USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 73 GLN : amide:sc= -0.668 K(o=-0.6,f=-4.7!) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0.00113 USER MOD Set 1.3: A 99 HIS : no HD1:sc= 0.0627 K(o=-0.6,f=-2.8) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 0.0524 X(o=0.089,f=-0.023) USER MOD Set 2.2: A 98 HIS :FLIP no HE2:sc= 0.0365 F(o=-0.53,f=0.089) USER MOD Set 3.1: A 78 LYS NZ :NH3+ 173:sc= 1.15 (180deg=-0.0743) USER MOD Set 3.2: A 79 ASN : amide:sc= -1.88! C(o=-0.73!,f=-13!) USER MOD Set 4.1: A 24 THR OG1 : rot -12:sc= 0.75 USER MOD Set 4.2: A 27 SER OG : rot -152:sc= 2.18 USER MOD Single : A 1 MET CE :methyl 137:sc= -0.157 (180deg=-0.698) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.0138) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -170:sc= 0.0621 USER MOD Single : A 4 THR OG1 : rot -150:sc= 0 USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.972 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.861 USER MOD Single : A 16 CYS SG : rot 50:sc= -2.85! USER MOD Single : A 22 THR OG1 : rot -24:sc= 0.874 USER MOD Single : A 28 HIS : no HD1:sc= -0.0939 K(o=-0.094,f=-8.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -114:sc= 0.258 (180deg=-0.603) USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= -0.351 (180deg=-1.94!) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.484 USER MOD Single : A 62 GLN : amide:sc= 0.0304 X(o=0.03,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.518 K(o=0.52,f=-0.043) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 91 LYS NZ :NH3+ -125:sc= 0.907 (180deg=-2.46!) USER MOD Single : A 96 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-0.83) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.53) USER MOD Single : A 102 PNS O33 : rot 180:sc= -0.0119 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.055 1.520 -3.464 1.00 0.00 N ATOM 2 CA MET A 1 -16.275 2.701 -2.599 1.00 0.00 C ATOM 3 C MET A 1 -15.268 2.677 -1.440 1.00 0.00 C ATOM 4 O MET A 1 -15.144 1.652 -0.754 1.00 0.00 O ATOM 5 CB MET A 1 -17.723 2.722 -2.049 1.00 0.00 C ATOM 6 CG MET A 1 -18.822 2.750 -3.117 1.00 0.00 C ATOM 7 SD MET A 1 -20.471 2.936 -2.412 1.00 0.00 S ATOM 8 CE MET A 1 -20.356 4.561 -1.657 1.00 0.00 C ATOM 0 H1 MET A 1 -16.713 1.552 -4.269 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.077 1.525 -3.817 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.220 0.652 -2.915 1.00 0.00 H new ATOM 0 HA MET A 1 -16.128 3.604 -3.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.870 1.843 -1.421 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.839 3.595 -1.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.631 3.572 -3.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.782 1.829 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.266 5.124 -1.865 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.234 4.454 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.498 5.093 -2.068 1.00 0.00 H new ATOM 20 N THR A 2 -14.564 3.811 -1.241 1.00 0.00 N ATOM 21 CA THR A 2 -13.504 3.962 -0.236 1.00 0.00 C ATOM 22 C THR A 2 -12.351 3.001 -0.580 1.00 0.00 C ATOM 23 O THR A 2 -12.192 1.936 0.027 1.00 0.00 O ATOM 24 CB THR A 2 -14.030 3.767 1.239 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.218 4.556 1.441 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.983 4.164 2.296 1.00 0.00 C ATOM 0 H THR A 2 -14.723 4.658 -1.786 1.00 0.00 H new ATOM 0 HA THR A 2 -13.135 4.987 -0.268 1.00 0.00 H new ATOM 0 HB THR A 2 -14.245 2.706 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 2 -15.542 4.431 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.396 4.011 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.091 3.549 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.719 5.214 2.170 1.00 0.00 H new ATOM 34 N SER A 3 -11.612 3.362 -1.636 1.00 0.00 N ATOM 35 CA SER A 3 -10.486 2.569 -2.152 1.00 0.00 C ATOM 36 C SER A 3 -9.224 2.800 -1.304 1.00 0.00 C ATOM 37 O SER A 3 -9.230 3.613 -0.360 1.00 0.00 O ATOM 38 CB SER A 3 -10.227 2.956 -3.626 1.00 0.00 C ATOM 39 OG SER A 3 -9.916 4.339 -3.750 1.00 0.00 O ATOM 0 H SER A 3 -11.779 4.220 -2.162 1.00 0.00 H new ATOM 0 HA SER A 3 -10.737 1.510 -2.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.405 2.359 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.107 2.724 -4.225 1.00 0.00 H new ATOM 0 HG SER A 3 -9.912 4.590 -4.697 1.00 0.00 H new ATOM 45 N THR A 4 -8.148 2.068 -1.648 1.00 0.00 N ATOM 46 CA THR A 4 -6.818 2.298 -1.077 1.00 0.00 C ATOM 47 C THR A 4 -6.375 3.747 -1.350 1.00 0.00 C ATOM 48 O THR A 4 -5.857 4.409 -0.458 1.00 0.00 O ATOM 49 CB THR A 4 -5.761 1.287 -1.638 1.00 0.00 C ATOM 50 OG1 THR A 4 -6.214 -0.059 -1.408 1.00 0.00 O ATOM 51 CG2 THR A 4 -4.381 1.462 -0.980 1.00 0.00 C ATOM 0 H THR A 4 -8.181 1.306 -2.326 1.00 0.00 H new ATOM 0 HA THR A 4 -6.882 2.136 -0.001 1.00 0.00 H new ATOM 0 HB THR A 4 -5.656 1.486 -2.705 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.440 -0.650 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.683 0.739 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.015 2.472 -1.166 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.467 1.299 0.094 1.00 0.00 H new ATOM 59 N PHE A 5 -6.672 4.243 -2.575 1.00 0.00 N ATOM 60 CA PHE A 5 -6.396 5.635 -2.979 1.00 0.00 C ATOM 61 C PHE A 5 -7.110 6.629 -2.055 1.00 0.00 C ATOM 62 O PHE A 5 -6.495 7.572 -1.583 1.00 0.00 O ATOM 63 CB PHE A 5 -6.825 5.881 -4.454 1.00 0.00 C ATOM 64 CG PHE A 5 -6.789 7.361 -4.877 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.579 8.019 -5.096 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.971 8.106 -5.007 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.553 9.361 -5.430 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.935 9.444 -5.350 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.727 10.073 -5.556 1.00 0.00 C ATOM 0 H PHE A 5 -7.110 3.686 -3.308 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.321 5.794 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.171 5.309 -5.112 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.835 5.497 -4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.651 7.474 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.923 7.626 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.606 9.855 -5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.856 9.998 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.700 11.121 -5.815 1.00 0.00 H new ATOM 79 N ASP A 6 -8.411 6.396 -1.825 1.00 0.00 N ATOM 80 CA ASP A 6 -9.272 7.299 -1.032 1.00 0.00 C ATOM 81 C ASP A 6 -8.746 7.457 0.407 1.00 0.00 C ATOM 82 O ASP A 6 -8.681 8.576 0.940 1.00 0.00 O ATOM 83 CB ASP A 6 -10.722 6.768 -1.018 1.00 0.00 C ATOM 84 CG ASP A 6 -11.679 7.670 -0.223 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.978 8.787 -0.700 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.115 7.286 0.883 1.00 0.00 O ATOM 0 H ASP A 6 -8.901 5.576 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.255 8.282 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.081 6.679 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.733 5.766 -0.588 1.00 0.00 H new ATOM 91 N ARG A 7 -8.357 6.318 0.997 1.00 0.00 N ATOM 92 CA ARG A 7 -7.789 6.262 2.356 1.00 0.00 C ATOM 93 C ARG A 7 -6.451 7.012 2.431 1.00 0.00 C ATOM 94 O ARG A 7 -6.293 7.895 3.272 1.00 0.00 O ATOM 95 CB ARG A 7 -7.615 4.792 2.810 1.00 0.00 C ATOM 96 CG ARG A 7 -8.925 4.081 3.207 1.00 0.00 C ATOM 97 CD ARG A 7 -9.520 4.623 4.521 1.00 0.00 C ATOM 98 NE ARG A 7 -10.814 3.996 4.852 1.00 0.00 N ATOM 99 CZ ARG A 7 -10.982 2.845 5.524 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.944 2.140 5.958 1.00 0.00 N ATOM 101 NH2 ARG A 7 -12.209 2.409 5.761 1.00 0.00 N ATOM 0 H ARG A 7 -8.427 5.406 0.546 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.487 6.755 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.143 4.231 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.932 4.767 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.655 4.199 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.737 3.013 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.816 4.449 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.652 5.702 4.439 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.657 4.480 4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.995 2.470 5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.096 1.269 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.013 2.945 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.351 1.537 6.270 1.00 0.00 H new ATOM 115 N VAL A 8 -5.517 6.659 1.524 1.00 0.00 N ATOM 116 CA VAL A 8 -4.160 7.258 1.465 1.00 0.00 C ATOM 117 C VAL A 8 -4.228 8.777 1.220 1.00 0.00 C ATOM 118 O VAL A 8 -3.458 9.535 1.801 1.00 0.00 O ATOM 119 CB VAL A 8 -3.281 6.566 0.354 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.912 7.280 0.162 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.071 5.068 0.686 1.00 0.00 C ATOM 0 H VAL A 8 -5.679 5.950 0.809 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.689 7.089 2.433 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.823 6.648 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.341 6.769 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.080 8.315 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.355 7.257 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.462 4.605 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.565 4.976 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.038 4.567 0.736 1.00 0.00 H new ATOM 131 N ALA A 9 -5.176 9.194 0.373 1.00 0.00 N ATOM 132 CA ALA A 9 -5.427 10.606 0.038 1.00 0.00 C ATOM 133 C ALA A 9 -5.816 11.418 1.289 1.00 0.00 C ATOM 134 O ALA A 9 -5.291 12.513 1.524 1.00 0.00 O ATOM 135 CB ALA A 9 -6.542 10.678 -1.019 1.00 0.00 C ATOM 0 H ALA A 9 -5.803 8.550 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.512 11.043 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.735 11.720 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.231 10.138 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.451 10.227 -0.620 1.00 0.00 H new ATOM 141 N THR A 10 -6.743 10.851 2.080 1.00 0.00 N ATOM 142 CA THR A 10 -7.164 11.415 3.376 1.00 0.00 C ATOM 143 C THR A 10 -5.980 11.461 4.360 1.00 0.00 C ATOM 144 O THR A 10 -5.789 12.448 5.075 1.00 0.00 O ATOM 145 CB THR A 10 -8.337 10.583 3.992 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.348 10.386 2.993 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.966 11.270 5.228 1.00 0.00 C ATOM 0 H THR A 10 -7.224 9.985 1.838 1.00 0.00 H new ATOM 0 HA THR A 10 -7.514 12.432 3.199 1.00 0.00 H new ATOM 0 HB THR A 10 -7.926 9.629 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.074 9.665 2.388 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.775 10.651 5.616 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.206 11.399 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.361 12.245 4.941 1.00 0.00 H new ATOM 155 N ILE A 11 -5.171 10.384 4.351 1.00 0.00 N ATOM 156 CA ILE A 11 -3.964 10.251 5.188 1.00 0.00 C ATOM 157 C ILE A 11 -2.941 11.360 4.866 1.00 0.00 C ATOM 158 O ILE A 11 -2.381 11.949 5.774 1.00 0.00 O ATOM 159 CB ILE A 11 -3.326 8.808 5.030 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.245 7.741 5.717 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.875 8.737 5.568 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.826 6.287 5.525 1.00 0.00 C ATOM 0 H ILE A 11 -5.340 9.573 3.756 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.258 10.371 6.231 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.263 8.587 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.280 7.952 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.259 7.861 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.487 7.727 5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.249 9.442 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.867 8.992 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.530 5.634 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.821 6.047 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.827 6.139 5.935 1.00 0.00 H new ATOM 174 N ILE A 12 -2.760 11.673 3.578 1.00 0.00 N ATOM 175 CA ILE A 12 -1.797 12.692 3.116 1.00 0.00 C ATOM 176 C ILE A 12 -2.262 14.103 3.532 1.00 0.00 C ATOM 177 O ILE A 12 -1.462 14.917 4.029 1.00 0.00 O ATOM 178 CB ILE A 12 -1.601 12.585 1.551 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.827 