USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= 0.226 K(o=1.9,f=-1.7!) USER MOD Set 1.2: B 3 U O2' : rot -40:sc= 1.7 USER MOD Set 2.1: A 59 ASN : amide:sc= -1.03 K(o=-1.3,f=-6.8!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.237 K(o=-1.3,f=-3) USER MOD Set 3.1: A 47 SER OG : rot -109:sc= 0.118 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -1.73 X(o=-1.6,f=-1.5) USER MOD Set 4.1: A 16 SER OG : rot -84:sc= 0.97 USER MOD Set 4.2: A 56 GLN : amide:sc= 1.27 K(o=2.2,f=-3.4!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.531 K(o=0.53,f=-0.33) USER MOD Single : A 6 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -144:sc= -0.253 (180deg=-1.26) USER MOD Single : A 15 ASN : amide:sc= 0.684 K(o=0.68,f=-0.03) USER MOD Single : A 22 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.6) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.762 F(o=-1.4,f=-0.76) USER MOD Single : A 25 THR OG1 : rot -16:sc= 0.581 USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.15 (180deg=1.05) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.1 (180deg=0.985) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -86:sc= 0.0656 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 26:sc= -0.972 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.114) USER MOD Single : A 57 TYR OH : rot -24:sc= -0.822 USER MOD Single : A 74 MET CE :methyl 165:sc= -1.1 (180deg=-1.11) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0502 F(o=-0.71,f=-0.05) USER MOD Single : A 83 ASN : amide:sc= 0.675 K(o=0.67,f=-0.29) USER MOD Single : A 89 LYS NZ :NH3+ -173:sc= 1.88 (180deg=1.77) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc=-0.00521 (180deg=-0.154) USER MOD Single : A 98 LYS NZ :NH3+ -133:sc= 0.611 (180deg=0.000131) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 165:sc= -0.0248 (180deg=-0.336) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -10:sc= 0.17 USER MOD Single : B 1 U O5' : rot 180:sc= -0.0745 USER MOD Single : B 2 U O2' : rot 37:sc= 0.132 USER MOD Single : B 4 U O2' : rot 143:sc= 0.421 USER MOD Single : B 5 C O2' : rot -19:sc= 0.193 USER MOD Single : B 5 C O3' : rot 180:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.856 8.181 -5.797 1.00 0.00 N ATOM 2 CA ALA A 2 9.724 8.959 -5.257 1.00 0.00 C ATOM 3 C ALA A 2 10.067 9.540 -3.888 1.00 0.00 C ATOM 4 O ALA A 2 11.095 9.195 -3.305 1.00 0.00 O ATOM 5 CB ALA A 2 8.464 8.093 -5.176 1.00 0.00 C ATOM 0 HA ALA A 2 9.528 9.788 -5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.641 8.685 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.203 7.736 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.650 7.241 -4.522 1.00 0.00 H new ATOM 13 N SER A 3 9.205 10.423 -3.375 1.00 0.00 N ATOM 14 CA SER A 3 9.403 11.052 -2.075 1.00 0.00 C ATOM 15 C SER A 3 9.285 10.031 -0.946 1.00 0.00 C ATOM 16 O SER A 3 8.689 8.970 -1.121 1.00 0.00 O ATOM 17 CB SER A 3 8.393 12.183 -1.890 1.00 0.00 C ATOM 18 OG SER A 3 8.549 13.138 -2.920 1.00 0.00 O ATOM 0 H SER A 3 8.353 10.718 -3.852 1.00 0.00 H new ATOM 0 HA SER A 3 10.410 11.467 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.379 11.783 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.537 12.656 -0.918 1.00 0.00 H new ATOM 0 HG SER A 3 7.898 13.860 -2.798 1.00 0.00 H new ATOM 24 N ASN A 4 9.855 10.354 0.216 1.00 0.00 N ATOM 25 CA ASN A 4 9.829 9.477 1.381 1.00 0.00 C ATOM 26 C ASN A 4 8.598 9.718 2.253 1.00 0.00 C ATOM 27 O ASN A 4 8.486 9.146 3.335 1.00 0.00 O ATOM 28 CB ASN A 4 11.129 9.646 2.170 1.00 0.00 C ATOM 29 CG ASN A 4 11.328 11.080 2.641 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.969 11.876 1.963 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.781 11.427 3.801 1.00 0.00 N ATOM 0 H ASN A 4 10.348 11.233 0.373 1.00 0.00 H new ATOM 0 HA ASN A 4 9.756 8.444 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.119 8.979 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.973 9.349 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.888 12.379 4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.254 10.741 4.341 1.00 0.00 H new ATOM 38 N VAL A 5 7.672 10.564 1.795 1.00 0.00 N ATOM 39 CA VAL A 5 6.491 10.939 2.563 1.00 0.00 C ATOM 40 C VAL A 5 5.276 10.145 2.097 1.00 0.00 C ATOM 41 O VAL A 5 5.041 10.011 0.898 1.00 0.00 O ATOM 42 CB VAL A 5 6.266 12.449 2.451 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.995 12.886 3.174 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.449 13.188 3.077 1.00 0.00 C ATOM 0 H VAL A 5 7.724 11.007 0.878 1.00 0.00 H new ATOM 0 HA VAL A 5 6.646 10.697 3.614 1.00 0.00 H new ATOM 0 HB VAL A 5 6.169 12.689 1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.870 13.964 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.135 12.378 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.070 12.628 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.289 14.263 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.537 12.911 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.366 12.918 2.553 1.00 0.00 H new ATOM 54 N THR A 6 4.506 9.621 3.057 1.00 0.00 N ATOM 55 CA THR A 6 3.308 8.832 2.781 1.00 0.00 C ATOM 56 C THR A 6 2.233 9.019 3.851 1.00 0.00 C ATOM 57 O THR A 6 1.246 8.291 3.843 1.00 0.00 O ATOM 58 CB THR A 6 3.649 7.338 2.671 1.00 0.00 C ATOM 59 OG1 THR A 6 4.288 6.896 3.847 1.00 0.00 O ATOM 60 CG2 THR A 6 4.571 7.045 1.490 1.00 0.00 C ATOM 0 H THR A 6 4.701 9.735 4.052 1.00 0.00 H new ATOM 0 HA THR A 6 2.914 9.192 1.831 1.00 0.00 H new ATOM 0 HB THR A 6 2.707 6.811 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.630 6.825 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.785 5.977 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.084 7.351 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.503 7.598 1.610 1.00 0.00 H new ATOM 68 N ASN A 7 2.388 9.974 4.775 1.00 0.00 N ATOM 69 CA ASN A 7 1.403 10.166 5.828 1.00 0.00 C ATOM 70 C ASN A 7 0.706 11.519 5.691 1.00 0.00 C ATOM 71 O ASN A 7 1.264 12.554 6.057 1.00 0.00 O ATOM 72 CB ASN A 7 2.061 9.987 7.198 1.00 0.00 C ATOM 73 CG ASN A 7 1.044 9.980 8.330 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.130 10.280 8.137 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.496 9.634 9.531 1.00 0.00 N ATOM 0 H ASN A 7 3.180 10.616 4.810 1.00 0.00 H new ATOM 0 HA ASN A 7 0.627 9.407 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.621 9.052 7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.778 10.791 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.860 9.612 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.479 9.390 9.655 1.00 0.00 H new ATOM 82 N LYS A 8 -0.522 11.490 5.156 1.00 0.00 N ATOM 83 CA LYS A 8 -1.404 12.642 5.037 1.00 0.00 C ATOM 84 C LYS A 8 -2.840 12.164 5.249 1.00 0.00 C ATOM 85 O LYS A 8 -3.180 11.050 4.852 1.00 0.00 O ATOM 86 CB LYS A 8 -1.246 13.316 3.672 1.00 0.00 C ATOM 87 CG LYS A 8 0.131 13.976 3.557 1.00 0.00 C ATOM 88 CD LYS A 8 0.221 14.860 2.317 1.00 0.00 C ATOM 89 CE LYS A 8 0.082 14.038 1.037 1.00 0.00 C ATOM 90 NZ LYS A 8 0.158 14.899 -0.157 1.00 0.00 N ATOM 0 H LYS A 8 -0.935 10.634 4.785 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.145 13.386 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.370 12.579 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.027 14.064 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.325 14.574 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.903 13.207 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.561 15.618 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.175 15.386 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.869 13.285 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.869 13.505 1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.061 14.316 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.609 15.601 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.075 15.388 -0.174 1.00 0.00 H new ATOM 104 N THR A 9 -3.678 12.995 5.870 1.00 0.00 N ATOM 105 CA THR A 9 -5.032 12.605 6.258 1.00 0.00 C ATOM 106 C THR A 9 -6.105 13.342 5.463 1.00 0.00 C ATOM 107 O THR A 9 -7.275 13.329 5.848 1.00 0.00 O ATOM 108 CB THR A 9 -5.229 12.793 7.765 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.994 14.135 8.125 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.259 11.900 8.542 1.00 0.00 C ATOM 0 H THR A 9 -3.437 13.955 6.117 1.00 0.00 H new ATOM 0 HA THR A 9 -5.146 11.548 6.019 1.00 0.00 H new ATOM 0 HB THR A 9 -6.256 12.521 8.009 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.125 14.242 9.090 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.410 12.044 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.441 10.856 8.287 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.234 12.163 8.282 1.00 0.00 H new ATOM 118 N ASP A 10 -5.731 13.992 4.357 1.00 0.00 N ATOM 119 CA ASP A 10 -6.683 14.690 3.512 1.00 0.00 C ATOM 120 C ASP A 10 -7.638 13.686 2.863 1.00 0.00 C ATOM 121 O ASP A 10 -7.263 12.534 2.638 1.00 0.00 O ATOM 122 CB ASP A 10 -5.932 15.505 2.458 1.00 0.00 C ATOM 123 CG ASP A 10 -5.059 16.575 3.109 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.587 17.688 3.343 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.874 16.275 3.367 1.00 0.00 O ATOM 0 H ASP A 10 -4.766 14.045 4.031 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.277 15.376 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.311 14.842 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.645 15.976 1.781 1.00 0.00 H new ATOM 130 N PRO A 11 -8.872 14.107 2.553 1.00 0.00 N ATOM 131 CA PRO A 11 -9.925 13.254 2.024 1.00 0.00 C ATOM 132 C PRO A 11 -9.622 12.741 0.613 1.00 0.00 C ATOM 133 O PRO A 11 -10.443 12.028 0.036 1.00 0.00 O ATOM 134 CB PRO A 11 -11.193 14.110 2.052 1.00 0.00 C ATOM 135 CG PRO A 11 -10.650 15.531 1.914 1.00 0.00 C ATOM 136 CD PRO A 11 -9.353 15.468 2.714 1.00 0.00 C ATOM 0 HA PRO A 11 -10.029 12.351 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.870 13.856 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.749 13.978 2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.472 15.798 0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.341 16.271 2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.625 16.189 2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.526 15.703 3.764 1.00 0.00 H new ATOM 144 N ARG A 12 -8.465 13.089 0.049 1.00 0.00 N ATOM 145 CA ARG A 12 -8.049 12.601 -1.262 1.00 0.00 C ATOM 146 C ARG A 12 -6.639 12.017 -1.204 1.00 0.00 C ATOM 147 O ARG A 12 -6.280 11.188 -2.037 1.00 0.00 O ATOM 148 CB ARG A 12 -8.123 13.754 -2.265 1.00 0.00 C ATOM 149 CG ARG A 12 -8.835 13.332 -3.549 1.00 0.00 C ATOM 150 CD ARG A 12 -8.077 12.235 -4.303 1.00 0.00 C ATOM 151 NE ARG A 12 -8.739 11.924 -5.576 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.514 12.568 -6.725 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.634 13.565 -6.788 1.00 0.00 N ATOM 154 NH2 ARG A 12 -9.172 12.217 -7.825 1.00 0.00 N ATOM 0 H ARG A 12 -7.792 13.716 0.489 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.718 11.801 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.649 14.596 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.116 14.097 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.836 12.977 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.953 14.200 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.053 12.557 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.021 11.337 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.418 11.163 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.121 13.846 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.472 14.048 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.850 11.455 -7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.999 12.709 -8.701 1.00 0.00 H new ATOM 168 N SER A 13 -5.839 12.441 -0.225 1.00 0.00 N ATOM 169 CA SER A 13 -4.471 11.962 -0.082 1.00 0.00 C ATOM 170 C SER A 13 -4.424 10.648 0.689 1.00 0.00 C ATOM 171 O SER A 13 -3.485 9.880 0.509 1.00 0.00 O ATOM 172 CB SER A 13 -3.620 13.013 0.624 1.00 0.00 C ATOM 173 OG SER A 13 -3.647 14.225 -0.099 1.00 0.00 O ATOM 0 H SER A 13 -6.121 13.119 0.483 1.00 0.00 H new ATOM 0 HA SER A 13 -4.069 11.784 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.994 13.175 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.593 12.659 0.717 1.00 0.00 H new ATOM 0 HG SER A 13 -3.099 14.894 0.363 1.00 0.00 H new ATOM 179 N MET A 14 -5.414 10.365 1.543 1.00 0.00 N ATOM 180 CA MET A 14 -5.430 9.093 2.253 1.00 0.00 C ATOM 181 C MET A 14 -6.207 8.027 1.478 1.00 0.00 C ATOM 182 O MET A 14 -6.218 6.863 1.869 1.00 0.00 O ATOM 183 CB MET A 14 -5.919 9.274 3.690 1.00 0.00 C ATOM 184 CG MET A 14 -7.439 9.168 3.843 1.00 0.00 C ATOM 185 SD MET A 14 -7.996 9.137 5.569 1.00 0.00 S ATOM 186 CE MET A 14 -7.123 7.657 6.166 1.00 0.00 C ATOM 0 H MET A 14 -6.195 10.987 1.752 1.00 0.00 H new ATOM 0 HA MET A 14 -4.407 8.724 2.321 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.446 8.522 4.322 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.593 10.248 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.906 10.011 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.784 8.263 3.343 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.752 7.127 6.881 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.900 7.002 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.193 7.954 6.651 1.00 0.00 H new ATOM 196 N ASN A 15 -6.856 8.425 0.379 1.00 0.00 N ATOM 197 CA ASN A 15 -7.586 7.504 -0.479 1.00 0.00 C ATOM 198 C ASN A 15 -6.762 7.147 -1.719 1.00 0.00 C ATOM 199 O ASN A 15 -7.033 6.144 -2.373 1.00 0.00 O ATOM 200 CB ASN A 15 -8.947 8.104 -0.830 1.00 0.00 C ATOM 201 CG ASN A 15 -9.845 8.137 0.401 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.180 7.094 0.953 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.245 9.324 0.842 1.00 0.00 N ATOM 0 H ASN A 15 -6.886 9.395 0.065 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.762 6.569 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.817 9.113 -1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.419 7.516 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.848 9.387 1.662 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.949 10.173 0.361 1.00 0.00 H new ATOM 210 N SER A 16 -5.754 7.962 -2.048 1.00 0.00 N ATOM 211 CA SER A 16 -4.786 7.662 -3.096 1.00 0.00 C ATOM 212 C SER A 16 -3.556 6.947 -2.536 1.00 0.00 C ATOM 213 O SER A 16 -2.551 6.807 -3.231 1.00 0.00 O ATOM 214 CB SER A 16 -4.421 8.936 -3.856 1.00 0.00 C ATOM 215 OG SER A 16 -3.952 9.930 -2.968 1.00 0.00 O ATOM 0 H SER A 16 -5.590 8.857 -1.586 1.00 0.00 H new ATOM 0 HA SER A 16 -5.244 6.972 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.655 8.715 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.293 9.306 -4.396 1.00 0.00 H new ATOM 0 HG SER A 16 -4.714 10.411 -2.584 1.00 0.00 H new ATOM 221 N ARG A 17 -3.629 6.490 -1.280 1.00 0.00 N ATOM 222 CA ARG A 17 -2.553 5.764 -0.619 1.00 0.00 C ATOM 223 C ARG A 17 -2.917 4.291 -0.480 1.00 0.00 C ATOM 224 O ARG A 17 -4.094 3.946 -0.399 1.00 0.00 O ATOM 225 CB ARG A 17 -2.282 6.390 0.749 1.00 0.00 C ATOM 226 CG ARG A 17 -1.082 5.708 1.408 1.00 0.00 C ATOM 227 CD ARG A 17 -0.490 6.564 2.522 1.00 0.00 C ATOM 228 NE ARG A 17 -1.476 6.896 3.556 1.00 0.00 N ATOM 229 CZ ARG A 17 -2.019 8.107 3.717 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.747 9.106 2.881 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.847 8.322 4.731 1.00 0.00 N ATOM 0 H ARG A 17 -4.452 6.619 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.647 5.831 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.089 7.457 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.162 6.290 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.389 4.744 1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.318 5.509 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.346 6.034 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.090 7.484 2.096 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.766 6.155 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.112 8.956 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.174 10.021 3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.065 7.566 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.266 9.243 4.861 1.00 0.00 H new ATOM 245 N VAL A 18 -1.904 3.423 -0.450 1.00 0.00 N ATOM 246 CA VAL A 18 -2.095 1.990 -0.298 1.00 0.00 C ATOM 247 C VAL A 18 -1.278 1.469 0.874 1.00 0.00 C ATOM 248 O VAL A 18 -0.091 1.763 0.994 1.00 0.00 O ATOM 249 CB VAL A 18 -1.710 1.271 -1.593 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.893 -0.234 -1.437 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.614 1.760 -2.722 1.00 0.00 C ATOM 0 H VAL A 18 -0.926 3.701 -0.531 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.147 1.792 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.665 1.485 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.615 -0.732 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.259 -0.596 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.936 -0.452 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.346 1.252 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.653 1.542 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.489 2.835 -2.848 1.00 0.00 H new ATOM 261 N PHE A 19 -1.933 0.688 1.731 1.00 0.00 N ATOM 262 CA PHE A 19 -1.293 0.003 2.839 1.00 0.00 C ATOM 263 C PHE A 19 -0.803 -1.363 2.369 1.00 0.00 C ATOM 264 O PHE A 19 -1.545 -2.089 1.706 1.00 0.00 O ATOM 265 CB PHE A 19 -2.295 -0.131 3.989 1.00 0.00 C ATOM 266 CG PHE A 19 -1.748 -0.850 5.205 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.552 -0.412 5.791 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.428 -1.949 5.749 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.032 -1.075 6.910 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.906 -2.614 6.866 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.706 -2.181 7.444 1.00 0.00 C ATOM 0 H PHE A 19 -2.936 0.515 1.670 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.433 0.571 3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.625 0.864 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.175 -0.665 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.030 0.439 5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.355 -2.283 5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.888 -0.734 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.430 -3.462 7.282 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.301 -2.699 8.300 1.00 0.00 H new ATOM 281 N ILE A 20 0.438 -1.712 2.714 1.00 0.00 N ATOM 282 CA ILE A 20 1.032 -2.996 2.364 1.00 0.00 C ATOM 283 C ILE A 20 1.417 -3.706 3.653 1.00 0.00 C ATOM 284 O ILE A 20 2.554 -3.616 4.110 1.00 0.00 O ATOM 285 CB ILE A 20 2.242 -2.785 1.443 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.821 -2.080 0.148 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.916 -4.125 1.107 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.035 -1.497 -0.569 1.00 0.00 C ATOM 0 H ILE A 20 1.060 -1.105 3.248 1.00 0.00 H new ATOM 0 HA ILE A 20 0.321 -3.615 1.817 1.00 0.00 H new ATOM 0 HB ILE A 20 2.957 -2.156 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.310 -2.786 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.111 -1.285 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.770 -3.949 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.255 -4.602 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.201 -4.775 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.713 -1.002 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.529 -0.774 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.732 -2.298 -0.815 1.00 0.00 H new ATOM 300 N GLY A 21 0.455 -4.416 4.243 1.00 0.00 N ATOM 301 CA GLY A 21 0.677 -5.178 5.457 1.00 0.00 C ATOM 302 C GLY A 21 1.254 -6.553 5.132 1.00 0.00 C ATOM 303 O GLY A 21 1.358 -6.931 3.967 1.00 0.00 O ATOM 0 H GLY A 21 -0.499 -4.474 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.360 -4.637 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.262 -5.291 5.999 1.00 0.00 H new ATOM 307 N ASN A 22 1.630 -7.301 6.175 1.00 0.00 N ATOM 308 CA ASN A 22 2.220 -8.623 6.033 1.00 0.00 C ATOM 309 C ASN A 22 3.371 -8.609 5.024 1.00 0.00 C ATOM 310 O ASN A 22 3.453 -9.479 4.164 1.00 0.00 O ATOM 311 CB ASN A 22 1.136 -9.642 5.667 1.00 0.00 C ATOM 312 CG ASN A 22 1.642 -11.078 5.770 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.616 -11.361 6.460 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.980 -12.002 5.079 1.00 0.00 N ATOM 0 H ASN A 22 1.530 -6.998 7.144 1.00 0.00 H new ATOM 0 HA ASN A 22 2.651 -8.925 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.278 -9.512 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.788 -9.452 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.279 -12.977 5.114 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.174 -11.736 4.514 1.00 0.00 H new ATOM 321 N LEU A 23 4.261 -7.617 5.124 1.00 0.00 N ATOM 322 CA LEU A 23 5.409 -7.498 4.236 1.00 0.00 C ATOM 323 C LEU A 23 6.637 -8.122 4.905 1.00 0.00 C ATOM 324 O LEU A 23 6.803 -8.004 6.119 1.00 0.00 O ATOM 325 CB LEU A 23 5.596 -6.018 3.887 1.00 0.00 C ATOM 326 CG LEU A 23 6.719 -5.751 2.882 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.479 -6.463 1.554 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.807 -4.251 2.625 1.00 0.00 C ATOM 0 H LEU A 23 4.201 -6.877 5.824 1.00 0.00 H new ATOM 0 HA LEU A 23 5.255 -8.041 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.661 -5.630 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.802 -5.463 4.802 1.00 0.00 H new ATOM 0 HG LEU A 23 7.647 -6.133 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.300 -6.246 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.422 -7.538 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.543 -6.114 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.605 -4.051 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.859 -3.895 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.020 -3.733 3.560 1.00 0.00 H new ATOM 340 N ASN A 24 7.499 -8.788 4.128 1.00 0.00 N ATOM 341 CA ASN A 24 8.669 -9.448 4.693 1.00 0.00 C ATOM 342 C ASN A 24 9.671 -8.426 5.230 1.00 0.00 C ATOM 343 O ASN A 24 10.268 -8.639 6.281 1.00 0.00 O ATOM 344 CB ASN A 24 9.328 -10.320 3.620 1.00 0.00 C ATOM 345 CG ASN A 24 10.387 -11.222 4.234 1.00 0.00 C ATOM 346 OD1 ASN A 24 11.512 -11.386 3.549 1.00 0.00 O flip ATOM 347 ND2 ASN A 24 10.200 -11.768 5.318 1.00 0.00 N flip ATOM 0 H ASN A 24 7.405 -8.881 3.117 1.00 0.00 H new ATOM 0 HA ASN A 24 8.349 -10.073 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.571 -10.926 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.781 -9.686 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.324 -11.621 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.921 -12.369 5.718 1.00 0.00 H new ATOM 354 N THR A 25 9.838 -7.325 4.491 1.00 0.00 N ATOM 355 CA THR A 25 10.711 -6.185 4.783 1.00 0.00 C ATOM 356 C THR A 25 12.183 -6.529 5.011 1.00 0.00 C ATOM 357 O THR A 25 12.995 -5.630 5.215 1.00 0.00 O ATOM 358 CB THR A 25 10.142 -5.309 5.905 1.00 0.00 C ATOM 359 OG1 THR A 25 10.145 -5.976 7.149 1.00 0.00 O ATOM 360 CG2 THR A 25 8.710 -4.906 5.572 1.00 0.00 C ATOM 0 H THR A 25 9.333 -7.199 3.614 1.00 0.00 H new ATOM 0 HA THR A 25 10.717 -5.602 3.862 1.00 0.00 H new ATOM 0 HB THR A 25 10.781 -4.429 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.265 -6.938 7.004 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.311 -4.284 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.698 -4.346 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.095 -5.800 5.467 1.00 0.00 H new ATOM 368 N LEU A 26 12.543 -7.812 4.980 1.00 0.00 N ATOM 369 CA LEU A 26 13.925 -8.251 5.070 1.00 0.00 C ATOM 370 C LEU A 26 14.624 -8.213 3.709 1.00 0.00 C ATOM 371 O LEU A 26 15.849 -8.124 3.647 1.00 0.00 O ATOM 372 CB LEU A 26 13.937 -9.680 5.598 1.00 0.00 C ATOM 373 CG LEU A 26 13.385 -9.805 7.020 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.545 -11.247 7.491 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.107 -8.868 7.986 1.00 0.00 C ATOM 0 H LEU A 26 11.875 -8.577 4.891 1.00 0.00 H new ATOM 0 HA LEU A 26 14.462 -7.577 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.350 -10.311 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.959 -10.059 5.578 1.00 0.00 H new ATOM 0 HG LEU A 26 12.332 -9.524 7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.154 -11.344 8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.995 -11.911 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.601 -11.518 7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.689 -8.984 8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.169 -9.114 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.979 -7.837 7.656 1.00 0.00 H new ATOM 387 N VAL A 27 13.847 -8.281 2.623 1.00 0.00 N ATOM 388 CA VAL A 27 14.393 -8.290 1.268 1.00 0.00 C ATOM 389 C VAL A 27 13.834 -7.140 0.433 1.00 0.00 C ATOM 390 O VAL A 27 14.470 -6.725 -0.533 1.00 0.00 O ATOM 391 CB VAL A 27 14.101 -9.652 0.619 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.693 -9.739 -0.789 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.702 -10.784 1.452 1.00 0.00 C ATOM 0 H VAL A 27 12.829 -8.331 2.661 1.00 0.00 H new ATOM 0 HA VAL A 27 15.472 -8.143 1.316 1.00 0.00 H new ATOM 0 HB VAL A 27 13.017 -9.751 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.468 -10.715 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.260 -8.959 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.774 -9.605 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.485 -11.740 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.782 -10.651 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.269 -10.769 2.452 1.00 0.00 H new ATOM 403 N VAL A 28 12.658 -6.616 0.791 1.00 0.00 N ATOM 404 CA VAL A 28 12.063 -5.493 0.077 1.00 0.00 C ATOM 405 C VAL A 28 12.243 -4.215 0.883 1.00 0.00 C ATOM 406 O VAL A 28 12.044 -4.214 2.098 1.00 0.00 O ATOM 407 CB VAL A 28 10.586 -5.774 -0.221 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.958 -4.614 -0.990 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.458 -7.037 -1.072 1.00 0.00 C ATOM 0 H VAL A 28 12.101 -6.956 1.575 1.00 0.00 H new ATOM 0 HA VAL A 28 12.570 -5.361 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 28 10.071 -5.902 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.910 -4.835 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.029 -3.703 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.486 -4.474 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.406 -7.231 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.994 -6.899 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.883 -7.884 -0.533 1.00 0.00 H new ATOM 419 N LYS A 29 12.622 -3.133 0.198 1.00 0.00 N ATOM 420 CA LYS A 29 12.883 -1.841 0.822 1.00 0.00 C ATOM 421 C LYS A 29 12.119 -0.744 0.092 1.00 0.00 C ATOM 422 O LYS A 29 11.501 -0.975 -0.946 1.00 0.00 O ATOM 423 CB LYS A 29 14.388 -1.541 0.829 1.00 0.00 C ATOM 424 CG LYS A 29 15.193 -2.406 1.809 1.00 0.00 C ATOM 425 CD LYS A 29 15.560 -3.803 1.289 1.00 0.00 C ATOM 426 CE LYS A 29 16.400 -3.711 0.017 1.00 0.00 C ATOM 427 NZ LYS A 29 16.773 -5.051 -0.472 1.00 0.00 N ATOM 0 H LYS A 29 12.756 -3.133 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 29 12.539 -1.875 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.782 -1.687 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.537 -0.491 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.111 -1.878 2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.619 -2.516 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.113 -4.346 2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.651 -4.371 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.840 -3.182 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.300 -3.129 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.178 -4.972 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.476 -5.471 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.928 -5.657 -0.504 1.00 0.00 H new ATOM 441 N LYS A 30 12.164 0.473 0.638 1.00 0.00 N ATOM 442 CA LYS A 30 11.488 1.645 0.079 1.00 0.00 C ATOM 443 C LYS A 30 12.085 2.068 -1.264 1.00 0.00 C ATOM 444 O LYS A 30 11.587 2.997 -1.896 1.00 0.00 O ATOM 445 CB LYS A 30 11.534 2.773 1.113 1.00 0.00 C ATOM 446 CG LYS A 30 12.972 3.105 1.528 1.00 0.00 C ATOM 447 CD LYS A 30 13.038 3.416 3.024 1.00 0.00 C ATOM 448 CE LYS A 30 12.232 4.665 3.380 1.00 0.00 C ATOM 449 NZ LYS A 30 12.287 4.931 4.829 1.00 0.00 N ATOM 0 H LYS A 30 12.680 0.675 1.495 1.00 0.00 H new ATOM 0 HA LYS A 30 10.448 1.394 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.060 3.664 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.959 2.484 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.627 2.265 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.334 3.960 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.658 2.565 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.077 3.557 3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.623 5.523 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.195 4.535 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.073 5.933 5.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.588 4.336 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.239 4.712 5.186 1.00 0.00 H new ATOM 463 N SER A 31 13.148 1.384 -1.699 1.00 0.00 N ATOM 464 CA SER A 31 13.759 1.583 -3.005 1.00 0.00 C ATOM 465 C SER A 31 13.336 0.481 -3.977 1.00 0.00 C ATOM 466 O SER A 31 13.764 0.474 -5.131 1.00 0.00 O ATOM 467 CB SER A 31 15.280 1.628 -2.863 1.00 0.00 C ATOM 468 OG SER A 31 15.645 2.640 -1.946 1.00 0.00 O ATOM 0 H SER A 31 13.611 0.667 -1.140 1.00 0.00 H new ATOM 0 HA SER A 31 13.416 2.534 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.651 0.662 -2.520 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.740 1.820 -3.833 1.00 0.00 H new ATOM 0 HG SER A 31 16.621 2.664 -1.857 1.00 0.00 H new ATOM 474 N ASP A 32 12.497 -0.453 -3.515 1.00 0.00 N ATOM 475 CA ASP A 32 12.008 -1.568 -4.308 1.00 0.00 C ATOM 476 C ASP A 32 10.495 -1.485 -4.486 1.00 0.00 C ATOM 477 O ASP A 32 9.969 -1.867 -5.530 1.00 0.00 O ATOM 478 CB ASP A 32 12.379 -2.863 -3.586 1.00 0.00 C ATOM 479 CG ASP A 32 13.883 -3.119 -3.618 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.407 -3.359 -4.729 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.497 -3.071 -2.529 1.00 0.00 O ATOM 0 H ASP A 32 12.137 -0.448 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 32 12.461 -1.540 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.041 -2.812 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.858 -3.700 -4.050 1.00 0.00 H new ATOM 486 N VAL A 33 9.780 -0.987 -3.472 1.00 0.00 N ATOM 487 CA VAL A 33 8.331 -0.863 -3.554 1.00 0.00 C ATOM 488 C VAL A 33 7.976 0.149 -4.642 1.00 0.00 C ATOM 489 O VAL A 33 6.941 0.030 -5.292 1.00 0.00 O ATOM 490 CB VAL A 33 7.794 -0.435 -2.187 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.287 -0.203 -2.234 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.062 -1.515 -1.142 1.00 0.00 C ATOM 0 H VAL A 33 10.183 -0.666 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 33 7.873 -1.816 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 33 8.305 0.490 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.935 0.100 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.062 0.581 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.786 -1.124 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.673 -1.192 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.569 -2.440 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.136 -1.685 -1.062 1.00 0.00 H new ATOM 502 N GLU A 34 8.838 1.151 -4.847 1.00 0.00 N ATOM 503 CA GLU A 34 8.639 2.155 -5.886 1.00 0.00 C ATOM 504 C GLU A 34 9.027 1.625 -7.270 1.00 0.00 C ATOM 505 O GLU A 34 9.047 2.389 -8.235 1.00 0.00 O ATOM 506 CB GLU A 34 9.385 3.441 -5.531 1.00 0.00 C ATOM 507 CG GLU A 34 10.895 3.212 -5.449 1.00 0.00 C ATOM 508 CD GLU A 34 11.655 4.516 -5.202 1.00 0.00 C ATOM 509 OE1 GLU A 34 10.998 5.536 -4.896 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.901 4.483 -5.323 1.00 0.00 O ATOM 0 H GLU A 34 9.687 1.284 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 34 7.576 2.389 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.172 4.204 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.022 3.821 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.113 2.507 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.245 2.758 -6.376 1.00 0.00 H new ATOM 517 N ALA A 35 9.337 0.330 -7.372 1.00 0.00 N ATOM 518 CA ALA A 35 9.668 -0.313 -8.634 1.00 0.00 C ATOM 519 C ALA A 35 8.785 -1.539 -8.871 1.00 0.00 C ATOM 520 O ALA A 35 8.819 -2.123 -9.953 1.00 0.00 O ATOM 521 CB ALA A 35 11.152 -0.682 -8.630 1.00 0.00 C ATOM 0 H ALA A 35 9.364 -0.302 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 35 9.478 0.377 -9.456 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.409 -1.165 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.751 0.221 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.355 -1.365 -7.805 1.00 0.00 H new ATOM 527 N ILE A 36 7.995 -1.930 -7.864 1.00 0.00 N ATOM 528 CA ILE A 36 7.077 -3.059 -7.967 1.00 0.00 C ATOM 529 C ILE A 36 5.631 -2.574 -8.008 1.00 0.00 C ATOM 530 O ILE A 36 4.775 -3.237 -8.589 1.00 0.00 O ATOM 531 CB ILE A 36 7.314 -3.996 -6.775 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.754 -4.522 -6.816 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.322 -5.163 -6.808 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.169 -5.115 -5.469 1.00 0.00 C ATOM 0 H ILE A 36 7.978 -1.468 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 36 7.262 -3.602 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 36 7.160 -3.442 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.844 -5.281 -7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.432 -3.711 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.503 -5.819 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.304 -4.777 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.452 -5.725 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.195 -5.479 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.103 -4.348 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.506 -5.942 -5.216 1.00 0.00 H new ATOM 546 N PHE A 37 5.350 -1.421 -7.394 1.00 0.00 N ATOM 547 CA PHE A 37 4.012 -0.853 -7.361 1.00 0.00 C ATOM 548 C PHE A 37 3.866 0.272 -8.387 1.00 0.00 C ATOM 549 O PHE A 37 2.761 0.755 -8.624 1.00 0.00 O ATOM 550 CB PHE A 37 3.714 -0.374 -5.943 1.00 0.00 C ATOM 551 CG PHE A 37 3.490 -1.500 -4.959 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.578 -2.213 -4.437 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.183 -1.838 -4.571 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.362 -3.264 -3.537 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.966 -2.888 -3.665 1.00 0.00 C ATOM 556 CZ PHE A 37 3.057 -3.597 -3.146 1.00 0.00 C ATOM 0 H PHE A 37 6.049 -0.860 -6.907 1.00 0.00 H new ATOM 0 HA PHE A 37 3.283 -1.616 -7.634 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.543 0.242 -5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.829 0.263 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.584 -1.952 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.343 -1.289 -4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.201 -3.819 -3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.961 -3.149 -3.369 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.893 -4.401 -2.444 1.00 0.00 H new ATOM 566 N SER A 38 4.977 0.690 -9.004 1.00 0.00 N ATOM 567 CA SER A 38 4.976 1.771 -9.982 1.00 0.00 C ATOM 568 C SER A 38 4.330 1.342 -11.295 1.00 0.00 C ATOM 569 O SER A 38 3.995 2.179 -12.132 1.00 0.00 O ATOM 570 CB SER A 38 6.414 2.216 -10.233 1.00 0.00 C ATOM 571 OG SER A 38 7.186 1.115 -10.667 1.00 0.00 O ATOM 0 H SER A 38 5.898 0.286 -8.836 1.00 0.00 H new ATOM 0 HA SER A 38 4.389 2.597 -9.581 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.434 3.005 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.840 2.634 -9.321 1.00 0.00 H new ATOM 0 HG SER A 38 8.108 1.405 -10.828 1.00 0.00 H new ATOM 577 N LYS A 39 4.151 0.029 -11.478 1.00 0.00 N ATOM 578 CA LYS A 39 3.527 -0.536 -12.668 1.00 0.00 C ATOM 579 C LYS A 39 2.001 -0.516 -12.590 1.00 0.00 C ATOM 580 O LYS A 39 1.334 -0.773 -13.590 1.00 0.00 O ATOM 581 CB LYS A 39 4.071 -1.948 -12.873 1.00 0.00 C ATOM 582 CG LYS A 39 3.608 -2.865 -11.740 1.00 0.00 C ATOM 583 CD LYS A 39 4.500 -4.101 -11.653 1.00 0.00 C ATOM 584 CE LYS A 39 4.429 -4.907 -12.949 1.00 0.00 C ATOM 585 NZ LYS A 39 5.249 -6.129 -12.857 1.00 0.00 N ATOM 0 H LYS A 39 4.439 -0.672 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 39 3.779 0.081 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.730 -2.341 -13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.160 -1.924 -12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.633 -2.324 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.574 -3.167 -11.908 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.530 -3.800 -11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.188 -4.723 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.393 -5.175 -13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.775 -4.295 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.184 -6.659 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.240 -5.869 -12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.902 -6.722 -12.076 1.00 0.00 H new ATOM 599 N TYR A 40 1.444 -0.215 -11.409 1.00 0.00 N ATOM 600 CA TYR A 40 0.002 -0.116 -11.227 1.00 0.00 C ATOM 601 C TYR A 40 -0.446 1.339 -11.105 1.00 0.00 C ATOM 602 O TYR A 40 -1.636 1.636 -11.219 1.00 0.00 O ATOM 603 CB TYR A 40 -0.410 -0.929 -10.005 1.00 0.00 C ATOM 604 CG TYR A 40 0.015 -2.374 -10.119 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.692 -3.249 -10.955 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.132 -2.830 -9.405 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.268 -4.579 -11.099 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.564 -4.156 -9.548 1.00 0.00 C ATOM 609 CZ TYR A 40 0.871 -5.032 -10.405 1.00 0.00 C ATOM 610 OH TYR A 40 1.299 -6.316 -10.567 1.00 0.00 O ATOM 0 H TYR A 40 1.983 -0.035 -10.562 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.494 -0.525 -12.107 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.033 -0.490 -9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.492 -0.878 -9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.564 -2.900 -11.489 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.660 -2.159 -8.744 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.814 -5.254 -11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.428 -4.505 -9.001 1.00 0.00 H new ATOM 0 HH TYR A 40 0.819 -6.902 -9.945 1.00 0.00 H new ATOM 620 N GLY A 41 0.501 2.250 -10.878 1.00 0.00 N ATOM 621 CA GLY A 41 0.211 3.672 -10.860 1.00 0.00 C ATOM 622 C GLY A 41 1.470 4.502 -10.654 1.00 0.00 C ATOM 623 O GLY A 41 2.486 3.995 -10.180 1.00 0.00 O ATOM 0 H GLY A 41 1.479 2.020 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.264 3.958 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.501 3.888 -10.064 1.00 0.00 H new ATOM 627 N LYS A 42 1.399 5.788 -11.013 1.00 0.00 N ATOM 628 CA LYS A 42 2.499 6.718 -10.828 1.00 0.00 C ATOM 629 C LYS A 42 2.644 7.019 -9.345 1.00 0.00 C ATOM 630 O LYS A 42 1.763 7.635 -8.746 1.00 0.00 O ATOM 631 CB LYS A 42 2.210 7.981 -11.641 1.00 0.00 C ATOM 632 CG LYS A 42 3.186 9.108 -11.311 1.00 0.00 C ATOM 633 CD LYS A 42 2.894 10.307 -12.216 1.00 0.00 C ATOM 634 CE LYS A 42 3.651 11.521 -11.683 1.00 0.00 C ATOM 635 NZ LYS A 42 3.454 12.698 -12.547 1.00 0.00 N ATOM 0 H LYS A 42 0.572 6.206 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 42 3.440 6.294 -11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.269 7.749 -12.704 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.191 8.314 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.088 9.395 -10.264 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.212 8.770 -11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.200 10.091 -13.240 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.823 10.510 -12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.312 