -9.966 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -10.217 -1.834 -11.225 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.774 -0.555 -11.095 1.00 0.00 C ATOM 0 H TRP A 16 -5.687 -4.818 -7.022 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.480 -2.991 -9.216 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.321 -3.997 -7.769 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.614 -3.161 -6.400 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.260 -0.633 -6.079 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.724 1.066 -7.368 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -9.023 -3.371 -10.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.015 1.175 -9.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.390 -2.399 -12.129 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.366 -0.151 -11.902 1.00 0.00 H new ATOM 267 N ASP A 17 -5.345 -0.992 -8.246 1.00 0.00 N ATOM 268 CA ASP A 17 -4.501 0.107 -7.788 1.00 0.00 C ATOM 269 C ASP A 17 -5.277 1.028 -6.851 1.00 0.00 C ATOM 270 O ASP A 17 -6.497 1.155 -6.963 1.00 0.00 O ATOM 271 CB ASP A 17 -3.969 0.901 -8.985 1.00 0.00 C ATOM 272 CG ASP A 17 -2.476 0.721 -9.178 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.032 -0.436 -9.334 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.750 1.737 -9.175 1.00 0.00 O ATOM 0 H ASP A 17 -5.835 -0.811 -9.122 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.658 -0.313 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.490 0.585 -9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.190 1.959 -8.843 1.00 0.00 H new ATOM 279 N TYR A 18 -4.564 1.668 -5.931 1.00 0.00 N ATOM 280 CA TYR A 18 -5.194 2.574 -4.977 1.00 0.00 C ATOM 281 C TYR A 18 -4.454 3.906 -4.918 1.00 0.00 C ATOM 282 O TYR A 18 -3.388 4.009 -4.309 1.00 0.00 O ATOM 283 CB TYR A 18 -5.238 1.934 -3.589 1.00 0.00 C ATOM 284 CG TYR A 18 -6.164 0.742 -3.503 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.543 0.904 -3.556 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.660 -0.547 -3.368 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.393 -0.182 -3.479 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.504 -1.639 -3.290 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.869 -1.451 -3.345 1.00 0.00 C ATOM 290 OH TYR A 18 -8.712 -2.536 -3.268 1.00 0.00 O ATOM 0 H TYR A 18 -3.554 1.577 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.213 2.765 -5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.232 1.623 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.554 2.683 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.957 1.896 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.591 -0.697 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.462 -0.038 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.097 -2.634 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.191 -3.341 -3.065 1.00 0.00 H new ATOM 300 N ARG A 19 -5.026 4.923 -5.553 1.00 0.00 N ATOM 301 CA ARG A 19 -4.424 6.252 -5.572 1.00 0.00 C ATOM 302 C ARG A 19 -4.522 6.907 -4.198 1.00 0.00 C ATOM 303 O ARG A 19 -5.589 7.373 -3.796 1.00 0.00 O ATOM 304 CB ARG A 19 -5.112 7.128 -6.620 1.00 0.00 C ATOM 305 CG ARG A 19 -4.490 8.507 -6.762 1.00 0.00 C ATOM 306 CD ARG A 19 -3.412 8.524 -7.833 1.00 0.00 C ATOM 307 NE ARG A 19 -3.910 9.055 -9.100 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.313 8.858 -10.273 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.196 8.144 -10.344 1.00 0.00 N ATOM 310 NH2 ARG A 19 -3.834 9.376 -11.377 1.00 0.00 N ATOM 0 H ARG A 19 -5.907 4.853 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.371 6.148 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.077 6.622 -7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.164 7.238 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.264 9.232 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.061 8.814 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.571 9.128 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.037 7.512 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.766 9.610 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.792 7.744 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.742 7.996 -11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.692 9.925 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.377 9.225 -12.276 1.00 0.00 H new ATOM 324 N VAL A 20 -3.405 6.933 -3.480 1.00 0.00 N ATOM 325 CA VAL A 20 -3.369 7.523 -2.146 1.00 0.00 C ATOM 326 C VAL A 20 -2.344 8.649 -2.060 1.00 0.00 C ATOM 327 O VAL A 20 -1.152 8.435 -2.285 1.00 0.00 O ATOM 328 CB VAL A 20 -3.034 6.468 -1.077 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.191 7.050 0.319 1.00 0.00 C ATOM 330 CG2 VAL A 20 -3.910 5.235 -1.252 1.00 0.00 C ATOM 0 H VAL A 20 -2.513 6.553 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.364 7.927 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.994 6.168 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.950 6.288 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.517 7.898 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.220 7.382 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.660 4.499 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.958 5.517 -1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.740 4.805 -2.239 1.00 0.00 H new ATOM 340 N ILE A 21 -2.812 9.848 -1.725 1.00 0.00 N ATOM 341 CA ILE A 21 -1.932 11.004 -1.598 1.00 0.00 C ATOM 342 C ILE A 21 -1.907 11.508 -0.160 1.00 0.00 C ATOM 343 O ILE A 21 -2.943 11.571 0.502 1.00 0.00 O ATOM 344 CB ILE A 21 -2.364 12.164 -2.518 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.829 11.656 -3.892 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.228 13.164 -2.673 1.00 0.00 C ATOM 347 CD1 ILE A 21 -1.988 10.534 -4.472 1.00 0.00 C ATOM 0 H ILE A 21 -3.795 10.044 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.938 10.671 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.213 12.663 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.860 11.312 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.828 12.491 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.546 13.978 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.961 13.565 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.362 12.666 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.391 10.241 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.960 10.876 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.008 9.678 -3.797 1.00 0.00 H new ATOM 359 N MET A 22 -0.720 11.864 0.321 1.00 0.00 N ATOM 360 CA MET A 22 -0.566 12.358 1.678 1.00 0.00 C ATOM 361 C MET A 22 0.004 13.768 1.677 1.00 0.00 C ATOM 362 O MET A 22 0.720 14.162 0.756 1.00 0.00 O ATOM 363 CB MET A 22 0.354 11.434 2.482 1.00 0.00 C ATOM 364 CG MET A 22 0.464 10.024 1.919 1.00 0.00 C ATOM 365 SD MET A 22 1.776 9.869 0.691 1.00 0.00 S ATOM 366 CE MET A 22 2.290 8.174 0.954 1.00 0.00 C ATOM 0 H MET A 22 0.148 11.818 -0.212 1.00 0.00 H new ATOM 0 HA MET A 22 -1.552 12.376 2.143 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.349 11.876 2.523 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.012 11.377 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.650 9.325 2.734 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.487 9.742 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.423 7.681 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.232 8.160 1.502 1.00 0.00 H new ATOM 0 HE3 MET A 22 1.528 7.648 1.529 1.00 0.00 H new ATOM 376 N THR A 23 -0.307 14.518 2.722 1.00 0.00 N ATOM 377 CA THR A 23 0.186 15.881 2.854 1.00 0.00 C ATOM 378 C THR A 23 0.778 16.096 4.239 1.00 0.00 C ATOM 379 O THR A 23 0.224 16.825 5.060 1.00 0.00 O ATOM 380 CB THR A 23 -0.937 16.887 2.598 1.00 0.00 C ATOM 381 OG1 THR A 23 -0.533 18.194 2.965 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.209 16.570 3.354 1.00 0.00 C ATOM 0 H THR A 23 -0.899 14.206 3.492 1.00 0.00 H new ATOM 0 HA THR A 23 0.967 16.038 2.110 1.00 0.00 H new ATOM 0 HB THR A 23 -1.144 16.823 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.280 18.204 3.912 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.964 17.323 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.575 15.588 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.006 16.571 4.425 1.00 0.00 H new ATOM 390 N THR A 24 1.911 15.448 4.489 1.00 0.00 N ATOM 391 CA THR A 24 2.585 15.562 5.779 1.00 0.00 C ATOM 392 C THR A 24 4.100 15.547 5.611 1.00 0.00 C ATOM 393 O THR A 24 4.626 14.945 4.674 1.00 0.00 O ATOM 394 CB THR A 24 2.153 14.426 6.706 1.00 0.00 C ATOM 395 OG1 THR A 24 0.914 13.878 6.287 1.00 0.00 O ATOM 396 CG2 THR A 24 1.997 14.858 8.149 1.00 0.00 C ATOM 0 H THR A 24 2.381 14.840 3.818 1.00 0.00 H new ATOM 0 HA THR A 24 2.299 16.515 6.223 1.00 0.00 H new ATOM 0 HB THR A 24 2.952 13.687 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.180 14.357 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.689 14.005 8.753 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.948 15.240 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.241 15.641 8.215 1.00 