USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 673 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 51 HIS : no HE2:sc= -3.63! C(o=-5.7!,f=-6.8!) USER MOD Set 1.2: A 54 HIS : no HE2:sc= -2.09! K(o=-5.7!,f=-6.7) USER MOD Set 2.1: A 10 THR OG1 : rot -61:sc= -2.9! USER MOD Set 2.2: A 81 MET CE :methyl -113:sc= -5.95! (180deg=-9.79!) USER MOD Set 3.1: A 6 SER OG : rot 140:sc= -0.811 USER MOD Set 3.2: A 57 MET CE :methyl 160:sc= -7.34! (180deg=-6.59!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= -0.0346 USER MOD Set 4.2: A 92 GLN : amide:sc= -0.026 K(o=-0.061,f=0.49) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.5! (180deg=-1.52!) USER MOD Single : A 4 SER OG : rot 123:sc= 0.187 USER MOD Single : A 7 HIS : no HE2:sc= -2.73 X(o=-2.7,f=-2.4) USER MOD Single : A 12 SER OG : rot -56:sc= 1.12 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2.61! C(o=-2.6!,f=-3.5!) USER MOD Single : A 21 CYS SG : rot -64:sc= -5.94! USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0118) USER MOD Single : A 23 HIS : no HD1:sc=-0.000392 X(o=-0.00039,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.136 (180deg=0.029) USER MOD Single : A 33 THR OG1 : rot 31:sc= 0.274 USER MOD Single : A 44 SER OG : rot -21:sc= 0.507 USER MOD Single : A 45 ASN : amide:sc= -3.84! K(o=-3.8!,f=-2.6) USER MOD Single : A 46 CYS SG : rot 180:sc= -2.87! USER MOD Single : A 60 ASN : amide:sc= -6.83 K(o=-6.8,f=-15!) USER MOD Single : A 61 SER OG : rot -69:sc= -5.15! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.0888 K(o=0.089,f=-3.2!) USER MOD Single : A 70 MET CE :methyl -162:sc= -2.82! (180deg=-3.49!) USER MOD Single : A 71 GLN : amide:sc= -2.04! C(o=-2!,f=-1.5!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-4.6) USER MOD Single : A 79 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.340 15.206 -5.867 1.00 0.00 N ATOM 2 CA MET A 1 6.854 14.267 -4.820 1.00 0.00 C ATOM 3 C MET A 1 5.422 14.585 -4.410 1.00 0.00 C ATOM 4 O MET A 1 5.168 15.361 -3.491 1.00 0.00 O ATOM 5 CB MET A 1 7.803 14.326 -3.625 1.00 0.00 C ATOM 6 CG MET A 1 7.829 15.672 -2.920 1.00 0.00 C ATOM 7 SD MET A 1 9.325 16.615 -3.274 1.00 0.00 S ATOM 8 CE MET A 1 9.517 17.533 -1.748 1.00 0.00 C ATOM 0 H1 MET A 1 8.329 14.984 -6.100 1.00 0.00 H new ATOM 0 H2 MET A 1 6.753 15.109 -6.720 1.00 0.00 H new ATOM 0 H3 MET A 1 7.278 16.182 -5.514 1.00 0.00 H new ATOM 0 HA MET A 1 6.845 13.254 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.515 13.558 -2.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.811 14.085 -3.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.958 16.253 -3.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.749 15.516 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.403 18.165 -1.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.638 18.156 -1.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.628 16.837 -0.916 1.00 0.00 H new ATOM 17 N PHE A 2 4.494 13.950 -5.107 1.00 0.00 N ATOM 18 CA PHE A 2 3.068 14.119 -4.844 1.00 0.00 C ATOM 19 C PHE A 2 2.602 13.015 -3.901 1.00 0.00 C ATOM 20 O PHE A 2 3.360 12.081 -3.632 1.00 0.00 O ATOM 21 CB PHE A 2 2.266 14.087 -6.154 1.00 0.00 C ATOM 22 CG PHE A 2 3.066 14.448 -7.376 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.604 15.717 -7.517 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.268 13.522 -8.386 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.328 16.056 -8.644 1.00 0.00 C ATOM 26 CE2 PHE A 2 3.992 13.854 -9.513 1.00 0.00 C ATOM 27 CZ PHE A 2 4.523 15.123 -9.644 1.00 0.00 C ATOM 0 H PHE A 2 4.703 13.305 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 2 2.900 15.089 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.850 13.088 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.424 14.774 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.456 16.449 -6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.854 12.529 -8.291 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.741 17.049 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.144 13.122 -10.293 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.089 15.385 -10.526 1.00 0.00 H new ATOM 37 N ARG A 3 1.376 13.102 -3.385 1.00 0.00 N ATOM 38 CA ARG A 3 0.905 12.064 -2.472 1.00 0.00 C ATOM 39 C ARG A 3 -0.611 11.849 -2.543 1.00 0.00 C ATOM 40 O ARG A 3 -1.395 12.782 -2.366 1.00 0.00 O ATOM 41 CB ARG A 3 1.333 12.367 -1.029 1.00 0.00 C ATOM 42 CG ARG A 3 2.097 11.221 -0.395 1.00 0.00 C ATOM 43 CD ARG A 3 3.591 11.494 -0.334 1.00 0.00 C ATOM 44 NE ARG A 3 4.030 11.845 1.015 1.00 0.00 N ATOM 45 CZ ARG A 3 3.921 11.036 2.067 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.403 9.822 1.932 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.337 11.442 3.259 1.00 0.00 N ATOM 0 H ARG A 3 0.712 13.853 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 3 1.374 11.135 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.954 13.263 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.449 12.585 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.719 11.048 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.919 10.308 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.135 10.612 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.839 12.305 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 3 4.445 12.765 1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.085 9.502 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.323 9.209 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.740 12.373 3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.254 10.824 4.066 1.00 0.00 H new ATOM 61 N SER A 4 -0.998 10.593 -2.781 1.00 0.00 N ATOM 62 CA SER A 4 -2.399 10.187 -2.862 1.00 0.00 C ATOM 63 C SER A 4 -2.708 9.212 -1.735 1.00 0.00 C ATOM 64 O SER A 4 -1.794 8.643 -1.138 1.00 0.00 O ATOM 65 CB SER A 4 -2.679 9.515 -4.215 1.00 0.00 C ATOM 66 OG SER A 4 -3.632 8.473 -4.087 1.00 0.00 O ATOM 0 H SER A 4 -0.341 9.826 -2.924 1.00 0.00 H new ATOM 0 HA SER A 4 -3.032 11.070 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.043 10.259 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.751 9.114 -4.623 1.00 0.00 H new ATOM 0 HG SER A 4 -4.391 8.649 -4.681 1.00 0.00 H new ATOM 72 N THR A 5 -3.987 9.010 -1.443 1.00 0.00 N ATOM 73 CA THR A 5 -4.358 8.086 -0.380 1.00 0.00 C ATOM 74 C THR A 5 -5.661 7.347 -0.677 1.00 0.00 C ATOM 75 O THR A 5 -6.695 7.965 -0.933 1.00 0.00 O ATOM 76 CB THR A 5 -4.470 8.814 0.967 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.633 9.622 1.000 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.286 9.708 1.299 1.00 0.00 C ATOM 0 H THR A 5 -4.769 9.463 -1.916 1.00 0.00 H new ATOM 0 HA THR A 5 -3.561 7.345 -0.324 1.00 0.00 H new ATOM 0 HB THR A 5 -4.506 8.016 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.690 10.078 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.449 10.183 2.267 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.377 9.108 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.183 10.475 0.531 1.00 0.00 H new ATOM 86 N SER A 6 -5.604 6.015 -0.621 1.00 0.00 N ATOM 87 CA SER A 6 -6.782 5.182 -0.860 1.00 0.00 C ATOM 88 C SER A 6 -7.288 4.573 0.450 1.00 0.00 C ATOM 89 O SER A 6 -6.507 4.025 1.228 1.00 0.00 O ATOM 90 CB SER A 6 -6.456 4.070 -1.860 1.00 0.00 C ATOM 91 OG SER A 6 -7.622 3.351 -2.221 1.00 0.00 O ATOM 0 H SER A 6 -4.754 5.491 -0.412 1.00 0.00 H new ATOM 0 HA SER A 6 -7.566 5.814 -1.277 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.000 4.501 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.725 3.389 -1.425 1.00 0.00 H new ATOM 0 HG SER A 6 -7.599 3.151 -3.180 1.00 0.00 H new ATOM 97 N HIS A 7 -8.596 4.675 0.693 1.00 0.00 N ATOM 98 CA HIS A 7 -9.194 4.132 1.917 1.00 0.00 C ATOM 99 C HIS A 7 -10.162 2.986 1.609 1.00 0.00 C ATOM 100 O HIS A 7 -11.035 3.115 0.751 1.00 0.00 O ATOM 101 CB HIS A 7 -9.918 5.241 2.693 1.00 0.00 C ATOM 102 CG HIS A 7 -11.332 5.473 2.248 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.695 6.490 1.393 1.00 0.00 N ATOM 104 CD2 HIS A 7 -12.474 4.804 2.542 1.00 0.00 C ATOM 105 CE1 HIS A 7 -12.997 6.440 1.179 1.00 0.00 C ATOM 106 NE2 HIS A 7 -13.495 5.425 1.862 1.00 0.00 N ATOM 0 H HIS A 7 -9.260 5.126 0.063 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.387 3.733 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.918 4.988 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.357 6.170 2.587 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -11.057 7.175 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.565 3.944 3.189 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.560 7.115 0.551 1.00 0.00 H new ATOM 115 N VAL A 8 -10.004 1.865 2.315 1.00 0.00 N ATOM 116 CA VAL A 8 -10.868 0.703 2.116 1.00 0.00 C ATOM 117 C VAL A 8 -11.209 0.043 3.448 1.00 0.00 C ATOM 118 O VAL A 8 -10.431 0.123 4.398 1.00 0.00 O ATOM 119 CB VAL A 8 -10.202 -0.345 1.197 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.246 -1.258 0.569 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.361 0.329 0.123 1.00 0.00 C ATOM 0 H VAL A 8 -9.286 1.738 3.029 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.781 1.064 1.642 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.541 -0.957 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.752 -1.987 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.794 -1.779 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.940 -0.663 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.903 -0.431 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.996 0.974 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.581 0.927 0.594 1.00 0.00 H new ATOM 131 N ARG A 9 -12.355 -0.636 3.516 1.00 0.00 N ATOM 132 CA ARG A 9 -12.734 -1.323 4.751 1.00 0.00 C ATOM 133 C ARG A 9 -12.443 -2.818 4.627 1.00 0.00 C ATOM 134 O ARG A 9 -13.144 -3.543 3.921 1.00 0.00 O ATOM 135 CB ARG A 9 -14.214 -1.091 5.081 1.00 0.00 C ATOM 136 CG ARG A 9 -14.447 0.124 5.966 1.00 0.00 C ATOM 137 CD ARG A 9 -14.128 1.419 5.239 1.00 0.00 C ATOM 138 NE ARG A 9 -14.680 2.580 5.935 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.966 3.738 5.343 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.751 3.899 4.044 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.469 4.738 6.053 1.00 0.00 N ATOM 0 H ARG A 9 -13.023 -0.724 2.750 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.141 -0.912 5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.772 -0.969 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.612 -1.976 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.485 0.139 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.828 0.047 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.047 