USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 772 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 Single : A 1 MET CE :methyl -127:sc= -0.302 (180deg=-1.2) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.00792 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -125:sc= 0.703 (180deg=-0.339) USER MOD Single : A 5 ASN : amide:sc=-0.00329 X(o=-0.0033,f=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= -0.0563 (180deg=-0.661) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.378 USER MOD Single : A 11 GLN : amide:sc= -0.927 K(o=-0.93,f=-0.012) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0271 (180deg=-0.263) USER MOD Single : A 20 ASN : amide:sc= -0.703 X(o=-0.7,f=-0.76) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.74) USER MOD Single : A 33 THR OG1 : rot 98:sc= 0.643 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0123) USER MOD Single : A 43 GLN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -100:sc= -1.83! USER MOD Single : A 60 HIS : no HD1:sc= -2.04 X(o=-2,f=-2.4) USER MOD Single : A 62 LYS NZ :NH3+ 144:sc= -0.179 (180deg=-0.99) USER MOD Single : A 69 TYR OH : rot 165:sc=-0.00542 USER MOD Single : A 72 LYS NZ :NH3+ -104:sc= -0.501 (180deg=-1.42!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.349 K(o=0.35,f=-4.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.687 -2.741 11.050 1.00 0.00 N ATOM 2 CA MET A 1 -10.127 -2.508 10.769 1.00 0.00 C ATOM 3 C MET A 1 -10.441 -2.712 9.290 1.00 0.00 C ATOM 4 O MET A 1 -9.544 -2.697 8.447 1.00 0.00 O ATOM 5 CB MET A 1 -10.482 -1.082 11.197 1.00 0.00 C ATOM 6 CG MET A 1 -11.452 -1.020 12.365 1.00 0.00 C ATOM 7 SD MET A 1 -13.147 -0.698 11.844 1.00 0.00 S ATOM 8 CE MET A 1 -12.965 0.906 11.069 1.00 0.00 C ATOM 0 H1 MET A 1 -8.418 -2.241 11.921 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.517 -3.760 11.169 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.116 -2.385 10.257 1.00 0.00 H new ATOM 0 HA MET A 1 -10.723 -3.227 11.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.567 -0.555 11.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.915 -0.554 10.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.417 -1.962 12.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.134 -0.239 13.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.684 1.602 11.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.954 1.278 11.236 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.146 0.815 9.998 1.00 0.00 H new ATOM 20 N LEU A 2 -11.721 -2.898 8.983 1.00 0.00 N ATOM 21 CA LEU A 2 -12.155 -3.101 7.606 1.00 0.00 C ATOM 22 C LEU A 2 -11.514 -4.349 7.009 1.00 0.00 C ATOM 23 O LEU A 2 -10.501 -4.840 7.510 1.00 0.00 O ATOM 24 CB LEU A 2 -11.806 -1.879 6.755 1.00 0.00 C ATOM 25 CG LEU A 2 -12.340 -0.548 7.285 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.347 0.572 7.014 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.689 -0.230 6.661 1.00 0.00 C ATOM 0 H LEU A 2 -12.475 -2.912 9.669 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.236 -3.238 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.721 -1.811 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.194 -2.034 5.748 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.472 -0.634 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.744 1.511 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.402 0.348 7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.182 0.660 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.054 0.721 7.049 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.582 -0.163 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.399 -1.020 6.907 1.00 0.00 H new ATOM 39 N LYS A 3 -12.109 -4.857 5.937 1.00 0.00 N ATOM 40 CA LYS A 3 -11.598 -6.047 5.268 1.00 0.00 C ATOM 41 C LYS A 3 -10.444 -5.693 4.338 1.00 0.00 C ATOM 42 O LYS A 3 -10.381 -4.584 3.807 1.00 0.00 O ATOM 43 CB LYS A 3 -12.715 -6.727 4.473 1.00 0.00 C ATOM 44 CG LYS A 3 -12.554 -8.236 4.366 1.00 0.00 C ATOM 45 CD LYS A 3 -11.911 -8.635 3.047 1.00 0.00 C ATOM 46 CE LYS A 3 -12.796 -8.275 1.865 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.446 -9.476 1.271 1.00 0.00 N ATOM 0 H LYS A 3 -12.948 -4.462 5.511 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.231 -6.734 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.672 -6.505 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.747 -6.301 3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.944 -8.598 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.529 -8.714 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.947 -8.137 