0.00 H new ATOM 404 N LYS A 25 4.798 16.213 6.527 1.00 0.00 N ATOM 405 CA LYS A 25 6.254 16.275 6.484 1.00 0.00 C ATOM 406 C LYS A 25 6.869 15.248 7.431 1.00 0.00 C ATOM 407 O LYS A 25 7.988 15.426 7.913 1.00 0.00 O ATOM 408 CB LYS A 25 6.735 17.679 6.856 1.00 0.00 C ATOM 409 CG LYS A 25 6.305 18.122 8.244 1.00 0.00 C ATOM 410 CD LYS A 25 7.246 19.172 8.811 1.00 0.00 C ATOM 411 CE LYS A 25 6.636 19.876 10.011 1.00 0.00 C ATOM 412 NZ LYS A 25 7.659 20.207 11.041 1.00 0.00 N ATOM 0 H LYS A 25 4.378 16.717 7.308 1.00 0.00 H new ATOM 0 HA LYS A 25 6.574 16.045 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.823 17.709 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.355 18.390 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.293 18.524 8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.277 17.259 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.185 18.701 9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.483 19.905 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.142 20.791 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.868 19.241 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.202 20.686 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.113 19.332 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.378 20.834 10.627 1.00 0.00 H new ATOM 426 N ASP A 26 6.132 14.172 7.692 1.00 0.00 N ATOM 427 CA ASP A 26 6.605 13.116 8.580 1.00 0.00 C ATOM 428 C ASP A 26 6.244 11.744 8.024 1.00 0.00 C ATOM 429 O ASP A 26 5.858 10.841 8.767 1.00 0.00 O ATOM 430 CB ASP A 26 6.006 13.288 9.977 1.00 0.00 C ATOM 431 CG ASP A 26 6.984 12.918 11.074 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.100 13.481 11.091 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.636 12.065 11.918 1.00 0.00 O ATOM 0 H ASP A 26 5.204 14.009 7.301 1.00 0.00 H new ATOM 0 HA ASP A 26 7.690 13.189 8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.690 14.323 10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.113 12.669 10.066 1.00 0.00 H new ATOM 438 N THR A 27 6.370 11.594 6.710 1.00 0.00 N ATOM 439 CA THR A 27 6.056 10.334 6.049 1.00 0.00 C ATOM 440 C THR A 27 7.157 9.296 6.271 1.00 0.00 C ATOM 441 O THR A 27 7.019 8.141 5.867 1.00 0.00 O ATOM 442 CB THR A 27 5.849 10.560 4.551 1.00 0.00 C ATOM 443 OG1 THR A 27 7.053 10.983 3.935 1.00 0.00 O ATOM 444 CG2 THR A 27 4.789 11.595 4.244 1.00 0.00 C ATOM 0 H THR A 27 6.688 12.331 6.081 1.00 0.00 H new ATOM 0 HA THR A 27 5.135 9.950 6.487 1.00 0.00 H new ATOM 0 HB THR A 27 5.521 9.598 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.900 11.120 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.692 11.707 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.835 11.274 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.075 12.550 4.684 1.00 0.00 H new ATOM 452 N SER A 28 8.250 9.707 6.915 1.00 0.00 N ATOM 453 CA SER A 28 9.364 8.802 7.184 1.00 0.00 C ATOM 454 C SER A 28 8.880 7.527 7.869 1.00 0.00 C ATOM 455 O SER A 28 9.505 6.473 7.753 1.00 0.00 O ATOM 456 CB SER A 28 10.414 9.497 8.055 1.00 0.00 C ATOM 457 OG SER A 28 11.389 10.145 7.256 1.00 0.00 O ATOM 0 H SER A 28 8.386 10.658 7.258 1.00 0.00 H new ATOM 0 HA SER A 28 9.815 8.529 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.928 10.225 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.897 8.765 8.702 1.00 0.00 H new ATOM 0 HG SER A 28 12.048 10.583 7.835 1.00 0.00 H new ATOM 463 N THR A 29 7.761 7.630 8.579 1.00 0.00 N ATOM 464 CA THR A 29 7.191 6.483 9.274 1.00 0.00 C ATOM 465 C THR A 29 6.393 5.614 8.308 1.00 0.00 C ATOM 466 O THR A 29 6.310 4.397 8.473 1.00 0.00 O ATOM 467 CB THR A 29 6.294 6.948 10.424 1.00 0.00 C ATOM 468 OG1 THR A 29 5.770 5.839 11.131 1.00 0.00 O ATOM 469 CG2 THR A 29 5.126 7.795 9.965 1.00 0.00 C ATOM 0 H THR A 29 7.232 8.495 8.688 1.00 0.00 H new ATOM 0 HA THR A 29 8.009 5.890 9.683 1.00 0.00 H new ATOM 0 HB THR A 29 6.934 7.556 11.063 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.201 6.157 11.863 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.530 8.092 10.828 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.499 8.685 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.507 7.219 9.277 1.00 0.00 H new ATOM 477 N LEU A 30 5.810 6.251 7.296 1.00 0.00 N ATOM 478 CA LEU A 30 5.022 5.541 6.298 1.00 0.00 C ATOM 479 C LEU A 30 5.921 4.937 5.225 1.00 0.00 C ATOM 480 O LEU A 30 5.711 3.804 4.792 1.00 0.00 O ATOM 481 CB LEU A 30 4.003 6.485 5.655 1.00 0.00 C ATOM 482 CG LEU A 30 2.971 5.807 4.753 1.00 0.00 C ATOM 483 CD1 LEU A 30 1.824 5.248 5.580 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.451 6.787 3.712 1.00 0.00 C ATOM 0 H LEU A 30 5.870 7.258 7.147 1.00 0.00 H new ATOM 0 HA LEU A 30 4.491 4.732 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.476 7.020 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.541 7.231 5.069 1.00 0.00 H new ATOM 0 HG LEU A 30 3.456 4.979 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.100 4.769 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.210 4.515 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.339 6.058 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.717 6.289 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.982 7.635 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.280 7.141 3.099 1.00 0.00 H new ATOM 496 N LYS A 31 6.923 5.700 4.799 1.00 0.00 N ATOM 497 CA LYS A 31 7.854 5.234 3.774 1.00 0.00 C ATOM 498 C LYS A 31 8.530 3.937 4.207 1.00 0.00 C ATOM 499 O LYS A 31 8.881 3.100 3.374 1.00 0.00 O ATOM 500 CB LYS A 31 8.906 6.307 3.480 1.00 0.00 C ATOM 501 CG LYS A 31 9.895 6.523 4.614 1.00 0.00 C ATOM 502 CD LYS A 31 11.088 5.588 4.499 1.00 0.00 C ATOM 503 CE LYS A 31 12.313 6.160 5.193 1.00 0.00 C ATOM 504 NZ LYS A 31 13.348 5.116 5.444 1.00 0.00 N ATOM 0 H LYS A 31 7.112 6.641 5.146 1.00 0.00 H new ATOM 0 HA LYS A 31 7.288 5.039 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.454 6.028 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.401 7.249 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.240 7.557 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.396 6.361 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.838 4.622 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.313 5.412 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.740 6.954 4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.016 6.612 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.167 5.546 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.949 4.370 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.650 4.702 4.539 1.00 0.00 H new ATOM 518 N GLU A 32 8.707 3.775 5.515 1.00 0.00 N ATOM 519 CA GLU A 32 9.337 2.578 6.059 1.00 0.00 C ATOM 520 C GLU A 32 8.311 1.466 6.251 1.00 0.00 C ATOM 521 O GLU A 32 8.632 0.284 6.142 1.00 0.00 O ATOM 522 CB GLU A 32 10.017 2.897 7.392 1.00 0.00 C ATOM 523 CG GLU A 32 9.053 3.362 8.472 1.00 0.00 C ATOM 524 CD GLU A 32 9.697 3.422 9.843 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.652 2.655 10.085 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.245 4.237 10.675 1.00 0.00 O ATOM 0 H GLU A 32 8.423 4.458 6.217 1.00 0.00 H new ATOM 0 HA GLU A 32 10.089 2.236 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.542 2.009 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.769 3.670 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.670 4.349 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.198 2.687 8.506 1.00 0.00 H new ATOM 533 N LEU A 33 7.074 1.856 6.540 1.00 0.00 N ATOM 534 CA LEU A 33 5.997 0.897 6.749 1.00 0.00 C ATOM 535 C LEU A 33 5.503 0.334 5.418 1.00 0.00 C ATOM 536 O LEU A 33 5.008 -0.790 5.354 1.00 0.00 O ATOM 537 CB LEU A 33 4.839 1.555 7.504 1.00 0.00 C ATOM 538 CG LEU A 33 4.687 1.117 8.963 1.00 0.00 C ATOM 539 CD1 LEU A 33 4.397 -0.373 9.045 1.00 0.00 C ATOM 540 CD2 LEU A 33 5.938 1.461 9.755 1.00 0.00 C ATOM 0 H LEU A 33 6.793 2.832 6.635 1.00 0.00 H new ATOM 0 HA LEU A 33 6.387 0.073 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.975 2.636 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.910 1.337 6.976 1.00 0.00 H new ATOM 0 HG LEU A 33 3.845 1.655 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.292 -0.666 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.472 -0.594 8.