11.270 1.199 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.896 13.829 0.954 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.570 11.037 -0.278 1.00 0.00 C ATOM 0 H ILE A 12 -3.277 11.228 2.820 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.832 12.510 3.590 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.591 12.548 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.131 11.283 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.390 10.422 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.787 13.703 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.493 14.718 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.089 13.942 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.029 10.100 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.521 10.985 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.024 11.859 -0.678 1.00 0.00 H new ATOM 193 N ALA A 13 -3.562 14.362 3.331 1.00 0.00 N ATOM 194 CA ALA A 13 -4.213 15.622 3.717 1.00 0.00 C ATOM 195 C ALA A 13 -4.074 15.925 5.228 1.00 0.00 C ATOM 196 O ALA A 13 -3.815 17.072 5.613 1.00 0.00 O ATOM 197 CB ALA A 13 -5.695 15.583 3.306 1.00 0.00 C ATOM 0 H ALA A 13 -4.197 13.696 2.892 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.706 16.431 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.177 16.518 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.770 15.452 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.190 14.751 3.807 1.00 0.00 H new ATOM 203 N GLU A 14 -4.239 14.887 6.066 1.00 0.00 N ATOM 204 CA GLU A 14 -4.206 15.024 7.539 1.00 0.00 C ATOM 205 C GLU A 14 -2.772 14.956 8.123 1.00 0.00 C ATOM 206 O GLU A 14 -2.500 15.591 9.147 1.00 0.00 O ATOM 207 CB GLU A 14 -5.103 13.939 8.190 1.00 0.00 C ATOM 208 CG GLU A 14 -6.586 13.971 7.756 1.00 0.00 C ATOM 209 CD GLU A 14 -7.276 15.322 8.009 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.597 15.629 9.177 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.507 16.087 7.044 1.00 0.00 O ATOM 0 H GLU A 14 -4.399 13.932 5.747 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.591 16.016 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.692 12.958 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.055 14.051 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.650 13.734 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.128 13.191 8.290 1.00 0.00 H new ATOM 218 N THR A 15 -1.869 14.187 7.485 1.00 0.00 N ATOM 219 CA THR A 15 -0.496 13.968 8.008 1.00 0.00 C ATOM 220 C THR A 15 0.436 15.141 7.641 1.00 0.00 C ATOM 221 O THR A 15 1.081 15.723 8.518 1.00 0.00 O ATOM 222 CB THR A 15 0.113 12.617 7.489 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.703 11.520 7.937 1.00 0.00 O ATOM 224 CG2 THR A 15 1.559 12.389 7.961 1.00 0.00 C ATOM 0 H THR A 15 -2.060 13.705 6.607 1.00 0.00 H new ATOM 0 HA THR A 15 -0.576 13.912 9.094 1.00 0.00 H new ATOM 0 HB THR A 15 0.130 12.675 6.401 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.449 11.392 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.924 11.439 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.192 13.198 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.587 12.367 9.050 1.00 0.00 H new ATOM 232 N CYS A 16 0.487 15.487 6.341 1.00 0.00 N ATOM 233 CA CYS A 16 1.452 16.473 5.803 1.00 0.00 C ATOM 234 C CYS A 16 0.803 17.849 5.560 1.00 0.00 C ATOM 235 O CYS A 16 1.511 18.798 5.192 1.00 0.00 O ATOM 236 CB CYS A 16 2.075 15.923 4.500 1.00 0.00 C ATOM 237 SG CYS A 16 3.055 14.435 4.761 1.00 0.00 S ATOM 0 H CYS A 16 -0.135 15.095 5.634 1.00 0.00 H new ATOM 0 HA CYS A 16 2.234 16.623 6.547 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.280 15.707 3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.705 16.692 4.052 1.00 0.00 H new ATOM 0 HG CYS A 16 2.366 13.578 5.454 1.00 0.00 H new ATOM 243 N ASP A 17 -0.533 17.942 5.786 1.00 0.00 N ATOM 244 CA ASP A 17 -1.334 19.175 5.586 1.00 0.00 C ATOM 245 C ASP A 17 -1.297 19.631 4.107 1.00 0.00 C ATOM 246 O ASP A 17 -0.906 20.756 3.777 1.00 0.00 O ATOM 247 CB ASP A 17 -0.894 20.291 6.590 1.00 0.00 C ATOM 248 CG ASP A 17 -1.788 21.548 6.575 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.017 21.419 6.767 1.00 0.00 O ATOM 250 OD2 ASP A 17 -1.267 22.672 6.394 1.00 0.00 O ATOM 0 H ASP A 17 -1.089 17.153 6.116 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.379 18.956 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.889 19.875 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.130 20.585 6.362 1.00 0.00 H new ATOM 255 N ILE A 18 -1.660 18.698 3.215 1.00 0.00 N ATOM 256 CA ILE A 18 -1.804 18.957 1.761 1.00 0.00 C ATOM 257 C ILE A 18 -3.313 19.064 1.434 1.00 0.00 C ATOM 258 O ILE A 18 -4.104 18.271 1.956 1.00 0.00 O ATOM 259 CB ILE A 18 -1.084 17.822 0.887 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.444 18.122 0.669 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.766 17.588 -0.490 1.00 0.00 C ATOM 262 CD1 ILE A 18 1.265 18.307 1.919 1.00 0.00 C ATOM 0 H ILE A 18 -1.865 17.734 3.476 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.310 19.894 1.504 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.187 16.908 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.876 17.304 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.534 19.023 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.232 16.808 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.800 17.279 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.745 18.512 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.301 18.508 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.871 19.146 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.218 17.401 2.523 1.00 0.00 H new ATOM 274 N PRO A 19 -3.741 20.051 0.582 1.00 0.00 N ATOM 275 CA PRO A 19 -5.155 20.202 0.191 1.00 0.00 C ATOM 276 C PRO A 19 -5.619 19.069 -0.762 1.00 0.00 C ATOM 277 O PRO A 19 -4.930 18.737 -1.734 1.00 0.00 O ATOM 278 CB PRO A 19 -5.203 21.599 -0.481 1.00 0.00 C ATOM 279 CG PRO A 19 -3.818 21.817 -1.014 1.00 0.00 C ATOM 280 CD PRO A 19 -2.882 21.091 -0.059 1.00 0.00 C ATOM 0 HA PRO A 19 -5.836 20.128 1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.943 21.628 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.477 22.373 0.236 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.723 21.425 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.581 22.880 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.043 20.642 -0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.463 21.772 0.682 1.00 0.00 H new ATOM 288 N ARG A 20 -6.789 18.485 -0.451 1.00 0.00 N ATOM 289 CA ARG A 20 -7.399 17.367 -1.212 1.00 0.00 C ATOM 290 C ARG A 20 -7.617 17.718 -2.709 1.00 0.00 C ATOM 291 O ARG A 20 -7.606 16.827 -3.563 1.00 0.00 O ATOM 292 CB ARG A 20 -8.738 16.944 -0.529 1.00 0.00 C ATOM 293 CG ARG A 20 -9.450 15.711 -1.145 1.00 0.00 C ATOM 294 CD ARG A 20 -8.638 14.402 -1.045 1.00 0.00 C ATOM 295 NE ARG A 20 -9.384 13.250 -1.607 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.753 12.138 -0.940 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.447 11.964 0.350 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.417 11.186 -1.588 1.00 0.00 N ATOM 0 H ARG A 20 -7.351 18.777 0.348 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.704 16.527 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.538 16.737 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.424 17.790 -0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.409 15.571 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.664 15.914 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.693 14.518 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.394 14.204 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.643 13.304 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.923 12.682 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.737 11.114 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.641 11.303 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.703 10.339 -1.097 1.00 0.00 H new ATOM 312 N GLU A 21 -7.775 19.022 -3.016 1.00 0.00 N ATOM 313 CA GLU A 21 -7.982 19.528 -4.397 1.00 0.00 C ATOM 314 C GLU A 21 -6.766 19.239 -5.310 1.00 0.00 C ATOM 315 O GLU A 21 -6.925 19.036 -6.521 1.00 0.00 O ATOM 316 CB GLU A 21 -8.278 21.051 -4.339 1.00 0.00 C ATOM 317 CG GLU A 21 -7.136 21.892 -3.731 1.00 0.00 C ATOM 318 CD GLU A 21 -7.517 23.359 -3.500 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.194 23.652 -2.492 1.00 0.00 O ATOM 320 OE2 GLU A 21 -7.162 24.228 -4.328 1.00 0.00 O ATOM 0 H GLU A 21 -7.763 19.760 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.832 19.003 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.481 21.409 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.184 21.212 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.834 21.449 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.271 21.849 -4.393 1.00 0.00 H new ATOM 327 N THR A 22 -5.556 19.218 -4.711 1.00 0.00 N ATOM 328 CA THR A 22 -4.299 18.928 -5.434 1.00 0.00 C ATOM 329 C THR A 22 -3.955 17.422 -5.378 1.00 0.00 C ATOM 330 O THR A 22 -2.967 16.978 -5.971 1.00 0.00 O ATOM 331 CB THR A 22 -3.118 19.755 -4.834 1.00 0.00 C ATOM 332 OG1 THR A 22 -2.920 19.416 -3.451 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.358 21.270 -4.950 1.00 0.00 C ATOM 0 H THR A 22 -5.423 19.401 -3.716 1.00 0.00 H new ATOM 0 HA THR A 22 -4.447 19.213 -6.476 1.00 0.00 H new ATOM 0 HB THR A 22 -2.228 19.503 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.753 19.058 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.512 21.806 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.465 21.542 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.268 21.537 -4.412 1.00 0.00 H new ATOM 341 N ILE A 23 -4.780 16.656 -4.642 1.00 0.00 N ATOM 342 CA ILE A 23 -4.638 15.204 -4.504 1.00 0.00 C ATOM 343 C ILE A 23 -5.479 14.518 -5.600 1.00 0.00 C ATOM 344 O ILE A 23 -6.709 14.433 -5.502 1.00 0.00 O ATOM 345 CB ILE A 23 -5.075 14.722 -3.068 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.133 15.323 -1.976 1.00 0.00 C ATOM 347 CG2 ILE A 23 -5.117 13.181 -2.976 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.481 14.945 -0.541 1.00 0.00 C ATOM 0 H ILE A 23 -5.571 17.036 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.590 14.930 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.086 15.087 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.112 15.002 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.149 16.409 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.422 12.885 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.831 12.793 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.127 12.777 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.770 15.411 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.488 15.291 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.435 13.862 -0.429 1.00 0.00 H new ATOM 360 N THR A 24 -4.795 14.097 -6.668 1.00 0.00 N ATOM 361 CA THR A 24 -5.377 13.335 -7.789 1.00 0.00 C ATOM 362 C THR A 24 -4.611 11.998 -7.951 1.00 0.00 C ATOM 363 O THR A 24 -3.504 11.872 -7.417 1.00 0.00 O ATOM 364 CB THR A 24 -5.308 14.163 -9.124 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.976 14.632 -9.368 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.273 15.352 -9.134 1.00 0.00 C ATOM 0 H THR A 24 -3.798 14.278 -6.785 1.00 0.00 H new ATOM 0 HA THR A 24 -6.426 13.132 -7.571 1.00 0.00 H new ATOM 0 HB THR A 24 -5.610 13.481 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.434 14.512 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.182 15.887 -10.079 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.295 14.992 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.030 16.025 -8.312 1.00 0.00 H new ATOM 374 N PRO A 25 -5.180 10.968 -8.673 1.00 0.00 N ATOM 375 CA PRO A 25 -4.460 9.697 -8.959 1.00 0.00 C ATOM 376 C PRO A 25 -3.112 9.902 -9.692 1.00 0.00 C ATOM 377 O PRO A 25 -2.207 9.081 -9.554 1.00 0.00 O ATOM 378 CB PRO A 25 -5.465 8.883 -9.822 1.00 0.00 C ATOM 379 CG PRO A 25 -6.805 9.449 -9.459 1.00 0.00 C ATOM 380 CD PRO A 25 -6.568 10.924 -9.216 1.00 0.00 C ATOM 0 HA PRO A 25 -4.175 9.188 -8.039 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.260 8.997 -10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.409 7.817 -9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.527 