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.718 -9.708 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.562 -7.570 2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.199 -7.772 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.227 -9.523 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.090 -10.332 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.476 -9.413 1.400 1.00 0.00 H new ATOM 61 N LEU A 4 -9.531 -6.639 4.146 1.00 0.00 N ATOM 62 CA LEU A 4 -8.379 -6.422 3.278 1.00 0.00 C ATOM 63 C LEU A 4 -8.416 -7.363 2.079 1.00 0.00 C ATOM 64 O LEU A 4 -8.902 -8.490 2.174 1.00 0.00 O ATOM 65 CB LEU A 4 -7.079 -6.626 4.059 1.00 0.00 C ATOM 66 CG LEU A 4 -5.799 -6.337 3.267 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.901 -5.377 4.031 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.057 -7.629 2.959 1.00 0.00 C ATOM 0 H LEU A 4 -9.566 -7.562 4.579 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.420 -5.395 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.097 -5.984 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.044 -7.655 4.415 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.080 -5.868 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.998 -5.185 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.431 -4.439 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.630 -5.818 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.151 -7.403 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.790 -8.127 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.697 -8.284 2.368 1.00 0.00 H new ATOM 80 N ASN A 5 -7.902 -6.890 0.947 1.00 0.00 N ATOM 81 CA ASN A 5 -7.875 -7.689 -0.271 1.00 0.00 C ATOM 82 C ASN A 5 -6.507 -7.613 -0.943 1.00 0.00 C ATOM 83 O ASN A 5 -5.592 -6.964 -0.438 1.00 0.00 O ATOM 84 CB ASN A 5 -8.960 -7.214 -1.240 1.00 0.00 C ATOM 85 CG ASN A 5 -9.699 -8.366 -1.890 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.261 -9.223 -1.209 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.702 -8.394 -3.218 1.00 0.00 N ATOM 0 H ASN A 5 -7.499 -5.958 0.849 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.068 -8.727 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.672 -6.585 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.506 -6.594 -2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.183 -9.146 -3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.223 -7.663 -3.745 1.00 0.00 H new ATOM 94 N LEU A 6 -6.377 -8.280 -2.085 1.00 0.00 N ATOM 95 CA LEU A 6 -5.122 -8.290 -2.826 1.00 0.00 C ATOM 96 C LEU A 6 -5.378 -8.260 -4.328 1.00 0.00 C ATOM 97 O LEU A 6 -5.893 -9.222 -4.900 1.00 0.00 O ATOM 98 CB LEU A 6 -4.300 -9.527 -2.461 1.00 0.00 C ATOM 99 CG LEU A 6 -3.780 -9.556 -1.019 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.153 -10.868 -0.342 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.273 -9.349 -0.989 1.00 0.00 C ATOM 0 H LEU A 6 -7.126 -8.821 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.560 -7.396 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.911 -10.414 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.450 -9.593 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.249 -8.740 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.775 -10.870 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.238 -10.975 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.713 -11.700 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.923 -9.373 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.785 -10.142 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.029 -8.384 -1.433 1.00 0.00 H new ATOM 113 N LYS A 7 -5.015 -7.153 -4.965 1.00 0.00 N ATOM 114 CA LYS A 7 -5.206 -6.999 -6.402 1.00 0.00 C ATOM 115 C LYS A 7 -4.034 -7.596 -7.173 1.00 0.00 C ATOM 116 O LYS A 7 -2.958 -7.813 -6.617 1.00 0.00 O ATOM 117 CB LYS A 7 -5.369 -5.522 -6.763 1.00 0.00 C ATOM 118 CG LYS A 7 -6.803 -5.028 -6.678 1.00 0.00 C ATOM 119 CD LYS A 7 -7.451 -4.951 -8.051 1.00 0.00 C ATOM 120 CE LYS A 7 -8.857 -4.380 -7.973 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.852 -2.933 -7.625 1.00 0.00 N ATOM 0 H LYS A 7 -4.586 -6.348 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.113 -7.535 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.748 -4.923 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.998 -5.361 -7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.381 -5.696 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.822 -4.044 -6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.841 -4.330 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.486 -5.946 