1.529 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.530 1.377 4.227 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.857 2.498 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.364 3.133 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.972 4.789 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.637 4.620 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.688 5.625 5.600 1.00 0.00 H new ATOM 155 N THR A 10 -11.388 -3.268 5.308 1.00 0.00 N ATOM 156 CA THR A 10 -10.975 -4.671 5.269 1.00 0.00 C ATOM 157 C THR A 10 -10.755 -5.249 6.672 1.00 0.00 C ATOM 158 O THR A 10 -10.488 -4.512 7.616 1.00 0.00 O ATOM 159 CB THR A 10 -9.709 -4.814 4.426 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.877 -5.824 3.449 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.481 -5.156 5.235 1.00 0.00 C ATOM 0 H THR A 10 -10.801 -2.677 5.896 1.00 0.00 H new ATOM 0 HA THR A 10 -11.783 -5.243 4.812 1.00 0.00 H new ATOM 0 HB THR A 10 -9.554 -3.837 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.046 -6.682 3.891 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.620 -5.242 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.297 -4.370 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.637 -6.103 5.751 1.00 0.00 H new ATOM 169 N GLU A 11 -10.837 -6.571 6.797 1.00 0.00 N ATOM 170 CA GLU A 11 -10.616 -7.235 8.083 1.00 0.00 C ATOM 171 C GLU A 11 -9.244 -7.927 8.133 1.00 0.00 C ATOM 172 O GLU A 11 -8.765 -8.442 7.121 1.00 0.00 O ATOM 173 CB GLU A 11 -11.722 -8.256 8.338 1.00 0.00 C ATOM 174 CG GLU A 11 -12.541 -7.950 9.577 1.00 0.00 C ATOM 175 CD GLU A 11 -14.032 -7.916 9.303 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.517 -6.890 8.783 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.714 -8.918 9.607 1.00 0.00 O ATOM 0 H GLU A 11 -11.054 -7.204 6.027 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.635 -6.472 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.383 -8.290 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.278 -9.246 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.333 -8.701 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.229 -6.988 9.985 1.00 0.00 H new ATOM 184 N SER A 12 -8.619 -7.943 9.319 1.00 0.00 N ATOM 185 CA SER A 12 -7.312 -8.579 9.500 1.00 0.00 C ATOM 186 C SER A 12 -6.257 -7.951 8.593 1.00 0.00 C ATOM 187 O SER A 12 -5.276 -8.591 8.215 1.00 0.00 O ATOM 188 CB SER A 12 -7.414 -10.078 9.237 1.00 0.00 C ATOM 189 OG SER A 12 -6.132 -10.680 9.186 1.00 0.00 O ATOM 0 H SER A 12 -9.000 -7.522 10.166 1.00 0.00 H new ATOM 0 HA SER A 12 -7.001 -8.420 10.533 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.008 -10.547 10.021 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.936 -10.250 8.296 1.00 0.00 H new ATOM 0 HG SER A 12 -5.587 -10.232 8.505 1.00 0.00 H new ATOM 195 N ALA A 13 -6.476 -6.691 8.254 1.00 0.00 N ATOM 196 CA ALA A 13 -5.562 -5.940 7.386 1.00 0.00 C ATOM 197 C ALA A 13 -4.103 -6.013 7.834 1.00 0.00 C ATOM 198 O ALA A 13 -3.211 -6.284 7.029 1.00 0.00 O ATOM 199 CB ALA A 13 -5.984 -4.486 7.336 1.00 0.00 C ATOM 0 H ALA A 13 -7.286 -6.156 8.567 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.624 -6.403 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.303 -3.931 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.997 -4.415 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.956 -4.064 8.341 1.00 0.00 H new ATOM 205 N ALA A 14 -3.859 -5.718 9.105 1.00 0.00 N ATOM 206 CA ALA A 14 -2.495 -5.693 9.655 1.00 0.00 C ATOM 207 C ALA A 14 -1.634 -6.885 9.223 1.00 0.00 C ATOM 208 O ALA A 14 -0.406 -6.806 9.250 1.00 0.00 O ATOM 209 CB ALA A 14 -2.558 -5.587 11.165 1.00 0.00 C ATOM 0 H ALA A 14 -4.587 -5.491 9.783 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.001 -4.814 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.547 -5.569 11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.078 -4.670 11.444 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.095 -6.446 11.568 1.00 0.00 H new ATOM 215 N ARG A 15 -2.267 -7.984 8.838 1.00 0.00 N ATOM 216 CA ARG A 15 -1.540 -9.182 8.416 1.00 0.00 C ATOM 217 C ARG A 15 -1.066 -9.081 6.975 1.00 0.00 C ATOM 218 O ARG A 15 0.009 -9.573 6.633 1.00 0.00 O ATOM 219 CB ARG A 15 -2.449 -10.400 8.570 1.00 0.00 C ATOM 220 CG ARG A 15 -1.765 -11.768 8.494 1.00 0.00 C ATOM 221 CD ARG A 15 -0.249 -11.698 8.346 1.00 0.00 C ATOM 222 NE ARG A 15 0.386 -12.887 8.907 1.00 0.00 N ATOM 223 CZ ARG A 15 0.606 -13.067 10.208 1.00 0.00 C ATOM 224 NH1 ARG A 15 0.243 -12.137 11.084 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.188 -14.179 10.635 1.00 0.00 N ATOM 0 H ARG A 15 -3.282 -8.075 8.808 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.658 -9.281 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.961 -10.326 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.215 -10.356 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.006 -12.333 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.177 -12.322 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.013 -11.604 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.129 -10.808 8.849 1.00 0.00 H new ATOM 0 HE ARG A 15 0.678 -13.623 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.207 -11.280 10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.414 -12.280 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.468 -14.897 9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.356 -14.316 11.632 1.00 0.00 H new ATOM 239 N TYR A 16 -1.865 -8.453 6.130 1.00 0.00 N ATOM 240 CA TYR A 16 -1.502 -8.316 4.728 1.00 0.00 C ATOM 241 C TYR A 16 -0.380 -7.299 4.554 1.00 0.00 C ATOM 242 O TYR A 16 0.341 -7.352 3.571 1.00 0.00 O ATOM 243 CB TYR A 16 -2.716 -7.949 3.864 1.00 0.00 C ATOM 244 CG TYR A 16 -3.911 -8.890 4.000 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.772 -10.222 4.402 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.193 -8.428 3.731 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.872 -11.048 4.525 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.295 -9.251 3.859 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.130 -10.558 4.256 1.00 0.00 C ATOM 250 OH TYR A 16 -7.227 -11.379 4.383 1.00 0.00 O ATOM 0 H TYR A 16 -2.759 -8.034 6.385 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.139 -9.285 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.036 -6.940 4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.407 -7.927 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.788 -10.611 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.331 -7.404 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.746 -12.076 4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.283 -8.870 3.648 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.038 -10.878 4.157 1.00 0.00 H new ATOM 260 N VAL A 17 -0.221 -6.382 5.509 1.00 0.00 N ATOM 261 CA VAL A 17 0.846 -5.382 5.422 1.00 0.00 C ATOM 262 C VAL A 17 2.169 -5.933 5.965 1.00 0.00 C ATOM 263 O VAL A 17 3.229 -5.717 5.378 1.00 0.00 O ATOM 264 CB VAL A 17 0.498 -4.079 6.189 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.747 -3.259 6.490 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.480 -3.226 5.406 1.00 0.00 C ATOM 0 H VAL A 17 -0.807 -6.310 6.340 1.00 0.00 H new ATOM 0 HA VAL A 17 0.950 -5.146 4.363 1.00 0.00 H new ATOM 0 HB VAL A 17 0.037 -4.381 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.467 -2.353 7.028 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.430 -3.848 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.239 -2.989 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.705 -2.320 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.040 -2.957 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.400 -3.787 5.239 1.00 0.00 H new ATOM 276 N ASN A 18 2.101 -6.608 7.109 1.00 0.00 N ATOM 277 CA ASN A 18 3.292 -7.147 7.756 1.00 0.00 C ATOM 278 C ASN A 18 3.916 -8.306 6.986 1.00 0.00 C ATOM 279 O ASN A 18 5.129 -8.496 7.035 1.00 0.00 O ATOM 280 CB ASN A 18 2.955 -7.597 9.178 1.00 0.00 C ATOM 281 CG ASN A 18 2.468 -6.453 10.046 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.750 -5.287 9.773 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.729 -6.783 11.100 1.00 0.00 N ATOM 0 H ASN A 18 1.231 -6.795 7.608 1.00 0.00 H new ATOM 0 HA ASN A 18 4.028 -6.344 7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.189 -8.372 9.139 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.838 -8.045 9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.372 -6.056 11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.519 -7.763 11.289 1.00 0.00 H new ATOM 290 N ARG A 19 3.103 -9.102 6.304 1.00 0.00 N ATOM 291 CA ARG A 19 3.638 -10.252 5.571 1.00 0.00 C ATOM 292 C ARG A 19 4.235 -9.867 4.216 1.00 0.00 C ATOM 293 O ARG A 19 5.010 -10.628 3.639 1.00 0.00 O ATOM 294 CB ARG A 19 2.559 -11.320 5.399 1.00 0.00 C ATOM 295 CG ARG A 19 2.824 -12.579 6.210 1.00 0.00 C ATOM 296 CD ARG A 19 2.777 -12.306 7.707 1.00 0.00 C ATOM 297 NE ARG A 19 4.017 -11.718 8.210 1.00 0.00 N ATOM 298 CZ ARG A 19 4.091 -10.998 9.331 1.00 0.00 C ATOM 299 NH1 ARG A 19 3.004 -10.773 10.058 1.00 0.00 N ATOM 300 NH2 ARG A 19 5.254 -10.502 9.726 1.00 0.00 N ATOM 0 H ARG A 19 2.092 -8.981 6.240 1.00 0.00 H new ATOM 0 HA ARG A 19 4.455 -10.657 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.595 -10.903 5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.484 -11.585 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.084 -13.338 5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.801 -12.984 5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.946 -11.634 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.580 -13.238 8.237 1.00 0.00 H new ATOM 0 HE ARG A 19 4.873 -11.866 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.105 -11.151 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.068 -10.222 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.094 -10.670 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.309 -9.952 10.583 1.00 0.00 H new ATOM 314 N LEU A 20 3.875 -8.697 3.705 1.00 0.00 N ATOM 315 CA LEU A 20 4.392 -8.248 2.407 1.00 0.00 C ATOM 316 C LEU A 20 5.894 -7.980 2.446 1.00 0.00 C ATOM 317 O LEU A 20 6.630 -8.429 1.567 1.00 0.00 O ATOM 318 CB LEU A 20 3.672 -6.985 1.942 1.00 0.00 C ATOM 319 CG LEU A 20 2.169 -7.133 1.733 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.623 -5.915 1.006 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.824 -8.409 0.963 1.00 0.00 C ATOM 0 H LEU A 20 3.235 -8.044 4.158 1.00 0.00 H new ATOM 0 HA LEU A 20 4.206 -9.059 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.845 -6.197 