11.749 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.714 11.289 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.981 13.506 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.800 12.487 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.442 12.933 -12.589 1.00 0.00 H new ATOM 649 N ILE A 43 3.758 6.585 -8.755 1.00 0.00 N ATOM 650 CA ILE A 43 4.007 6.777 -7.336 1.00 0.00 C ATOM 651 C ILE A 43 4.569 8.174 -7.099 1.00 0.00 C ATOM 652 O ILE A 43 5.518 8.586 -7.764 1.00 0.00 O ATOM 653 CB ILE A 43 4.936 5.668 -6.824 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.210 4.324 -6.960 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.314 5.900 -5.360 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.079 3.139 -6.541 1.00 0.00 C ATOM 0 H ILE A 43 4.505 6.095 -9.247 1.00 0.00 H new ATOM 0 HA ILE A 43 3.077 6.706 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 43 5.853 5.670 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.307 4.340 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.894 4.190 -7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.973 5.100 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.827 6.857 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.412 5.909 -4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.514 2.214 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.970 3.102 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.374 3.255 -5.498 1.00 0.00 H new ATOM 668 N VAL A 44 3.974 8.897 -6.148 1.00 0.00 N ATOM 669 CA VAL A 44 4.401 10.243 -5.780 1.00 0.00 C ATOM 670 C VAL A 44 5.083 10.238 -4.414 1.00 0.00 C ATOM 671 O VAL A 44 5.618 11.257 -3.981 1.00 0.00 O ATOM 672 CB VAL A 44 3.208 11.206 -5.810 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.593 11.252 -7.209 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.139 10.783 -4.802 1.00 0.00 C ATOM 0 H VAL A 44 3.176 8.560 -5.609 1.00 0.00 H new ATOM 0 HA VAL A 44 5.132 10.592 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 44 3.575 12.197 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.748 11.940 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.341 11.593 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.251 10.256 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.304 11.482 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.786 9.781 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.564 10.784 -3.798 1.00 0.00 H new ATOM 684 N GLY A 45 5.062 9.087 -3.738 1.00 0.00 N ATOM 685 CA GLY A 45 5.716 8.905 -2.455 1.00 0.00 C ATOM 686 C GLY A 45 5.687 7.435 -2.058 1.00 0.00 C ATOM 687 O GLY A 45 4.731 6.726 -2.364 1.00 0.00 O ATOM 0 H GLY A 45 4.584 8.251 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.747 9.255 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.216 9.505 -1.695 1.00 0.00 H new ATOM 691 N CYS A 46 6.733 6.970 -1.374 1.00 0.00 N ATOM 692 CA CYS A 46 6.830 5.588 -0.945 1.00 0.00 C ATOM 693 C CYS A 46 7.634 5.495 0.343 1.00 0.00 C ATOM 694 O CYS A 46 8.582 6.253 0.541 1.00 0.00 O ATOM 695 CB CYS A 46 7.488 4.767 -2.056 1.00 0.00 C ATOM 696 SG CYS A 46 7.517 3.020 -1.587 1.00 0.00 S ATOM 0 H CYS A 46 7.532 7.545 -1.106 1.00 0.00 H new ATOM 0 HA CYS A 46 5.834 5.191 -0.749 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.939 4.894 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.503 5.123 -2.232 1.00 0.00 H new ATOM 0 HG CYS A 46 6.552 2.779 -0.750 1.00 0.00 H new ATOM 702 N SER A 47 7.257 4.561 1.219 1.00 0.00 N ATOM 703 CA SER A 47 7.976 4.332 2.460 1.00 0.00 C ATOM 704 C SER A 47 7.770 2.898 2.924 1.00 0.00 C ATOM 705 O SER A 47 6.731 2.295 2.662 1.00 0.00 O ATOM 706 CB SER A 47 7.501 5.318 3.525 1.00 0.00 C ATOM 707 OG SER A 47 8.314 5.194 4.669 1.00 0.00 O ATOM 0 H SER A 47 6.451 3.951 1.084 1.00 0.00 H new ATOM 0 HA SER A 47 9.041 4.490 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.547 6.337 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.460 5.121 3.781 1.00 0.00 H new ATOM 0 HG SER A 47 7.802 4.770 5.390 1.00 0.00 H new ATOM 713 N VAL A 48 8.770 2.355 3.618 1.00 0.00 N ATOM 714 CA VAL A 48 8.717 1.011 4.164 1.00 0.00 C ATOM 715 C VAL A 48 9.013 1.071 5.655 1.00 0.00 C ATOM 716 O VAL A 48 9.750 1.939 6.122 1.00 0.00 O ATOM 717 CB VAL A 48 9.692 0.090 3.421 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.742 -1.304 4.039 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.236 -0.056 1.973 1.00 0.00 C ATOM 0 H VAL A 48 9.643 2.844 3.815 1.00 0.00 H new ATOM 0 HA VAL A 48 7.720 0.592 4.027 1.00 0.00 H new ATOM 0 HB VAL A 48 10.683 0.539 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.445 -1.924 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.067 -1.230 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.750 -1.755 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.925 -0.710 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.235 -0.486 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.222 0.924 1.496 1.00 0.00 H new ATOM 729 N HIS A 49 8.424 0.131 6.391 1.00 0.00 N ATOM 730 CA HIS A 49 8.525 0.038 7.833 1.00 0.00 C ATOM 731 C HIS A 49 8.726 -1.424 8.194 1.00 0.00 C ATOM 732 O HIS A 49 8.957 -2.252 7.314 1.00 0.00 O ATOM 733 CB HIS A 49 7.240 0.600 8.450 1.00 0.00 C ATOM 734 CG HIS A 49 6.919 1.997 7.980 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.194 3.173 8.683 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.316 2.317 6.796 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.744 4.169 7.902 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.211 3.685 6.766 1.00 0.00 N ATOM 0 H HIS A 49 7.848 -0.605 5.982 1.00 0.00 H new ATOM 0 HA HIS A 49 9.366 0.614 8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.408 -0.060 8.205 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.336 0.602 9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 49 5.986 1.628 6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.802 5.218 8.153 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.800 4.238 6.014 1.00 0.00 H new ATOM 746 N LYS A 50 8.647 -1.769 9.478 1.00 0.00 N ATOM 747 CA LYS A 50 8.823 -3.154 9.877 1.00 0.00 C ATOM 748 C LYS A 50 7.495 -3.905 9.784 1.00 0.00 C ATOM 749 O LYS A 50 6.543 -3.579 10.489 1.00 0.00 O ATOM 750 CB LYS A 50 9.436 -3.203 11.274 1.00 0.00 C ATOM 751 CG LYS A 50 9.955 -4.613 11.542 1.00 0.00 C ATOM 752 CD LYS A 50 10.591 -4.674 12.929 1.00 0.00 C ATOM 753 CE LYS A 50 11.177 -6.060 13.199 1.00 0.00 C ATOM 754 NZ LYS A 50 10.124 -7.094 13.257 1.00 0.00 N ATOM 0 H LYS A 50 8.466 -1.119 10.243 1.00 0.00 H new ATOM 0 HA LYS A 50 9.512 -3.658 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.249 -2.482 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.692 -2.928 12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.137 -5.331 11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.687 -4.892 10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.376 -3.921 13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.844 -4.436 13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.892 -6.312 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.726 -6.046 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.531 -7.985 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.367 -6.783 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.731 -7.243 12.306 1.00 0.00 H new ATOM 768 N GLY A 51 7.442 -4.912 8.911 1.00 0.00 N ATOM 769 CA GLY A 51 6.261 -5.739 8.710 1.00 0.00 C ATOM 770 C GLY A 51 5.206 -5.097 7.802 1.00 0.00 C ATOM 771 O GLY A 51 4.241 -5.765 7.435 1.00 0.00 O ATOM 0 H GLY A 51 8.229 -5.176 8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.565 -6.693 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.811 -5.955 9.679 1.00 0.00 H new ATOM 775 N PHE A 52 5.367 -3.822 7.431 1.00 0.00 N ATOM 776 CA PHE A 52 4.428 -3.146 6.543 1.00 0.00 C ATOM 777 C PHE A 52 5.121 -2.054 5.725 1.00 0.00 C ATOM 778 O PHE A 52 6.258 -1.682 6.007 1.00 0.00 O ATOM 779 CB PHE A 52 3.268 -2.545 7.332 1.00 0.00 C ATOM 780 CG PHE A 52 3.659 -1.483 8.334 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.096 -1.854 9.613 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.575 -0.128 7.987 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.457 -0.868 10.542 1.00 0.00 C ATOM 784 CE2 PHE A 52 3.935 0.855 8.918 1.00 0.00 C ATOM 785 CZ PHE A 52 4.376 0.485 10.194 1.00 0.00 C ATOM 0 H PHE A 52 6.146 -3.238 7.737 1.00 0.00 H new ATOM 0 HA PHE A 52 4.036 -3.895 5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.555 -2.115 6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.752 -3.348 7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.155 -2.898 9.883 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.233 0.158 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.798 -1.153 11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.872 1.900 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.654 1.244 10.910 1.00 0.00 H new ATOM 795 N ALA A 53 4.421 -1.541 4.710 1.00 0.00 N ATOM 796 CA ALA A 53 4.895 -0.451 3.873 1.00 0.00 C ATOM 797 C ALA A 53 3.723 0.409 3.400 1.00 0.00 C ATOM 798 O ALA A 53 2.560 0.056 3.608 1.00 0.00 O ATOM 799 CB ALA A 53 5.665 -1.020 2.684 1.00 0.00 C ATOM 0 H ALA A 53 3.496 -1.881 4.448 1.00 0.00 H new ATOM 0 HA ALA A 53 5.563 0.185 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.021 -0.203 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.516 -1.598 3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.009 -1.666 2.101 1.00 0.00 H new ATOM 805 N PHE A 54 4.034 1.539 2.763 1.00 0.00 N ATOM 806 CA PHE A 54 3.046 2.474 2.250 1.00 0.00 C ATOM 807 C PHE A 54 3.467 3.014 0.884 1.00 0.00 C ATOM 808 O PHE A 54 4.648 3.240 0.629 1.00 0.00 O ATOM 809 CB PHE A 54 2.871 3.631 3.240 1.00 0.00 C ATOM 810 CG PHE A 54 1.823 3.364 4.295 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.470 3.362 3.930 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.189 3.123 5.628 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.521 3.132 4.895 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.198 2.883 6.591 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.154 2.891 6.223 1.00 0.00 C ATOM 0 H PHE A 54 4.996 1.830 2.589 1.00 0.00 H new ATOM 0 HA PHE A 54 2.098 1.950 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.825 3.829 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.601 4.532 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.190 3.538 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.231 3.122 5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.564 3.141 4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.477 2.692 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.915 2.710 6.967 1.00 0.00 H new ATOM 825 N VAL A 55 2.480 3.218 0.004 1.00 0.00 N ATOM 826 CA VAL A 55 2.689 3.754 -1.337 1.00 0.00 C ATOM 827 C VAL A 55 1.631 4.806 -1.628 1.00 0.00 C ATOM 828 O VAL A 55 0.458 4.608 -1.326 1.00 0.00 O ATOM 829 CB VAL A 55 2.618 2.635 -2.378 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.787 3.192 -3.790 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.732 1.623 -2.138 1.00 0.00 C ATOM 0 H VAL A 55 1.503 3.011 0.210 1.00 0.00 H new ATOM 0 HA VAL A 55 3.678 4.208 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 55 1.642 2.160 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.733 2.377 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.994 3.911 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.755 3.686 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.671 0.831 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.699 2.121 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.624 1.192 -1.143 1.00 0.00 H new ATOM 841 N GLN A 56 2.052 5.925 -2.215 1.00 0.00 N ATOM 842 CA GLN A 56 1.178 7.042 -2.511 1.00 0.00 C ATOM 843 C GLN A 56 1.094 7.234 -4.021 1.00 0.00 C ATOM 844 O GLN A 56 2.116 7.218 -4.705 1.00 0.00 O ATOM 845 CB GLN A 56 1.750 8.285 -1.820 1.00 0.00 C ATOM 846 CG GLN A 56 0.814 9.488 -1.891 1.00 0.00 C ATOM 847 CD GLN A 56 -0.362 9.342 -0.937 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.181 9.118 0.256 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.580 9.466 -1.446 1.00 0.00 N ATOM 0 H GLN A 56 3.020 6.076 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 56 0.168 6.860 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.955 8.052 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.703 8.545 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.368 10.395 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.444 9.602 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.700 9.652 -2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.397 9.375 -0.842 1.00 0.00 H new ATOM 858 N TYR A 57 -0.122 7.421 -4.539 1.00 0.00 N ATOM 859 CA TYR A 57 -0.361 7.611 -5.962 1.00 0.00 C ATOM 860 C TYR A 57 -0.927 9.004 -6.228 1.00 0.00 C ATOM 861 O TYR A 57 -1.172 9.777 -5.299 1.00 0.00 O ATOM 862 CB TYR A 57 -1.329 6.542 -6.470 1.00 0.00 C ATOM 863 CG TYR A 57 -0.775 5.140 -6.446 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.369 4.842 -7.200 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.404 4.142 -5.690 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.905 3.549 -7.181 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.869 2.849 -5.666 1.00 0.00 C ATOM 868 CZ TYR A 57 0.291 2.551 -6.402 1.00 0.00 C ATOM 869 OH TYR A 57 0.820 1.302 -6.360 1.00 0.00 O ATOM 0 H TYR A 57 -0.971 7.444 -3.974 1.00 