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.359 -4.521 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.431 -4.930 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.485 -2.768 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.886 -2.640 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.181 -2.379 -8.441 1.00 0.00 H new ATOM 135 N LYS A 8 -4.251 -7.860 -8.458 1.00 0.00 N ATOM 136 CA LYS A 8 -3.214 -8.431 -9.306 1.00 0.00 C ATOM 137 C LYS A 8 -2.016 -7.493 -9.409 1.00 0.00 C ATOM 138 O LYS A 8 -0.878 -7.936 -9.560 1.00 0.00 O ATOM 139 CB LYS A 8 -3.769 -8.721 -10.701 1.00 0.00 C ATOM 140 CG LYS A 8 -4.637 -9.968 -10.763 1.00 0.00 C ATOM 141 CD LYS A 8 -3.806 -11.211 -11.035 1.00 0.00 C ATOM 142 CE LYS A 8 -4.591 -12.243 -11.829 1.00 0.00 C ATOM 143 NZ LYS A 8 -5.718 -12.813 -11.041 1.00 0.00 N ATOM 0 H LYS A 8 -5.137 -7.687 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.883 -9.365 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.354 -7.864 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.938 -8.832 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.174 -10.086 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.387 -9.852 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.906 -10.935 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.482 -11.647 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.980 -11.783 -12.737 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.923 -13.046 -12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.227 -13.512 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.346 -13.275 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.370 -12.051 -10.766 1.00 0.00 H new ATOM 157 N SER A 9 -2.281 -6.193 -9.325 1.00 0.00 N ATOM 158 CA SER A 9 -1.226 -5.191 -9.407 1.00 0.00 C ATOM 159 C SER A 9 -0.377 -5.187 -8.140 1.00 0.00 C ATOM 160 O SER A 9 0.826 -4.928 -8.189 1.00 0.00 O ATOM 161 CB SER A 9 -1.829 -3.803 -9.633 1.00 0.00 C ATOM 162 OG SER A 9 -0.815 -2.834 -9.837 1.00 0.00 O ATOM 0 H SER A 9 -3.218 -5.810 -9.200 1.00 0.00 H new ATOM 0 HA SER A 9 -0.585 -5.445 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.492 -3.828 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.437 -3.523 -8.773 1.00 0.00 H new ATOM 0 HG SER A 9 -1.226 -1.956 -9.981 1.00 0.00 H new ATOM 168 N PHE A 10 -1.009 -5.475 -7.007 1.00 0.00 N ATOM 169 CA PHE A 10 -0.311 -5.503 -5.727 1.00 0.00 C ATOM 170 C PHE A 10 0.565 -6.746 -5.612 1.00 0.00 C ATOM 171 O PHE A 10 1.610 -6.723 -4.963 1.00 0.00 O ATOM 172 CB PHE A 10 -1.315 -5.465 -4.574 1.00 0.00 C ATOM 173 CG PHE A 10 -0.684 -5.192 -3.239 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.434 -3.893 -2.828 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.341 -6.236 -2.393 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.149 -3.639 -1.601 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.240 -5.988 -1.164 1.00 0.00 C ATOM 178 CZ PHE A 10 0.486 -4.689 -0.768 1.00 0.00 C ATOM 0 H PHE A 10 -2.004 -5.692 -6.949 1.00 0.00 H new ATOM 0 HA PHE A 10 0.329 -4.623 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.061 -4.697 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.842 -6.418 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.698 -3.069 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.530 -7.255 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.341 -2.622 -1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.501 -6.810 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.941 -4.493 0.192 1.00 0.00 H new ATOM 188 N GLN A 11 0.132 -7.830 -6.248 1.00 0.00 N ATOM 189 CA GLN A 11 0.878 -9.083 -6.217 1.00 0.00 C ATOM 190 C GLN A 11 2.221 -8.935 -6.924 1.00 0.00 C ATOM 191 O GLN A 11 3.238 -9.453 -6.460 1.00 0.00 O ATOM 192 CB GLN A 11 0.064 -10.201 -6.870 1.00 0.00 C ATOM 193 CG GLN A 11 -1.159 -10.612 -6.066 1.00 0.00 C ATOM 194 CD GLN A 11 -1.877 -11.805 -6.665 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.225 -12.752 -5.959 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.100 -11.766 -7.973 1.00 0.00 N ATOM 0 H GLN A 11 -0.731 -7.866 -6.791 1.00 0.00 H new ATOM 0 HA GLN A 11 1.064 -9.340 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.255 -9.876 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.705 -11.071 -7.011 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.856 -10.850 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.849 -9.770 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.794 -10.960 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.578 -12.542 -8.432 1.00 0.00 H new ATOM 205 N LYS A 12 2.219 -8.227 -8.048 1.00 0.00 N ATOM 206 CA LYS A 12 3.440 -8.012 -8.817 1.00 0.00 C ATOM 207 C LYS A 12 4.183 -6.765 -8.342 1.00 0.00 C ATOM 208 O LYS A 12 5.332 -6.534 -8.719 1.00 0.00 O ATOM 209 CB LYS A 12 3.116 -7.891 -10.308 1.00 0.00 C ATOM 210 CG LYS A 12 2.816 -9.223 -10.975 1.00 0.00 C ATOM 211 CD LYS A 12 3.287 -9.241 -12.420 1.00 0.00 C ATOM 212 CE LYS A 12 2.637 -10.368 -13.204 1.00 0.00 C ATOM 213 NZ LYS A 12 3.588 -11.001 -14.161 1.00 0.00 N ATOM 0 H LYS A 12 1.387 -7.793 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 12 4.088 -8.874 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.258 -7.230 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.957 -7.420 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.304 -10.026 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.744 -9.416 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.053 -8.287 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.371 -9.354 -12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.263 -11.122 -12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.777 -9.981 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.105 -11.765 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.926 -10.287 -14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.397 -11.393 -13.638 1.00 0.00 H new ATOM 227 N ASP A 13 3.529 -5.966 -7.508 1.00 0.00 N ATOM 228 CA ASP A 13 4.142 -4.753 -6.981 1.00 0.00 C ATOM 229 C ASP A 13 4.868 -5.049 -5.672 1.00 0.00 C ATOM 230 O ASP A 13 5.813 -4.353 -5.304 1.00 0.00 O ATOM 231 CB ASP A 13 3.084 -3.672 -6.760 1.00 0.00 C ATOM 232 CG ASP A 13 2.795 -2.882 -8.022 1.00 0.00 C ATOM 233 OD1 ASP A 13 2.658 -3.505 -9.095 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.703 -1.639 -7.935 1.00 0.00 O ATOM 0 H ASP A 13 2.577 -6.135 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 13 4.866 -4.390 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.163 -4.135 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.421 -2.992 -5.978 1.00 0.00 H new ATOM 239 N PHE A 14 4.413 -6.084 -4.975 1.00 0.00 N ATOM 240 CA PHE A 14 5.007 -6.487 -3.710 1.00 0.00 C ATOM 241 C PHE A 14 6.109 -7.521 -3.923 1.00 0.00 C ATOM 242 O PHE A 14 7.289 -7.235 -3.739 1.00 0.00 O ATOM 243 CB PHE A 14 3.929 -7.051 -2.779 1.00 0.00 C ATOM 244 CG PHE A 14 4.458 -7.525 -1.456 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.541 -6.658 -0.379 1.00 0.00 C ATOM 246 CD2 PHE A 14 4.872 -8.838 -1.290 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.024 -7.092 0.842 1.00 0.00 C ATOM 248 CE2 PHE A 14 5.356 -9.277 -0.073 1.00 0.00 C ATOM 249 CZ PHE A 14 5.433 -8.403 0.995 1.00 0.00 C ATOM 0 H PHE A 14 3.627 -6.663 -5.270 1.00 0.00 H new ATOM 0 HA PHE A 14 5.454 -5.606 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.175 -6.283 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.429 -7.881 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.225 -5.632 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.815 -9.525 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.081 -6.407 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.674 -10.302 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.812 -8.744 1.947 1.00 0.00 H new ATOM 259 N ASP A 15 5.706 -8.730 -4.301 1.00 0.00 N ATOM 260 CA ASP A 15 6.650 -9.820 -4.524 1.00 0.00 C ATOM 261 C ASP A 15 7.618 -9.508 -5.658 1.00 0.00 C ATOM 262 O ASP A 15 8.834 -9.614 -5.493 1.00 0.00 O ATOM 263 CB ASP A 15 5.894 -11.116 -4.832 1.00 0.00 C ATOM 264 CG ASP A 15 6.676 -12.350 -4.427 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.834 -12.493 -4.874 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.130 -13.174 -3.664 1.00 0.00 O ATOM 0 H ASP A 15 4.730 -8.980 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 15 7.232 -9.942 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.937 -11.108 -4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.675 -11.161 -5.899 1.00 0.00 H new ATOM 271 N LYS A 16 7.081 -9.135 -6.813 1.00 0.00 N ATOM 272 CA LYS A 16 7.910 -8.827 -7.971 1.00 0.00 C ATOM 273 C LYS A 16 8.828 -7.636 -7.705 1.00 0.00 C ATOM 274 O LYS A 16 9.812 -7.435 -8.417 1.00 0.00 O ATOM 275 CB LYS A 16 7.034 -8.556 -9.198 1.00 0.00 C ATOM 276 CG LYS A 16 7.240 -9.553 -10.330 1.00 0.00 C ATOM 277 CD LYS A 16 8.713 -9.714 -10.678 1.00 0.00 C ATOM 278 CE LYS A 16 9.189 -11.139 -10.440 1.00 0.00 C ATOM 279 NZ LYS A 16 8.473 -12.116 -11.306 1.00 0.00 N ATOM 0 H LYS A 16 6.078 -9.039 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 16 8.539 -9.696 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.987 -8.574 