9.294 -10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.208 8.964 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.658 11.502 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.289 11.335 -8.509 1.00 0.00 H new ATOM 388 N GLU A 26 -2.970 11.036 -10.419 1.00 0.00 N ATOM 389 CA GLU A 26 -1.752 11.356 -11.204 1.00 0.00 C ATOM 390 C GLU A 26 -0.768 12.240 -10.407 1.00 0.00 C ATOM 391 O GLU A 26 0.247 12.684 -10.959 1.00 0.00 O ATOM 392 CB GLU A 26 -2.126 12.065 -12.541 1.00 0.00 C ATOM 393 CG GLU A 26 -2.932 13.391 -12.400 1.00 0.00 C ATOM 394 CD GLU A 26 -4.442 13.214 -12.623 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.072 12.436 -11.883 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.004 13.840 -13.544 1.00 0.00 O ATOM 0 H GLU A 26 -3.693 11.753 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.258 10.409 -11.423 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.207 12.276 -13.088 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.707 11.371 -13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.765 13.805 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.549 14.118 -13.116 1.00 0.00 H new ATOM 403 N SER A 27 -1.062 12.478 -9.114 1.00 0.00 N ATOM 404 CA SER A 27 -0.199 13.296 -8.235 1.00 0.00 C ATOM 405 C SER A 27 0.957 12.443 -7.710 1.00 0.00 C ATOM 406 O SER A 27 0.739 11.336 -7.221 1.00 0.00 O ATOM 407 CB SER A 27 -0.995 13.880 -7.045 1.00 0.00 C ATOM 408 OG SER A 27 -1.989 14.774 -7.493 1.00 0.00 O ATOM 0 H SER A 27 -1.895 12.114 -8.652 1.00 0.00 H new ATOM 0 HA SER A 27 0.190 14.128 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.457 13.071 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.316 14.396 -6.366 1.00 0.00 H new ATOM 0 HG SER A 27 -2.172 15.436 -6.794 1.00 0.00 H new ATOM 414 N HIS A 28 2.179 12.957 -7.845 1.00 0.00 N ATOM 415 CA HIS A 28 3.383 12.332 -7.304 1.00 0.00 C ATOM 416 C HIS A 28 3.637 12.905 -5.902 1.00 0.00 C ATOM 417 O HIS A 28 3.690 14.121 -5.754 1.00 0.00 O ATOM 418 CB HIS A 28 4.575 12.622 -8.237 1.00 0.00 C ATOM 419 CG HIS A 28 5.798 11.814 -7.919 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.641 12.151 -6.888 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.266 10.707 -8.523 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.597 11.249 -6.905 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.418 10.353 -7.885 1.00 0.00 N ATOM 0 H HIS A 28 2.362 13.830 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 28 3.258 11.251 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.276 12.424 -9.266 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.824 13.681 -8.176 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.813 10.194 -9.358 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.426 11.232 -6.213 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.023 9.563 -8.109 1.00 0.00 H new ATOM 431 N ALA A 29 3.770 12.038 -4.886 1.00 0.00 N ATOM 432 CA ALA A 29 3.943 12.434 -3.474 1.00 0.00 C ATOM 433 C ALA A 29 5.097 13.432 -3.267 1.00 0.00 C ATOM 434 O ALA A 29 4.948 14.407 -2.533 1.00 0.00 O ATOM 435 CB ALA A 29 4.146 11.182 -2.596 1.00 0.00 C ATOM 0 H ALA A 29 3.761 11.027 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 29 3.031 12.949 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.273 11.483 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.275 10.532 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.034 10.644 -2.929 1.00 0.00 H new ATOM 441 N ILE A 30 6.212 13.238 -3.988 1.00 0.00 N ATOM 442 CA ILE A 30 7.451 13.994 -3.740 1.00 0.00 C ATOM 443 C ILE A 30 7.543 15.197 -4.701 1.00 0.00 C ATOM 444 O ILE A 30 7.809 16.330 -4.277 1.00 0.00 O ATOM 445 CB ILE A 30 8.728 13.078 -3.882 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.567 11.762 -3.047 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.005 13.835 -3.440 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.764 10.818 -3.119 1.00 0.00 C ATOM 0 H ILE A 30 6.282 12.563 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 30 7.419 14.360 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 30 8.829 12.812 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.391 12.027 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.680 11.232 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.871 13.182 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.138 14.719 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.906 14.138 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.567 9.934 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.930 10.519 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.651 11.326 -2.742 1.00 0.00 H new ATOM 460 N ASP A 31 7.262 14.938 -5.981 1.00 0.00 N ATOM 461 CA ASP A 31 7.464 15.907 -7.076 1.00 0.00 C ATOM 462 C ASP A 31 6.315 16.932 -7.138 1.00 0.00 C ATOM 463 O ASP A 31 6.544 18.120 -7.391 1.00 0.00 O ATOM 464 CB ASP A 31 7.581 15.140 -8.422 1.00 0.00 C ATOM 465 CG ASP A 31 7.794 16.060 -9.642 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.963 16.351 -9.987 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.801 16.492 -10.262 1.00 0.00 O ATOM 0 H ASP A 31 6.884 14.044 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 31 8.384 16.460 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.411 14.437 -8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.676 14.552 -8.575 1.00 0.00 H new ATOM 472 N ASP A 32 5.083 16.453 -6.910 1.00 0.00 N ATOM 473 CA ASP A 32 3.854 17.251 -7.113 1.00 0.00 C ATOM 474 C ASP A 32 3.301 17.776 -5.783 1.00 0.00 C ATOM 475 O ASP A 32 3.078 18.978 -5.626 1.00 0.00 O ATOM 476 CB ASP A 32 2.797 16.395 -7.850 1.00 0.00 C ATOM 477 CG ASP A 32 1.527 17.172 -8.228 1.00 0.00 C ATOM 478 OD1 ASP A 32 1.614 18.067 -9.099 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.439 16.890 -7.678 1.00 0.00 O ATOM 0 H ASP A 32 4.906 15.504 -6.580 1.00 0.00 H new ATOM 0 HA ASP A 32 4.101 18.119 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.243 15.983 -8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.521 15.551 -7.218 1.00 0.00 H new ATOM 484 N LEU A 33 3.090 16.858 -4.823 1.00 0.00 N ATOM 485 CA LEU A 33 2.544 17.192 -3.494 1.00 0.00 C ATOM 486 C LEU A 33 3.618 17.855 -2.598 1.00 0.00 C ATOM 487 O LEU A 33 3.288 18.416 -1.549 1.00 0.00 O ATOM 488 CB LEU A 33 1.977 15.923 -2.806 1.00 0.00 C ATOM 489 CG LEU A 33 0.856 15.151 -3.579 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.437 13.877 -2.817 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.364 16.055 -3.874 1.00 0.00 C ATOM 0 H LEU A 33 3.292 15.866 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 33 1.734 17.907 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.803 15.235 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.583 16.211 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 33 1.271 14.848 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.343 13.359 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.300 13.220 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.058 14.150 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.120 15.482 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.783 16.418 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.050 16.903 -4.483 1.00 0.00 H new ATOM 503 N GLY A 34 4.898 17.780 -3.040 1.00 0.00 N ATOM 504 CA GLY A 34 6.029 18.416 -2.346 1.00 0.00 C ATOM 505 C GLY A 34 6.325 17.813 -0.976 1.00 0.00 C ATOM 506 O GLY A 34 6.725 18.523 -0.046 1.00 0.00 O ATOM 0 H GLY A 34 5.167 17.277 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.919 18.334 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.820 19.479 -2.228 1.00 0.00 H new ATOM 510 N ILE A 35 6.138 16.494 -0.870 1.00 0.00 N ATOM 511 CA ILE A 35 6.320 15.727 0.375 1.00 0.00 C ATOM 512 C ILE A 35 7.577 14.871 0.237 1.00 0.00 C ATOM 513 O ILE A 35 7.633 14.009 -0.640 1.00 0.00 O ATOM 514 CB ILE A 35 5.081 14.791 0.632 1.00 0.00 C ATOM 515 CG1 ILE A 35 3.774 15.632 0.717 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.273 13.913 1.895 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.510 14.807 0.788 1.00 0.00 C ATOM 0 H ILE A 35 5.851 15.915 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 35 6.415 16.417 1.214 1.00 0.00 H new ATOM 0 HB ILE A 35 4.995 14.109 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.825 16.274 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.719 16.286 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.395 13.282 2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.155 13.285 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.403 14.554 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.646 15.469 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.432 14.184 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.539 14.172 1.673 1.00 0.00 H new ATOM 529 N ASP A 36 8.573 15.082 1.103 1.00 0.00 N ATOM 530 CA ASP A 36 9.827 14.307 1.050 1.00 0.00 C ATOM 531 C ASP A 36 9.611 12.931 1.681 1.00 0.00 C ATOM 532 O ASP A 36 8.588 12.688 2.325 1.00 0.00 O ATOM 533 CB ASP A 36 10.970 15.047 1.786 1.00 0.00 C ATOM 534 CG ASP A 36 11.316 16.387 1.128 1.00 0.00 C ATOM 535 OD1 ASP A 36 10.641 17.394 1.421 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.252 16.444 0.300 1.00 0.00 O ATOM 0 H ASP A 36 8.541 15.778 1.848 1.00 0.00 H new ATOM 0 HA ASP A 36 10.113 14.190 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.680 15.218 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.857 14.414 1.804 1.00 0.00 H new ATOM 541 N SER A 37 10.602 12.061 1.481 1.00 0.00 N ATOM 542 CA SER A 37 10.707 10.720 2.099 1.00 0.00 C ATOM 543 C SER A 37 10.453 10.770 3.626 1.00 0.00 C ATOM 544 O SER A 37 9.733 9.937 4.168 1.00 0.00 O ATOM 545 CB SER A 37 12.135 10.215 1.841 1.00 0.00 C ATOM 546 OG SER A 37 13.054 11.284 2.202 1.00 0.00 O ATOM 0 H SER A 37 11.387 12.270 0.863 1.00 0.00 H new ATOM 0 HA SER A 37 9.955 10.060 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.337 9.321 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.260 9.940 0.794 1.00 0.00 H new ATOM 551 N LEU A 38 11.065 11.788 4.271 1.00 0.00 N ATOM 552 CA LEU A 38 10.997 12.025 5.730 1.00 0.00 C ATOM 553 C LEU A 38 9.540 12.178 6.211 1.00 0.00 C ATOM 554 O LEU A 38 9.135 11.559 7.195 1.00 0.00 O ATOM 555 CB LEU A 38 11.820 13.289 6.094 1.00 0.00 C ATOM 556 CG LEU A 38 13.306 13.284 5.616 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.022 14.590 5.999 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.068 12.043 6.144 1.00 0.00 C ATOM 0 H LEU A 38 11.631 12.481 3.782 1.00 0.00 H new ATOM 0 HA LEU A 38 11.421 11.158 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.322 14.160 5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.805 13.411 7.177 1.00 0.00 H new ATOM 0 HG LEU A 38 13.299 13.222 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.055 14.554 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.512 15.434 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.008 14.709 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.099 12.072 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.057 12.046 7.234 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.585 11.137 5.778 1.00 0.00 H new ATOM 570 N ASP A 39 8.768 12.990 5.474 1.00 0.00 N ATOM 571 CA ASP A 39 7.345 13.269 5.780 1.00 0.00 C ATOM 572 C ASP A 39 6.475 12.079 5.359 1.00 0.00 C ATOM 573 O ASP A 39 5.463 11.764 6.001 1.00 0.00 O ATOM 574 CB ASP A 39 6.878 14.550 5.044 1.00 0.00 C ATOM 575 CG ASP A 39 7.822 15.737 5.255 1.00 0.00 C ATOM 576 OD1 ASP A 39 7.668 16.467 6.260 1.00 0.00 O ATOM 577 OD2 ASP A 39 8.727 15.943 4.418 1.00 0.00 O ATOM 0 H ASP A 39 9.108 13.477 4.645 1.00 0.00 H new ATOM 0 HA ASP A 39 7.242 13.424 6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.798 14.341 3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.881 14.819 5.392 1.00 0.00 H new ATOM 582 N PHE A 40 6.912 11.409 4.279 1.00 0.00 N ATOM 583 CA PHE A 40 6.222 10.260 3.695 1.00 0.00 C ATOM 584 C PHE A 40 6.361 9.024 4.611 1.00 0.00 C ATOM 585 O PHE A 40 5.573 8.089 4.490 1.00 0.00 O ATOM 586 CB PHE A 40 6.755 9.971 2.267 1.00 0.00 C ATOM 587 CG PHE A 40 5.909 8.967 1.491 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.731 9.372 0.865 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.272 7.621 1.403 1.00 0.00 C ATOM 590 CE1 PHE A 40 3.948 8.472 0.180 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.488 6.719 0.715 1.00 