0.00 H new ATOM 0 HA TYR A 57 0.586 7.518 -6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.235 6.572 -5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.619 6.788 -7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.837 5.611 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.298 4.370 -5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.786 3.318 -7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.348 2.078 -5.081 1.00 0.00 H new ATOM 0 HH TYR A 57 1.350 1.144 -7.169 1.00 0.00 H new ATOM 879 N VAL A 58 -1.137 9.320 -7.509 1.00 0.00 N ATOM 880 CA VAL A 58 -1.702 10.596 -7.919 1.00 0.00 C ATOM 881 C VAL A 58 -3.188 10.648 -7.568 1.00 0.00 C ATOM 882 O VAL A 58 -3.717 11.725 -7.297 1.00 0.00 O ATOM 883 CB VAL A 58 -1.474 10.789 -9.421 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.161 12.058 -9.922 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.020 10.905 -9.717 1.00 0.00 C ATOM 0 H VAL A 58 -0.918 8.695 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.208 11.409 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.895 9.922 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.983 12.170 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.233 11.988 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.758 12.922 -9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.169 11.042 -10.788 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.432 11.760 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.527 9.996 -9.393 1.00 0.00 H new ATOM 895 N ASN A 59 -3.870 9.496 -7.566 1.00 0.00 N ATOM 896 CA ASN A 59 -5.278 9.444 -7.198 1.00 0.00 C ATOM 897 C ASN A 59 -5.699 8.042 -6.753 1.00 0.00 C ATOM 898 O ASN A 59 -4.958 7.077 -6.927 1.00 0.00 O ATOM 899 CB ASN A 59 -6.144 9.945 -8.354 1.00 0.00 C ATOM 900 CG ASN A 59 -6.539 8.853 -9.333 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.723 8.570 -9.478 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.572 8.241 -10.006 1.00 0.00 N ATOM 0 H ASN A 59 -3.465 8.593 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.427 10.103 -6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.047 10.403 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.604 10.725 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.802 7.505 -10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.599 8.507 -9.856 1.00 0.00 H new ATOM 909 N GLU A 60 -6.899 7.939 -6.177 1.00 0.00 N ATOM 910 CA GLU A 60 -7.446 6.684 -5.672 1.00 0.00 C ATOM 911 C GLU A 60 -7.541 5.608 -6.755 1.00 0.00 C ATOM 912 O GLU A 60 -7.422 4.425 -6.439 1.00 0.00 O ATOM 913 CB GLU A 60 -8.819 6.971 -5.059 1.00 0.00 C ATOM 914 CG GLU A 60 -9.495 5.679 -4.581 1.00 0.00 C ATOM 915 CD GLU A 60 -10.793 5.950 -3.820 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.328 7.073 -3.941 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.245 5.017 -3.118 1.00 0.00 O ATOM 0 H GLU A 60 -7.523 8.736 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.770 6.286 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.709 7.659 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.453 7.465 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.707 5.043 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.808 5.128 -3.938 1.00 0.00 H new ATOM 924 N ARG A 61 -7.750 5.975 -8.023 1.00 0.00 N ATOM 925 CA ARG A 61 -7.844 4.982 -9.085 1.00 0.00 C ATOM 926 C ARG A 61 -6.558 4.162 -9.152 1.00 0.00 C ATOM 927 O ARG A 61 -6.592 2.953 -9.367 1.00 0.00 O ATOM 928 CB ARG A 61 -8.114 5.695 -10.412 1.00 0.00 C ATOM 929 CG ARG A 61 -7.949 4.792 -11.637 1.00 0.00 C ATOM 930 CD ARG A 61 -8.792 3.527 -11.512 1.00 0.00 C ATOM 931 NE ARG A 61 -8.750 2.741 -12.751 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.322 1.542 -12.891 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.980 0.982 -11.879 1.00 0.00 N ATOM 934 NH2 ARG A 61 -9.238 0.896 -14.049 1.00 0.00 N ATOM 0 H ARG A 61 -7.856 6.941 -8.332 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.666 4.296 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.128 6.096 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.437 6.544 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.239 5.337 -12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.899 4.522 -11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.426 2.923 -10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.823 3.794 -11.282 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.255 3.133 -13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.051 1.469 -10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.413 0.066 -11.997 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.736 1.316 -14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.675 -0.020 -14.155 1.00 0.00 H new ATOM 948 N ASN A 62 -5.412 4.819 -8.964 1.00 0.00 N ATOM 949 CA ASN A 62 -4.141 4.123 -9.003 1.00 0.00 C ATOM 950 C ASN A 62 -3.957 3.261 -7.755 1.00 0.00 C ATOM 951 O ASN A 62 -3.216 2.280 -7.790 1.00 0.00 O ATOM 952 CB ASN A 62 -3.031 5.160 -9.128 1.00 0.00 C ATOM 953 CG ASN A 62 -2.963 5.718 -10.538 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.062 6.925 -10.735 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.792 4.846 -11.521 1.00 0.00 N ATOM 0 H ASN A 62 -5.346 5.821 -8.786 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.109 3.451 -9.861 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.205 5.971 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.075 4.707 -8.866 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.738 5.170 -12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.714 3.851 -11.312 1.00 0.00 H new ATOM 962 N ALA A 63 -4.628 3.616 -6.656 1.00 0.00 N ATOM 963 CA ALA A 63 -4.557 2.845 -5.429 1.00 0.00 C ATOM 964 C ALA A 63 -5.410 1.589 -5.544 1.00 0.00 C ATOM 965 O ALA A 63 -5.035 0.536 -5.033 1.00 0.00 O ATOM 966 CB ALA A 63 -5.021 3.710 -4.259 1.00 0.00 C ATOM 0 H ALA A 63 -5.228 4.439 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.526 2.537 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.968 3.132 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.377 4.586 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.049 4.030 -4.428 1.00 0.00 H new ATOM 972 N ARG A 64 -6.561 1.687 -6.216 1.00 0.00 N ATOM 973 CA ARG A 64 -7.444 0.547 -6.415 1.00 0.00 C ATOM 974 C ARG A 64 -6.822 -0.439 -7.396 1.00 0.00 C ATOM 975 O ARG A 64 -7.153 -1.623 -7.370 1.00 0.00 O ATOM 976 CB ARG A 64 -8.802 1.031 -6.942 1.00 0.00 C ATOM 977 CG ARG A 64 -9.529 1.941 -5.945 1.00 0.00 C ATOM 978 CD ARG A 64 -9.930 1.189 -4.678 1.00 0.00 C ATOM 979 NE ARG A 64 -10.632 2.086 -3.755 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.348 1.687 -2.699 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.476 0.398 -2.398 1.00 0.00 N ATOM 982 NH2 ARG A 64 -11.942 2.600 -1.940 1.00 0.00 N ATOM 0 H ARG A 64 -6.900 2.554 -6.632 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.590 0.041 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.654 1.569 -7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.430 0.168 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.884 2.779 -5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.418 2.359 -6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.571 0.346 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.043 0.779 -4.194 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.569 3.089 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.023 -0.309 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.027 0.116 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.849 3.590 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.492 2.311 -1.131 1.00 0.00 H new ATOM 996 N ALA A 65 -5.922 0.037 -8.260 1.00 0.00 N ATOM 997 CA ALA A 65 -5.265 -0.824 -9.229 1.00 0.00 C ATOM 998 C ALA A 65 -4.115 -1.589 -8.576 1.00 0.00 C ATOM 999 O ALA A 65 -3.836 -2.723 -8.955 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.776 0.034 -10.395 1.00 0.00 C ATOM 0 H ALA A 65 -5.636 1.015 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.970 -1.566 -9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.280 -0.600 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.626 0.534 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.073 0.781 -10.027 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.444 -0.980 -7.592 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.361 -1.646 -6.894 1.00 0.00 C ATOM 1008 C ALA A 66 -2.888 -2.593 -5.818 1.00 0.00 C ATOM 1009 O ALA A 66 -2.307 -3.648 -5.583 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.464 -0.577 -6.292 1.00 0.00 C ATOM 0 H ALA A 66 -3.637 -0.032 -7.269 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.794 -2.259 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.639 -1.051 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.067 0.055 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.041 0.033 -5.597 1.00 0.00 H new ATOM 1016 N VAL A 67 -3.994 -2.226 -5.163 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.647 -3.098 -4.195 1.00 0.00 C ATOM 1018 C VAL A 67 -5.187 -4.340 -4.898 1.00 0.00 C ATOM 1019 O VAL A 67 -5.221 -5.414 -4.304 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.783 -2.327 -3.512 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.694 -3.255 -2.707 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.196 -1.294 -2.555 1.00 0.00 C ATOM 0 H VAL A 67 -4.454 -1.325 -5.290 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.929 -3.417 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.370 -1.848 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.486 -2.671 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.135 -3.998 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.111 -3.759 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.004 -0.747 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.595 -1.799 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.569 -0.597 -3.111 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.606 -4.211 -6.160 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.098 -5.354 -6.917 1.00 0.00 C ATOM 1034 C ALA A 68 -4.991 -6.025 -7.732 1.00 0.00 C ATOM 1035 O ALA A 68 -5.207 -7.101 -8.289 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.249 -4.891 -7.810 1.00 0.00 C ATOM 0 H ALA A 68 -5.613 -3.329 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.458 -6.111 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.628 -5.737 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.049 -4.485 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.892 -4.120 -8.493 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.813 -5.401 -7.808 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.704 -5.912 -8.601 1.00 0.00 C ATOM 1044 C GLY A 69 -1.599 -6.573 -7.774 1.00 0.00 C ATOM 1045 O GLY A 69 -0.744 -7.248 -8.343 1.00 0.00 O ATOM 0 H GLY A 69 -3.606 -4.529 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.088 -6.636 -9.320 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.273 -5.092 -9.175 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.598 -6.396 -6.448 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.517 -6.885 -5.595 1.00 0.00 C ATOM 1051 C GLU A 70 -1.031 -7.593 -4.342 1.00 0.00 C ATOM 1052 O GLU A 70 -0.293 -8.356 -3.726 1.00 0.00 O ATOM 1053 CB GLU A 70 0.363 -5.699 -5.184 1.00 0.00 C ATOM 1054 CG GLU A 70 1.266 -5.242 -6.327 1.00 0.00 C ATOM 1055 CD GLU A 70 2.436 -6.207 -6.501 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.353 -6.143 -5.653 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.419 -7.004 -7.467 1.00 0.00 O ATOM 0 H GLU A 70 -2.341 -5.914 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 70 0.053 -7.617 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.269 -4.870 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.975 -5.980 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.692 -5.186 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.641 -4.239 -6.124 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.282 -7.367 -3.940 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.816 -8.044 -2.769 1.00 0.00 C ATOM 1066 C ASP A 71 -2.842 -9.553 -3.001 1.00 0.00 C ATOM 1067 O ASP A 71 -3.561 -10.038 -3.874 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.218 -7.515 -2.466 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.816 -8.171 -1.227 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.033 -8.468 -0.298 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.051 -8.372 -1.210 1.00 0.00 O ATOM 0 H ASP A 71 -2.931 -6.731 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.175 -7.844 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.175 -6.436 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.868 -7.696 -3.322 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.056 -10.297 -2.219 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.995 -11.746 -2.345 1.00 0.00 C ATOM 1078 C GLY A 72 -0.926 -12.163 -3.342 1.00 0.00 C ATOM 1079 O GLY A 72 -0.857 -13.334 -3.715 1.00 0.00 O ATOM 0 H GLY A 72 -1.453 -9.914 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.783 -12.190 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.964 -12.128 -2.665 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.086 -11.216 -3.777 1.00 0.00 N ATOM 1084 CA ARG A 73 1.074 -11.530 -4.587 1.00 0.00 C ATOM 1085 C ARG A 73 2.121 -12.091 -3.638 1.00 0.00 C ATOM 1086 O ARG A 73 1.954 -12.008 -2.421 1.00 0.00 O ATOM 1087 