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.122 -6.654 1.006 1.00 0.00 H new ATOM 0 HG LEU A 20 1.703 -7.208 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.549 -6.029 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.816 -5.021 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.112 -5.820 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.744 -8.476 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.304 -8.385 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.178 -9.277 1.519 1.00 0.00 H new ATOM 333 N CYS A 21 6.347 -7.240 3.454 1.00 0.00 N ATOM 334 CA CYS A 21 7.769 -6.913 3.579 1.00 0.00 C ATOM 335 C CYS A 21 8.635 -8.154 3.397 1.00 0.00 C ATOM 336 O CYS A 21 9.658 -8.122 2.717 1.00 0.00 O ATOM 337 CB CYS A 21 8.055 -6.290 4.946 1.00 0.00 C ATOM 338 SG CYS A 21 7.643 -7.366 6.336 1.00 0.00 S ATOM 0 H CYS A 21 5.757 -6.857 4.193 1.00 0.00 H new ATOM 0 HA CYS A 21 8.014 -6.196 2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.112 -6.028 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.491 -5.362 5.037 1.00 0.00 H new ATOM 0 HG CYS A 21 6.363 -7.591 6.346 1.00 0.00 H new ATOM 344 N LYS A 22 8.209 -9.247 4.006 1.00 0.00 N ATOM 345 CA LYS A 22 8.934 -10.506 3.917 1.00 0.00 C ATOM 346 C LYS A 22 8.664 -11.193 2.581 1.00 0.00 C ATOM 347 O LYS A 22 9.418 -12.069 2.156 1.00 0.00 O ATOM 348 CB LYS A 22 8.536 -11.421 5.077 1.00 0.00 C ATOM 349 CG LYS A 22 8.822 -10.829 6.453 1.00 0.00 C ATOM 350 CD LYS A 22 7.694 -11.116 7.427 1.00 0.00 C ATOM 351 CE LYS A 22 7.650 -12.583 7.815 1.00 0.00 C ATOM 352 NZ LYS A 22 8.729 -12.936 8.780 1.00 0.00 N ATOM 0 H LYS A 22 7.361 -9.289 4.571 1.00 0.00 H new ATOM 0 HA LYS A 22 10.002 -10.297 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.472 -11.645 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.069 -12.367 4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.753 -11.241 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.963 -9.752 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.821 -10.506 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.743 -10.829 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.680 -12.813 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.748 -13.198 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.603 -13.918 9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.655 -12.838 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.683 -12.299 9.601 1.00 0.00 H new ATOM 366 N HIS A 23 7.573 -10.797 1.933 1.00 0.00 N ATOM 367 CA HIS A 23 7.179 -11.378 0.654 1.00 0.00 C ATOM 368 C HIS A 23 7.909 -10.727 -0.519 1.00 0.00 C ATOM 369 O HIS A 23 8.597 -11.409 -1.279 1.00 0.00 O ATOM 370 CB HIS A 23 5.667 -11.245 0.458 1.00 0.00 C ATOM 371 CG HIS A 23 5.080 -12.317 -0.406 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.977 -13.059 -0.039 1.00 0.00 N ATOM 373 CD2 HIS A 23 5.448 -12.772 -1.627 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.692 -13.924 -0.998 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.569 -13.769 -1.972 1.00 0.00 N ATOM 0 H HIS A 23 6.943 -10.072 2.275 1.00 0.00 H new ATOM 0 HA HIS A 23 7.456 -12.432 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.179 -11.267 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.450 -10.273 0.015 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.278 -12.417 -2.219 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.880 -14.636 -0.986 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.590 -14.303 -2.841 1.00 0.00 H new ATOM 384 N TRP A 24 7.752 -9.413 -0.680 1.00 0.00 N ATOM 385 CA TRP A 24 8.397 -8.709 -1.780 1.00 0.00 C ATOM 386 C TRP A 24 9.821 -8.286 -1.415 1.00 0.00 C ATOM 387 O TRP A 24 10.597 -7.896 -2.286 1.00 0.00 O ATOM 388 CB TRP A 24 7.571 -7.488 -2.183 1.00 0.00 C ATOM 389 CG TRP A 24 6.223 -7.839 -2.734 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.159 -8.339 -2.040 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.796 -7.719 -4.095 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.095 -8.537 -2.888 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.461 -8.163 -4.154 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.411 -7.277 -5.270 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.733 -8.178 -5.341 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.687 -7.294 -6.448 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.361 -7.741 -6.476 1.00 0.00 C ATOM 0 H TRP A 24 7.189 -8.823 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 24 8.458 -9.395 -2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.444 -6.842 -1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.122 -6.915 -2.929 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.154 -8.548 -0.980 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.182 -8.903 -2.618 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.433 -6.929 -5.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.710 -8.522 -5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.153 -6.957 -7.362 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.822 -7.741 -7.412 1.00 0.00 H new ATOM 408 N GLY A 25 10.165 -8.363 -0.125 1.00 0.00 N ATOM 409 CA GLY A 25 11.498 -7.983 0.305 1.00 0.00 C ATOM 410 C GLY A 25 12.568 -8.932 -0.198 1.00 0.00 C ATOM 411 O GLY A 25 13.177 -9.661 0.585 1.00 0.00 O ATOM 0 H GLY A 25 9.546 -8.680 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.716 -6.975 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.529 -7.952 1.394 1.00 0.00 H new ATOM 415 N HIS A 26 12.800 -8.920 -1.505 1.00 0.00 N ATOM 416 CA HIS A 26 13.806 -9.784 -2.110 1.00 0.00 C ATOM 417 C HIS A 26 14.983 -8.963 -2.626 1.00 0.00 C ATOM 418 O HIS A 26 16.124 -9.423 -2.620 1.00 0.00 O ATOM 419 CB HIS A 26 13.190 -10.598 -3.252 1.00 0.00 C ATOM 420 CG HIS A 26 13.134 -12.068 -2.975 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.962 -13.014 -3.964 1.00 0.00 N ATOM 422 CD2 HIS A 26 13.228 -12.755 -1.812 1.00 0.00 C ATOM 423 CE1 HIS A 26 12.952 -14.219 -3.420 1.00 0.00 C ATOM 424 NE2 HIS A 26 13.113 -14.088 -2.116 1.00 0.00 N ATOM 0 H HIS A 26 12.305 -8.321 -2.166 1.00 0.00 H new ATOM 0 HA HIS A 26 14.172 -10.469 -1.346 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.181 -10.234 -3.444 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.768 -10.429 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.368 -12.332 -0.828 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.833 -15.151 -3.952 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.146 -14.854 -1.443 1.00 0.00 H new ATOM 433 N LYS A 27 14.695 -7.745 -3.075 1.00 0.00 N ATOM 434 CA LYS A 27 15.730 -6.860 -3.598 1.00 0.00 C ATOM 435 C LYS A 27 15.380 -5.397 -3.310 1.00 0.00 C ATOM 436 O LYS A 27 15.877 -4.485 -3.965 1.00 0.00 O ATOM 437 CB LYS A 27 15.890 -7.103 -5.107 1.00 0.00 C ATOM 438 CG LYS A 27 16.785 -6.101 -5.826 1.00 0.00 C ATOM 439 CD LYS A 27 15.961 -5.124 -6.652 1.00 0.00 C ATOM 440 CE LYS A 27 16.430 -3.690 -6.471 1.00 0.00 C ATOM 441 NZ LYS A 27 16.362 -2.918 -7.742 1.00 0.00 N ATOM 0 H LYS A 27 13.755 -7.349 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 27 16.677 -7.076 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.295 -8.104 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.903 -7.085 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.381 -5.553 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.483 -6.632 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.025 -5.396 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.912 -5.201 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.816 -3.200 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.455 -3.688 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.009 -2.105 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.639 -3.531 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.390 -2.578 -7.890 1.00 0.00 H new ATOM 455 N PHE A 28 14.521 -5.178 -2.316 1.00 0.00 N ATOM 456 CA PHE A 28 14.116 -3.829 -1.951 1.00 0.00 C ATOM 457 C PHE A 28 14.019 -3.676 -0.441 1.00 0.00 C ATOM 458 O PHE A 28 13.843 -4.654 0.285 1.00 0.00 O ATOM 459 CB PHE A 28 12.776 -3.483 -2.600 1.00 0.00 C ATOM 460 CG PHE A 28 12.887 -3.152 -4.061 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.257 -1.881 -4.470 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.623 -4.113 -5.023 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.362 -1.574 -5.813 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.726 -3.812 -6.368 1.00 0.00 C ATOM 465 CZ PHE A 28 13.095 -2.541 -6.764 1.00 0.00 C ATOM 0 H PHE A 28 14.096 -5.915 -1.754 1.00 0.00 H new ATOM 0 HA PHE A 28 14.877 -3.139 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.093 -4.324 -2.477 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.335 -2.635 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.466 -1.122 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.334 -5.108 -4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.652 -0.580 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.518 -4.570 -7.109 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.175 -2.303 -7.815 1.00 0.00 H new ATOM 475 N GLU A 29 14.127 -2.437 0.024 1.00 0.00 N ATOM 476 CA GLU A 29 14.041 -2.156 1.450 1.00 0.00 C ATOM 477 C GLU A 29 12.593 -2.240 1.904 1.00 0.00 C ATOM 478 O GLU A 29 11.740 -1.484 1.438 1.00 0.00 O ATOM 479 CB GLU A 29 14.619 -0.778 1.767 1.00 0.00 C ATOM 480 CG GLU A 29 14.202 0.298 0.782 1.00 0.00 C ATOM 481 CD GLU A 29 15.286 0.618 -0.228 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.348 -0.066 -1.271 1.00 0.00 O ATOM 483 OE2 GLU A 29 16.075 1.552 0.026 1.00 0.00 O ATOM 0 H GLU A 29 14.273 -1.616 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 29 14.628 -2.900 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.305 -0.483 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.707 -0.844 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.304 -0.026 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.942 1.204 1.329 1.00 0.00 H new ATOM 490 N VAL A 30 12.312 -3.182 2.793 1.00 0.00 N ATOM 491 CA VAL A 30 10.955 -3.383 3.281 1.00 0.00 C ATOM 492 C VAL A 30 10.888 -3.364 4.809 1.00 0.00 C ATOM 493 O VAL A 30 11.439 -4.239 5.475 1.00 0.00 O ATOM 494 CB VAL A 30 10.376 -4.725 2.767 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.562 -4.526 1.496 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.489 -5.735 2.526 1.00 0.00 C ATOM 0 H VAL A 30 13.004 -3.818 3.190 1.00 0.00 H new ATOM 0 HA VAL A 30 10.360 -2.555 2.897 1.00 0.00 H new ATOM 0 HB VAL A 30 9.711 -5.114 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.170 -5.486 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.734 -3.846 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.199 -4.103 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.060 -6.670 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.182 -5.343 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.024 -5.917 3.458 1.00 0.00 H new ATOM 506 N GLU A 31 10.193 -2.366 5.357 1.00 0.00 N ATOM 507 CA GLU A 31 10.036 -2.239 6.802 1.00 0.00 C ATOM 508 C GLU A 31 8.752 -2.928 7.254 1.00 0.00 C ATOM 509 O GLU A 31 7.836 -3.129 6.457 1.00 0.00 O ATOM 510 CB GLU A 31 10.018 -0.764 7.211 1.00 0.00 C ATOM 511 CG GLU A 31 10.894 -0.457 8.414 1.00 0.00 C ATOM 512 CD GLU A 31 11.084 1.031 8.633 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.093 1.781 7.634 1.00 0.00 O ATOM 514 OE2 GLU A 31 11.224 1.447 9.802 1.00 0.00 O ATOM 0 H GLU A 31 9.730 -1.634 4.819 1.00 0.00 H new ATOM 0 HA GLU A 31 10.884 -2.722 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.348 -0.157 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.992 -0.470 7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.448 -0.897 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.868 -0.928 8.279 1.00 0.00 H new ATOM 521 N LEU A 32 8.690 -3.305 8.528 1.00 0.00 N ATOM 522 CA LEU A 32 7.513 -3.990 9.057 1.00 0.00 C ATOM 523 C LEU A 32 7.167 -3.522 10.465 1.00 0.00 C ATOM 524 O LEU A 32 7.863 -3.843 11.428 1.00 0.00 O ATOM 525 CB LEU A 32 7.754 -5.502 9.057 1.00 0.00 C ATOM 526 CG LEU A 32 6.511 -6.395 9.220 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.929 -7.836 9.478 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.623 -5.893 10.355 1.00 0.00 C ATOM 0 H LEU A 32 9.434 -3.150 9.209 1.00 0.00 H new ATOM 0 HA LEU A 32 6.668 -3.747 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.246 -5.769 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.451 -5.737 9.862 1.00 0.00 H new ATOM 0 HG LEU A 32 5.937 -6.352 8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.041 -8.458 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.521 -8.199 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.525 -7.884 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.752 -6.541 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.185 -5.903 11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.297 -4.876 10.139 1.00 0.00 H new ATOM 540 N THR A 33 6.065 -2.790 10.577 1.00 0.00 N ATOM 541 CA THR A 33 5.593 -2.307 11.869 1.00 0.00 C ATOM 542 C THR A 33 4.128 -2.692 12.032 1.00 0.00 C ATOM 543 O THR A 33 3.414 -2.841 11.041 1.00 0.00 O ATOM 544 CB THR A 33 5.754 -0.790 11.966 1.00 0.00 C ATOM 545 OG1 THR A 33 5.595 -0.186 10.695 1.00 0.00 O ATOM 546 CG2 THR A 33 7.100 -0.364 12.511 1.00 0.00 C ATOM 0 H THR A 33 5.480 -2.517 9.787 1.00 0.00 H new ATOM 0 HA THR A 33 6.185 -2.761 12.664 1.00 0.00 H new ATOM 0 HB THR A 33 4.979 -0.462 12.659 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.967 -0.713 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.147 0.724 12.553 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.233 -0.772 13.513 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.891 -0.736 11.860 1.00 0.00 H new ATOM 554 N PRO A 34 3.649 -2.851 13.271 1.00 0.00 N ATOM 555 CA PRO A 34 2.253 -3.209 13.521 1.00 0.00 C ATOM 556 C PRO A 34 1.329 -2.040 13.239 1.00 0.00 C ATOM 557 O PRO A 34 0.546 -1.625 14.094 1.00 0.00 O ATOM 558 CB PRO A 34 2.235 -3.572 14.999 1.00 0.00 C ATOM 559 CG PRO A 34 3.380 -2.826 15.599 1.00 0.00 C ATOM 560 CD PRO A 34 4.416 -2.681 14.514 1.00 0.00 C ATOM 0 HA PRO A 34 1.905 -4.019 12.880 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.292 -3.285 15.463 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.347 -4.647 15.142 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.059 -1.849 15.961 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.788 -3.365 16.454 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.903 -1.707 14.553 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.200 -3.433 14.606 1.00 0.00 H new ATOM 568 N GLU A 35 1.449 -1.509 12.030 1.00 0.00 N ATOM 569 CA GLU A 35 0.658 -0.369 11.602 1.00 0.00 C ATOM 570 C GLU A 35 0.712 -0.198 10.085 1.00 0.00 C ATOM 571 O GLU A 35 -0.270 0.212 9.467 1.00 0.00 O ATOM 572 CB GLU A 35 1.185 0.904 12.271 1.00 0.00 C ATOM 573 CG GLU A 35 1.011 0.924 13.779 1.00 0.00 C ATOM 574 CD GLU A 35 1.166 2.311 14.367 1.00 0.00 C ATOM 575 OE1 GLU A 35 0.615 3.269 13.783 1.00 0.00 O ATOM 576 OE2 GLU A 35 1.837 2.442 15.412 1.00 0.00 O ATOM 0 H GLU A 35 2.096 -1.857 11.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.377 -0.546 11.895 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.244 1.015 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.672 1.766 11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.025 0.535 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.743 0.257 14.234 1.00 0.00 H new ATOM 583 N ARG A 36 1.869 -0.493 9.487 1.00 0.00 N ATOM 584 CA ARG A 36 2.034 -0.346 8.051 1.00 0.00 C ATOM 585 C ARG A 36 3.332 -0.960 7.553 1.00 0.00 C ATOM 586 O ARG A 36 4.222 -1.304 8.330 1.00 0.00 O ATOM 587 CB ARG A 36 2.016 1.134 7.664 1.00 0.00 C ATOM 588 CG ARG A 36 2.895 1.997 8.555 1.00 0.00 C ATOM 589 CD ARG A 36 2.645 3.479 8.332 1.00 0.00 C ATOM 590 NE ARG A 36 3.881 4.255 8.364 1.00 0.00 N ATOM 591 CZ ARG A 36 4.654 4.377 9.442 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.316 3.785 10.580 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.765 5.098 9.382 1.00 0.00 N ATOM 0 H ARG A 36 2.697 -0.833 9.977 1.00 0.00 H new ATOM 0 HA ARG A 36 1.202 -0.874 7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.346 1.237 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.991 1.502 7.709 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.706 1.750 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.943 1.772 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.152 3.622 7.370 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.964 3.851 9.098 1.00 0.00 H new ATOM 0 HE ARG A 36 4.170 4.732 7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.460 3.233 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.912 3.882 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.027 5.559 8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.357 5.192 10.207 1.00 0.00 H new ATOM 607 N GLY A 37 3.432 -1.048 6.234 1.00 0.00 N ATOM 608 CA GLY A 37 4.622 -1.569 5.597 1.00 0.00 C ATOM 609 C GLY A 37 5.300 -0.471 4.798 1.00 0.00 C ATOM 610 O GLY A 37 4.629 0.437 4.314 1.00 0.00 O ATOM 0 H GLY A 37 2.697 -0.763 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.307 -1.960 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.361 -2.400 4.942 1.00 0.00 H new ATOM 614 N PHE A 38 6.617 -0.522 4.671 1.00 0.00 N ATOM 615 CA PHE A 38 7.345 0.509 3.941 1.00 0.00 C ATOM 616 C PHE A 38 8.249 -0.117 2.893 1.00 0.00 C ATOM 617 O PHE A 38 9.181 -0.848 3.220 1.00 0.00 O ATOM 618 CB PHE A 38 8.158 1.339 4.934 1.00 0.00 C ATOM 619 CG PHE A 38 8.980 2.442 4.322 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.369 3.525 3.706 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.366 2.415 4.395 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.121 4.553 3.175 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.122 3.440 3.859 1.00 0.00 C ATOM 624 CZ PHE A 38 10.499 4.511 3.250 1.00 0.00 C ATOM 0 H PHE A 38 7.202 -1.261 5.061 1.00 0.00 H new ATOM 0 HA PHE A 38 6.639 1.157 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.475 1.777 5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.824 0.672 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.292 3.564 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.859 1.583 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.631 5.391 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.200 3.403 3.916 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.088 5.314 2.833 1.00 0.00 H new ATOM 634 N ILE A 39 7.971 0.183 1.632 1.00 0.00 N ATOM 635 CA ILE A 39 8.769 -0.349 0.532 1.00 0.00 C ATOM 636 C ILE A 39 9.144 0.778 -0.424 1.00 0.00 C ATOM 637 O ILE A 39 8.313 1.230 -1.212 1.00 0.00 O ATOM 638 CB ILE A 39 8.013 -1.446 -0.264 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.170 -2.334 0.673 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.004 -2.288 -1.063 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.786 -3.681 0.084 1.00 0.00 C ATOM 0 H ILE A 39 7.203 0.789 1.344 1.00 0.00 H new ATOM 0 HA ILE A 39 9.661 -0.798 0.969 1.00 0.00 H new ATOM 0 HB ILE A 39 7.328 -0.957 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.727 -2.500 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.261 -1.796 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.465 -3.055 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.546 -1.649 -1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.711 -2.762 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.195 -4.240 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.199 -3.528 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.688 -4.242 -0.159 1.00 0.00 H new ATOM 704 N SER A 44 10.761 6.866 -5.369 1.00 0.00 N ATOM 705 CA SER A 44 9.360 6.481 -5.230 1.00 0.00 C ATOM 706 C SER A 44 9.213 5.563 -4.014 1.00 0.00 C ATOM 707 O SER A 44 10.181 4.923 -3.604 1.00 0.00 O ATOM 708 CB SER A 44 8.877 5.776 -6.504 1.00 0.00 C ATOM 709 OG SER A 44 9.909 4.987 -7.069 1.00 0.00 O ATOM 0 HA SER A 44 8.747 7.370 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.018 5.146 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.542 6.517 -7.230 1.00 0.00 H new ATOM 0 HG SER A 44 10.778 5.306 -6.747 1.00 0.00 H new ATOM 715 N ASN A 45 8.018 5.502 -3.426 1.00 0.00 N ATOM 716 CA ASN A 45 7.802 4.661 -2.251 1.00 0.00 C ATOM 717 C ASN A 45 6.353 4.194 -2.188 1.00 0.00 C ATOM 718 O ASN A 45 5.497 4.715 -2.904 1.00 0.00 O ATOM 719 CB ASN A 45 8.159 5.424 -0.965 1.00 0.00 C ATOM 720 CG ASN A 45 9.360 6.341 -1.132 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.424 6.100 -0.564 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.194 7.403 -1.912 1.00 0.00 N ATOM 0 H ASN A 45 7.196 6.018 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 45 8.452 3.790 -2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.299 6.015 -0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.364 4.708 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.965 8.054 -2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.295 7.567 -2.365 1.00 0.00 H new ATOM 729 N CYS A 46 6.074 3.213 -1.333 1.00 0.00 N ATOM 730 CA CYS A 46 4.720 2.701 -1.200 1.00 0.00 C ATOM 731 C CYS A 46 4.477 