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.218 -0.929 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.812 1.143 10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.796 0.950 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.103 2.538 9.724 1.00 0.00 H new ATOM 552 N LEU A 34 5.639 1.125 4.358 1.00 0.00 N ATOM 553 CA LEU A 34 5.207 0.705 3.030 1.00 0.00 C ATOM 554 C LEU A 34 6.318 -0.052 2.309 1.00 0.00 C ATOM 555 O LEU A 34 6.058 -1.007 1.578 1.00 0.00 O ATOM 556 CB LEU A 34 4.779 1.919 2.202 1.00 0.00 C ATOM 557 CG LEU A 34 3.620 2.725 2.786 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.369 3.978 1.961 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.362 1.871 2.855 1.00 0.00 C ATOM 0 H LEU A 34 6.045 2.060 4.393 1.00 0.00 H new ATOM 0 HA LEU A 34 4.355 0.036 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.638 2.580 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.499 1.579 1.205 1.00 0.00 H new ATOM 0 HG LEU A 34 3.888 3.030 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.540 4.538 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.265 4.599 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.122 3.696 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.545 2.459 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.093 1.538 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.546 1.003 3.489 1.00 0.00 H new ATOM 571 N GLU A 35 7.556 0.380 2.523 1.00 0.00 N ATOM 572 CA GLU A 35 8.707 -0.257 1.893 1.00 0.00 C ATOM 573 C GLU A 35 9.043 -1.588 2.565 1.00 0.00 C ATOM 574 O GLU A 35 9.898 -2.333 2.088 1.00 0.00 O ATOM 575 CB GLU A 35 9.921 0.673 1.947 1.00 0.00 C ATOM 576 CG GLU A 35 9.856 1.816 0.946 1.00 0.00 C ATOM 577 CD GLU A 35 11.143 2.618 0.894 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.927 2.545 1.863 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.364 3.319 -0.115 1.00 0.00 O ATOM 0 H GLU A 35 7.788 1.168 3.127 1.00 0.00 H new ATOM 0 HA GLU A 35 8.450 -0.456 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.008 1.086 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.823 0.090 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.641 1.415 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.030 2.477 1.208 1.00 0.00 H new ATOM 586 N THR A 36 8.367 -1.884 3.675 1.00 0.00 N ATOM 587 CA THR A 36 8.603 -3.127 4.402 1.00 0.00 C ATOM 588 C THR A 36 8.343 -4.335 3.509 1.00 0.00 C ATOM 589 O THR A 36 9.050 -5.341 3.587 1.00 0.00 O ATOM 590 CB THR A 36 7.710 -3.192 5.644 1.00 0.00 C ATOM 591 OG1 THR A 36 8.022 -4.331 6.425 1.00 0.00 O ATOM 592 CG2 THR A 36 6.233 -3.249 5.318 1.00 0.00 C ATOM 0 H THR A 36 7.655 -1.282 4.088 1.00 0.00 H new ATOM 0 HA THR A 36 9.647 -3.146 4.713 1.00 0.00 H new ATOM 0 HB THR A 36 7.908 -2.270 6.191 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.442 -4.355 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.658 -3.294 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.950 -2.359 4.757 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.027 -4.136 4.719 1.00 0.00 H new ATOM 600 N TYR A 37 7.326 -4.231 2.661 1.00 0.00 N ATOM 601 CA TYR A 37 6.973 -5.313 1.752 1.00 0.00 C ATOM 602 C TYR A 37 6.621 -6.582 2.524 1.00 0.00 C ATOM 603 O TYR A 37 7.101 -7.670 2.204 1.00 0.00 O ATOM 604 CB TYR A 37 8.127 -5.588 0.788 1.00 0.00 C ATOM 605 CG TYR A 37 8.506 -4.396 -0.061 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.532 -3.589 -0.634 1.00 0.00 C ATOM 607 CD2 TYR A 37 9.840 -4.077 -0.289 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.875 -2.498 -1.412 1.00 0.00 C ATOM 609 CE2 TYR A 37 10.190 -2.988 -1.065 1.00 0.00 C ATOM 610 CZ TYR A 37 9.205 -2.203 -1.623 1.00 0.00 C ATOM 611 OH TYR A 37 9.550 -1.117 -2.395 1.00 0.00 O ATOM 0 H TYR A 37 6.731 -3.406 2.585 1.00 0.00 H new ATOM 0 HA TYR A 37 6.096 -5.006 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.998 -5.907 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.853 -6.416 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.489 -3.817 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.615 -4.690 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.105 -1.881 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.231 -2.754 -1.233 1.00 0.00 H new ATOM 0 HH TYR A 37 10.526 -1.047 -2.444 1.00 0.00 H new ATOM 621 N GLN A 38 5.778 -6.437 3.541 1.00 0.00 N ATOM 622 CA GLN A 38 5.361 -7.572 4.358 1.00 0.00 C ATOM 623 C GLN A 38 4.628 -8.608 3.512 1.00 0.00 C ATOM 624 O GLN A 38 5.050 -9.760 3.421 1.00 0.00 O ATOM 625 CB GLN A 38 4.461 -7.100 5.502 1.00 0.00 C ATOM 626 CG GLN A 38 5.215 -6.822 6.793 1.00 0.00 C ATOM 627 CD GLN A 38 4.302 -6.788 8.003 1.00 0.00 C ATOM 628 OE1 GLN A 38 3.150 -6.363 7.916 1.00 0.00 O ATOM 629 NE2 GLN A 38 4.816 -7.236 9.143 1.00 0.00 N ATOM 0 H GLN A 38 5.370 -5.545 3.820 1.00 0.00 H new ATOM 0 HA GLN A 38 6.254 -8.036 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.939 -6.194 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.700 -7.857 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.976 -7.589 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.736 -5.868 6.708 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.776 -7.579 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.251 -7.237 9.992 1.00 0.00 H new ATOM 638 N ARG A 39 3.531 -8.187 2.892 1.00 0.00 N ATOM 639 CA ARG A 39 2.738 -9.077 2.049 1.00 0.00 C ATOM 640 C ARG A 39 2.914 -8.716 0.574 1.00 0.00 C ATOM 641 O ARG A 39 3.512 -7.692 0.248 1.00 0.00 O ATOM 642 CB ARG A 39 1.256 -9.012 2.436 1.00 0.00 C ATOM 643 CG ARG A 39 0.809 -7.655 2.957 1.00 0.00 C ATOM 644 CD ARG A 39 -0.692 -7.615 3.204 1.00 0.00 C ATOM 645 NE ARG A 39 -1.014 -7.066 4.518 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.924 -7.758 5.652 1.00 0.00 C ATOM 647 NH1 ARG A 39 -0.521 -9.022 5.637 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.235 -7.182 6.806 1.00 0.00 N ATOM 0 H ARG A 39 3.170 -7.235 2.957 1.00 0.00 H new ATOM 0 HA ARG A 39 3.092 -10.096 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.653 -9.272 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.057 -9.765 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.337 -7.429 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.081 -6.882 2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.171 -7.013 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.100 -8.622 3.122 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.326 -6.096 4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.278 -9.469 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.454 -9.546 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.543 -6.210 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.166 -7.711 7.675 1.00 0.00 H new ATOM 662 N PRO A 40 2.400 -9.559 -0.340 1.00 0.00 N ATOM 663 CA PRO A 40 2.511 -9.323 -1.785 1.00 0.00 C ATOM 664 C PRO A 40 1.805 -8.039 -2.220 1.00 0.00 C ATOM 665 O PRO A 40 0.728 -8.083 -2.818 1.00 0.00 O ATOM 666 CB PRO A 40 1.830 -10.549 -2.410 1.00 0.00 C ATOM 667 CG PRO A 40 1.804 -11.574 -1.329 1.00 0.00 C ATOM 668 CD PRO A 40 1.684 -10.810 -0.044 1.00 0.00 C ATOM 0 HA PRO A 40 3.549 -9.197 -2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.822 -10.309 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.383 -10.907 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.964 -12.257 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.711 -12.178 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.643 -10.627 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.136 -11.347 0.790 1.00 0.00 H new ATOM 676 N PHE A 41 2.418 -6.899 -1.921 1.00 0.00 N ATOM 677 CA PHE A 41 1.850 -5.606 -2.286 1.00 0.00 C ATOM 678 C PHE A 41 2.940 -4.648 -2.765 1.00 0.00 C ATOM 679 O PHE A 41 4.072 -4.692 -2.283 1.00 0.00 O ATOM 680 CB PHE A 41 1.090 -4.999 -1.098 1.00 0.00 C ATOM 681 CG PHE A 41 1.973 -4.320 -0.086 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.514 -5.032 0.971 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.258 -2.968 -0.195 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.325 -4.410 1.901 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.068 -2.340 0.734 1.00 0.00 C ATOM 686 CZ PHE A 41 3.602 -3.062 1.783 1.00 0.00 C ATOM 0 H PHE A 41 3.309 -6.844 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 41 1.149 -5.763 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.365 -4.277 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.525 -5.788 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.300 -6.086 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.843 -2.399 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.742 -4.978 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.283 -1.286 0.639 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.235 -2.574 2.509 1.00 0.00 H new ATOM 696 N LYS A 42 2.590 -3.785 -3.710 1.00 0.00 N ATOM 697 CA LYS A 42 3.537 -2.816 -4.250 1.00 0.00 C ATOM 698 C LYS A 42 2.913 -1.427 -4.311 1.00 0.00 C ATOM 699 O LYS A 42 1.710 -1.265 -4.108 1.00 0.00 O ATOM 700 CB LYS A 42 4.003 -3.243 -5.644 1.00 0.00 C ATOM 701 CG LYS A 42 2.864 -3.631 -6.573 1.00 0.00 C ATOM 702 CD LYS A 42 3.101 -4.988 -7.214 1.00 0.00 C ATOM 703 CE LYS A 42 2.283 -5.156 -8.485 1.00 0.00 C ATOM 704 NZ LYS A 42 2.991 -4.612 -9.676 1.00 0.00 N ATOM 0 H LYS A 42 1.657 -3.736 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 42 4.400 -2.780 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.567 -2.427 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.686 -4.087 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.929 -3.651 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.755 -2.875 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.160 -5.102 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.842 -5.776 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.068 -6.213 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.325 -4.650 