CB ARG A 73 1.549 -10.289 -5.340 1.00 0.00 C ATOM 1088 CG ARG A 73 2.311 -9.326 -4.425 1.00 0.00 C ATOM 1089 CD ARG A 73 3.810 -9.419 -4.698 1.00 0.00 C ATOM 1090 NE ARG A 73 4.114 -8.887 -6.030 1.00 0.00 N ATOM 1091 CZ ARG A 73 5.030 -9.357 -6.879 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.787 -10.409 -6.580 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.183 -8.758 -8.056 1.00 0.00 N ATOM 0 H ARG A 73 -0.198 -10.223 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 73 0.851 -12.268 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.192 -10.590 -6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.691 -9.776 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.966 -8.305 -4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.108 -9.566 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.361 -8.861 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.136 -10.457 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 73 3.573 -8.079 -6.338 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.675 -10.879 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.479 -10.746 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.605 -7.953 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.878 -9.104 -8.718 1.00 0.00 H new ATOM 1107 N MET A 74 3.199 -12.662 -4.164 1.00 0.00 N ATOM 1108 CA MET A 74 4.195 -13.292 -3.321 1.00 0.00 C ATOM 1109 C MET A 74 5.493 -12.511 -3.424 1.00 0.00 C ATOM 1110 O MET A 74 6.037 -12.339 -4.514 1.00 0.00 O ATOM 1111 CB MET A 74 4.343 -14.757 -3.726 1.00 0.00 C ATOM 1112 CG MET A 74 5.202 -15.506 -2.707 1.00 0.00 C ATOM 1113 SD MET A 74 4.977 -17.300 -2.750 1.00 0.00 S ATOM 1114 CE MET A 74 3.301 -17.384 -2.061 1.00 0.00 C ATOM 0 H MET A 74 3.400 -12.699 -5.163 1.00 0.00 H new ATOM 0 HA MET A 74 3.892 -13.280 -2.274 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.360 -15.223 -3.795 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.798 -14.824 -4.714 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.252 -15.275 -2.890 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.965 -15.142 -1.707 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.879 -18.371 -2.250 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.340 -17.205 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.675 -16.626 -2.532 1.00 0.00 H new ATOM 1124 N ILE A 75 5.982 -12.038 -2.279 1.00 0.00 N ATOM 1125 CA ILE A 75 7.217 -11.279 -2.223 1.00 0.00 C ATOM 1126 C ILE A 75 8.125 -11.876 -1.155 1.00 0.00 C ATOM 1127 O ILE A 75 7.677 -12.198 -0.057 1.00 0.00 O ATOM 1128 CB ILE A 75 6.886 -9.795 -2.014 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.155 -9.075 -3.340 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.683 -9.183 -0.861 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.792 -7.588 -3.310 1.00 0.00 C ATOM 0 H ILE A 75 5.532 -12.172 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 75 7.770 -11.340 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 75 5.840 -9.684 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.210 -9.179 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.587 -9.564 -4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.415 -8.132 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.453 -9.714 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.749 -9.266 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.008 -7.141 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.731 -7.477 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.379 -7.086 -2.541 1.00 0.00 H new ATOM 1143 N ALA A 76 9.411 -12.023 -1.486 1.00 0.00 N ATOM 1144 CA ALA A 76 10.383 -12.683 -0.629 1.00 0.00 C ATOM 1145 C ALA A 76 9.936 -14.094 -0.226 1.00 0.00 C ATOM 1146 O ALA A 76 10.455 -14.659 0.735 1.00 0.00 O ATOM 1147 CB ALA A 76 10.695 -11.805 0.578 1.00 0.00 C ATOM 0 H ALA A 76 9.803 -11.683 -2.364 1.00 0.00 H new ATOM 0 HA ALA A 76 11.304 -12.817 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.424 -12.307 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.104 -10.853 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.781 -11.627 1.144 1.00 0.00 H new ATOM 1153 N GLY A 77 8.972 -14.660 -0.960 1.00 0.00 N ATOM 1154 CA GLY A 77 8.441 -15.986 -0.685 1.00 0.00 C ATOM 1155 C GLY A 77 7.268 -15.947 0.291 1.00 0.00 C ATOM 1156 O GLY A 77 6.774 -16.999 0.693 1.00 0.00 O ATOM 0 H GLY A 77 8.541 -14.204 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.119 -16.447 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.232 -16.614 -0.275 1.00 0.00 H new ATOM 1160 N GLN A 78 6.818 -14.747 0.676 1.00 0.00 N ATOM 1161 CA GLN A 78 5.716 -14.573 1.600 1.00 0.00 C ATOM 1162 C GLN A 78 4.632 -13.693 0.971 1.00 0.00 C ATOM 1163 O GLN A 78 4.923 -12.631 0.424 1.00 0.00 O ATOM 1164 CB GLN A 78 6.295 -14.005 2.898 1.00 0.00 C ATOM 1165 CG GLN A 78 5.231 -13.567 3.907 1.00 0.00 C ATOM 1166 CD GLN A 78 5.375 -12.076 4.180 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.253 -11.264 3.138 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.596 -11.659 5.316 1.00 0.00 N flip ATOM 0 H GLN A 78 7.219 -13.869 0.346 1.00 0.00 H new ATOM 0 HA GLN A 78 5.223 -15.518 1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.933 -14.758 3.360 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.930 -13.152 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.236 -13.782 3.519 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.340 -14.130 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.683 -12.315 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.692 -10.657 5.482 1.00 0.00 H new ATOM 1177 N VAL A 79 3.379 -14.146 1.052 1.00 0.00 N ATOM 1178 CA VAL A 79 2.221 -13.454 0.494 1.00 0.00 C ATOM 1179 C VAL A 79 2.024 -12.109 1.182 1.00 0.00 C ATOM 1180 O VAL A 79 2.199 -12.004 2.392 1.00 0.00 O ATOM 1181 CB VAL A 79 0.977 -14.330 0.687 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.256 -13.673 0.073 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.165 -15.693 0.019 1.00 0.00 C ATOM 0 H VAL A 79 3.139 -15.022 1.517 1.00 0.00 H new ATOM 0 HA VAL A 79 2.384 -13.274 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 79 0.837 -14.453 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.124 -14.315 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.430 -12.709 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.096 -13.525 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.271 -16.298 0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.335 -15.555 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.023 -16.199 0.461 1.00 0.00 H new ATOM 1193 N LEU A 80 1.659 -11.081 0.411 1.00 0.00 N ATOM 1194 CA LEU A 80 1.377 -9.762 0.961 1.00 0.00 C ATOM 1195 C LEU A 80 -0.112 -9.590 1.238 1.00 0.00 C ATOM 1196 O LEU A 80 -0.944 -10.284 0.654 1.00 0.00 O ATOM 1197 CB LEU A 80 1.866 -8.661 0.018 1.00 0.00 C ATOM 1198 CG LEU A 80 3.345 -8.802 -0.341 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.785 -7.549 -1.090 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.211 -8.938 0.906 1.00 0.00 C ATOM 0 H LEU A 80 1.553 -11.143 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 80 1.916 -9.677 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.272 -8.681 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.701 -7.690 0.484 1.00 0.00 H new ATOM 0 HG LEU A 80 3.465 -9.697 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.839 -7.634 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.192 -7.441 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.639 -6.675 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.257 -9.036 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.090 -8.053 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.906 -9.822 1.466 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.442 -8.659 2.134 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.823 -8.319 2.433 1.00 0.00 C ATOM 1214 C ASP A 81 -1.986 -6.816 2.234 1.00 0.00 C ATOM 1215 O ASP A 81 -1.617 -6.017 3.094 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.181 -8.774 3.848 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.684 -8.642 4.086 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.448 -9.100 3.207 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -4.054 -8.089 5.145 1.00 0.00 O ATOM 0 H ASP A 81 0.242 -8.124 2.669 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.514 -8.834 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.873 -9.810 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.637 -8.175 4.578 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.541 -6.434 1.084 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.574 -5.052 0.639 1.00 0.00 C ATOM 1226 C ILE A 82 -4.016 -4.556 0.552 1.00 0.00 C ATOM 1227 O ILE A 82 -4.906 -5.285 0.114 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.848 -4.966 -0.704 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.371 -5.293 -0.462 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.978 -3.575 -1.331 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.330 -5.702 -1.744 1.00 0.00 C ATOM 0 H ILE A 82 -2.982 -7.085 0.434 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.067 -4.404 1.353 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.297 -5.675 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.129 -4.424 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.291 -6.098 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.449 -3.554 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.031 -3.347 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.547 -2.832 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.375 -5.926 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.154 -6.587 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.273 -4.887 -2.466 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.247 -3.310 0.971 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.564 -2.694 0.924 1.00 0.00 C ATOM 1245 C ASN A 83 -5.445 -1.171 0.919 1.00 0.00 C ATOM 1246 O ASN A 83 -4.397 -0.617 1.241 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.403 -3.168 2.116 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.770 -2.822 3.457 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.128 -3.662 4.082 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.947 -1.585 3.909 1.00 0.00 N ATOM 0 H ASN A 83 -3.521 -2.703 1.352 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.062 -2.996 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.394 -2.717 2.060 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.540 -4.247 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.543 -1.306 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.487 -0.914 3.362 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.533 -0.495 0.550 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.625 0.953 0.567 1.00 0.00 C ATOM 1259 C LEU A 84 -6.369 1.442 1.994 1.00 0.00 C ATOM 1260 O LEU A 84 -6.917 0.872 2.939 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.032 1.310 0.079 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.156 2.612 -0.716 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.760 3.823 0.115 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.306 2.562 -1.979 1.00 0.00 C ATOM 0 H LEU A 84 -7.386 -0.952 0.227 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.888 1.430 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.398 0.492 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.691 1.372 0.945 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.206 2.714 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.862 4.726 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.409 3.893 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.725 3.719 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.412 3.499 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.260 2.416 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.637 1.735 -2.608 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.545 2.484 2.159 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.160 3.006 3.466 1.00 0.00 C ATOM 1278 C ALA A 85 -6.335 3.577 4.271 1.00 0.00 C ATOM 1279 O ALA A 85 -6.129 4.078 5.376 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.093 4.080 3.273 1.00 0.00 C ATOM 0 H ALA A 85 -5.126 2.990 1.379 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.774 2.168 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.797 4.478 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.224 3.645 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.495 4.885 2.658 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.560 3.508 3.742 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.745 3.997 4.431 1.00 0.00 C ATOM 1288 C ALA A 86 -9.849 2.938 4.463 1.00 0.00 C ATOM 1289 O ALA A 86 -10.948 3.208 4.946 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.214 5.284 3.750 1.00 0.00 C ATOM 0 H ALA A 86 -7.752 3.110 2.823 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.497 4.213 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.102 5.661 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.422 6.032 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.452 5.078 2.707 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.565 1.737 3.949 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.519 0.641 3.901 1.00 0.00 C ATOM 1298 C GLU A 87 -9.828 -0.672 4.269 1.00 0.00 C ATOM 1299 O GLU A 87 -9.710 -1.564 3.428 