2.166 0.207 1.00 0.00 C ATOM 732 O CYS A 46 4.917 1.071 0.554 1.00 0.00 O ATOM 733 CB CYS A 46 4.473 1.605 -2.232 1.00 0.00 C ATOM 734 SG CYS A 46 2.731 1.337 -2.624 1.00 0.00 S ATOM 0 H CYS A 46 6.762 2.763 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 46 4.023 3.520 -1.377 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.005 1.858 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.899 0.672 -1.863 1.00 0.00 H new ATOM 0 HG CYS A 46 2.626 0.391 -3.509 1.00 0.00 H new ATOM 740 N GLU A 47 3.771 2.951 1.011 1.00 0.00 N ATOM 741 CA GLU A 47 3.461 2.572 2.382 1.00 0.00 C ATOM 742 C GLU A 47 2.014 2.104 2.477 1.00 0.00 C ATOM 743 O GLU A 47 1.173 2.522 1.681 1.00 0.00 O ATOM 744 CB GLU A 47 3.699 3.775 3.303 1.00 0.00 C ATOM 745 CG GLU A 47 4.196 3.437 4.704 1.00 0.00 C ATOM 746 CD GLU A 47 5.080 4.527 5.278 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.795 5.716 5.025 1.00 0.00 O ATOM 748 OE2 GLU A 47 6.056 4.192 5.981 1.00 0.00 O ATOM 0 H GLU A 47 3.400 3.860 0.734 1.00 0.00 H new ATOM 0 HA GLU A 47 4.108 1.751 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.424 4.437 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.767 4.334 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.342 3.280 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.751 2.500 4.674 1.00 0.00 H new ATOM 755 N LEU A 48 1.716 1.239 3.444 1.00 0.00 N ATOM 756 CA LEU A 48 0.352 0.745 3.596 1.00 0.00 C ATOM 757 C LEU A 48 -0.038 0.610 5.053 1.00 0.00 C ATOM 758 O LEU A 48 0.595 -0.118 5.807 1.00 0.00 O ATOM 759 CB LEU A 48 0.145 -0.600 2.878 1.00 0.00 C ATOM 760 CG LEU A 48 1.328 -1.581 2.892 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.948 -2.884 2.197 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.552 -0.966 2.227 1.00 0.00 C ATOM 0 H LEU A 48 2.386 0.873 4.120 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.295 1.489 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.714 -1.097 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.114 -0.395 1.839 1.00 0.00 H new ATOM 0 HG LEU A 48 1.576 -1.797 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.797 -3.567 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.104 -3.340 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.671 -2.678 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.376 -1.680 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.317 -0.716 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.841 -0.062 2.762 1.00 0.00 H new ATOM 774 N LEU A 49 -1.114 1.292 5.430 1.00 0.00 N ATOM 775 CA LEU A 49 -1.618 1.222 6.802 1.00 0.00 C ATOM 776 C LEU A 49 -2.603 0.078 6.901 1.00 0.00 C ATOM 777 O LEU A 49 -3.496 -0.047 6.065 1.00 0.00 O ATOM 778 CB LEU A 49 -2.289 2.529 7.228 1.00 0.00 C ATOM 779 CG LEU A 49 -2.365 2.746 8.743 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.310 3.744 9.197 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.756 3.217 9.142 1.00 0.00 C ATOM 0 H LEU A 49 -1.653 1.897 4.811 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.775 1.057 7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.746 3.362 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.300 2.552 6.820 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.167 1.795 9.237 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.381 3.884 10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.319 3.366 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.473 4.698 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.794 3.367 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.981 4.157 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.491 2.466 8.854 1.00 0.00 H new ATOM 793 N ALA A 50 -2.426 -0.783 7.892 1.00 0.00 N ATOM 794 CA ALA A 50 -3.300 -1.933 8.025 1.00 0.00 C ATOM 795 C ALA A 50 -3.756 -2.195 9.452 1.00 0.00 C ATOM 796 O ALA A 50 -2.986 -2.649 10.297 1.00 0.00 O ATOM 797 CB ALA A 50 -2.605 -3.151 7.451 1.00 0.00 C ATOM 0 H ALA A 50 -1.698 -0.708 8.603 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.210 -1.714 7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.256 -4.020 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.381 -2.980 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.677 -3.330 7.994 1.00 0.00 H new ATOM 803 N HIS A 51 -5.041 -1.943 9.692 1.00 0.00 N ATOM 804 CA HIS A 51 -5.648 -2.182 10.980 1.00 0.00 C ATOM 805 C HIS A 51 -6.664 -3.327 10.849 1.00 0.00 C ATOM 806 O HIS A 51 -7.208 -3.569 9.773 1.00 0.00 O ATOM 807 CB HIS A 51 -6.307 -0.905 11.524 1.00 0.00 C ATOM 808 CG HIS A 51 -6.029 -0.660 12.975 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.943 -0.077 13.829 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.933 -0.926 13.727 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.421 0.007 15.040 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.203 -0.502 15.004 1.00 0.00 N ATOM 0 H HIS A 51 -5.682 -1.568 8.993 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.879 -2.471 11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.956 -0.050 10.946 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.385 -0.970 11.375 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -7.876 0.240 13.566 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.018 -1.386 13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.907 0.421 15.911 1.00 0.00 H new ATOM 821 N PRO A 52 -6.907 -4.056 11.942 1.00 0.00 N ATOM 822 CA PRO A 52 -7.826 -5.201 11.978 1.00 0.00 C ATOM 823 C PRO A 52 -9.129 -5.000 11.204 1.00 0.00 C ATOM 824 O PRO A 52 -9.793 -5.978 10.859 1.00 0.00 O ATOM 825 CB PRO A 52 -8.109 -5.360 13.469 1.00 0.00 C ATOM 826 CG PRO A 52 -6.864 -4.888 14.133 1.00 0.00 C ATOM 827 CD PRO A 52 -6.282 -3.820 13.242 1.00 0.00 C ATOM 0 HA PRO A 52 -7.381 -6.072 11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.972 -4.768 13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.327 -6.397 13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.080 -4.491 15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.160 -5.709 14.265 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.508 -2.822 13.617 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.197 -3.900 13.182 1.00 0.00 H new ATOM 835 N ASP A 53 -9.518 -3.753 10.941 1.00 0.00 N ATOM 836 CA ASP A 53 -10.764 -3.509 10.221 1.00 0.00 C ATOM 837 C ASP A 53 -10.634 -2.449 9.134 1.00 0.00 C ATOM 838 O ASP A 53 -11.583 -2.226 8.381 1.00 0.00 O ATOM 839 CB ASP A 53 -11.871 -3.113 11.201 1.00 0.00 C ATOM 840 CG ASP A 53 -11.597 -1.782 11.875 1.00 0.00 C ATOM 841 OD1 ASP A 53 -10.501 -1.624 12.454 1.00 0.00 O ATOM 842 OD2 ASP A 53 -12.477 -0.898 11.824 1.00 0.00 O ATOM 0 H ASP A 53 -9.002 -2.915 11.209 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.020 -4.444 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.821 -3.059 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.974 -3.888 11.961 1.00 0.00 H new ATOM 847 N HIS A 54 -9.478 -1.808 9.020 1.00 0.00 N ATOM 848 CA HIS A 54 -9.310 -0.807 7.973 1.00 0.00 C ATOM 849 C HIS A 54 -7.889 -0.798 7.418 1.00 0.00 C ATOM 850 O HIS A 54 -6.953 -1.243 8.083 1.00 0.00 O ATOM 851 CB HIS A 54 -9.708 0.586 8.465 1.00 0.00 C ATOM 852 CG HIS A 54 -8.936 1.060 9.658 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.710 1.683 9.560 1.00 0.00 N ATOM 854 CD2 HIS A 54 -9.230 1.016 10.979 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.284 2.003 10.769 1.00 0.00 C ATOM 856 NE2 HIS A 54 -8.187 1.610 11.649 1.00 0.00 N ATOM 0 H HIS A 54 -8.665 -1.955 9.619 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.980 -1.084 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.572 1.299 7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.770 0.582 8.711 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.210 1.868 8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.119 0.593 11.424 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.354 2.502 10.999 1.00 0.00 H new ATOM 865 N VAL A 55 -7.731 -0.297 6.190 1.00 0.00 N ATOM 866 CA VAL A 55 -6.428 -0.243 5.553 1.00 0.00 C ATOM 867 C VAL A 55 -6.252 1.063 4.785 1.00 0.00 C ATOM 868 O VAL A 55 -7.151 1.505 4.071 1.00 0.00 O ATOM 869 CB VAL A 55 -6.223 -1.447 4.601 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.744 -1.159 3.197 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.761 -1.862 4.553 1.00 0.00 C ATOM 0 H VAL A 55 -8.493 0.075 5.624 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.675 -0.291 6.340 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.805 -2.275 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.580 -2.030 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.811 -0.939 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.214 -0.302 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.645 -2.709 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.158 -1.028 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.431 -2.147 5.552 1.00 0.00 H new ATOM 881 N LEU A 56 -5.082 1.663 4.929 1.00 0.00 N ATOM 882 CA LEU A 56 -4.771 2.913 4.241 1.00 0.00 C ATOM 883 C LEU A 56 -3.625 2.684 3.262 1.00 0.00 C ATOM 884 O LEU A 56 -2.713 1.906 3.536 1.00 0.00 O ATOM 885 CB LEU A 56 -4.403 4.025 5.245 1.00 0.00 C ATOM 886 CG LEU A 56 -5.377 5.210 5.339 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.920 6.184 6.416 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.510 5.930 4.002 1.00 0.00 C ATOM 0 H LEU A 56 -4.328 1.307 5.