0.00 C ATOM 592 CZ PHE A 40 4.328 7.145 0.104 1.00 0.00 C ATOM 0 H PHE A 40 7.768 11.659 3.784 1.00 0.00 H new ATOM 0 HA PHE A 40 5.161 10.495 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.798 10.906 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.776 9.595 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.429 10.407 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.179 7.282 1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.037 8.802 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.782 5.682 0.655 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.714 6.440 -0.436 1.00 0.00 H new ATOM 602 N LEU A 41 7.381 9.029 5.513 1.00 0.00 N ATOM 603 CA LEU A 41 7.521 8.004 6.573 1.00 0.00 C ATOM 604 C LEU A 41 6.241 7.982 7.416 1.00 0.00 C ATOM 605 O LEU A 41 5.589 6.950 7.528 1.00 0.00 O ATOM 606 CB LEU A 41 8.749 8.279 7.492 1.00 0.00 C ATOM 607 CG LEU A 41 10.150 8.226 6.812 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.278 8.536 7.824 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.384 6.872 6.094 1.00 0.00 C ATOM 0 H LEU A 41 8.117 9.735 5.523 1.00 0.00 H new ATOM 0 HA LEU A 41 7.681 7.038 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.625 9.264 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.736 7.553 8.305 1.00 0.00 H new ATOM 0 HG LEU A 41 10.173 9.003 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.243 8.491 7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.131 9.534 8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.256 7.802 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.371 6.871 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.322 6.060 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.623 6.731 5.326 1.00 0.00 H new ATOM 621 N ASP A 42 5.860 9.172 7.932 1.00 0.00 N ATOM 622 CA ASP A 42 4.662 9.353 8.786 1.00 0.00 C ATOM 623 C ASP A 42 3.373 9.001 8.019 1.00 0.00 C ATOM 624 O ASP A 42 2.425 8.469 8.603 1.00 0.00 O ATOM 625 CB ASP A 42 4.593 10.803 9.327 1.00 0.00 C ATOM 626 CG ASP A 42 5.799 11.160 10.211 1.00 0.00 C ATOM 627 OD1 ASP A 42 5.745 10.933 11.438 1.00 0.00 O ATOM 628 OD2 ASP A 42 6.818 11.647 9.676 1.00 0.00 O ATOM 0 H ASP A 42 6.375 10.037 7.768 1.00 0.00 H new ATOM 0 HA ASP A 42 4.747 8.670 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.543 11.498 8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.675 10.930 9.902 1.00 0.00 H new ATOM 633 N ILE A 43 3.357 9.292 6.704 1.00 0.00 N ATOM 634 CA ILE A 43 2.258 8.870 5.812 1.00 0.00 C ATOM 635 C ILE A 43 2.194 7.331 5.751 1.00 0.00 C ATOM 636 O ILE A 43 1.130 6.748 5.928 1.00 0.00 O ATOM 637 CB ILE A 43 2.421 9.455 4.357 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.398 11.017 4.378 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.340 8.901 3.382 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.557 11.667 3.010 1.00 0.00 C ATOM 0 H ILE A 43 4.094 9.819 6.235 1.00 0.00 H new ATOM 0 HA ILE A 43 1.329 9.264 6.225 1.00 0.00 H new ATOM 0 HB ILE A 43 3.392 9.128 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.457 11.348 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.196 11.371 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.490 9.330 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.424 7.816 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.349 9.169 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.530 12.751 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.511 11.369 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.744 11.346 2.358 1.00 0.00 H new ATOM 652 N ALA A 44 3.366 6.693 5.579 1.00 0.00 N ATOM 653 CA ALA A 44 3.480 5.241 5.350 1.00 0.00 C ATOM 654 C ALA A 44 3.233 4.443 6.646 1.00 0.00 C ATOM 655 O ALA A 44 2.863 3.277 6.575 1.00 0.00 O ATOM 656 CB ALA A 44 4.866 4.909 4.763 1.00 0.00 C ATOM 0 H ALA A 44 4.266 7.173 5.595 1.00 0.00 H new ATOM 0 HA ALA A 44 2.711 4.948 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.943 3.835 4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.995 5.433 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.642 5.224 5.461 1.00 0.00 H new ATOM 662 N PHE A 45 3.469 5.087 7.814 1.00 0.00 N ATOM 663 CA PHE A 45 3.133 4.529 9.144 1.00 0.00 C ATOM 664 C PHE A 45 1.615 4.562 9.354 1.00 0.00 C ATOM 665 O PHE A 45 1.047 3.642 9.938 1.00 0.00 O ATOM 666 CB PHE A 45 3.855 5.302 10.295 1.00 0.00 C ATOM 667 CG PHE A 45 5.304 4.871 10.538 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.585 3.671 11.187 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.377 5.653 10.124 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.891 3.276 11.415 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.681 5.258 10.350 1.00 0.00 C ATOM 672 CZ PHE A 45 7.936 4.068 10.992 1.00 0.00 C ATOM 0 H PHE A 45 3.899 6.011 7.859 1.00 0.00 H new ATOM 0 HA PHE A 45 3.482 3.497 9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.840 6.367 10.065 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.290 5.167 11.217 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.772 3.041 11.517 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.187 6.587 9.616 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.092 2.346 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.499 5.882 10.023 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.955 3.755 11.164 1.00 0.00 H new ATOM 682 N ALA A 46 0.969 5.633 8.865 1.00 0.00 N ATOM 683 CA ALA A 46 -0.496 5.781 8.951 1.00 0.00 C ATOM 684 C ALA A 46 -1.203 4.788 8.005 1.00 0.00 C ATOM 685 O ALA A 46 -2.274 4.277 8.324 1.00 0.00 O ATOM 686 CB ALA A 46 -0.898 7.232 8.653 1.00 0.00 C ATOM 0 H ALA A 46 1.439 6.412 8.404 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.816 5.545 9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.982 7.330 8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.428 7.896 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.570 7.502 7.649 1.00 0.00 H new ATOM 692 N ILE A 47 -0.570 4.521 6.846 1.00 0.00 N ATOM 693 CA ILE A 47 -1.034 3.506 5.867 1.00 0.00 C ATOM 694 C ILE A 47 -0.826 2.085 6.432 1.00 0.00 C ATOM 695 O ILE A 47 -1.690 1.207 6.299 1.00 0.00 O ATOM 696 CB ILE A 47 -0.265 3.653 4.501 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.543 5.044 3.844 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.616 2.502 3.528 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.307 5.347 2.610 1.00 0.00 C ATOM 0 H ILE A 47 0.281 5.003 6.557 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.097 3.669 5.688 1.00 0.00 H new ATOM 0 HB ILE A 47 0.801 3.590 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.596 5.096 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.371 5.823 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.068 2.634 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.341 1.548 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.687 2.512 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.046 6.331 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.362 5.332 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.119 4.594 1.845 1.00 0.00 H new ATOM 711 N ASP A 48 0.349 1.894 7.050 1.00 0.00 N ATOM 712 CA ASP A 48 0.762 0.643 7.710 1.00 0.00 C ATOM 713 C ASP A 48 -0.310 0.186 8.721 1.00 0.00 C ATOM 714 O ASP A 48 -0.850 -0.921 8.619 1.00 0.00 O ATOM 715 CB ASP A 48 2.136 0.880 8.416 1.00 0.00 C ATOM 716 CG ASP A 48 2.674 -0.317 9.219 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.275 -0.490 10.395 1.00 0.00 O ATOM 718 OD2 ASP A 48 3.518 -1.075 8.701 1.00 0.00 O ATOM 0 H ASP A 48 1.059 2.624 7.107 1.00 0.00 H new ATOM 0 HA ASP A 48 0.870 -0.149 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.873 1.151 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.039 1.733 9.087 1.00 0.00 H new ATOM 723 N LYS A 49 -0.613 1.088 9.662 1.00 0.00 N ATOM 724 CA LYS A 49 -1.577 0.870 10.755 1.00 0.00 C ATOM 725 C LYS A 49 -3.025 0.733 10.233 1.00 0.00 C ATOM 726 O LYS A 49 -3.787 -0.106 10.736 1.00 0.00 O ATOM 727 CB LYS A 49 -1.454 2.047 11.764 1.00 0.00 C ATOM 728 CG LYS A 49 -0.087 2.099 12.492 1.00 0.00 C ATOM 729 CD LYS A 49 0.153 3.415 13.267 1.00 0.00 C ATOM 730 CE LYS A 49 -0.898 3.684 14.359 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.649 4.974 15.049 1.00 0.00 N ATOM 0 H LYS A 49 -0.186 2.014 9.688 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.342 -0.071 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.610 2.987 11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.248 1.963 12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.023 1.261 13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.710 1.968 11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.142 3.383 13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.155 4.247 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.893 3.695 13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.884 2.873 15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.375 5.124 15.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.290 4.953 15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.687 5.750 14.358 1.00 0.00 H new ATOM 745 N ALA A 50 -3.397 1.570 9.237 1.00 0.00 N ATOM 746 CA ALA A 50 -4.737 1.532 8.605 1.00 0.00 C ATOM 747 C ALA A 50 -5.041 0.165 7.960 1.00 0.00 C ATOM 748 O ALA A 50 -5.951 -0.547 8.400 1.00 0.00 O ATOM 749 CB ALA A 50 -4.885 2.660 7.560 1.00 0.00 C ATOM 0 H ALA A 50 -2.782 2.286 8.851 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.465 1.688 9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.877 2.611 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.755 3.626 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.128 2.539 6.785 1.00 0.00 H new ATOM 755 N PHE A 51 -4.237 -0.210 6.951 1.00 0.00 N ATOM 756 CA PHE A 51 -4.477 -1.415 6.130 1.00 0.00 C ATOM 757 C PHE A 51 -3.900 -2.688 6.779 1.00 0.00 C ATOM 758 O PHE A 51 -4.026 -3.777 6.206 1.00 0.00 O ATOM 759 CB PHE A 51 -3.881 -1.211 4.717 1.00 0.00 C ATOM 760 CG PHE A 51 -4.517 -0.078 3.920 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.053 1.230 4.038 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.576 -0.327 3.050 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.625 2.251 3.314 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.145 0.696 2.325 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.669 1.981 2.456 1.00 0.00 C ATOM 0 H PHE A 51 -3.403 0.311 6.680 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.555 -1.557 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.813 -1.016 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.987 -2.138 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.233 1.446 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.955 -1.333 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.257 3.261 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.965 0.490 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.116 2.781 1.884 1.00 0.00 H new ATOM 775 N GLY A 52 -3.253 -2.542 7.960 1.00 0.00 N ATOM 776 CA GLY A 52 -2.697 -3.680 8.710 1.00 0.00 C ATOM 777 C GLY A 52 -1.526 -4.367 8.005 1.00 0.00 C ATOM 778 O GLY A 52 -1.160 -5.495 8.356 1.00 0.00 O ATOM 0 H GLY A 52 -3.106 -1.639 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.367 -3.332 9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.487 -4.412 8.881 1.00 0.00 H new ATOM 782 N ILE A 53 -0.960 -3.688 6.992 1.00 0.00 N ATOM 783 CA ILE A 53 0.151 -4.206 6.169 1.00 0.00 C ATOM 784 C ILE A 53 1.446 -3.504 6.557 1.00 0.00 C ATOM 785 O ILE A 53 1.422 -2.564 7.351 1.00 0.00 O ATOM 786 CB ILE A 53 -0.148 -4.053 4.609 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.715 -2.625 4.236 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.113 -5.164 4.135 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.275 -1.476 4.211 1.00 0.00 C ATOM 0 H ILE A 53 -1.263 -2.754 6.717 1.00 0.00 H new ATOM 0 HA ILE A 53 0.256 -5.273 6.364 1.00 0.00 H new ATOM 0 HB ILE A 53 0.804 -4.159 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.181 -2.692 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.504 -2.377 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.308 -5.046 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.662 -6.140 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.051 -5.090 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.243 -0.555 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.727 -1.363 