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.158 0.547 2.510 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.937 1.806 2.118 1.00 0.00 C ATOM 1302 CD GLU A 87 -13.143 2.065 3.025 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -13.620 1.100 3.663 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.585 3.234 3.071 1.00 0.00 O ATOM 0 H GLU A 87 -8.655 1.503 3.552 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.311 0.831 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.378 0.365 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.829 -0.311 2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.269 2.667 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.278 1.710 1.087 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.366 -0.809 5.519 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.757 -2.032 6.006 1.00 0.00 C ATOM 1313 C PRO A 88 -9.781 -3.158 5.976 1.00 0.00 C ATOM 1314 O PRO A 88 -10.978 -2.940 6.180 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.258 -1.710 7.415 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.176 -0.574 7.862 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.423 0.193 6.565 1.00 0.00 C ATOM 0 HA PRO A 88 -7.924 -2.373 5.391 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.335 -2.573 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.212 -1.404 7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.104 -0.950 8.292 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.704 0.053 8.619 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.392 0.693 6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.669 0.965 6.413 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.292 -4.371 5.715 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.127 -5.539 5.501 1.00 0.00 C ATOM 1327 C LYS A 89 -10.438 -6.239 6.822 1.00 0.00 C ATOM 1328 O LYS A 89 -11.239 -5.742 7.614 1.00 0.00 O ATOM 1329 CB LYS A 89 -9.475 -6.451 4.449 1.00 0.00 C ATOM 1330 CG LYS A 89 -7.967 -6.609 4.677 1.00 0.00 C ATOM 1331 CD LYS A 89 -7.377 -7.731 3.826 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.331 -7.361 2.343 1.00 0.00 C ATOM 1333 NZ LYS A 89 -6.638 -8.411 1.573 1.00 0.00 N ATOM 0 H LYS A 89 -8.293 -4.565 5.647 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.096 -5.238 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.950 -7.432 4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.650 -6.039 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.464 -5.671 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.779 -6.815 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.370 -7.959 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.971 -8.635 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.344 -7.231 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.817 -6.408 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.509 -8.094 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.709 -8.599 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.207 -9.282 1.584 1.00 0.00 H new ATOM 1347 N VAL A 90 -9.805 -7.390 7.055 1.00 0.00 N ATOM 1348 CA VAL A 90 -10.092 -8.260 8.194 1.00 0.00 C ATOM 1349 C VAL A 90 -8.826 -8.919 8.733 1.00 0.00 C ATOM 1350 O VAL A 90 -8.731 -9.190 9.928 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.075 -9.347 7.742 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -11.262 -10.415 8.822 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.443 -8.745 7.410 1.00 0.00 C ATOM 0 H VAL A 90 -9.068 -7.748 6.448 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.519 -7.655 8.993 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.649 -9.807 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.965 -11.170 8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.303 -10.885 9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -11.652 -9.952 9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.121 -9.537 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.848 -8.253 8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.335 -8.016 6.607 1.00 0.00 H new ATOM 1363 N ASN A 91 -7.846 -9.184 7.863 1.00 0.00 N ATOM 1364 CA ASN A 91 -6.644 -9.911 8.238 1.00 0.00 C ATOM 1365 C ASN A 91 -5.559 -9.002 8.819 1.00 0.00 C ATOM 1366 O ASN A 91 -4.474 -9.484 9.139 1.00 0.00 O ATOM 1367 CB ASN A 91 -6.140 -10.726 7.042 1.00 0.00 C ATOM 1368 CG ASN A 91 -7.060 -11.900 6.737 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -6.830 -13.009 7.212 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -8.108 -11.672 5.951 1.00 0.00 N ATOM 0 H ASN A 91 -7.870 -8.899 6.884 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.902 -10.599 9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.069 -10.082 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.135 -11.094 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.751 -12.431 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.269 -10.738 5.574 1.00 0.00 H new ATOM 1377 N ARG A 92 -5.836 -7.703 8.965 1.00 0.00 N ATOM 1378 CA ARG A 92 -4.899 -6.746 9.537 1.00 0.00 C ATOM 1379 C ARG A 92 -4.660 -7.100 11.005 1.00 0.00 C ATOM 1380 O ARG A 92 -5.365 -6.612 11.887 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.464 -5.332 9.390 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.413 -4.339 9.882 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.905 -2.901 9.774 1.00 0.00 C ATOM 1384 NE ARG A 92 -6.033 -2.647 10.677 1.00 0.00 N ATOM 1385 CZ ARG A 92 -5.911 -2.399 11.984 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -4.721 -2.378 12.574 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -6.999 -2.170 12.715 1.00 0.00 N ATOM 0 H ARG A 92 -6.725 -7.288 8.686 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.945 -6.786 9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.717 -5.131 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.383 -5.229 9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.160 -4.560 10.919 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.500 -4.456 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.089 -2.218 10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.207 -2.695 8.747 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.973 -2.661 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.878 -2.553 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.651 -2.187 13.573 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.920 -2.184 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.912 -1.980 13.713 1.00 0.00 H new ATOM 1401 N GLY A 93 -3.668 -7.948 11.270 1.00 0.00 N ATOM 1402 CA GLY A 93 -3.357 -8.362 12.629 1.00 0.00 C ATOM 1403 C GLY A 93 -2.180 -9.323 12.726 1.00 0.00 C ATOM 1404 O GLY A 93 -2.326 -10.417 13.267 1.00 0.00 O ATOM 0 H GLY A 93 -3.067 -8.361 10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.141 -7.477 13.228 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.237 -8.835 13.065 1.00 0.00 H new ATOM 1408 N LYS A 94 -1.025 -8.904 12.201 1.00 0.00 N ATOM 1409 CA LYS A 94 0.250 -9.616 12.255 1.00 0.00 C ATOM 1410 C LYS A 94 0.281 -10.976 11.555 1.00 0.00 C ATOM 1411 O LYS A 94 1.357 -11.424 11.159 1.00 0.00 O ATOM 1412 CB LYS A 94 0.674 -9.731 13.720 1.00 0.00 C ATOM 1413 CG LYS A 94 2.168 -10.028 13.808 1.00 0.00 C ATOM 1414 CD LYS A 94 2.603 -9.987 15.272 1.00 0.00 C ATOM 1415 CE LYS A 94 4.086 -10.337 15.410 1.00 0.00 C ATOM 1416 NZ LYS A 94 4.945 -9.336 14.749 1.00 0.00 N ATOM 0 H LYS A 94 -0.953 -8.016 11.704 1.00 0.00 H new ATOM 0 HA LYS A 94 0.963 -9.025 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.447 -8.804 14.247 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.108 -10.523 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.382 -11.007 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.731 -9.297 13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.420 -8.994 15.682 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.004 -10.688 15.853 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.348 -10.402 16.466 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.270 -11.319 14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.937 -9.498 15.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.847 -9.421 13.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.658 -8.382 15.046 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.863 -11.640 11.386 1.00 0.00 N ATOM 1431 CA ALA A 95 -0.924 -12.951 10.763 1.00 0.00 C ATOM 1432 C ALA A 95 -2.310 -13.212 10.177 1.00 0.00 C ATOM 1433 O ALA A 95 -3.290 -12.596 10.592 1.00 0.00 O ATOM 1434 CB ALA A 95 -0.597 -14.002 11.822 1.00 0.00 C ATOM 0 H ALA A 95 -1.771 -11.279 11.679 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.204 -12.999 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.637 -14.995 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.403 -13.822 12.216 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.323 -13.940 12.633 1.00 0.00 H new ATOM 1440 N GLY A 96 -2.386 -14.133 9.210 1.00 0.00 N ATOM 1441 CA GLY A 96 -3.646 -14.525 8.599 1.00 0.00 C ATOM 1442 C GLY A 96 -4.409 -15.521 9.469 1.00 0.00 C ATOM 1443 O GLY A 96 -5.570 -15.819 9.194 1.00 0.00 O ATOM 0 H GLY A 96 -1.574 -14.622 8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.261 -13.640 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.454 -14.968 7.621 1.00 0.00 H new ATOM 1447 N VAL A 97 -3.762 -16.039 10.518 1.00 0.00 N ATOM 1448 CA VAL A 97 -4.379 -16.975 11.445 1.00 0.00 C ATOM 1449 C VAL A 97 -4.981 -16.205 12.613 1.00 0.00 C ATOM 1450 O VAL A 97 -4.359 -15.281 13.132 1.00 0.00 O ATOM 1451 CB VAL A 97 -3.347 -18.010 11.912 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -3.982 -19.003 12.887 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -2.807 -18.790 10.715 1.00 0.00 C ATOM 0 H VAL A 97 -2.792 -15.816 10.743 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.182 -17.518 10.948 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.538 -17.475 12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.234 -19.728 13.206 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.362 -18.467 13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.804 -19.522 12.394 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.075 -19.522 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.628 -19.304 10.215 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.332 -18.101 10.016 1.00 0.00 H new ATOM 1463 N LYS A 98 -6.193 -16.591 13.024 1.00 0.00 N ATOM 1464 CA LYS A 98 -6.941 -15.908 14.076 1.00 0.00 C ATOM 1465 C LYS A 98 -7.295 -16.863 15.215 1.00 0.00 C ATOM 1466 O LYS A 98 -8.240 -16.620 15.965 1.00 0.00 O ATOM 1467 CB LYS A 98 -8.190 -15.244 13.480 1.00 0.00 C ATOM 1468 CG LYS A 98 -7.860 -14.312 12.307 1.00 0.00 C ATOM 1469 CD LYS A 98 -6.959 -13.150 12.733 1.00 0.00 C ATOM 1470 CE LYS A 98 -6.578 -12.323 11.507 1.00 0.00 C ATOM 1471 NZ LYS A 98 -5.609 -11.271 11.869 1.00 0.00 N ATOM 0 H LYS A 98 -6.684 -17.394 12.630 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.311 -15.128 14.505 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.881 -16.016 13.142 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.701 -14.676 14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.368 -14.882 11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.785 -13.918 11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.475 -12.524 13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.062 -13.532 13.220 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.150 -12.972 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.471 -11.870 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.909 -10.365 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.565 -11.181 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.669 -11.524 11.503 1.00 0.00 H new ATOM 1485 N ARG A 99 -6.536 -17.955 15.340 1.00 0.00 N ATOM 1486 CA ARG A 99 -6.739 -18.976 16.358 1.00 0.00 C ATOM 1487 C ARG A 99 -5.493 -19.086 17.233 1.00 0.00 C ATOM 1488 O ARG A 99 -4.465 -18.479 16.934 1.00 0.00 O ATOM 1489 CB ARG A 99 -7.074 -20.299 15.658 1.00 0.00 C ATOM 1490 CG ARG A 99 -7.825 -21.291 16.552 1.00 0.00 C ATOM 1491 CD ARG A 99 -9.196 -20.744 16.948 1.00 0.00 C ATOM 1492 NE ARG A 99 -9.944 -21.741 17.720 1.00 0.00 N ATOM 1493 CZ ARG A 99 -11.192 -21.574 18.169 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -11.853 -20.440 17.939 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -11.782 -22.550 18.848 1.00 0.00 N ATOM 0 H ARG A 99 -5.749 -18.153 14.722 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.569 -18.713 17.014 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.677 -20.091 14.774 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.150 -20.762 15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.946 -22.239 16.028 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.238 -21.495 17.448 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.075 -19.835 17.538 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.757 -20.472 16.054 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.479 -22.625 17.929 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.407 -19.687 17.415 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.805 -20.325 18.287 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.283 -23.422 19.025 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.734 -22.428 19.193 1.00 0.00 H new ATOM 1509 N SER A 100 -5.580 -19.862 18.315 1.00 0.00 N ATOM 1510 CA SER A 100 -4.475 -20.071 19.238 1.00 0.00 C ATOM 1511 C SER A 100 -3.282 -20.750 18.566 1.00 0.00 C ATOM 1512 O SER A 100 -2.184 -20.737 19.115 1.00 0.00 O ATOM 1513 CB SER A 100 -4.971 -20.949 20.385 1.00 0.00 C ATOM 1514 OG SER A 100 -5.976 -20.275 21.112 1.00 0.00 O ATOM 0 H SER A 100 -6.429 -20.365 18.573 1.00 0.00 H new ATOM 0 HA SER A 100 -4.138 -19.099 19.597 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.363 -21.887 19.992 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.141 -21.202 21.045 1.00 0.00 H new ATOM 0 HG SER A 100 -6.289 -20.846 21.844 1.00 0.00 H new ATOM 1520 N ALA A 101 -3.493 -21.344 17.383 1.00 0.00 N ATOM 1521 CA ALA A 101 -2.479 -22.104 16.658 1.00 0.00 C ATOM 1522 C ALA A 101 -1.819 -23.179 17.532 1.00 0.00 C ATOM 1523 O ALA A 101 -0.741 -23.672 17.205 1.00 0.00 O ATOM 1524 CB ALA A 101 -1.471 -21.150 16.018 1.00 0.00 C ATOM 0 H ALA A 101 -4.390 -21.306 16.899 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.969 -22.655 15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.718 -21.725 15.