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.656 3.238 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.314 3.576 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.419 4.412 4.981 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.357 4.815 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.619 7.019 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.887 5.673 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.926 6.559 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.206 6.762 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.535 6.308 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.884 5.235 3.250 1.00 0.00 H new ATOM 900 N MET A 57 -3.684 3.346 2.115 1.00 0.00 N ATOM 901 CA MET A 57 -2.651 3.188 1.100 1.00 0.00 C ATOM 902 C MET A 57 -2.089 4.542 0.675 1.00 0.00 C ATOM 903 O MET A 57 -2.798 5.358 0.089 1.00 0.00 O ATOM 904 CB MET A 57 -3.229 2.427 -0.096 1.00 0.00 C ATOM 905 CG MET A 57 -4.136 1.280 0.328 1.00 0.00 C ATOM 906 SD MET A 57 -4.808 0.368 -1.074 1.00 0.00 S ATOM 907 CE MET A 57 -6.560 0.665 -0.861 1.00 0.00 C ATOM 0 H MET A 57 -4.431 3.994 1.865 1.00 0.00 H new ATOM 0 HA MET A 57 -1.824 2.614 1.518 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.791 3.117 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.413 2.036 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.576 0.596 0.966 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.957 1.674 0.927 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.077 0.486 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.953 -0.007 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.719 1.698 -0.551 1.00 0.00 H new ATOM 917 N ILE A 58 -0.808 4.780 0.980 1.00 0.00 N ATOM 918 CA ILE A 58 -0.166 6.036 0.634 1.00 0.00 C ATOM 919 C ILE A 58 1.107 5.797 -0.170 1.00 0.00 C ATOM 920 O ILE A 58 1.896 4.908 0.148 1.00 0.00 O ATOM 921 CB ILE A 58 0.199 6.847 1.897 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.019 6.989 2.828 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.756 8.205 1.502 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.335 8.416 3.235 1.00 0.00 C ATOM 0 H ILE A 58 -0.204 4.116 1.464 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.880 6.600 0.034 1.00 0.00 H new ATOM 0 HB ILE A 58 0.970 6.310 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.892 6.564 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.844 6.398 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.010 8.769 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.650 8.069 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.008 8.753 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.206 8.423 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.481 8.841 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.545 9.010 2.346 1.00 0.00 H new ATOM 936 N LEU A 59 1.307 6.605 -1.205 1.00 0.00 N ATOM 937 CA LEU A 59 2.492 6.488 -2.043 1.00 0.00 C ATOM 938 C LEU A 59 3.292 7.780 -2.033 1.00 0.00 C ATOM 939 O LEU A 59 2.726 8.867 -1.993 1.00 0.00 O ATOM 940 CB LEU A 59 2.109 6.131 -3.491 1.00 0.00 C ATOM 941 CG LEU A 59 1.603 7.280 -4.379 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.397 7.941 -3.755 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.694 8.306 -4.651 1.00 0.00 C ATOM 0 H LEU A 59 0.664 7.347 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 59 3.107 5.687 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.980 5.688 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.337 5.362 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 59 1.311 6.850 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.053 8.752 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.400 7.207 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.667 8.342 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.297 9.101 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.039 8.729 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.529 7.823 -5.159 1.00 0.00 H new ATOM 955 N ASN A 60 4.607 7.656 -2.113 1.00 0.00 N ATOM 956 CA ASN A 60 5.473 8.823 -2.166 1.00 0.00 C ATOM 957 C ASN A 60 6.310 8.740 -3.429 1.00 0.00 C ATOM 958 O ASN A 60 7.260 7.962 -3.500 1.00 0.00 O ATOM 959 CB ASN A 60 6.374 8.898 -0.930 1.00 0.00 C ATOM 960 CG ASN A 60 5.604 8.742 0.366 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.556 8.096 0.407 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.121 9.334 1.436 1.00 0.00 N ATOM 0 H ASN A 60 5.097 6.762 -2.143 1.00 0.00 H new ATOM 0 HA ASN A 60 4.864 9.727 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.134 8.119 -0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.897 9.854 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.648 9.263 2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.992 9.859 1.357 1.00 0.00 H new ATOM 969 N SER A 61 5.941 9.515 -4.441 1.00 0.00 N ATOM 970 CA SER A 61 6.677 9.466 -5.710 1.00 0.00 C ATOM 971 C SER A 61 6.725 10.817 -6.429 1.00 0.00 C ATOM 972 O SER A 61 5.717 11.515 -6.546 1.00 0.00 O ATOM 973 CB SER A 61 6.057 8.416 -6.634 1.00 0.00 C ATOM 974 OG SER A 61 5.230 7.524 -5.911 1.00 0.00 O ATOM 0 H SER A 61 5.159 10.170 -4.418 1.00 0.00 H new ATOM 0 HA SER A 61 7.704 9.197 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.473 8.910 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.847 7.858 -7.137 1.00 0.00 H new ATOM 0 HG SER A 61 5.784 6.962 -5.330 1.00 0.00 H new ATOM 980 N PRO A 62 7.923 11.192 -6.919 1.00 0.00 N ATOM 981 CA PRO A 62 8.160 12.457 -7.638 1.00 0.00 C ATOM 982 C PRO A 62 7.392 12.594 -8.949 1.00 0.00 C ATOM 983 O PRO A 62 7.339 13.684 -9.520 1.00 0.00 O ATOM 984 CB PRO A 62 9.660 12.423 -7.918 1.00 0.00 C ATOM 985 CG PRO A 62 10.026 10.983 -7.864 1.00 0.00 C ATOM 986 CD PRO A 62 9.162 10.408 -6.792 1.00 0.00 C ATOM 0 HA PRO A 62 7.819 13.304 -7.043 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.890 12.853 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.214 13.000 -7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.847 10.493 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.083 10.852 -7.632 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.985 9.343 -6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.612 10.520 -5.806 1.00 0.00 H new ATOM 994 N ASP A 63 6.799 11.511 -9.437 1.00 0.00 N ATOM 995 CA ASP A 63 6.054 11.579 -10.687 1.00 0.00 C ATOM 996 C ASP A 63 4.812 10.692 -10.621 1.00 0.00 C ATOM 997 O ASP A 63 4.788 9.711 -9.878 1.00 0.00 O ATOM 998 CB ASP A 63 6.954 11.186 -11.862 1.00 0.00 C ATOM 999 CG ASP A 63 7.835 12.332 -12.317 1.00 0.00 C ATOM 1000 OD1 ASP A 63 7.327 13.226 -13.026 1.00 0.00 O ATOM 1001 OD2 ASP A 63 9.034 12.336 -11.965 1.00 0.00 O ATOM 0 H ASP A 63 6.818 10.592 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 63 5.722 12.605 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.580 10.342 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.336 10.852 -12.695 1.00 0.00 H new ATOM 1006 N GLU A 64 3.771 11.046 -11.377 1.00 0.00 N ATOM 1007 CA GLU A 64 2.524 10.254 -11.347 1.00 0.00 C ATOM 1008 C GLU A 64 2.761 8.808 -11.774 1.00 0.00 C ATOM 1009 O GLU A 64 2.252 7.892 -11.133 1.00 0.00 O ATOM 1010 CB GLU A 64 1.403 10.877 -12.189 1.00 0.00 C ATOM 1011 CG GLU A 64 0.542 11.842 -11.391 1.00 0.00 C ATOM 1012 CD GLU A 64 1.051 13.270 -11.455 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.801 13.589 -12.402 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.700 14.066 -10.560 1.00 0.00 O ATOM 0 H GLU A 64 3.756 11.851 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 64 2.195 10.261 -10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.840 11.402 -13.038 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.774 10.084 -12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.480 11.808 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.509 11.518 -10.351 1.00 0.00 H new ATOM 1021 N ASP A 65 3.537 8.585 -12.837 1.00 0.00 N ATOM 1022 CA ASP A 65 3.817 7.217 -13.282 1.00 0.00 C ATOM 1023 C ASP A 65 4.203 6.375 -12.076 1.00 0.00 C ATOM 1024 O ASP A 65 3.577 5.358 -11.779 1.00 0.00 O ATOM 1025 CB ASP A 65 4.955 7.220 -14.293 1.00 0.00 C ATOM 1026 CG ASP A 65 5.107 5.888 -15.001 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.771 4.990 -14.442 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.560 5.742 -16.114 1.00 0.00 O ATOM 0 H ASP A 65 3.975 9.317 -13.396 1.00 0.00 H new ATOM 0 HA ASP A 65 2.929 6.799 -13.756 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.778 8.002 -15.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.887 7.466 -13.785 1.00 0.00 H new ATOM 1033 N SER A 66 5.206 6.855 -11.354 1.00 0.00 N ATOM 1034 CA SER A 66 5.658 6.209 -10.132 1.00 0.00 C ATOM 1035 C SER A 66 4.516 6.225 -9.124 1.00 0.00 C ATOM 1036 O SER A 66 4.069 5.188 -8.637 1.00 0.00 O ATOM 1037 CB SER A 66 6.864 6.954 -9.559 1.00 0.00 C ATOM 1038 OG SER A 66 7.994 6.823 -10.402 1.00 0.00 O ATOM 0 H SER A 66 5.726 7.698 -11.598 1.00 0.00 H new ATOM 0 HA SER A 66 5.954 5.182 -10.346 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.619 8.009 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.099 6.564 -8.568 1.00 0.00 H new ATOM 0 HG SER A 66 8.750 7.310 -10.013 1.00 0.00 H new ATOM 1044 N LEU A 67 4.046 7.435 -8.849 1.00 0.00 N ATOM 1045 CA LEU A 67 2.940 7.683 -7.928 1.00 0.00 C ATOM 1046 C LEU A 67 1.840 6.635 -8.082 1.00 0.00 C ATOM 1047 O LEU A 67 1.523 5.918 -7.135 1.00 0.00 O ATOM 1048 CB LEU A 67 2.409 9.108 -8.195 1.00 0.00 C ATOM 1049 CG LEU A 67 1.042 9.497 -7.614 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.788 10.975 -7.841 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.091 8.680 -8.217 1.00 0.00 C ATOM 0 H LEU A 67 4.427 8.285 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 67 3.289 7.607 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.146 9.814 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.363 9.249 -9.275 1.00 0.00 H new ATOM 0 HG LEU A 67 1.067 9.284 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.183 11.245 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.567 11.558 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.798 11.186 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.038 8.990 -7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.123 8.841 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.075 7.622 -8.013 1.00 0.00 H new ATOM 1063 N ALA A 68 1.261 6.542 -9.270 1.00 0.00 N ATOM 1064 CA ALA A 68 0.203 5.573 -9.511 1.00 0.00 C ATOM 1065 C ALA A 68 0.747 4.153 -9.420 1.00 0.00 C ATOM 1066 O ALA A 68 0.054 3.241 -8.969 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.438 5.815 -10.869 1.00 0.00 C ATOM 0 H ALA A 68 1.503 7.120 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.560 5.696 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.228 5.082 -11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.863 6.818 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.316 5.718 -11.650 1.00 0.00 H new ATOM 1073 N HIS A 69 1.998 3.972 -9.839 1.00 0.00 N ATOM 1074 CA HIS A 69 2.634 2.660 -9.790 1.00 0.00 C ATOM 1075 C HIS A 69 2.553 2.087 -8.380 1.00 0.00 C ATOM 1076 O HIS A 69 2.360 0.887 -8.196 1.00 0.00 O ATOM 1077 CB HIS A 69 4.096 2.753 -10.231 1.00 0.00 C ATOM 1078 CG HIS A 69 4.720 1.421 -10.513 1.00 0.00 C ATOM 1079 ND1 HIS A 69 4.114 0.224 -10.193 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.903 1.101 -11.089 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.898 -0.775 -10.560 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.988 -0.269 -11.106 1.00 0.00 N ATOM 0 H HIS A 69 2.588 4.715 -10.214 1.00 0.00 H new ATOM 0 HA HIS A 69 2.105 1.997 -10.475 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.159 3.372 -11.126 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.670 3.257 -9.454 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.204 