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.054 -1.683 3.477 1.00 0.00 H new ATOM 801 N LYS A 54 2.575 -4.002 6.040 1.00 0.00 N ATOM 802 CA LYS A 54 3.881 -3.329 6.149 1.00 0.00 C ATOM 803 C LYS A 54 4.331 -2.936 4.742 1.00 0.00 C ATOM 804 O LYS A 54 4.386 -3.794 3.857 1.00 0.00 O ATOM 805 CB LYS A 54 4.952 -4.233 6.846 1.00 0.00 C ATOM 806 CG LYS A 54 4.887 -4.260 8.395 1.00 0.00 C ATOM 807 CD LYS A 54 3.603 -4.922 8.961 1.00 0.00 C ATOM 808 CE LYS A 54 3.410 -4.645 10.459 1.00 0.00 C ATOM 809 NZ LYS A 54 3.349 -3.186 10.748 1.00 0.00 N ATOM 0 H LYS A 54 2.612 -4.886 5.532 1.00 0.00 H new ATOM 0 HA LYS A 54 3.776 -2.443 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.840 -5.252 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.943 -3.892 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.757 -4.795 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.952 -3.238 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.736 -4.554 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.651 -5.999 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.492 -5.122 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.230 -5.093 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.176 -2.910 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.349 -2.655 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.479 -2.973 11.277 1.00 0.00 H new ATOM 823 N LEU A 55 4.603 -1.641 4.520 1.00 0.00 N ATOM 824 CA LEU A 55 5.186 -1.156 3.263 1.00 0.00 C ATOM 825 C LEU A 55 6.721 -1.313 3.323 1.00 0.00 C ATOM 826 O LEU A 55 7.339 -0.752 4.230 1.00 0.00 O ATOM 827 CB LEU A 55 4.814 0.340 3.050 1.00 0.00 C ATOM 828 CG LEU A 55 3.291 0.666 2.934 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.037 2.180 2.736 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.631 -0.159 1.811 1.00 0.00 C ATOM 0 H LEU A 55 4.426 -0.905 5.204 1.00 0.00 H new ATOM 0 HA LEU A 55 4.793 -1.738 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.225 0.916 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.308 0.690 2.144 1.00 0.00 H new ATOM 0 HG LEU A 55 2.828 0.383 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.965 2.362 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.439 2.731 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.528 2.515 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.571 0.088 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.110 0.072 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.744 -1.222 2.025 1.00 0.00 H new ATOM 842 N PRO A 56 7.354 -2.112 2.397 1.00 0.00 N ATOM 843 CA PRO A 56 8.831 -2.161 2.228 1.00 0.00 C ATOM 844 C PRO A 56 9.390 -0.869 1.581 1.00 0.00 C ATOM 845 O PRO A 56 10.088 -0.926 0.565 1.00 0.00 O ATOM 846 CB PRO A 56 9.057 -3.422 1.323 1.00 0.00 C ATOM 847 CG PRO A 56 7.750 -4.155 1.362 1.00 0.00 C ATOM 848 CD PRO A 56 6.699 -3.087 1.499 1.00 0.00 C ATOM 0 HA PRO A 56 9.358 -2.229 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.321 -3.137 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.870 -4.041 1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.600 -4.740 0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.715 -4.851 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.442 -2.644 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.776 -3.478 1.927 1.00 0.00 H new ATOM 856 N LEU A 57 9.126 0.286 2.244 1.00 0.00 N ATOM 857 CA LEU A 57 9.484 1.637 1.744 1.00 0.00 C ATOM 858 C LEU A 57 10.992 1.758 1.550 1.00 0.00 C ATOM 859 O LEU A 57 11.449 2.427 0.627 1.00 0.00 O ATOM 860 CB LEU A 57 8.997 2.769 2.730 1.00 0.00 C ATOM 861 CG LEU A 57 8.018 3.837 2.136 1.00 0.00 C ATOM 862 CD1 LEU A 57 8.644 4.587 0.934 1.00 0.00 C ATOM 863 CD2 LEU A 57 6.665 3.206 1.756 1.00 0.00 C ATOM 0 H LEU A 57 8.655 0.305 3.148 1.00 0.00 H new ATOM 0 HA LEU A 57 8.980 1.767 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.509 2.294 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.875 3.287 3.115 1.00 0.00 H new ATOM 0 HG LEU A 57 7.835 4.575 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.933 5.319 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.552 5.097 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.889 3.873 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.008 3.973 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.823 2.428 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.205 2.770 2.643 1.00 0.00 H new ATOM 875 N GLU A 58 11.737 1.105 2.449 1.00 0.00 N ATOM 876 CA GLU A 58 13.199 1.149 2.465 1.00 0.00 C ATOM 877 C GLU A 58 13.765 0.578 1.146 1.00 0.00 C ATOM 878 O GLU A 58 14.643 1.180 0.522 1.00 0.00 O ATOM 879 CB GLU A 58 13.736 0.363 3.693 1.00 0.00 C ATOM 880 CG GLU A 58 15.174 0.728 4.078 1.00 0.00 C ATOM 881 CD GLU A 58 15.724 -0.059 5.282 1.00 0.00 C ATOM 882 OE1 GLU A 58 15.332 0.240 6.432 1.00 0.00 O ATOM 883 OE2 GLU A 58 16.547 -0.984 5.088 1.00 0.00 O ATOM 0 H GLU A 58 11.338 0.528 3.189 1.00 0.00 H new ATOM 0 HA GLU A 58 13.528 2.185 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.083 0.548 4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.686 -0.705 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.823 0.557 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.219 1.793 4.304 1.00 0.00 H new ATOM 890 N LYS A 59 13.190 -0.561 0.709 1.00 0.00 N ATOM 891 CA LYS A 59 13.571 -1.221 -0.556 1.00 0.00 C ATOM 892 C LYS A 59 13.163 -0.356 -1.754 1.00 0.00 C ATOM 893 O LYS A 59 13.974 -0.121 -2.649 1.00 0.00 O ATOM 894 CB LYS A 59 12.909 -2.619 -0.679 1.00 0.00 C ATOM 895 CG LYS A 59 13.350 -3.427 -1.919 1.00 0.00 C ATOM 896 CD LYS A 59 12.611 -4.778 -2.096 1.00 0.00 C ATOM 897 CE LYS A 59 12.892 -5.808 -0.978 1.00 0.00 C ATOM 898 NZ LYS A 59 12.134 -5.533 0.268 1.00 0.00 N ATOM 0 H LYS A 59 12.453 -1.047 1.220 1.00 0.00 H new ATOM 0 HA LYS A 59 14.654 -1.347 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.139 -3.196 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.827 -2.494 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.190 -2.819 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.421 -3.618 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.538 -4.589 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.897 -5.212 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.639 -6.805 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.959 -5.811 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.795 -5.264 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.463 -4.756 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.611 -6.386 0.552 1.00 0.00 H new ATOM 912 N TRP A 60 11.901 0.123 -1.720 1.00 0.00 N ATOM 913 CA TRP A 60 11.284 0.913 -2.806 1.00 0.00 C ATOM 914 C TRP A 60 12.120 2.162 -3.125 1.00 0.00 C ATOM 915 O TRP A 60 12.417 2.443 -4.288 1.00 0.00 O ATOM 916 CB TRP A 60 9.838 1.335 -2.423 1.00 0.00 C ATOM 917 CG TRP A 60 8.852 0.197 -2.241 1.00 0.00 C ATOM 918 CD1 TRP A 60 9.068 -1.143 -2.418 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.476 0.324 -1.854 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.922 -1.841 -2.149 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.932 -0.969 -1.817 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.648 1.412 -1.550 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.612 -1.214 -1.464 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.331 1.168 -1.201 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.822 -0.139 -1.166 1.00 0.00 C ATOM 0 H TRP A 60 11.276 -0.030 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 60 11.248 0.282 -3.694 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.879 1.909 -1.497 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.457 2.003 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.005 -1.584 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.825 -2.856 -2.191 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.030 2.422 -1.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.222 -2.220 -1.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.685 1.997 -0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.788 -0.299 -0.899 1.00 0.00 H new ATOM 936 N THR A 61 12.534 2.858 -2.057 1.00 0.00 N ATOM 937 CA THR A 61 13.299 4.102 -2.148 1.00 0.00 C ATOM 938 C THR A 61 14.758 3.822 -2.578 1.00 0.00 C ATOM 939 O THR A 61 15.369 4.651 -3.254 1.00 0.00 O ATOM 940 CB THR A 61 13.243 4.895 -0.801 1.00 0.00 C ATOM 941 OG1 THR A 61 11.870 5.139 -0.439 1.00 0.00 O ATOM 942 CG2 THR A 61 13.979 6.243 -0.878 1.00 0.00 C ATOM 0 H THR A 61 12.344 2.567 -1.098 1.00 0.00 H new ATOM 0 HA THR A 61 12.841 4.726 -2.916 1.00 0.00 H new ATOM 0 HB THR A 61 13.742 4.282 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.488 4.330 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.909 6.751 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.027 6.072 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.523 6.863 -1.650 1.00 0.00 H new ATOM 950 N GLN A 62 15.305 2.626 -2.245 1.00 0.00 N ATOM 951 CA GLN A 62 16.653 2.222 -2.708 1.00 0.00 C ATOM 952 C GLN A 62 16.630 1.983 -4.225 1.00 0.00 C ATOM 953 O GLN A 62 17.554 2.377 -4.936 1.00 0.00 O ATOM 954 CB GLN A 62 17.143 0.946 -1.962 1.00 0.00 C ATOM 955 CG GLN A 62 17.616 1.202 -0.517 1.00 0.00 C ATOM 956 CD GLN A 62 18.062 -0.052 0.233 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.225 -0.452 0.167 1.00 0.00 O ATOM 958 NE2 GLN A 62 17.151 -0.663 0.973 1.00 0.00 N ATOM 0 H GLN A 62 14.837 1.931 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 62 17.353 3.027 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.334 0.216 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.962 0.500 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.444 1.911 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.806 1.674 0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.196 -0.305 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.403 -1.492 1.511 1.00 0.00 H new ATOM 967 N GLU A 63 15.534 1.357 -4.692 1.00 0.00 N ATOM 968 CA GLU A 63 15.305 1.053 -6.120 1.00 0.00 C ATOM 969 C GLU A 63 15.181 2.346 -6.947 1.00 0.00 C ATOM 970 O GLU A 63 15.664 2.414 -8.083 1.00 0.00 O ATOM 971 CB GLU A 63 14.043 0.156 -6.280 1.00 0.00 C ATOM 972 CG GLU A 63 14.189 -1.245 -5.658 1.00 0.00 C ATOM 973 CD GLU A 63 12.876 -2.038 -5.656 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.087 -1.898 -4.697 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.604 -2.776 -6.632 1.00 0.00 O ATOM 0 H GLU A 63 14.776 1.045 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 63 16.166 0.504 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.192 0.659 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.817 0.050 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.945 -1.805 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.549 -1.146 -4.634 1.00 0.00 H new ATOM 982 N VAL A 64 14.556 3.368 -6.336 1.00 0.00 N ATOM 983 CA VAL A 64 14.478 4.735 -6.891 1.00 0.00 C ATOM 984 C VAL A 64 15.900 5.312 -7.124 1.00 0.00 C ATOM 985 O VAL A 64 16.236 5.735 -8.240 1.00 0.00 O ATOM 986 CB VAL A 64 13.627 5.669 -5.938 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.736 7.165 -6.327 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.140 5.210 -5.908 1.00 0.00 C ATOM 0 H VAL A 64 14.086 3.270 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 64 13.975 4.692 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 64 14.044 5.572 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.134 7.764 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.777 7.482 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.373 7.303 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.571 5.864 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.724 5.259 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.083 4.185 -5.541 1.00 0.00 H new ATOM 998 N ASN A 65 16.722 5.282 -6.061 1.00 0.00 N ATOM 999 CA ASN A 65 18.112 5.802 -6.077 1.00 0.00 C ATOM 1000 C ASN A 65 19.051 5.039 -7.037 1.00 0.00 C ATOM 1001 O ASN A 65 19.946 5.652 -7.634 1.00 0.00 O ATOM 1002 CB ASN A 65 18.700 5.823 -4.637 1.00 0.00 C ATOM 1003 CG ASN A 65 18.243 7.046 -3.835 1.00 0.00 C ATOM 1004 OD1 ASN A 65 18.870 8.094 -3.892 1.00 0.00 O ATOM 1005 ND2 ASN A 65 17.147 6.935 -3.099 1.00 0.00 N ATOM 0 H ASN A 65 16.445 4.895 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 65 18.051 6.820 -6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.400 