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.401 -4.746 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.174 -3.597 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.894 -5.112 -9.802 1.00 0.00 H new ATOM 718 N LEU A 43 3.739 -0.424 -4.590 1.00 0.00 N ATOM 719 CA LEU A 43 3.266 0.952 -4.673 1.00 0.00 C ATOM 720 C LEU A 43 3.931 1.692 -5.829 1.00 0.00 C ATOM 721 O LEU A 43 5.128 1.541 -6.067 1.00 0.00 O ATOM 722 CB LEU A 43 3.545 1.687 -3.362 1.00 0.00 C ATOM 723 CG LEU A 43 2.570 1.381 -2.223 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.133 0.299 -1.314 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.263 2.641 -1.428 1.00 0.00 C ATOM 0 H LEU A 43 4.738 -0.538 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 43 2.191 0.927 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.554 1.438 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.528 2.760 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 43 1.640 1.015 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.426 0.095 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.299 -0.611 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.078 0.637 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.568 2.403 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.186 3.038 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.815 3.386 -2.086 1.00 0.00 H new ATOM 737 N GLU A 44 3.148 2.494 -6.542 1.00 0.00 N ATOM 738 CA GLU A 44 3.668 3.260 -7.668 1.00 0.00 C ATOM 739 C GLU A 44 3.923 4.706 -7.256 1.00 0.00 C ATOM 740 O GLU A 44 3.010 5.530 -7.242 1.00 0.00 O ATOM 741 CB GLU A 44 2.697 3.214 -8.851 1.00 0.00 C ATOM 742 CG GLU A 44 2.018 1.866 -9.035 1.00 0.00 C ATOM 743 CD GLU A 44 2.157 1.329 -10.447 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.422 1.804 -11.337 1.00 0.00 O ATOM 745 OE2 GLU A 44 3.001 0.434 -10.661 1.00 0.00 O ATOM 0 H GLU A 44 2.154 2.630 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 44 4.611 2.810 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.933 3.979 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.238 3.465 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.446 1.149 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.960 1.960 -8.789 1.00 0.00 H new ATOM 752 N PHE A 45 5.173 5.002 -6.918 1.00 0.00 N ATOM 753 CA PHE A 45 5.558 6.343 -6.498 1.00 0.00 C ATOM 754 C PHE A 45 5.273 7.363 -7.595 1.00 0.00 C ATOM 755 O PHE A 45 5.865 7.312 -8.674 1.00 0.00 O ATOM 756 CB PHE A 45 7.045 6.378 -6.134 1.00 0.00 C ATOM 757 CG PHE A 45 7.382 5.698 -4.830 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.481 4.838 -4.216 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.607 5.923 -4.221 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.798 4.216 -3.023 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.928 5.302 -3.029 1.00 0.00 C ATOM 762 CZ PHE A 45 8.023 4.449 -2.428 1.00 0.00 C ATOM 0 H PHE A 45 5.939 4.328 -6.927 1.00 0.00 H new ATOM 0 HA PHE A 45 4.966 6.603 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.614 5.905 -6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.370 7.417 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.521 4.653 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.318 6.591 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.089 3.548 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.887 5.484 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.272 3.965 -1.495 1.00 0.00 H new ATOM 772 N LYS A 46 4.361 8.287 -7.312 1.00 0.00 N ATOM 773 CA LYS A 46 3.995 9.322 -8.272 1.00 0.00 C ATOM 774 C LYS A 46 4.880 10.554 -8.107 1.00 0.00 C ATOM 775 O LYS A 46 5.232 11.215 -9.084 1.00 0.00 O ATOM 776 CB LYS A 46 2.525 9.708 -8.100 1.00 0.00 C ATOM 777 CG LYS A 46 1.555 8.646 -8.592 1.00 0.00 C ATOM 778 CD LYS A 46 1.829 8.262 -10.038 1.00 0.00 C ATOM 779 CE LYS A 46 2.553 6.929 -10.134 1.00 0.00 C ATOM 780 NZ LYS A 46 2.473 6.350 -11.503 1.00 0.00 N ATOM 0 H LYS A 46 3.861 8.340 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 46 4.144 8.922 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.331 9.905 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.337 10.637 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.632 7.762 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.534 9.015 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.888 8.206 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.429 9.038 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.599 7.063 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.121 6.229 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.979 5.442 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.476 6.198 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.908 7.006 -12.183 1.00 0.00 H new ATOM 794 N ASN A 47 5.238 10.853 -6.863 1.00 0.00 N ATOM 795 CA ASN A 47 6.084 12.003 -6.564 1.00 0.00 C ATOM 796 C ASN A 47 7.372 11.564 -5.875 1.00 0.00 C ATOM 797 O ASN A 47 7.396 11.343 -4.664 1.00 0.00 O ATOM 798 CB ASN A 47 5.334 12.997 -5.677 1.00 0.00 C ATOM 799 CG ASN A 47 4.202 13.689 -6.411 1.00 0.00 C ATOM 800 OD1 ASN A 47 4.051 13.539 -7.624 1.00 0.00 O ATOM 801 ND2 ASN A 47 3.400 14.453 -5.678 1.00 0.00 N ATOM 0 H ASN A 47 4.955 10.314 -6.044 1.00 0.00 H new ATOM 0 HA ASN A 47 6.341 12.488 -7.506 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.934 12.474 -4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.033 13.746 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.622 14.944 -6.118 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.563 14.548 -4.676 1.00 0.00 H new ATOM 808 N THR A 48 8.441 11.436 -6.655 1.00 0.00 N ATOM 809 CA THR A 48 9.733 11.022 -6.118 1.00 0.00 C ATOM 810 C THR A 48 10.532 12.229 -5.634 1.00 0.00 C ATOM 811 O THR A 48 11.302 12.133 -4.680 1.00 0.00 O ATOM 812 CB THR A 48 10.528 10.256 -7.178 1.00 0.00 C ATOM 813 OG1 THR A 48 10.048 10.550 -8.479 1.00 0.00 O ATOM 814 CG2 THR A 48 10.475 8.753 -6.997 1.00 0.00 C ATOM 0 H THR A 48 8.438 11.613 -7.660 1.00 0.00 H new ATOM 0 HA THR A 48 9.553 10.365 -5.267 1.00 0.00 H new ATOM 0 HB THR A 48 11.560 10.585 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.571 10.051 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.059 8.271 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.888 8.489 -6.023 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.440 8.416 -7.056 1.00 0.00 H new ATOM 822 N SER A 49 10.341 13.362 -6.302 1.00 0.00 N ATOM 823 CA SER A 49 11.044 14.588 -5.941 1.00 0.00 C ATOM 824 C SER A 49 10.341 15.809 -6.526 1.00 0.00 C ATOM 825 O SER A 49 10.985 16.795 -6.888 1.00 0.00 O ATOM 826 CB SER A 49 12.492 14.534 -6.431 1.00 0.00 C ATOM 827 OG SER A 49 12.984 13.206 -6.427 1.00 0.00 O ATOM 0 H SER A 49 9.706 13.457 -7.095 1.00 0.00 H new ATOM 0 HA SER A 49 11.040 14.674 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.553 14.944 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.118 15.159 -5.794 1.00 0.00 H new ATOM 0 HG SER A 49 13.911 13.200 -6.746 1.00 0.00 H new ATOM 833 N LYS A 50 9.018 15.736 -6.617 1.00 0.00 N ATOM 834 CA LYS A 50 8.226 16.834 -7.158 1.00 0.00 C ATOM 835 C LYS A 50 8.079 17.956 -6.136 1.00 0.00 C ATOM 836 O LYS A 50 8.327 19.123 -6.439 1.00 0.00 O ATOM 837 CB LYS A 50 6.845 16.332 -7.584 1.00 0.00 C ATOM 838 CG LYS A 50 6.872 15.458 -8.826 1.00 0.00 C ATOM 839 CD LYS A 50 6.087 16.083 -9.970 1.00 0.00 C ATOM 840 CE LYS A 50 4.701 15.472 -10.093 1.00 0.00 C ATOM 841 NZ LYS A 50 3.847 16.224 -11.054 1.00 0.00 N ATOM 0 H LYS A 50 8.471 14.927 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 50 8.747 17.229 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.403 15.768 -6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.197 17.189 -7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.905 15.299 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.456 14.478 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.999 17.157 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.631 15.945 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.789 14.436 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.222 15.459 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.910 15.776 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.742 17.207 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.292 16.215 -11.994 1.00 0.00 H new ATOM 855 N ASN A 51 7.675 17.595 -4.922 1.00 0.00 N ATOM 856 CA ASN A 51 7.496 18.571 -3.853 1.00 0.00 C ATOM 857 C ASN A 51 6.458 19.618 -4.241 1.00 0.00 C ATOM 858 O ASN A 51 6.784 20.633 -4.857 1.00 0.00 O ATOM 859 CB ASN A 51 8.827 19.251 -3.529 1.00 0.00 C ATOM 860 CG ASN A 51 9.614 18.504 -2.471 1.00 0.00 C ATOM 861 OD1 ASN A 51 10.056 19.087 -1.481 1.00 0.00 O ATOM 862 ND2 ASN A 51 9.796 17.204 -2.675 1.00 0.00 N ATOM 0 H ASN A 51 7.465 16.633 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 51 7.140 18.044 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.425 19.326 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.638 20.269 -3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.319 16.650 -1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.412 16.760 -3.509 1.00 0.00 H new ATOM 869 N ALA A 52 5.205 19.366 -3.877 1.00 0.00 N ATOM 870 CA ALA A 52 4.119 20.287 -4.185 1.00 0.00 C ATOM 871 C ALA A 52 3.092 20.327 -3.058 1.00 0.00 C ATOM 872 O ALA A 52 1.921 20.629 -3.285 1.00 0.00 O ATOM 873 CB ALA A 52 3.451 19.894 -5.495 1.00 0.00 C ATOM 0 H ALA A 52 4.917 18.530 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 52 4.543 21.286 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.641 20.590 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.184 19.925 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.049 18.885 -5.410 1.00 0.00 H new ATOM 879 N LYS A 53 3.543 20.021 -1.840 1.00 0.00 N ATOM 880 CA LYS A 53 2.669 20.021 -0.665 1.00 0.00 C ATOM 881 C LYS A 53 1.809 18.758 -0.598 1.00 0.00 C ATOM 882 O LYS A 53 1.089 18.543 0.376 1.00 0.00 O ATOM 883 CB LYS A 53 1.767 21.258 -0.663 1.00 0.00 C ATOM 884 CG LYS A 53 1.538 21.843 0.721 1.00 0.00 C ATOM 885 CD LYS A 53 0.132 22.399 0.865 1.00 0.00 C ATOM 886 CE LYS A 53 0.099 23.900 0.618 1.00 0.00 C ATOM 887 NZ LYS A 53 -0.352 24.229 -0.763 1.00 0.00 N ATOM 0 H LYS A 53 4.511 19.769 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 53 3.313 20.042 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.211 22.022 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.804 20.996 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.705 21.073 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.264 22.634 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.532 21.898 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.244 22.185 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.569 24.371 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.093 24.317 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.360 25.261 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.299 23.801 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.310 23.854 -0.914 1.00 0.00 H new ATOM 901 N PHE A 54 1.883 17.926 -1.634 1.00 0.00 N ATOM 902 CA PHE A 54 1.104 16.692 -1.677 1.00 0.00 C ATOM 903 C PHE A 54 1.936 15.544 -2.232 1.00 0.00 C ATOM 904 O PHE A 54 2.380 15.581 -3.380 1.00 0.00 O ATOM 905 CB PHE A 54 -0.153 16.882 -2.529 1.00 0.00 C ATOM 906 CG PHE A 54 -0.851 18.191 -2.292 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.272 18.546 -1.021 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.086 19.065 -3.340 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.915 19.749 -0.799 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.728 20.271 -3.126 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.144 20.612 -1.853 1.00 0.00 C ATOM 0 H PHE A 54 2.472 18.083 -2.452 1.00 0.00 H new ATOM 0 HA PHE A 54 0.808 16.446 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.118 16.811 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.847 16.068 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.096 17.875 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.764 18.802 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.238 20.014 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.904 20.945 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.648 21.552 -1.682 1.00 0.00 H new ATOM 921 N TYR A 55 2.140 14.521 -1.410 1.00 0.00 N ATOM 922 CA TYR A 55 2.912 13.360 -1.821 1.00 0.00 C ATOM 923 C TYR A 55 2.000 12.285 -2.396 1.00 0.00 C ATOM 924 O TYR A 55 1.235 11.652 -1.668 1.00 0.00 O ATOM 925 CB TYR A 55 3.701 12.799 -0.636 1.00 0.00 C ATOM 926 CG TYR A 55 4.916 13.622 -0.273 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.814 14.697 0.601 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.164 13.325 -0.805 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.922 15.452 0.935 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.277 14.075 -0.476 1.00 0.00 C ATOM 931 CZ TYR A 55 7.151 15.138 0.393 1.00 0.00 C ATOM 932 OH TYR A 55 8.257 15.886 0.723 1.00 0.00 O ATOM 0 H TYR A 55 1.781 14.474 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 55 3.612 13.672 -2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.043 12.736 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.018 11.783 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.853 14.947 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.266 12.494 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.826 16.284 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.241 13.830 -0.897 1.00 0.00 H new ATOM 0 HH TYR A 55 9.043 15.532 0.256 1.00 0.00 H new ATOM 942 N SER A 56 2.083 12.089 -3.704 1.00 0.00 N ATOM 943 CA SER A 56 1.262 11.094 -4.383 1.00 0.00 C ATOM 944 C SER A 56 1.951 9.733 -4.411 1.00 0.00 C ATOM 945 O SER A 56 3.108 9.619 -4.814 1.00 0.00 O ATOM 946 CB SER A 56 0.948 11.549 -5.808 1.00 0.00 C ATOM 947 OG SER A 56 0.158 12.725 -5.806 1.00 0.00 O ATOM 0 H SER A 56 2.712 12.606 -4.318 1.00 0.00 H new ATOM 0 HA SER A 56 0.331 10.993 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.877 11.732 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.423 10.755 -6.339 1.00 0.00 H new ATOM 0 HG SER A 56 -0.027 12.996 -6.729 1.00 0.00 H new ATOM 953 N PHE A 57 1.228 8.701 -3.982 1.00 0.00 N ATOM 954 CA PHE A 57 1.765 7.346 -3.962 1.00 0.00 C ATOM 955 C PHE A 57 0.673 6.329 -4.281 1.00 0.00 C ATOM 956 O PHE A 57 -0.377 6.312 -3.641 1.00 0.00 O ATOM 957 CB PHE A 57 2.380 7.039 -2.595 1.00 0.00 C ATOM 958 CG PHE A 57 3.748 7.627 -2.408 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.909 8.987 -2.196 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.874 6.821 -2.445 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.168 9.532 -2.024 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.135 7.359 -2.273 1.00 0.00 C ATOM 963 CZ PHE A 57 6.283 8.717 -2.063 1.00 0.00 C ATOM 0 H PHE A 57 0.269 8.779 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 57 2.541 7.275 -4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.720 7.419 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.437 5.958 -2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.041 9.629 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.765 5.759 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.280 10.594 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.004 6.719 -2.303 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.268 9.140 -1.930 1.00 0.00 H new ATOM 973 N ASN A 58 0.925 5.485 -5.277 1.00 0.00 N ATOM 974 CA ASN A 58 -0.044 4.470 -5.677 1.00 0.00 C ATOM 975 C ASN A 58 0.192 3.165 -4.923 1.00 0.00 C ATOM 976 O ASN A 58 1.268 2.943 -4.367 1.00 0.00 O ATOM 977 CB ASN A 58 0.030 4.225 -7.184 1.00 0.00 C ATOM 978 CG ASN A 58 -1.342 4.142 -7.824 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.339 3.884 -7.150 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.399 4.359 -9.133 1.00 0.00 N ATOM 0 H ASN A 58 1.788 5.483 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.039 4.837 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.598 5.028 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.573 3.299 -7.373 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.295 4.315 -9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.547 4.570 -9.653 1.00 0.00 H new ATOM 987 N VAL A 59 -0.823 2.305 -4.904 1.00 0.00 N ATOM 988 CA VAL A 59 -0.721 1.024 -4.213 1.00 0.00 C ATOM 989 C VAL A 59 -1.374 -0.094 -5.020 1.00 0.00 C ATOM 990 O VAL A 59 -2.568 -0.046 -5.315 1.00 0.00 O ATOM 991 CB VAL A 59 -1.379 1.077 -2.819 1.00 0.00 C ATOM 992 CG1 VAL A 59 -0.810 -0.011 -1.920 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.196 2.448 -2.185 1.00 0.00 C ATOM 0 H VAL A 59 -1.722 2.471 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 59 0.343 0.817 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.448 0.901 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.285 0.041 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.001 -0.988 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.265 0.133 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.668 2.461 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.132 2.661 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.656 3.206 -2.819 1.00 0.00 H new ATOM 1003 N SER A 60 -0.581 -1.100 -5.370 1.00 0.00 N ATOM 1004 CA SER A 60 -1.079 -2.236 -6.137 1.00 0.00 C ATOM 1005 C SER A 60 -1.051 -3.506 -5.295 1.00 0.00 C ATOM 1006 O SER A 60 0.018 -3.997 -4.930 1.00 0.00 O ATOM 1007 CB SER A 60 -0.245 -2.430 -7.405 1.00 0.00 C ATOM 1008 OG SER A 60 -1.067 -2.754 -8.512 1.00 0.00 O ATOM 0 H SER A 60 0.410 -1.152 -5.135 1.00 0.00 H new ATOM 0 HA SER A 60 -2.111 -2.029 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.315 -1.520 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.485 -3.224 -7.246 1.00 0.00 H new ATOM 0 HG SER A 60 -1.646 -1.992 -8.724 1.00 0.00 H new ATOM 1014 N MET A 61 -2.230 -4.031 -4.982 1.00 0.00 N ATOM 1015 CA MET A 61 -2.336 -5.242 -4.175 1.00 0.00 C ATOM 1016 C MET A 61 -3.337 -6.220 -4.782 1.00 0.00 C ATOM 1017 O MET A 61 -4.292 -5.814 -5.445 1.00 0.00 O ATOM 1018 CB MET A 61 -2.751 -4.887 -2.746 1.00 0.00 C ATOM 1019 CG MET A 61 -2.893 -6.095 -1.835 1.00 0.00 C ATOM 1020 SD MET A 61 -2.420 -5.739 -0.132 1.00 0.00 S ATOM 1021 CE MET A 61 -3.619 -6.718 0.768 1.00 0.00 C ATOM 0 H MET A 61 -3.125 -3.638 -5.274 1.00 0.00 H new ATOM 0 HA MET A 61 -1.358 -5.723 -4.156 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.013 -4.207 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.700 -4.351 -2.775 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.926 -6.442 -1.856 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.276 -6.908 -2.217 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.055 -6.116 1.565 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.406 -7.045 0.088 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.127 -7.590 1.199 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.112 -7.509 -4.548 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.996 -8.545 -5.068 1.00 0.00 C ATOM 1033 C GLU A 62 -5.333 -8.536 -4.337 1.00 0.00 C ATOM 1034 O GLU A 62 -5.422 -8.944 -3.178 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.338 -9.921 -4.935 1.00 0.00 C ATOM 1036 CG GLU A 62 -4.186 -11.057 -5.484 1.00 0.00 C ATOM 1037 CD GLU A 62 -3.795 -11.448 -6.895 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -3.347 -10.563 -7.654 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -3.939 -12.639 -7.243 1.00 0.00 O ATOM 0 H GLU A 62 -2.325 -7.860 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.177 -8.337 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.381 -9.909 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.126 -10.113 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.091 -11.925 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.235 -10.761 -5.470 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.371 -8.063 -5.018 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.705 -7.998 -4.434 1.00 0.00 C ATOM 1048 C VAL A 63 -8.535 -9.219 -4.818 1.00 0.00 C ATOM 1049 O VAL A 63 -8.489 -9.680 -5.957 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.448 -6.722 -4.876 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.839 -6.662 -4.259 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.642 -5.485 -4.509 1.00 0.00 C ATOM 0 H VAL A 63 -6.314 -7.719 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.577 -7.978 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.562 -6.751 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.343 -5.753 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.416 -7.531 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.755 -6.660 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.180 -4.592 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.495 -5.454 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.673 -5.521 -5.006 1.00 0.00 H new ATOM 1062 N SER A 64 -9.295 -9.733 -3.855 1.00 0.00 N ATOM 1063 CA SER A 64 -10.143 -10.897 -4.083 1.00 0.00 C ATOM 1064 C SER A 64 -11.618 -10.509 -4.054 1.00 0.00 C ATOM 1065 O SER A 64 -12.453 -11.152 -4.692 1.00 0.00 O ATOM 1066 CB SER A 64 -9.865 -11.967 -3.026 1.00 0.00 C ATOM 1067 OG SER A 64 -9.928 -13.267 -3.587 1.00 0.00 O ATOM 0 H SER A 64 -9.340 -9.360 -2.907 1.00 0.00 H new ATOM 0 HA SER A 64 -9.911 -11.299 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.880 -11.804 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.591 -11.881 -2.217 1.00 0.00 H new ATOM 0 HG SER A 64 -9.745 -13.933 -2.891 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.933 -9.452 -3.309 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.308 -8.976 -3.194 1.00 0.00 C ATOM 1075 C ASN A 65 -13.365 -7.670 -2.407 1.00 0.00 C ATOM 1076 O ASN A 65 -12.335 -7.140 -1.991 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.189 -10.033 -2.519 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.456 -10.805 -1.436 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -12.981 -10.096 -0.418 1.00 0.00 O flip ATOM 1080 ND2 ASN A 65 -13.319 -12.026 -1.515 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.254 -8.909 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.686 -8.793 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.063 -9.548 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.554 -10.731 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.700 -12.531 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.825 -12.532 -0.780 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.576 -7.157 -2.204 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.769 -5.912 -1.466 1.00 0.00 C ATOM 1089 C GLU A 66 -14.122 -5.988 -0.085 1.00 0.00 C ATOM 1090 O GLU A 66 -13.576 -5.004 0.409 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.261 -5.605 -1.327 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.556 -4.367 -0.493 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.914 -3.767 -0.799 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -18.343 -3.835 -1.969 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -18.548 -3.226 0.132 1.00 0.00 O ATOM 0 H GLU A 66 -15.439 -7.585 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.289 -5.109 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.690 -5.474 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.759 -6.463 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.508 -4.626 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.784 -3.619 -0.674 1.00 0.00 H new ATOM 1102 N SER A 67 -14.191 -7.165 0.532 1.00 0.00 N ATOM 1103 CA SER A 67 -13.614 -7.371 1.857 1.00 0.00 C ATOM 1104 C SER A 67 -12.188 -6.831 1.926 1.00 0.00 C ATOM 1105 O SER A 67 -11.850 -6.050 2.817 1.00 0.00 O ATOM 1106 CB SER A 67 -13.624 -8.859 2.214 1.00 0.00 C ATOM 1107 OG SER A 67 -13.726 -9.048 3.614 1.00 0.00 O ATOM 0 H SER A 67 -14.641 -7.990 0.135 1.00 0.00 H new ATOM 0 HA SER A 67 -14.223 -6.825 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.460 -9.350 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.713 -9.330 1.846 1.00 0.00 H new ATOM 0 HG SER A 67 -13.732 -10.007 3.815 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.355 -7.249 0.980 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.969 -6.801 0.937 1.00 0.00 C ATOM 1115 C GLU A 68 -9.899 -5.302 0.673 1.00 0.00 C ATOM 1116 O GLU A 68 -9.216 -4.571 1.387 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.181 -7.557 -0.138 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.580 -9.019 -0.279 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.383 -9.947 -0.354 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.476 -9.679 -1.170 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.353 -10.940 0.402 1.00 0.00 O ATOM 0 H GLU A 68 -11.614 -7.895 0.235 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.520 -7.011 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.322 -7.058 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.118 -7.501 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.204 -9.305 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.186 -9.141 -1.177 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.612 -4.851 -0.356 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.637 -3.434 -0.722 1.00 0.00 C ATOM 1130 C ARG A 69 -10.766 -2.546 0.514 1.00 0.00 C ATOM 1131 O ARG A 69 -10.184 -1.461 0.574 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.791 -3.155 -1.685 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.496 -2.046 -2.681 1.00 0.00 C ATOM 1134 CD ARG A 69 -11.398 -2.581 -4.102 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.678 -2.511 -4.803 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.240 -1.376 -5.212 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -12.638 -0.213 -4.994 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -14.406 -1.402 -5.842 1.00 0.00 N ATOM 0 H ARG A 69 -11.183 -5.448 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.693 -3.200 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.027 -4.069 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.678 -2.889 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.281 -1.291 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.562 -1.553 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.651 -2.010 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.054 -3.615 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.170 -3.384 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.740 -0.186 -4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.073 0.654 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.873 -2.292 -6.014 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.836 -0.532 -6.155 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.526 -3.014 1.498 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.726 -2.266 2.732 1.00 0.00 C ATOM 1154 C ASN A 70 -10.503 -2.381 3.638 1.00 0.00 C ATOM 1155 O ASN A 70 -10.182 -1.458 4.386 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.972 -2.770 3.464 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.875 -1.638 3.916 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.761 -1.148 5.040 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.780 -1.219 3.040 1.00 0.00 N ATOM 0 H ASN A 70 -12.014 -3.909 1.464 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.868 -1.216 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.531 -3.437 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.668 -3.357 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.417 -0.462 3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.839 -1.654 2.119 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.826 -3.522 3.561 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.635 -3.763 4.368 1.00 0.00 C ATOM 1168 C GLU A 71 -7.414 -3.086 3.753 1.00 0.00 C ATOM 1169 O GLU A 71 -6.563 -2.555 4.467 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.386 -5.266 4.507 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.451 -5.622 5.652 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.507 -7.094 6.012 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -7.823 -7.912 5.123 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.236 -7.429 7.184 1.00 0.00 O ATOM 0 H GLU A 71 -10.082 -4.295 2.947 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.803 -3.336 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.340 -5.772 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.967 -5.645 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.430 -5.357 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.711 -5.027 6.528 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.330 -3.113 2.425 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.209 -2.503 1.717 1.00 0.00 C ATOM 1183 C ILE A 72 -6.239 -0.981 1.835 1.00 0.00 C ATOM 1184 O ILE A 72 -5.201 -0.323 1.753 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.203 -2.882 0.220 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.508 -4.373 0.038 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.862 -2.523 -0.407 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.200 -4.897 -1.351 1.00 0.00 C ATOM 0 H ILE A 72 -8.024 -3.550 1.819 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.304 -2.888 2.187 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.984 -2.315 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.932 -4.943 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.561 -4.548 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.869 -2.795 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.690 -1.451 -0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.065 -3.066 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.442 -5.959 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.795 -4.354 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.141 -4.756 -1.567 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.434 -0.426 2.018 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.596 1.020 2.135 1.00 0.00 C ATOM 1202 C PHE A 73 -7.251 1.508 3.541 1.00 0.00 C ATOM 1203 O PHE A 73 -6.618 2.550 3.706 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.028 1.422 1.782 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.168 2.868 1.402 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.417 3.831 2.367 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.050 3.265 0.080 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.545 5.162 2.020 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.177 4.595 -0.274 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.426 5.545 0.698 1.00 0.00 C ATOM 0 H PHE A 73 -8.303 -0.955 2.088 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.906 1.490 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.378 0.802 0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.676 1.214 2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.512 3.538 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.856 2.526 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.738 5.903 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.082 4.891 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.527 6.585 0.425 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.678 0.756 4.549 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.415 1.123 5.938 1.00 0.00 C ATOM 1222 C GLN A 74 -5.958 0.865 6.307 1.00 0.00 C ATOM 1223 O GLN A 74 -5.347 1.644 7.039 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.337 0.343 6.877 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.158 -1.162 6.789 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.012 -1.910 7.794 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -8.704 -1.944 8.986 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.095 -2.515 7.318 1.00 0.00 N ATOM 0 H GLN A 74 -8.206 -0.109 4.433 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.613 2.189 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.153 0.663 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.373 0.592 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.411 -1.496 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.109 -1.410 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.313 -2.462 6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.708 -3.033 7.948 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.406 -0.233 5.801 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.020 -0.590 6.083 1.00 0.00 C ATOM 1239 C LYS A 75 -3.058 0.446 5.513 1.00 0.00 C ATOM 1240 O LYS A 75 -2.078 0.819 6.159 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.703 -1.972 5.520 1.00 0.00 C ATOM 1242 CG LYS A 75 -3.663 -2.022 4.004 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.246 -3.397 3.514 1.00 0.00 C ATOM 1244 CE LYS A 75 -4.295 -4.447 3.843 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.679 -5.733 4.271 1.00 0.00 N ATOM 0 H LYS A 75 -5.896 -0.890 5.194 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.891 -0.611 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.740 -2.301 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.451 -2.680 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.645 -1.772 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.965 -1.272 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.085 -3.367 2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.296 -3.675 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.945 -4.075 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.923 -4.619 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.428 -6.417 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.092 -6.110 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.086 -5.572 5.110 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.341 0.906 4.299 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.497 1.899 3.644 1.00 0.00 C ATOM 1261 C ILE A 76 -2.608 3.253 4.334 1.00 0.00 C ATOM 1262 O ILE A 76 -1.620 3.974 4.471 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.863 2.054 2.153 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.893 3.009 1.458 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.297 2.542 2.001 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.562 2.374 1.118 1.00 0.00 C ATOM 0 H ILE A 76 -4.147 0.608 3.749 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.470 1.543 3.718 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.782 1.077 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.354 3.380 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.721 3.872 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.536 2.645 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.977 1.823 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.407 3.508 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.077 3.108 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.080 2.027 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.723 1.528 0.449 1.00 0.00 H new ATOM 1278 N SER A 77 -3.817 3.591 4.772 1.00 0.00 N ATOM 1279 CA SER A 77 -4.054 4.858 5.453 1.00 0.00 C ATOM 1280 C SER A 77 -4.083 4.663 6.966 1.00 0.00 C ATOM 1281 O SER A 77 -4.749 5.407 7.686 1.00 0.00 O ATOM 1282 CB SER A 77 -5.373 5.475 4.982 1.00 0.00 C ATOM 1283 OG SER A 77 -6.468 4.624 5.277 1.00 0.00 O ATOM 0 H SER A 77 -4.646 3.006 4.667 1.00 0.00 H new ATOM 0 HA SER A 77 -3.236 5.534 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.519 6.441 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.330 5.658 3.908 1.00 0.00 H new ATOM 0 HG SER A 77 -6.408 3.813 4.731 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.354 3.657 7.440 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.297 3.362 8.867 1.00 0.00 C ATOM 1291 C GLN A 78 -2.718 4.540 9.645 1.00 0.00 C ATOM 1292 O GLN A 78 -3.162 4.841 10.754 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.454 2.111 9.116 1.00 0.00 C ATOM 1294 CG GLN A 78 -2.611 1.541 10.517 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.085 0.102 10.513 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -3.693 -0.361 9.546 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -2.812 -0.616 11.596 1.00 0.00 N ATOM 0 H GLN A 78 -2.795 3.033 6.857 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.314 3.184 9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.729 