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.987 -20.487 15.324 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.988 -20.557 16.794 1.00 0.00 H new ATOM 1530 N ALA A 102 -2.466 -23.537 18.647 1.00 0.00 N ATOM 1531 CA ALA A 102 -1.953 -24.510 19.597 1.00 0.00 C ATOM 1532 C ALA A 102 -3.092 -25.261 20.288 1.00 0.00 C ATOM 1533 O ALA A 102 -2.868 -25.956 21.278 1.00 0.00 O ATOM 1534 CB ALA A 102 -1.068 -23.796 20.617 1.00 0.00 C ATOM 0 H ALA A 102 -3.372 -23.150 18.911 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.358 -25.251 19.063 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.680 -24.521 21.333 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.237 -23.313 20.103 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.655 -23.044 21.144 1.00 0.00 H new ATOM 1540 N GLU A 103 -4.318 -25.121 19.774 1.00 0.00 N ATOM 1541 CA GLU A 103 -5.501 -25.726 20.375 1.00 0.00 C ATOM 1542 C GLU A 103 -5.515 -27.248 20.229 1.00 0.00 C ATOM 1543 O GLU A 103 -6.391 -27.912 20.778 1.00 0.00 O ATOM 1544 CB GLU A 103 -6.760 -25.116 19.757 1.00 0.00 C ATOM 1545 CG GLU A 103 -6.794 -25.315 18.240 1.00 0.00 C ATOM 1546 CD GLU A 103 -8.141 -24.903 17.647 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -8.923 -24.235 18.361 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -8.381 -25.262 16.473 1.00 0.00 O ATOM 0 H GLU A 103 -4.514 -24.584 18.929 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.476 -25.513 21.444 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.643 -25.571 20.204 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.800 -24.051 19.986 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.999 -24.730 17.778 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.598 -26.361 18.005 1.00 0.00 H new ATOM 1555 N MET A 104 -4.546 -27.804 19.491 1.00 0.00 N ATOM 1556 CA MET A 104 -4.443 -29.237 19.254 1.00 0.00 C ATOM 1557 C MET A 104 -3.023 -29.751 19.487 1.00 0.00 C ATOM 1558 O MET A 104 -2.727 -30.905 19.180 1.00 0.00 O ATOM 1559 CB MET A 104 -4.943 -29.546 17.840 1.00 0.00 C ATOM 1560 CG MET A 104 -4.062 -28.881 16.784 1.00 0.00 C ATOM 1561 SD MET A 104 -4.582 -29.186 15.074 1.00 0.00 S ATOM 1562 CE MET A 104 -6.178 -28.326 15.073 1.00 0.00 C ATOM 0 H MET A 104 -3.809 -27.262 19.041 1.00 0.00 H new ATOM 0 HA MET A 104 -5.071 -29.764 19.972 1.00 0.00 H new ATOM 0 HB2 MET A 104 -4.952 -30.625 17.683 1.00 0.00 H new ATOM 0 HB3 MET A 104 -5.971 -29.199 17.731 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.052 -27.806 16.962 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.038 -29.234 16.908 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.513 -28.182 14.046 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.913 -28.922 15.614 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.069 -27.356 15.559 1.00 0.00 H new ATOM 1572 N TYR A 105 -2.146 -28.899 20.030 1.00 0.00 N ATOM 1573 CA TYR A 105 -0.759 -29.251 20.315 1.00 0.00 C ATOM 1574 C TYR A 105 -0.464 -29.189 21.813 1.00 0.00 C ATOM 1575 O TYR A 105 0.662 -29.444 22.238 1.00 0.00 O ATOM 1576 CB TYR A 105 0.180 -28.325 19.537 1.00 0.00 C ATOM 1577 CG TYR A 105 -0.084 -28.274 18.048 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -0.365 -29.451 17.339 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -0.045 -27.042 17.379 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -0.610 -29.400 15.958 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -0.295 -26.980 15.999 1.00 0.00 C ATOM 1582 CZ TYR A 105 -0.577 -28.162 15.284 1.00 0.00 C ATOM 1583 OH TYR A 105 -0.818 -28.107 13.944 1.00 0.00 O ATOM 0 H TYR A 105 -2.385 -27.940 20.284 1.00 0.00 H new ATOM 0 HA TYR A 105 -0.592 -30.279 19.994 1.00 0.00 H new ATOM 0 HB2 TYR A 105 0.095 -27.317 19.943 1.00 0.00 H new ATOM 0 HB3 TYR A 105 1.208 -28.649 19.700 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -0.393 -30.398 17.857 1.00 0.00 H new ATOM 0 HD2 TYR A 105 0.178 -26.138 17.927 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.823 -30.307 15.413 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.271 -26.030 15.487 1.00 0.00 H new ATOM 0 HH TYR A 105 -0.757 -27.178 13.639 1.00 0.00 H new ATOM 1593 N GLY A 106 -1.482 -28.852 22.611 1.00 0.00 N ATOM 1594 CA GLY A 106 -1.375 -28.763 24.059 1.00 0.00 C ATOM 1595 C GLY A 106 -1.208 -30.141 24.690 1.00 0.00 C ATOM 1596 O GLY A 106 -1.176 -31.144 23.982 1.00 0.00 O ATOM 1597 OXT GLY A 106 -1.102 -30.276 25.897 1.00 0.00 O ATOM 0 H GLY A 106 -2.413 -28.632 22.258 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.525 -28.134 24.325 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.266 -28.282 24.462 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.194 -6.789 11.312 1.00 0.00 O ATOM 1603 C5' U B 1 2.760 -5.667 10.665 1.00 0.00 C ATOM 1604 C4' U B 1 1.687 -4.810 9.992 1.00 0.00 C ATOM 1605 O4' U B 1 1.139 -5.511 8.883 1.00 0.00 O ATOM 1606 C3' U B 1 0.550 -4.449 10.946 1.00 0.00 C ATOM 1607 O3' U B 1 0.096 -3.154 10.598 1.00 0.00 O ATOM 1608 C2' U B 1 -0.458 -5.532 10.590 1.00 0.00 C ATOM 1609 O2' U B 1 -1.780 -5.244 10.974 1.00 0.00 O ATOM 1610 C1' U B 1 -0.256 -5.625 9.085 1.00 0.00 C ATOM 1611 N1 U B 1 -0.785 -6.909 8.584 1.00 0.00 N ATOM 1612 C2 U B 1 -1.801 -6.886 7.637 1.00 0.00 C ATOM 1613 O2 U B 1 -2.254 -5.841 7.178 1.00 0.00 O ATOM 1614 N3 U B 1 -2.284 -8.118 7.228 1.00 0.00 N ATOM 1615 C4 U B 1 -1.860 -9.353 7.683 1.00 0.00 C ATOM 1616 O4 U B 1 -2.360 -10.389 7.251 1.00 0.00 O ATOM 1617 C5 U B 1 -0.811 -9.280 8.675 1.00 0.00 C ATOM 1618 C6 U B 1 -0.301 -8.092 9.071 1.00 0.00 C ATOM 0 H5' U B 1 3.482 -6.001 9.919 1.00 0.00 H new ATOM 0 H5'' U B 1 3.307 -5.065 11.390 1.00 0.00 H new ATOM 0 H4' U B 1 2.170 -3.887 9.671 1.00 0.00 H new ATOM 0 H3' U B 1 0.780 -4.417 12.011 1.00 0.00 H new ATOM 0 H2' U B 1 -0.299 -6.471 11.120 1.00 0.00 H new ATOM 0 HO2' U B 1 -1.787 -4.456 11.557 1.00 0.00 H new ATOM 0 HO5' U B 1 2.905 -7.318 11.731 1.00 0.00 H new ATOM 0 H1' U B 1 -0.787 -4.844 8.541 1.00 0.00 H new ATOM 0 H3 U B 1 -3.023 -8.114 6.524 1.00 0.00 H new ATOM 0 H5 U B 1 -0.427 -10.192 9.108 1.00 0.00 H new ATOM 0 H6 U B 1 0.507 -8.077 9.788 1.00 0.00 H new ATOM 1629 P U B 2 -0.772 -2.261 11.618 1.00 0.00 P ATOM 1630 OP1 U B 2 -0.019 -2.138 12.889 1.00 0.00 O ATOM 1631 OP2 U B 2 -2.153 -2.787 11.636 1.00 0.00 O ATOM 1632 O5' U B 2 -0.812 -0.818 10.909 1.00 0.00 O ATOM 1633 C5' U B 2 0.378 -0.101 10.648 1.00 0.00 C ATOM 1634 C4' U B 2 0.058 1.351 10.276 1.00 0.00 C ATOM 1635 O4' U B 2 -0.676 1.404 9.061 1.00 0.00 O ATOM 1636 C3' U B 2 -0.789 2.014 11.365 1.00 0.00 C ATOM 1637 O3' U B 2 -0.418 3.367 11.552 1.00 0.00 O ATOM 1638 C2' U B 2 -2.191 1.930 10.767 1.00 0.00 C ATOM 1639 O2' U B 2 -3.062 2.920 11.276 1.00 0.00 O ATOM 1640 C1' U B 2 -1.879 2.122 9.292 1.00 0.00 C ATOM 1641 N1 U B 2 -2.971 1.638 8.425 1.00 0.00 N ATOM 1642 C2 U B 2 -3.627 2.571 7.631 1.00 0.00 C ATOM 1643 O2 U B 2 -3.344 3.767 7.639 1.00 0.00 O ATOM 1644 N3 U B 2 -4.633 2.086 6.813 1.00 0.00 N ATOM 1645 C4 U B 2 -5.039 0.766 6.724 1.00 0.00 C ATOM 1646 O4 U B 2 -5.936 0.441 5.954 1.00 0.00 O ATOM 1647 C5 U B 2 -4.319 -0.132 7.596 1.00 0.00 C ATOM 1648 C6 U B 2 -3.330 0.318 8.403 1.00 0.00 C ATOM 0 H5' U B 2 0.927 -0.578 9.836 1.00 0.00 H new ATOM 0 H5'' U B 2 1.024 -0.124 11.526 1.00 0.00 H new ATOM 0 H4' U B 2 1.007 1.876 10.167 1.00 0.00 H new ATOM 0 H3' U B 2 -0.685 1.543 12.343 1.00 0.00 H new ATOM 0 H2' U B 2 -2.723 1.006 10.996 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.564 3.752 11.419 1.00 0.00 H new ATOM 0 H1' U B 2 -1.771 3.179 9.049 1.00 0.00 H new ATOM 0 H3 U B 2 -5.118 2.762 6.223 1.00 0.00 H new ATOM 0 H5 U B 2 -4.574 -1.181 7.604 1.00 0.00 H new ATOM 0 H6 U B 2 -2.813 -0.381 9.044 1.00 0.00 H new ATOM 1659 P U B 3 0.792 3.787 12.532 1.00 0.00 P ATOM 1660 OP1 U B 3 1.301 2.569 13.200 1.00 0.00 O ATOM 1661 OP2 U B 3 0.325 4.929 13.351 1.00 0.00 O ATOM 1662 O5' U B 3 1.938 4.333 11.541 1.00 0.00 O ATOM 1663 C5' U B 3 3.037 3.523 11.170 1.00 0.00 C ATOM 1664 C4' U B 3 3.961 4.259 10.193 1.00 0.00 C ATOM 1665 O4' U B 3 3.373 4.322 8.902 1.00 0.00 O ATOM 1666 C3' U B 3 4.241 5.687 10.662 1.00 0.00 C ATOM 1667 O3' U B 3 5.575 6.017 10.324 1.00 0.00 O ATOM 1668 C2' U B 3 3.227 6.492 9.859 1.00 0.00 C ATOM 1669 O2' U B 3 3.680 7.802 9.587 1.00 0.00 O ATOM 1670 C1' U B 3 3.095 5.674 8.577 1.00 0.00 C ATOM 1671 N1 U B 3 1.746 5.802 7.987 1.00 0.00 N ATOM 1672 C2 U B 3 1.645 6.319 6.705 1.00 0.00 C ATOM 1673 O2 U B 3 2.625 6.658 6.045 1.00 0.00 O ATOM 1674 N3 U B 3 0.363 6.441 6.194 1.00 0.00 N ATOM 1675 C4 U B 3 -0.806 6.084 6.841 1.00 0.00 C ATOM 1676 O4 U B 3 -1.891 6.231 6.288 1.00 0.00 O ATOM 1677 C5 U B 3 -0.609 5.552 8.168 1.00 0.00 C ATOM 1678 C6 U B 3 0.630 5.424 8.687 1.00 0.00 C ATOM 0 H5' U B 3 2.676 2.603 10.710 1.00 0.00 H new ATOM 0 H5'' U B 3 3.598 3.236 12.060 1.00 0.00 H new ATOM 0 H4' U B 3 4.896 3.700 10.154 1.00 0.00 H new ATOM 0 H3' U B 3 4.147 5.859 11.734 1.00 0.00 H new ATOM 0 H2' U B 3 2.285 6.635 10.388 1.00 0.00 H new ATOM 0 HO2' U B 3 4.140 8.159 10.375 1.00 0.00 H new ATOM 0 H1' U B 3 3.798 6.043 7.830 1.00 0.00 H new ATOM 0 H3 U B 3 0.273 6.829 5.255 1.00 0.00 H new ATOM 0 H5 U B 3 -1.465 5.252 8.754 1.00 0.00 H new ATOM 0 H6 U B 3 0.745 5.013 9.679 1.00 0.00 H new ATOM 1689 P U B 4 6.420 7.059 11.213 1.00 0.00 P ATOM 1690 OP1 U B 4 6.781 6.402 12.490 1.00 0.00 O ATOM 1691 OP2 U B 4 5.699 8.355 11.229 1.00 0.00 O ATOM 1692 O5' U B 4 7.748 7.230 10.325 1.00 0.00 O ATOM 1693 C5' U B 4 8.623 6.136 10.145 1.00 0.00 C ATOM 1694 C4' U B 4 9.645 6.409 9.041 1.00 0.00 C ATOM 1695 O4' U B 4 8.989 6.747 7.826 1.00 0.00 O ATOM 1696 C3' U B 4 10.563 7.572 9.413 1.00 0.00 C ATOM 1697 O3' U B 4 11.840 7.417 8.817 1.00 0.00 O ATOM 1698 C2' U B 4 9.829 8.746 8.785 1.00 0.00 C ATOM 1699 O2' U B 4 10.709 9.819 8.510 1.00 0.00 O ATOM 1700 C1' U B 4 9.239 8.114 7.529 1.00 0.00 C ATOM 1701 N1 U B 4 8.021 8.841 7.111 1.00 0.00 N ATOM 1702 C2 U B 4 8.194 9.982 6.340 1.00 0.00 C ATOM 1703 O2 U B 4 9.299 10.381 5.976 1.00 0.00 O ATOM 1704 N3 U B 4 7.043 10.666 5.991 1.00 0.00 N ATOM 1705 C4 U B 4 5.752 10.291 6.307 1.00 0.00 C ATOM 1706 O4 U B 4 4.801 10.960 5.916 1.00 0.00 O ATOM 1707 C5 U B 4 5.659 9.089 7.101 1.00 0.00 C ATOM 1708 C6 U B 4 6.770 8.414 7.475 1.00 0.00 C ATOM 0 H5' U B 4 8.046 5.245 9.896 1.00 0.00 H new ATOM 0 H5'' U B 4 9.143 5.928 11.080 1.00 0.00 H new ATOM 0 H4' U B 4 10.232 5.499 8.918 1.00 0.00 H new ATOM 0 H3' U B 4 10.745 7.670 10.483 1.00 0.00 H new ATOM 0 H2' U B 4 9.071 9.198 9.424 1.00 0.00 H new ATOM 0 HO2' U B 4 10.445 10.252 7.671 1.00 0.00 H new ATOM 0 H1' U B 4 9.927 8.177 6.686 1.00 0.00 H new ATOM 0 H3 U B 4 7.158 11.524 5.452 1.00 0.00 H new ATOM 0 H5 U B 4 4.688 8.723 7.401 1.00 0.00 H new ATOM 0 H6 U B 4 6.670 7.520 8.073 1.00 0.00 H new ATOM 1719 P C B 5 12.880 6.309 9.351 1.00 0.00 P ATOM 1720 OP1 C B 5 12.632 6.100 10.797 1.00 0.00 O ATOM 1721 OP2 C B 5 14.233 6.688 8.890 1.00 0.00 O ATOM 1722 O5' C B 5 12.438 4.977 8.562 1.00 0.00 O ATOM 1723 C5' C B 5 12.959 3.718 8.936 1.00 0.00 C ATOM 1724 C4' C B 5 12.416 2.632 8.009 1.00 0.00 C ATOM 1725 O4' C B 5 12.918 2.796 6.688 1.00 0.00 O ATOM 1726 C3' C B 5 12.878 1.253 8.489 1.00 0.00 C ATOM 1727 O3' C B 5 11.808 0.445 8.938 1.00 0.00 O ATOM 1728 C2' C B 5 13.538 0.651 7.249 1.00 0.00 C ATOM 1729 O2' C B 5 12.598 -0.020 6.430 1.00 0.00 O ATOM 1730 C1' C B 5 14.003 1.900 6.507 1.00 0.00 C ATOM 1731 N1 C B 5 15.259 2.509 7.033 1.00 0.00 N ATOM 1732 C2 C B 5 15.625 3.757 6.526 1.00 0.00 C ATOM 1733 O2 C B 5 14.940 4.314 5.672 1.00 0.00 O ATOM 1734 N3 C B 5 16.752 4.353 6.994 1.00 0.00 N ATOM 1735 C4 C B 5 17.513 3.747 7.904 1.00 0.00 C ATOM 1736 N4 C B 5 18.611 4.368 8.325 1.00 0.00 N ATOM 1737 C5 C B 5 17.178 2.462 8.425 1.00 0.00 C ATOM 1738 C6 C B 5 16.049 1.882 7.964 1.00 0.00 C ATOM 0 H5' C B 5 12.689 3.495 9.968 1.00 0.00 H new ATOM 0 H5'' C B 5 14.048 3.737 8.889 1.00 0.00 H new ATOM 0 H4' C B 5 11.329 2.712 8.018 1.00 0.00 H new ATOM 0 H3' C B 5 13.545 1.322 9.348 1.00 0.00 H new ATOM 0 H2' C B 5 14.314 -0.073 7.498 1.00 0.00 H new ATOM 0 HO2' C B 5 11.793 -0.220 6.952 1.00 0.00 H new ATOM 0 HO3' C B 5 12.155 -0.423 9.231 1.00 0.00 H new ATOM 0 H1' C B 5 14.247 1.663 5.471 1.00 0.00 H new ATOM 0 H41 C B 5 19.211 3.926 9.021 1.00 0.00 H new ATOM 0 H42 C B 5 18.853 5.286 7.952 1.00 0.00 H new ATOM 0 H5 C B 5 17.802 1.973 9.158 1.00 0.00 H new ATOM 0 H6 C B 5 15.763 0.909 8.334 1.00 0.00 H new TER 1750 C B 5