4.916 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.789 5.815 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.809 7.735 -2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.641 6.050 -3.068 1.00 0.00 H new ATOM 1012 N ASP A 66 18.868 3.713 -7.182 1.00 0.00 N ATOM 1013 CA ASP A 66 19.760 2.867 -8.020 1.00 0.00 C ATOM 1014 C ASP A 66 19.225 2.663 -9.450 1.00 0.00 C ATOM 1015 O ASP A 66 19.806 1.886 -10.223 1.00 0.00 O ATOM 1016 CB ASP A 66 20.002 1.490 -7.337 1.00 0.00 C ATOM 1017 CG ASP A 66 20.762 1.598 -6.003 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.903 2.118 -5.997 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.238 1.162 -4.956 1.00 0.00 O ATOM 0 H ASP A 66 18.112 3.198 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 66 20.705 3.403 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.042 1.005 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.564 0.849 -8.016 1.00 0.00 H new ATOM 1024 N GLY A 67 18.139 3.374 -9.805 1.00 0.00 N ATOM 1025 CA GLY A 67 17.529 3.268 -11.138 1.00 0.00 C ATOM 1026 C GLY A 67 16.879 1.911 -11.429 1.00 0.00 C ATOM 1027 O GLY A 67 16.534 1.624 -12.579 1.00 0.00 O ATOM 0 H GLY A 67 17.666 4.030 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 67 16.775 4.048 -11.243 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.294 3.460 -11.891 1.00 0.00 H new ATOM 1031 N LYS A 68 16.708 1.087 -10.381 1.00 0.00 N ATOM 1032 CA LYS A 68 16.083 -0.250 -10.482 1.00 0.00 C ATOM 1033 C LYS A 68 14.575 -0.112 -10.757 1.00 0.00 C ATOM 1034 O LYS A 68 13.967 -0.927 -11.465 1.00 0.00 O ATOM 1035 CB LYS A 68 16.306 -1.036 -9.163 1.00 0.00 C ATOM 1036 CG LYS A 68 17.780 -1.194 -8.729 1.00 0.00 C ATOM 1037 CD LYS A 68 18.632 -1.970 -9.755 1.00 0.00 C ATOM 1038 CE LYS A 68 20.063 -2.252 -9.261 1.00 0.00 C ATOM 1039 NZ LYS A 68 20.838 -3.036 -10.255 1.00 0.00 N ATOM 0 H LYS A 68 17.000 1.328 -9.434 1.00 0.00 H new ATOM 0 HA LYS A 68 16.544 -0.793 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.761 -0.534 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.868 -2.028 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.216 -0.207 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.817 -1.710 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.141 -2.915 -9.986 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.680 -1.401 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 68 20.573 -1.309 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.023 -2.797 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.797 -3.208 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.364 -3.946 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.897 -2.504 -11.147 1.00 0.00 H new ATOM 1053 N ALA A 69 13.995 0.929 -10.154 1.00 0.00 N ATOM 1054 CA ALA A 69 12.591 1.298 -10.311 1.00 0.00 C ATOM 1055 C ALA A 69 12.477 2.820 -10.236 1.00 0.00 C ATOM 1056 O ALA A 69 13.191 3.456 -9.466 1.00 0.00 O ATOM 1057 CB ALA A 69 11.739 0.626 -9.232 1.00 0.00 C ATOM 0 H ALA A 69 14.504 1.553 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 69 12.221 0.957 -11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.695 0.911 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.833 -0.457 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.081 0.944 -8.247 1.00 0.00 H new ATOM 1063 N THR A 70 11.579 3.385 -11.040 1.00 0.00 N ATOM 1064 CA THR A 70 11.361 4.836 -11.123 1.00 0.00 C ATOM 1065 C THR A 70 10.525 5.305 -9.922 1.00 0.00 C ATOM 1066 O THR A 70 9.785 4.511 -9.325 1.00 0.00 O ATOM 1067 CB THR A 70 10.676 5.193 -12.486 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.376 4.535 -13.560 1.00 0.00 O ATOM 1069 CG2 THR A 70 10.661 6.703 -12.768 1.00 0.00 C ATOM 0 H THR A 70 10.974 2.847 -11.660 1.00 0.00 H new ATOM 0 HA THR A 70 12.317 5.358 -11.086 1.00 0.00 H new ATOM 0 HB THR A 70 9.642 4.855 -12.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.948 4.756 -14.413 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.174 6.890 -13.725 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.114 7.215 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.684 7.077 -12.802 1.00 0.00 H new ATOM 1077 N THR A 71 10.678 6.584 -9.557 1.00 0.00 N ATOM 1078 CA THR A 71 10.029 7.157 -8.378 1.00 0.00 C ATOM 1079 C THR A 71 8.495 7.111 -8.527 1.00 0.00 C ATOM 1080 O THR A 71 7.789 6.712 -7.606 1.00 0.00 O ATOM 1081 CB THR A 71 10.521 8.622 -8.142 1.00 0.00 C ATOM 1082 OG1 THR A 71 11.888 8.751 -8.552 1.00 0.00 O ATOM 1083 CG2 THR A 71 10.429 9.023 -6.674 1.00 0.00 C ATOM 0 H THR A 71 11.256 7.248 -10.073 1.00 0.00 H new ATOM 0 HA THR A 71 10.303 6.560 -7.508 1.00 0.00 H new ATOM 0 HB THR A 71 9.875 9.274 -8.729 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.189 9.672 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.780 10.048 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.393 8.953 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.048 8.355 -6.075 1.00 0.00 H new ATOM 1091 N GLU A 72 8.022 7.536 -9.713 1.00 0.00 N ATOM 1092 CA GLU A 72 6.602 7.450 -10.136 1.00 0.00 C ATOM 1093 C GLU A 72 5.960 6.068 -9.874 1.00 0.00 C ATOM 1094 O GLU A 72 4.809 5.990 -9.422 1.00 0.00 O ATOM 1095 CB GLU A 72 6.444 7.823 -11.645 1.00 0.00 C ATOM 1096 CG GLU A 72 6.715 9.308 -11.999 1.00 0.00 C ATOM 1097 CD GLU A 72 8.198 9.724 -11.954 1.00 0.00 C ATOM 1098 OE1 GLU A 72 8.683 10.138 -10.883 1.00 0.00 O ATOM 1099 OE2 GLU A 72 8.888 9.623 -12.990 1.00 0.00 O ATOM 0 H GLU A 72 8.623 7.958 -10.421 1.00 0.00 H new ATOM 0 HA GLU A 72 6.069 8.172 -9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.122 7.199 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.431 7.572 -11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.327 9.505 -12.999 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.154 9.939 -11.310 1.00 0.00 H new ATOM 1106 N GLN A 73 6.738 5.009 -10.151 1.00 0.00 N ATOM 1107 CA GLN A 73 6.292 3.597 -10.031 1.00 0.00 C ATOM 1108 C GLN A 73 5.769 3.269 -8.601 1.00 0.00 C ATOM 1109 O GLN A 73 4.938 2.373 -8.429 1.00 0.00 O ATOM 1110 CB GLN A 73 7.449 2.646 -10.481 1.00 0.00 C ATOM 1111 CG GLN A 73 7.073 1.157 -10.749 1.00 0.00 C ATOM 1112 CD GLN A 73 7.287 0.216 -9.559 1.00 0.00 C ATOM 1113 OE1 GLN A 73 6.390 -0.024 -8.754 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.493 -0.312 -9.435 1.00 0.00 N ATOM 0 H GLN A 73 7.703 5.101 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 73 5.442 3.438 -10.694 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.889 3.054 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.224 2.668 -9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.026 1.110 -11.048 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.662 0.794 -11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.218 -0.094 -10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.698 -0.937 -8.655 1.00 0.00 H new ATOM 1123 N TYR A 74 6.231 4.033 -7.586 1.00 0.00 N ATOM 1124 CA TYR A 74 5.779 3.874 -6.182 1.00 0.00 C ATOM 1125 C TYR A 74 4.979 5.089 -5.675 1.00 0.00 C ATOM 1126 O TYR A 74 3.996 4.916 -4.963 1.00 0.00 O ATOM 1127 CB TYR A 74 6.988 3.644 -5.243 1.00 0.00 C ATOM 1128 CG TYR A 74 7.819 2.417 -5.616 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.270 1.132 -5.550 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.143 2.538 -6.048 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.005 0.025 -5.900 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.873 1.427 -6.405 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.301 0.178 -6.322 1.00 0.00 C ATOM 1134 OH TYR A 74 10.013 -0.924 -6.701 1.00 0.00 O ATOM 0 H TYR A 74 6.922 4.772 -7.713 1.00 0.00 H new ATOM 0 HA TYR A 74 5.121 3.005 -6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.627 4.527 -5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.629 3.533 -4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.250 1.008 -5.218 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.599 3.516 -6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.565 -0.960 -5.843 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.891 1.535 -6.749 1.00 0.00 H new ATOM 0 HH TYR A 74 10.914 -0.653 -6.975 1.00 0.00 H new ATOM 1144 N PHE A 75 5.398 6.313 -6.033 1.00 0.00 N ATOM 1145 CA PHE A 75 4.949 7.550 -5.342 1.00 0.00 C ATOM 1146 C PHE A 75 3.813 8.294 -6.072 1.00 0.00 C ATOM 1147 O PHE A 75 3.314 9.283 -5.544 1.00 0.00 O ATOM 1148 CB PHE A 75 6.157 8.500 -5.117 1.00 0.00 C ATOM 1149 CG PHE A 75 7.161 8.010 -4.064 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.232 7.182 -4.406 1.00 0.00 C ATOM 1151 CD2 PHE A 75 7.034 8.395 -2.726 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.139 6.754 -3.450 1.00 0.00 C ATOM 1153 CE2 PHE A 75 7.941 7.968 -1.773 1.00 0.00 C ATOM 1154 CZ PHE A 75 8.996 7.148 -2.134 1.00 0.00 C ATOM 0 H PHE A 75 6.050 6.481 -6.799 1.00 0.00 H new ATOM 0 HA PHE A 75 4.535 7.234 -4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.679 8.635 -6.064 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.783 9.479 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.355 6.870 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.215 9.035 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.959 6.111 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.826 8.275 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.705 6.817 -1.389 1.00 0.00 H new ATOM 1164 N VAL A 76 3.371 7.813 -7.244 1.00 0.00 N ATOM 1165 CA VAL A 76 2.192 8.400 -7.920 1.00 0.00 C ATOM 1166 C VAL A 76 0.979 7.737 -7.287 1.00 0.00 C ATOM 1167 O VAL A 76 0.940 6.533 -7.243 1.00 0.00 O ATOM 1168 CB VAL A 76 2.206 8.181 -9.476 1.00 0.00 C ATOM 1169 CG1 VAL A 76 0.862 8.570 -10.134 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.350 8.982 -10.113 1.00 0.00 C ATOM 0 H VAL A 76 3.800 7.032 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 76 2.184 9.482 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 76 2.361 7.116 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.921 8.401 -11.209 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.062 7.961 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.655 9.623 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.350 8.822 -11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.212 10.043 -9.903 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.302 8.651 -9.698 1.00 0.00 H new ATOM 1180 N LEU A 77 0.012 8.529 -6.803 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.037 8.069 -5.859 1.00 0.00 C ATOM 1182 C LEU A 77 -1.874 6.866 -6.350 1.00 0.00 C ATOM 1183 O LEU A 77 -2.409 6.122 -5.523 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.950 9.257 -5.467 1.00 0.00 C ATOM 1185 CG LEU A 77 -1.224 10.460 -4.784 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.227 11.519 -4.307 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -0.303 9.990 -3.632 1.00 0.00 C ATOM 0 H LEU A 77 -0.072 9.515 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.506 7.696 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.453 9.619 -6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.725 8.891 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.587 10.927 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.690 12.343 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.793 11.895 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.912 11.073 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.185 10.854 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.898 9.474 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.453 9.310 -4.025 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.988 6.677 -7.680 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.637 5.471 -8.254 1.00 0.00 C ATOM 1201 C LYS A 78 -1.691 4.244 -8.167 1.00 0.00 C ATOM 1202 O LYS A 78 -2.133 3.130 -7.875 1.00 0.00 O ATOM 1203 CB LYS A 78 -3.096 5.729 -9.717 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.959 6.030 -10.716 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.459 6.351 -12.140 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.298 6.568 -13.131 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.484 5.340 -13.344 1.00 0.00 N ATOM 0 H LYS A 78 -1.643 7.337 -8.377 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.526 5.249 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.646 4.856 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.793 6.567 