1.347 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.404 2.350 8.945 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.656 1.603 11.039 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.320 2.151 11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.306 -0.193 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.108 -1.591 11.650 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.728 5.203 9.058 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.091 6.348 9.699 1.00 0.00 C ATOM 1308 C LEU A 79 -2.005 7.567 9.670 1.00 0.00 C ATOM 1309 O LEU A 79 -3.151 7.487 9.225 1.00 0.00 O ATOM 1310 CB LEU A 79 0.238 6.670 9.008 1.00 0.00 C ATOM 1311 CG LEU A 79 1.487 6.230 9.771 1.00 0.00 C ATOM 1312 CD1 LEU A 79 2.642 5.992 8.814 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.865 7.269 10.817 1.00 0.00 C ATOM 0 H LEU A 79 -1.349 4.968 8.141 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.897 6.090 10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.244 6.195 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.292 7.746 8.842 1.00 0.00 H new ATOM 0 HG LEU A 79 1.266 5.292 10.281 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.522 5.680 9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.370 5.212 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.864 6.913 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.756 6.940 11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.066 8.222 10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.043 7.390 11.523 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.495 8.696 10.150 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.266 9.933 10.182 1.00 0.00 C ATOM 1327 C ASP A 80 -1.669 10.976 9.241 1.00 0.00 C ATOM 1328 O ASP A 80 -1.767 12.177 9.489 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.321 10.487 11.606 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.341 9.768 12.469 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -3.140 8.567 12.748 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.341 10.405 12.862 1.00 0.00 O ATOM 0 H ASP A 80 -0.549 8.780 10.523 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.278 9.707 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.336 10.400 12.065 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.564 11.549 11.570 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.050 10.507 8.162 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.440 11.400 7.183 1.00 0.00 C ATOM 1339 C LYS A 81 -1.364 11.602 5.985 1.00 0.00 C ATOM 1340 O LYS A 81 -1.744 12.726 5.663 1.00 0.00 O ATOM 1341 CB LYS A 81 0.904 10.838 6.714 1.00 0.00 C ATOM 1342 CG LYS A 81 1.750 10.255 7.835 1.00 0.00 C ATOM 1343 CD LYS A 81 2.368 11.347 8.695 1.00 0.00 C ATOM 1344 CE LYS A 81 1.705 11.426 10.062 1.00 0.00 C ATOM 1345 NZ LYS A 81 2.657 11.872 11.117 1.00 0.00 N ATOM 0 H LYS A 81 -0.958 9.515 7.944 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.274 12.365 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.723 10.064 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.467 11.631 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.134 9.606 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.539 9.634 7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.434 11.155 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.273 12.307 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.863 12.117 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.302 10.449 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.166 11.913 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.448 11.199 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.023 12.816 10.878 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.720 10.499 5.332 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.598 10.539 4.168 1.00 0.00 C ATOM 1361 C VAL A 82 -3.833 11.397 4.427 1.00 0.00 C ATOM 1362 O VAL A 82 -4.524 11.224 5.432 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.052 9.125 3.759 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.857 8.274 3.355 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.828 8.465 4.891 1.00 0.00 C ATOM 0 H VAL A 82 -1.412 9.562 5.592 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.019 10.981 3.358 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.714 9.212 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.199 7.279 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.348 8.739 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.167 8.194 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.141 7.467 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.192 8.391 5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.707 9.064 5.127 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.103 12.323 3.514 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.253 13.210 3.640 1.00 0.00 C ATOM 1377 C VAL A 83 -6.152 13.122 2.408 1.00 0.00 C ATOM 1378 O VAL A 83 -7.377 13.187 2.516 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.808 14.672 3.847 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.005 15.609 3.866 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.002 14.802 5.132 1.00 0.00 C ATOM 0 H VAL A 83 -3.540 12.479 2.678 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.817 12.885 4.515 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.173 14.958 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.663 16.633 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.538 15.537 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.673 15.329 4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.694 15.839 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.615 14.494 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.118 14.166 5.073 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.537 12.973 1.239 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.284 12.876 -0.009 1.00 0.00 C ATOM 1393 C GLN A 84 -6.207 11.466 -0.581 1.00 0.00 C ATOM 1394 O GLN A 84 -5.169 11.049 -1.098 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.749 13.884 -1.030 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.504 13.879 -2.347 1.00 0.00 C ATOM 1397 CD GLN A 84 -5.677 14.417 -3.498 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -4.626 13.868 -3.831 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -6.147 15.497 -4.111 1.00 0.00 N ATOM 0 H GLN A 84 -4.524 12.917 1.130 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.328 13.106 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.796 14.884 -0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.698 13.669 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.819 12.861 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.409 14.478 -2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.023 15.919 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.633 15.905 -4.892 1.00 0.00 H new ATOM 1408 N THR A 85 -7.311 10.732 -0.486 1.00 0.00 N ATOM 1409 CA THR A 85 -7.368 9.365 -0.992 1.00 0.00 C ATOM 1410 C THR A 85 -8.454 9.223 -2.055 1.00 0.00 C ATOM 1411 O THR A 85 -9.432 9.971 -2.061 1.00 0.00 O ATOM 1412 CB THR A 85 -7.631 8.387 0.154 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.845 8.703 0.812 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.532 8.375 1.193 1.00 0.00 C ATOM 0 H THR A 85 -8.179 11.061 -0.063 1.00 0.00 H new ATOM 0 HA THR A 85 -6.406 9.132 -1.448 1.00 0.00 H new ATOM 0 HB THR A 85 -7.679 7.402 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.920 8.173 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.781 7.660 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.591 8.086 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.431 9.370 1.627 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.275 8.259 -2.951 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.238 8.018 -4.017 1.00 0.00 C ATOM 1424 C LEU A 86 -9.560 6.532 -4.132 1.00 0.00 C ATOM 1425 O LEU A 86 -10.581 6.196 -4.768 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.701 8.542 -5.350 1.00 0.00 C ATOM 1427 CG LEU A 86 -8.693 10.066 -5.491 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -7.333 10.631 -5.109 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -9.060 10.472 -6.910 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.787 5.716 -3.588 1.00 0.00 O ATOM 0 H LEU A 86 -7.471 7.632 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.156 8.552 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.684 8.175 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.301 8.121 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.439 10.478 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.347 11.716 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.108 10.371 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.568 10.212 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.049 11.559 -6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.338 10.048 -7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.056 10.100 -7.149 1.00 0.00 H new TER 1442 LEU A 86