0.125 -9.744 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.641 1.794 -11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.683 -1.826 -10.435 1.00 0.00 H new ATOM 1091 N MET A 70 2.698 2.961 -7.388 1.00 0.00 N ATOM 1092 CA MET A 70 2.638 2.539 -5.987 1.00 0.00 C ATOM 1093 C MET A 70 1.186 2.392 -5.509 1.00 0.00 C ATOM 1094 O MET A 70 0.790 1.319 -5.055 1.00 0.00 O ATOM 1095 CB MET A 70 3.394 3.517 -5.066 1.00 0.00 C ATOM 1096 CG MET A 70 4.246 4.549 -5.787 1.00 0.00 C ATOM 1097 SD MET A 70 5.628 3.804 -6.676 1.00 0.00 S ATOM 1098 CE MET A 70 6.328 2.761 -5.401 1.00 0.00 C ATOM 0 H MET A 70 2.857 3.959 -7.524 1.00 0.00 H new ATOM 0 HA MET A 70 3.125 1.566 -5.931 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.669 4.039 -4.442 1.00 0.00 H new ATOM 0 HB3 MET A 70 4.035 2.942 -4.398 1.00 0.00 H new ATOM 0 HG2 MET A 70 3.623 5.103 -6.489 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.629 5.269 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.347 2.487 -5.674 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.339 3.301 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.725 1.859 -5.297 1.00 0.00 H new ATOM 1108 N GLN A 71 0.392 3.468 -5.599 1.00 0.00 N ATOM 1109 CA GLN A 71 -1.004 3.417 -5.154 1.00 0.00 C ATOM 1110 C GLN A 71 -1.766 2.268 -5.812 1.00 0.00 C ATOM 1111 O GLN A 71 -2.728 1.752 -5.244 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.747 4.745 -5.397 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.370 5.477 -6.669 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.584 5.829 -7.510 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.220 4.956 -8.098 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.909 7.115 -7.570 1.00 0.00 N ATOM 0 H GLN A 71 0.688 4.371 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.969 3.243 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.818 4.544 -5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.563 5.405 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.830 6.389 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.691 4.857 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.353 7.806 -7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.715 7.412 -8.120 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.336 1.864 -7.004 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.993 0.770 -7.714 1.00 0.00 C ATOM 1127 C ASN A 72 -1.498 -0.581 -7.206 1.00 0.00 C ATOM 1128 O ASN A 72 -2.294 -1.479 -6.931 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.753 0.883 -9.220 1.00 0.00 C ATOM 1130 CG ASN A 72 -2.887 0.289 -10.031 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -2.865 -0.892 -10.379 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.887 1.107 -10.338 1.00 0.00 N ATOM 0 H ASN A 72 -0.542 2.274 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.064 0.842 -7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.629 1.932 -9.488 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.822 0.376 -9.476 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.678 0.764 -10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.864 2.079 -10.029 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.179 -0.717 -7.079 1.00 0.00 N ATOM 1140 CA VAL A 73 0.425 -1.956 -6.600 1.00 0.00 C ATOM 1141 C VAL A 73 -0.297 -2.473 -5.356 1.00 0.00 C ATOM 1142 O VAL A 73 -0.543 -3.672 -5.224 1.00 0.00 O ATOM 1143 CB VAL A 73 1.928 -1.753 -6.287 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.459 -2.839 -5.362 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.734 -1.713 -7.576 1.00 0.00 C ATOM 0 H VAL A 73 0.492 0.018 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 73 0.328 -2.697 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 73 2.035 -0.799 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.517 -2.664 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.906 -2.819 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.335 -3.813 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.789 -1.570 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.606 -2.652 -8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.385 -0.888 -8.198 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.641 -1.563 -4.452 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.342 -1.940 -3.226 1.00 0.00 C ATOM 1157 C VAL A 74 -2.783 -2.346 -3.529 1.00 0.00 C ATOM 1158 O VAL A 74 -3.249 -3.383 -3.057 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.340 -0.801 -2.182 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.123 -1.199 -0.936 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.083 -0.405 -1.808 1.00 0.00 C ATOM 0 H VAL A 74 -0.449 -0.565 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.803 -2.789 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.829 0.062 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.105 -0.379 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.155 -1.420 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.669 -2.083 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.056 0.398 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.601 -1.266 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.612 -0.064 -2.698 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.489 -1.536 -4.329 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.869 -1.842 -4.694 1.00 0.00 C ATOM 1173 C ALA A 75 -4.975 -3.287 -5.156 1.00 0.00 C ATOM 1174 O ALA A 75 -6.017 -3.928 -5.015 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.361 -0.900 -5.784 1.00 0.00 C ATOM 0 H ALA A 75 -3.126 -0.671 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.499 -1.703 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.391 -1.147 -6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.312 0.128 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.732 -1.006 -6.668 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.874 -3.793 -5.701 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.819 -5.167 -6.180 1.00 0.00 C ATOM 1183 C ASP A 76 -3.705 -6.143 -5.011 1.00 0.00 C ATOM 1184 O ASP A 76 -4.358 -7.186 -4.996 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.635 -5.351 -7.132 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.970 -6.255 -8.302 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.724 -7.230 -8.102 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.479 -5.987 -9.419 1.00 0.00 O ATOM 0 H ASP A 76 -3.007 -3.270 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.743 -5.377 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.319 -4.378 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.792 -5.770 -6.582 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.868 -5.800 -4.033 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.670 -6.653 -2.863 1.00 0.00 C ATOM 1195 C HIS A 77 -3.985 -6.880 -2.116 1.00 0.00 C ATOM 1196 O HIS A 77 -4.280 -7.998 -1.695 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.618 -6.050 -1.925 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.334 -5.702 -2.612 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.075 -6.017 -3.930 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.773 -5.067 -2.155 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.133 -5.592 -4.253 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.668 -5.013 -3.195 1.00 0.00 N ATOM 0 H HIS A 77 -2.318 -4.941 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.309 -7.620 -3.213 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.028 -5.152 -1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.411 -6.757 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.923 -4.677 -1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.603 -5.700 -5.219 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.597 -4.593 -3.156 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.781 -5.822 -1.966 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.063 -5.925 -1.285 1.00 0.00 C ATOM 1213 C LEU A 78 -7.021 -6.799 -2.094 1.00 0.00 C ATOM 1214 O LEU A 78 -7.950 -7.392 -1.548 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.678 -4.532 -1.082 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.938 -3.595 -0.113 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.824 -2.415 0.256 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.503 -4.340 1.143 1.00 0.00 C ATOM 0 H LEU A 78 -4.558 -4.887 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.898 -6.383 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.740 -4.041 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.699 -4.658 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.044 -3.225 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.289 -1.759 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.086 -1.861 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.733 -2.778 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.982 -3.654 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.380 -4.743 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.835 -5.157 0.869 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.793 -6.863 -3.404 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.643 -7.653 -4.293 1.00 0.00 C ATOM 1232 C GLN A 79 -7.387 -9.157 -4.151 1.00 0.00 C ATOM 1233 O GLN A 79 -8.329 -9.950 -4.144 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.436 -7.220 -5.746 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.248 -8.027 -6.746 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.585 -7.237 -7.995 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.571 -6.006 -7.988 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.892 -7.943 -9.077 1.00 0.00 N ATOM 0 H GLN A 79 -6.028 -6.378 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.677 -7.468 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.700 -6.167 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.378 -7.308 -5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.690 -8.920 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.171 -8.363 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.891 -8.962 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.129 -7.466 -9.947 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.121 -9.550 -4.042 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.774 -10.961 -3.905 1.00 0.00 C ATOM 1249 C ARG A 80 -6.297 -11.511 -2.591 1.00 0.00 C ATOM 1250 O ARG A 80 -6.694 -12.673 -2.499 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.258 -11.149 -3.977 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.652 -10.660 -5.278 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.879 -11.760 -5.988 1.00 0.00 C ATOM 1254 NE ARG A 80 -3.689 -12.961 -6.180 1.00 0.00 N ATOM 1255 CZ ARG A 80 -4.602 -13.094 -7.140 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -4.825 -12.103 -7.995 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -5.294 -14.220 -7.245 1.00 0.00 N ATOM 0 H ARG A 80 -5.323 -8.915 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.238 -11.507 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.794 -10.618 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.024 -12.206 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.443 -10.291 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.987 -9.820 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.536 -11.395 -6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.990 -12.011 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.547 -13.743 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.296 -11.234 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.526 -12.210 -8.729 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -5.127 -14.984 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.993 -14.322 -7.980 1.00 0.00 H new ATOM 1271 N MET A 81 -6.285 -10.665 -1.575 1.00 0.00 N ATOM 1272 CA MET A 81 -6.752 -11.057 -0.249 1.00 0.00 C ATOM 1273 C MET A 81 -8.275 -10.993 -0.140 1.00 0.00 C ATOM 1274 O MET A 81 -8.857 -11.514 0.811 1.00 0.00 O ATOM 1275 CB MET A 81 -6.104 -10.183 0.828 1.00 0.00 C ATOM 1276 CG MET A 81 -6.383 -8.689 0.699 1.00 0.00 C ATOM 1277 SD MET A 81 -8.054 -8.233 1.197 1.00 0.00 S ATOM 1278 CE MET A 81 -7.712 -6.828 2.250 1.00 0.00 C ATOM 0 H MET A 81 -5.958 -9.701 -1.639 1.00 0.00 H new ATOM 0 HA MET A 81 -6.454 -12.094 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.451 -10.519 1.805 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.026 -10.340 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.666 -8.138 1.308 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.223 -8.384 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.970 -7.074 3.280 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.653 -6.578 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.305 -5.974 1.922 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.276 -4.863 -5.934 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.138 -4.025 -4.730 1.00 0.00 C ATOM 1351 C LEU A 87 -11.765 -2.651 -4.879 1.00 0.00 C ATOM 1352 O LEU A 87 -11.209 -1.774 -5.540 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.666 -3.831 -4.338 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.263 -4.358 -2.956 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.348 -3.244 -1.923 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.114 -5.544 -2.519 1.00 0.00 C ATOM 0 HA LEU A 87 -11.671 -4.571 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.044 -4.321 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.437 -2.766 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.233 -4.707 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.059 -3.631 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.676 -2.434 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.370 -2.868 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.790 -5.881 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.161 -5.244 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.001 -6.357 -3.236 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.890 -2.440 -4.215 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.518 -1.137 -4.252 1.00 0.00 C ATOM 1370 C GLU A 88 -12.654 -0.177 -3.448 1.00 0.00 C ATOM 1371 O GLU A 88 -12.728 -0.142 -2.220 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.929 -1.199 -3.663 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.689 0.113 -3.765 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.904 0.153 -2.857 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -16.753 0.539 -1.679 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -18.007 -0.202 -3.326 1.00 0.00 O ATOM 0 H GLU A 88 -13.376 -3.141 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.606 -0.796 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.494 -1.977 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.864 -1.491 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.022 0.936 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.005 0.267 -4.797 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.820 0.586 -4.142 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.929 1.524 -3.477 1.00 0.00 C ATOM 1385 C ILE A 89 -10.978 2.892 -4.154 1.00 0.00 C ATOM 1386 O ILE A 89 -10.818 2.987 -5.371 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.460 0.997 -3.444 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.716 1.244 -4.768 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.438 -0.485 -3.115 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.999 0.204 -5.833 1.00 0.00 C ATOM 0 H ILE A 89 -11.743 0.574 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.276 1.625 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.941 1.557 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.992 2.227 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.644 1.268 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.407 -0.838 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.896 -0.648 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.995 -1.034 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.439 0.446 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.697 -0.779 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.065 0.195 -6.059 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.182 3.957 -3.379 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.212 5.286 -3.970 1.00 0.00 C ATOM 1404 C ALA A 90 -9.829 5.908 -3.895 1.00 0.00 C ATOM 1405 O ALA A 90 -9.340 6.243 -2.815 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.238 6.184 -3.285 1.00 0.00 C ATOM 0 H ALA A 90 -11.325 3.926 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.511 5.188 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.231 7.168 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.230 5.743 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.987 6.284 -2.229 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.202 6.055 -5.051 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.869 6.632 -5.129 1.00 0.00 C ATOM 1414 C TRP A 91 -7.935 8.117 -5.457 1.00 0.00 C ATOM 1415 O TRP A 91 -8.639 8.531 -6.378 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.034 5.903 -6.182 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.726 5.775 -7.504 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.492 4.729 -7.932 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.715 6.728 -8.574 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.958 4.974 -9.201 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.495 6.194 -9.616 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.123 7.983 -8.749 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.697 6.871 -10.817 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.324 8.652 -9.941 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -8.105 8.095 -10.961 1.00 0.00 C ATOM 0 H TRP A 91 -9.596 5.782 -5.951 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.395 6.515 -4.154 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.094 6.436 -6.322 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.785 4.908 -5.813 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.701 3.839 -7.357 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.552 4.349 -9.745 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.520 8.421 -7.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.299 6.444 -11.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.871 9.621 -10.089 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.243 8.644 -11.881 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.195 8.914 -4.696 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.165 10.356 -4.907 1.00 0.00 C ATOM 1438 C GLN A 92 -6.070 10.731 -5.901 1.00 0.00 C ATOM 1439 O GLN A 92 -5.088 10.004 -6.058 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.940 11.083 -3.579 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.076 10.900 -2.585 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.698 11.337 -1.184 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -7.047 12.364 -0.994 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.105 10.554 -0.191 1.00 0.00 N ATOM 0 H GLN A 92 -6.608 8.587 -3.928 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.127 10.662 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.014 10.724 -3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.807 12.147 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.942 11.471 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.373 9.852 -2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.643 9.711 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.880 10.795 0.774 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.225 11.873 -6.591 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.248 12.341 -7.578 1.00 0.00 C ATOM 1455 C PRO A 93 -3.817 12.289 -7.059 1.00 0.00 C ATOM 1456 O PRO A 93 -2.893 11.971 -7.807 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.660 13.789 -7.817 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.124 13.818 -7.543 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.369 12.797 -6.464 1.00 0.00 C ATOM 0 HA PRO A 93 -5.251 11.719 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.120 14.468 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.443 14.099 -8.839 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.440 14.810 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.693 13.579 -8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.404 13.258 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.318 12.281 -6.609 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.646 12.616 -5.776 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.330 12.624 -5.128 1.00 0.00 C ATOM 1469 C ALA A 94 -1.753 14.035 -5.091 1.00 0.00 C ATOM 1470 O ALA A 94 -0.550 14.229 -5.267 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.349 11.675 -5.816 1.00 0.00 C ATOM 0 H ALA A 94 -4.412 12.882 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.475 12.272 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.387 11.712 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.740 10.658 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.219 11.977 -6.855 1.00 0.00 H new