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.375 6.873 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.288 5.172 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.089 5.535 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.082 7.245 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.700 6.902 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.654 7.365 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.206 5.508 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.020 5.101 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.108 4.552 -13.611 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.382 4.477 -8.402 1.00 0.00 N ATOM 1222 CA ASN A 79 0.676 3.437 -8.310 1.00 0.00 C ATOM 1223 C ASN A 79 0.938 3.070 -6.847 1.00 0.00 C ATOM 1224 O ASN A 79 1.217 1.922 -6.544 1.00 0.00 O ATOM 1225 CB ASN A 79 2.006 3.907 -8.969 1.00 0.00 C ATOM 1226 CG ASN A 79 1.893 4.190 -10.463 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.877 4.667 -10.941 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.921 3.866 -11.216 1.00 0.00 N ATOM 0 H ASN A 79 -0.023 5.396 -8.663 1.00 0.00 H new ATOM 0 HA ASN A 79 0.316 2.562 -8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.350 4.809 -8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.767 3.143 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.880 4.012 -12.225 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.759 3.469 -10.791 1.00 0.00 H new ATOM 1235 N LEU A 80 0.828 4.074 -5.961 1.00 0.00 N ATOM 1236 CA LEU A 80 0.997 3.919 -4.516 1.00 0.00 C ATOM 1237 C LEU A 80 -0.145 3.062 -3.984 1.00 0.00 C ATOM 1238 O LEU A 80 0.085 2.047 -3.327 1.00 0.00 O ATOM 1239 CB LEU A 80 1.018 5.315 -3.829 1.00 0.00 C ATOM 1240 CG LEU A 80 1.226 5.323 -2.279 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.531 4.584 -1.873 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.199 6.771 -1.732 1.00 0.00 C ATOM 0 H LEU A 80 0.615 5.032 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 80 1.945 3.428 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.812 5.908 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.077 5.819 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 80 0.398 4.777 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.642 4.610 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.482 3.548 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.386 5.075 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.345 6.755 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.996 7.351 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.236 7.228 -1.961 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.375 3.437 -4.385 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.597 2.711 -4.018 1.00 0.00 C ATOM 1256 C ALA A 81 -2.584 1.287 -4.592 1.00 0.00 C ATOM 1257 O ALA A 81 -3.172 0.382 -4.004 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.836 3.470 -4.490 1.00 0.00 C ATOM 0 H ALA A 81 -1.545 4.253 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.632 2.637 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.731 2.916 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.858 4.456 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.804 3.581 -5.574 1.00 0.00 H new ATOM 1264 N ALA A 82 -1.876 1.104 -5.724 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.688 -0.210 -6.340 1.00 0.00 C ATOM 1266 C ALA A 82 -0.781 -1.081 -5.451 1.00 0.00 C ATOM 1267 O ALA A 82 -1.198 -2.152 -5.036 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.101 -0.066 -7.754 1.00 0.00 C ATOM 0 H ALA A 82 -1.423 1.865 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.657 -0.700 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.969 -1.054 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.781 0.520 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.136 0.439 -7.698 1.00 0.00 H new ATOM 1274 N ARG A 83 0.430 -0.560 -5.120 1.00 0.00 N ATOM 1275 CA ARG A 83 1.459 -1.299 -4.337 1.00 0.00 C ATOM 1276 C ARG A 83 0.895 -1.793 -2.988 1.00 0.00 C ATOM 1277 O ARG A 83 1.073 -2.954 -2.617 1.00 0.00 O ATOM 1278 CB ARG A 83 2.705 -0.413 -4.055 1.00 0.00 C ATOM 1279 CG ARG A 83 3.477 0.145 -5.281 1.00 0.00 C ATOM 1280 CD ARG A 83 4.055 -0.933 -6.231 1.00 0.00 C ATOM 1281 NE ARG A 83 3.059 -1.472 -7.175 1.00 0.00 N ATOM 1282 CZ ARG A 83 2.878 -1.052 -8.445 1.00 0.00 C ATOM 1283 NH1 ARG A 83 3.581 -0.042 -8.945 1.00 0.00 N ATOM 1284 NH2 ARG A 83 1.989 -1.652 -9.208 1.00 0.00 N ATOM 0 H ARG A 83 0.721 0.381 -5.387 1.00 0.00 H new ATOM 0 HA ARG A 83 1.752 -2.155 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.386 0.432 -3.445 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.403 -0.995 -3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.808 0.790 -5.851 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.295 0.770 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.884 -0.505 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.462 -1.751 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 83 2.457 -2.224 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.274 0.433 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.428 0.259 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.442 -2.429 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.847 -1.339 -10.169 1.00 0.00 H new ATOM 1298 N ILE A 84 0.185 -0.886 -2.293 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.397 -1.146 -0.960 1.00 0.00 C ATOM 1300 C ILE A 84 -1.490 -2.227 -1.064 1.00 0.00 C ATOM 1301 O ILE A 84 -1.517 -3.173 -0.275 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.008 0.169 -0.357 1.00 0.00 C ATOM 1303 CG1 ILE A 84 0.063 1.309 -0.304 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.630 -0.087 1.047 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.494 2.696 -0.065 1.00 0.00 C ATOM 0 H ILE A 84 -0.003 0.054 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 84 0.397 -1.497 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.813 0.495 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.778 1.079 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.616 1.312 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.044 0.843 1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.423 -0.830 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.859 -0.453 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.323 3.418 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.186 2.954 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.021 2.717 0.889 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.362 -2.072 -2.080 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.484 -2.997 -2.352 1.00 0.00 C ATOM 1319 C ASP A 85 -2.963 -4.412 -2.728 1.00 0.00 C ATOM 1320 O ASP A 85 -3.619 -5.413 -2.440 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.369 -2.415 -3.490 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.658 -3.212 -3.749 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.620 -3.063 -2.968 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.720 -3.981 -4.737 1.00 0.00 O ATOM 0 H ASP A 85 -2.308 -1.296 -2.740 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.084 -3.099 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.633 -1.387 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.784 -2.380 -4.409 1.00 0.00 H new ATOM 1329 N GLU A 86 -1.777 -4.458 -3.377 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.077 -5.710 -3.761 1.00 0.00 C ATOM 1331 C GLU A 86 -0.420 -6.389 -2.541 1.00 0.00 C ATOM 1332 O GLU A 86 -0.199 -7.607 -2.552 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.038 -5.418 -4.883 1.00 0.00 C ATOM 1334 CG GLU A 86 -0.686 -4.979 -6.210 1.00 0.00 C ATOM 1335 CD GLU A 86 0.327 -4.529 -7.274 1.00 0.00 C ATOM 1336 OE1 GLU A 86 0.752 -3.364 -7.243 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.682 -5.330 -8.161 1.00 0.00 O ATOM 0 H GLU A 86 -1.271 -3.617 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.815 -6.411 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.644 -4.638 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.561 -6.312 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.274 -5.806 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.379 -4.161 -6.012 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.116 -5.595 -1.491 1.00 0.00 N ATOM 1345 CA LEU A 87 0.357 -6.117 -0.184 1.00 0.00 C ATOM 1346 C LEU A 87 -0.841 -6.571 0.683 1.00 0.00 C ATOM 1347 O LEU A 87 -0.720 -7.478 1.521 1.00 0.00 O ATOM 1348 CB LEU A 87 1.214 -5.057 0.549 1.00 0.00 C ATOM 1349 CG LEU A 87 2.475 -4.567 -0.234 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.229 -3.483 0.543 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.417 -5.735 -0.617 1.00 0.00 C ATOM 0 H LEU A 87 -0.190 -4.578 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 87 0.988 -6.987 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.586 -4.195 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.537 -5.471 1.504 1.00 0.00 H new ATOM 0 HG LEU A 87 2.116 -4.127 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.100 -3.164 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.571 -2.630 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.553 -3.883 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.278 -5.345 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.756 -6.241 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.881 -6.443 -1.249 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.009 -5.947 0.443 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.295 -6.356 1.044 1.00 0.00 C ATOM 1365 C VAL A 88 -3.762 -7.665 0.357 1.00 0.00 C ATOM 1366 O VAL A 88 -4.350 -8.553 0.989 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.371 -5.207 0.896 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.779 -5.683 1.308 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.960 -3.946 1.710 1.00 0.00 C ATOM 0 H VAL A 88 -2.089 -5.141 -0.176 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.169 -6.536 2.112 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.409 -4.938 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.489 -4.864 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.081 -6.517 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.764 -6.005 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.718 -3.172 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.872 -4.207 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.002 -3.575 1.347 1.00 0.00 H new ATOM 1379 N ALA A 89 -3.423 -7.784 -0.940 1.00 0.00 N ATOM 1380 CA ALA A 89 -3.660 -8.996 -1.739 1.00 0.00 C ATOM 1381 C ALA A 89 -2.691 -10.102 -1.300 1.00 0.00 C ATOM 1382 O ALA A 89 -3.052 -11.275 -1.288 1.00 0.00 O ATOM 1383 CB ALA A 89 -3.499 -8.704 -3.237 1.00 0.00 C ATOM 0 H ALA A 89 -2.973 -7.034 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.684 -9.331 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.679 -9.616 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.216 -7.940 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.487 -8.348 -3.432 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.457 -9.693 -0.932 1.00 0.00 N ATOM 1390 CA ALA A 90 -0.447 -10.590 -0.342 1.00 0.00 C ATOM 1391 C ALA A 90 -0.917 -11.159 1.012 1.00 0.00 C ATOM 1392 O ALA A 90 -0.492 -12.241 1.423 1.00 0.00 O ATOM 1393 CB ALA A 90 0.891 -9.857 -0.177 1.00 0.00 C ATOM 0 H ALA A 90 -1.136 -8.731 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.309 -11.428 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.625 -10.534 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.243 -9.519 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.756 -8.996 0.478 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.801 -10.409 1.693 1.00 0.00 N ATOM 1400 CA LYS A 91 -2.428 -10.838 2.954 1.00 0.00 C ATOM 1401 C LYS A 91 -3.662 -11.728 2.672 1.00 0.00 C ATOM 1402 O LYS A 91 -3.959 -12.658 3.435 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.868 -9.592 3.764 1.00 0.00 C ATOM 1404 CG LYS A 91 -3.548 -9.910 5.121 1.00 0.00 C ATOM 1405 CD LYS A 91 -4.148 -8.665 5.806 1.00 0.00 C ATOM 1406 CE LYS A 91 -3.103 -7.584 6.106 1.00 0.00 C ATOM 1407 NZ LYS A 91 -3.710 -6.425 6.786 1.00 0.00 N ATOM 0 H LYS A 91 -2.101 -9.485 1.382 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.701 -11.415 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.994 -8.968 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.557 -9.005 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.337 -10.645 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.817 -10.367 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.925 -8.244 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.629 -8.966 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.313 -8.002 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.636 -7.259 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.499 -5.559 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.740 -6.555 6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.320 -6.342 7.746 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.351 -11.448 1.551 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.656 -12.045 1.264 1.00 0.00 C ATOM 1423 C GLY A 92 -5.566 -13.427 0.628 1.00 0.00 C ATOM 1424 O GLY A 92 -6.350 -14.325 0.965 1.00 0.00 O ATOM 0 H GLY A 92 -4.019 -10.808 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.226 -12.117 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.211 -11.383 0.599 1.00 0.00 H new ATOM 1428 N ALA A 93 -4.598 -13.584 -0.290 1.00 0.00 N ATOM 1429 CA ALA A 93 -4.425 -14.808 -1.093 1.00 0.00 C ATOM 1430 C ALA A 93 -2.993 -14.917 -1.640 1.00 0.00 C ATOM 1431 O ALA A 93 -2.319 -15.937 -1.442 1.00 0.00 O ATOM 1432 CB ALA A 93 -5.444 -14.825 -2.251 1.00 0.00 C ATOM 0 H ALA A 93 -3.909 -12.861 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.602 -15.668 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.310 -15.732 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.456 -14.801 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.287 -13.953 -2.886 1.00 0.00 H new ATOM 1438 N LEU A 94 -2.545 -13.856 -2.333 1.00 0.00 N ATOM 1439 CA LEU A 94 -1.265 -13.829 -3.073 1.00 0.00 C ATOM 1440 C LEU A 94 -0.026 -13.744 -2.145 1.00 0.00 C ATOM 1441 O LEU A 94 -0.117 -13.903 -0.926 1.00 0.00 O ATOM 1442 CB LEU A 94 -1.287 -12.609 -4.049 1.00 0.00 C ATOM 1443 CG LEU A 94 -2.482 -12.541 -5.057 1.00 0.00 C ATOM 1444 CD1 LEU A 94 -2.426 -11.248 -5.904 1.00 0.00 C ATOM 1445 CD2 LEU A 94 -2.521 -13.795 -5.955 1.00 0.00 C ATOM 0 H LEU A 94 -3.065 -12.981 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.173 -14.768 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.291 -11.696 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.359 -12.613 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.405 -12.517 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.269 -11.229 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.476 -10.380 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.494 -11.223 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.361 -13.722 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.592 -13.867 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.638 -14.683 -5.334 1.00 0.00 H new ATOM 1457 N GLU A 95 1.128 -13.525 -2.784 1.00 0.00 N ATOM 1458 CA GLU A 95 2.429 -13.219 -2.148 1.00 0.00 C ATOM 1459 C GLU A 95 2.870 -11.806 -2.592 1.00 0.00 C ATOM 1460 O GLU A 95 3.416 -11.025 -1.804 1.00 0.00 O ATOM 1461 CB GLU A 95 3.508 -14.317 -2.511 1.00 0.00 C ATOM 1462 CG GLU A 95 3.177 -15.255 -3.713 1.00 0.00 C ATOM 1463 CD GLU A 95 3.107 -14.553 -5.091 1.00 0.00 C ATOM 1464 OE1 GLU A 95 4.148 -14.422 -5.757 1.00 0.00 O ATOM 1465 OE2 GLU A 95 2.005 -14.129 -5.515 1.00 0.00 O ATOM 0 H GLU A 95 1.192 -13.556 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 95 2.327 -13.234 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.450 -13.811 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.671 -14.938 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.931 -16.040 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.221 -15.742 -3.521 1.00 0.00 H new ATOM 1472 N HIS A 96 2.621 -11.524 -3.878 1.00 0.00 N ATOM 1473 CA HIS A 96 2.782 -10.204 -4.513 1.00 0.00 C ATOM 1474 C HIS A 96 2.197 -10.310 -5.929 1.00 0.00 C ATOM 1475 O HIS A 96 2.434 -11.309 -6.617 1.00 0.00 O ATOM 1476 CB HIS A 96 4.270 -9.741 -4.573 1.00 0.00 C ATOM 1477 CG HIS A 96 5.161 -10.597 -5.444 1.00 0.00 C ATOM 1478 ND1 HIS A 96 5.480 -10.274 -6.744 1.00 0.00 N ATOM 1479 CD2 HIS A 96 5.776 -11.777 -5.199 1.00 0.00 C ATOM 1480 CE1 HIS A 96 6.247 -11.215 -7.255 1.00 0.00 C ATOM 1481 NE2 HIS A 96 6.441 -12.136 -6.338 1.00 0.00 N ATOM 0 H HIS A 96 2.289 -12.234 -4.531 1.00 0.00 H new ATOM 0 HA HIS A 96 2.261 -9.454 -3.918 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.303 -8.715 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 96 4.675 -9.731 -3.561 1.00 0.00 H new ATOM 0 HD1 HIS A 96 5.170 -9.436 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.747 -12.333 -4.274 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.648 -11.228 -8.258 1.00 0.00 H new ATOM 1490 N HIS A 97 1.431 -9.300 -6.359 1.00 0.00 N ATOM 1491 CA HIS A 97 0.767 -9.308 -7.677 1.00 0.00 C ATOM 1492 C HIS A 97 1.780 -8.904 -8.771 1.00 0.00 C ATOM 1493 O HIS A 97 2.070 -9.674 -9.690 1.00 0.00 O ATOM 1494 CB HIS A 97 -0.466 -8.377 -7.629 1.00 0.00 C ATOM 1495 CG HIS A 97 -1.312 -8.381 -8.869 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -1.307 -7.351 -9.783 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -2.205 -9.290 -9.332 1.00 0.00 C ATOM 1498 CE1 HIS A 97 -2.163 -7.625 -10.753 1.00 0.00 C ATOM 1499 NE2 HIS A 97 -2.717 -8.795 -10.504 1.00 0.00 N ATOM 0 H HIS A 97 1.252 -8.458 -5.811 1.00 0.00 H new ATOM 0 HA HIS A 97 0.413 -10.308 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.088 -8.666 -6.782 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -0.126 -7.358 -7.442 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.465 -10.229 -8.865 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.373 -6.996 -11.606 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.414 -9.257 -11.088 1.00 0.00 H new ATOM 1508 N HIS A 98 2.315 -7.684 -8.639 1.00 0.00 N ATOM 1509 CA HIS A 98 3.465 -7.173 -9.428 1.00 0.00 C ATOM 1510 C HIS A 98 4.474 -6.551 -8.457 1.00 0.00 C ATOM 1511 O HIS A 98 4.099 -6.201 -7.326 1.00 0.00 O ATOM 1512 CB HIS A 98 3.033 -6.125 -10.499 1.00 0.00 C ATOM 1513 CG HIS A 98 2.418 -6.709 -11.744 1.00 0.00 C ATOM 1514 ND1 HIS A 98 1.286 -7.427 -11.930 1.00 0.00 N flip ATOM 1515 CD2 HIS A 98 2.977 -6.567 -12.996 1.00 0.00 C flip ATOM 1516 CE1 HIS A 98 1.187 -7.701 -13.266 1.00 0.00 C flip ATOM 1517 NE2 HIS A 98 2.217 -7.167 -13.888 1.00 0.00 N flip ATOM 0 H HIS A 98 1.960 -7.002 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 98 3.911 -8.006 -9.971 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.319 -5.437 -10.046 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.905 -5.537 -10.783 1.00 0.00 H new ATOM 0 HD1 HIS A 98 0.627 -7.712 -11.206 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.897 -6.044 -13.212 1.00 0.00 H new ATOM 0 HE1 HIS A 98 0.393 -8.264 -13.735 1.00 0.00 H new ATOM 1526 N HIS A 99 5.744 -6.414 -8.920 1.00 0.00 N ATOM 1527 CA HIS A 99 6.895 -5.957 -8.099 1.00 0.00 C ATOM 1528 C HIS A 99 7.268 -7.030 -7.046 1.00 0.00 C ATOM 1529 O HIS A 99 6.382 -7.610 -6.421 1.00 0.00 O ATOM 1530 CB HIS A 99 6.629 -4.550 -7.466 1.00 0.00 C ATOM 1531 CG HIS A 99 7.597 -4.134 -6.387 1.00 0.00 C ATOM 1532 ND1 HIS A 99 8.947 -4.026 -6.592 1.00 0.00 N ATOM 1533 CD2 HIS A 99 7.401 -3.853 -5.079 1.00 0.00 C ATOM 1534 CE1 HIS A 99 9.539 -3.706 -5.465 1.00 0.00 C ATOM 1535 NE2 HIS A 99 8.630 -3.593 -4.530 1.00 0.00 N ATOM 0 H HIS A 99 6.000 -6.620 -9.886 1.00 0.00 H new ATOM 0 HA HIS A 99 7.759 -5.832 -8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.652 -3.803 -8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.622 -4.542 -7.050 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.453 -3.836 -4.563 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.601 -3.560 -5.331 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.807 -3.352 -3.555 1.00 0.00 H new ATOM 1544 N HIS A 100 8.592 -7.273 -6.861 1.00 0.00 N ATOM 1545 CA HIS A 100 9.126 -8.402 -6.047 1.00 0.00 C ATOM 1546 C HIS A 100 8.461 -8.479 -4.645 1.00 0.00 C ATOM 1547 O HIS A 100 7.795 -9.472 -4.351 1.00 0.00 O ATOM 1548 CB HIS A 100 10.667 -8.289 -5.935 1.00 0.00 C ATOM 1549 CG HIS A 100 11.346 -9.414 -5.189 1.00 0.00 C ATOM 1550 ND1 HIS A 100 12.156 -9.219 -4.094 1.00 0.00 N ATOM 1551 CD2 HIS A 100 11.350 -10.746 -5.416 1.00 0.00 C ATOM 1552 CE1 HIS A 100 12.637 -10.379 -3.688 1.00 0.00 C ATOM 1553 NE2 HIS A 100 12.158 -11.323 -4.469 1.00 0.00 N ATOM 0 H HIS A 100 9.322 -6.691 -7.272 1.00 0.00 H new ATOM 0 HA HIS A 100 8.878 -9.332 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.085 -8.238 -6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.911 -7.349 -5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.815 -11.262 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.309 -10.528 -2.856 1.00 0.00 H new ATOM 0 HE2 HIS A 100 12.355 -12.320 -4.384 1.00 0.00 H new ATOM 1562 N HIS A 101 8.657 -7.428 -3.813 1.00 0.00 N ATOM 1563 CA HIS A 101 7.887 -7.196 -2.563 1.00 0.00 C ATOM 1564 C HIS A 101 8.444 -5.931 -1.868 1.00 0.00 C ATOM 1565 O HIS A 101 7.856 -4.848 -2.029 1.00 0.00 O ATOM 1566 CB HIS A 101 7.904 -8.423 -1.587 1.00 0.00 C ATOM 1567 CG HIS A 101 6.790 -8.411 -0.576 1.00 0.00 C ATOM 1568 ND1 HIS A 101 5.600 -9.083 -0.767 1.00 0.00 N ATOM 1569 CD2 HIS A 101 6.682 -7.809 0.629 1.00 0.00 C ATOM 1570 CE1 HIS A 101 4.814 -8.894 0.268 1.00 0.00 C ATOM 1571 NE2 HIS A 101 5.447 -8.128 1.133 1.00 0.00 N ATOM 1572 OXT HIS A 101 9.490 -6.026 -1.185 1.00 0.00 O ATOM 0 H HIS A 101 9.360 -6.710 -3.991 1.00 0.00 H new ATOM 0 HA HIS A 101 6.841 -7.054 -2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.842 -9.341 -2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.859 -8.444 -1.061 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.429 -7.192 1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.819 -9.297 0.389 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.078 -7.821 2.033 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.639 11.063 2.258 1.00 0.00 P HETATM 1583 O25 PNS A 102 13.771 12.244 2.497 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.986 10.576 0.901 1.00 0.00 O HETATM 1585 O27 PNS A 102 14.714 9.972 3.457 1.00 0.00 O HETATM 1586 C28 PNS A 102 15.922 9.328 3.942 1.00 0.00 C HETATM 1587 C29 PNS A 102 16.497 8.211 2.978 1.00 0.00 C HETATM 1588 C30 PNS A 102 15.294 7.428 2.357 1.00 0.00 C HETATM 1589 C31 PNS A 102 17.380 7.215 3.809 1.00 0.00 C HETATM 1590 C32 PNS A 102 17.362 8.899 1.835 1.00 0.00 C HETATM 1591 O33 PNS A 102 18.579 9.409 2.400 1.00 0.00 O HETATM 1592 C34 PNS A 102 17.713 7.942 0.674 1.00 0.00 C HETATM 1593 O35 PNS A 102 17.188 8.096 -0.435 1.00 0.00 O HETATM 1594 N36 PNS A 102 18.626 6.993 0.939 1.00 0.00 N HETATM 1595 C37 PNS A 102 19.077 5.991 -0.047 1.00 0.00 C HETATM 1596 C38 PNS A 102 17.974 4.976 -0.424 1.00 0.00 C HETATM 1597 C39 PNS A 102 17.239 4.392 0.789 1.00 0.00 C HETATM 1598 O40 PNS A 102 16.005 4.369 0.824 1.00 0.00 O HETATM 1599 N41 PNS A 102 17.999 3.890 1.776 1.00 0.00 N HETATM 1600 C42 PNS A 102 17.418 3.301 2.992 1.00 0.00 C HETATM 1601 C43 PNS A 102 18.486 2.816 3.959 1.00 0.00 C HETATM 1602 S44 PNS A 102 19.555 4.147 4.537 1.00 0.00 S HETATM 0 H432 PNS A 102 18.007 2.342 4.816 1.00 0.00 H new HETATM 0 H431 PNS A 102 19.093 2.053 3.471 1.00 0.00 H new HETATM 0 H422 PNS A 102 16.772 2.467 2.717 1.00 0.00 H new HETATM 0 H421 PNS A 102 16.790 4.041 3.488 1.00 0.00 H new HETATM 0 H382 PNS A 102 18.420 4.162 -0.995 1.00 0.00 H new HETATM 0 H381 PNS A 102 17.250 5.464 -1.077 1.00 0.00 H new HETATM 0 H372 PNS A 102 19.935 5.454 0.356 1.00 0.00 H new HETATM 0 H371 PNS A 102 19.416 6.503 -0.948 1.00 0.00 H new HETATM 0 H313 PNS A 102 17.778 6.444 3.149 1.00 0.00 H new HETATM 0 H312 PNS A 102 16.772 6.750 4.585 1.00 0.00 H new HETATM 0 H311 PNS A 102 18.204 7.758 4.271 1.00 0.00 H new HETATM 0 H303 PNS A 102 15.670 6.653 1.689 1.00 0.00 H new HETATM 0 H302 PNS A 102 14.663 8.117 1.795 1.00 0.00 H new HETATM 0 H301 PNS A 102 14.709 6.968 3.154 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.716 8.881 4.915 1.00 0.00 H new HETATM 0 H281 PNS A 102 16.688 10.088 4.096 1.00 0.00 H new HETATM 0 H44 PNS A 102 20.441 3.667 5.359 1.00 0.00 H new HETATM 0 H41 PNS A 102 19.014 3.918 1.679 1.00 0.00 H new HETATM 0 H36 PNS A 102 19.031 6.963 1.875 1.00 0.00 H new HETATM 0 H33 PNS A 102 19.114 9.832 1.696 1.00 0.00 H new HETATM 0 H32 PNS A 102 16.751 9.701 1.420 1.00 0.00 H new