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.243 -7.552 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.826 -10.520 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.692 -9.221 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.873 -9.445 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.307 -9.026 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.260 -11.201 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.037 -11.402 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.045 -12.979 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.556 -12.354 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.317 -11.698 -12.246 1.00 0.00 H new ATOM 293 N LEU A 17 8.514 -6.848 -6.677 1.00 0.00 N ATOM 294 CA LEU A 17 9.327 -5.694 -6.333 1.00 0.00 C ATOM 295 C LEU A 17 10.409 -6.087 -5.338 1.00 0.00 C ATOM 296 O LEU A 17 11.554 -5.644 -5.436 1.00 0.00 O ATOM 297 CB LEU A 17 8.455 -4.589 -5.740 1.00 0.00 C ATOM 298 CG LEU A 17 9.220 -3.410 -5.147 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.967 -2.654 -6.236 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.274 -2.480 -4.399 1.00 0.00 C ATOM 0 H LEU A 17 7.705 -6.991 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 17 9.800 -5.323 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.789 -4.216 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.826 -5.022 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 17 9.951 -3.797 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.506 -1.817 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.675 -3.324 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.256 -2.279 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.838 -1.645 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.518 -2.101 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.788 -3.028 -3.592 1.00 0.00 H new ATOM 312 N LEU A 18 10.030 -6.923 -4.378 1.00 0.00 N ATOM 313 CA LEU A 18 10.958 -7.384 -3.347 1.00 0.00 C ATOM 314 C LEU A 18 12.266 -7.881 -3.963 1.00 0.00 C ATOM 315 O LEU A 18 13.351 -7.559 -3.480 1.00 0.00 O ATOM 316 CB LEU A 18 10.320 -8.509 -2.523 1.00 0.00 C ATOM 317 CG LEU A 18 9.316 -8.086 -1.431 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.873 -6.636 -1.586 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.108 -9.010 -1.439 1.00 0.00 C ATOM 0 H LEU A 18 9.085 -7.297 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 18 11.180 -6.538 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.811 -9.186 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.119 -9.078 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 18 9.827 -8.168 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.167 -6.385 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.742 -5.981 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.393 -6.504 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.408 -8.700 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.618 -8.960 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.431 -10.033 -1.248 1.00 0.00 H new ATOM 331 N LEU A 19 12.153 -8.675 -5.024 1.00 0.00 N ATOM 332 CA LEU A 19 13.324 -9.226 -5.698 1.00 0.00 C ATOM 333 C LEU A 19 13.822 -8.306 -6.816 1.00 0.00 C ATOM 334 O LEU A 19 14.795 -8.625 -7.499 1.00 0.00 O ATOM 335 CB LEU A 19 12.999 -10.606 -6.272 1.00 0.00 C ATOM 336 CG LEU A 19 12.395 -11.596 -5.273 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.179 -12.289 -5.872 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.434 -12.619 -4.841 1.00 0.00 C ATOM 0 H LEU A 19 11.262 -8.951 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 19 14.118 -9.314 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.305 -10.483 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.913 -11.037 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 19 12.073 -11.040 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.765 -12.989 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.426 -11.544 -6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.475 -12.831 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.987 -13.314 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.788 -13.169 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.273 -12.108 -4.369 1.00 0.00 H new ATOM 350 N ASN A 20 13.157 -7.170 -7.001 1.00 0.00 N ATOM 351 CA ASN A 20 13.546 -6.220 -8.039 1.00 0.00 C ATOM 352 C ASN A 20 14.399 -5.097 -7.460 1.00 0.00 C ATOM 353 O ASN A 20 14.371 -3.967 -7.948 1.00 0.00 O ATOM 354 CB ASN A 20 12.304 -5.636 -8.718 1.00 0.00 C ATOM 355 CG ASN A 20 12.651 -4.762 -9.908 1.00 0.00 C ATOM 356 OD1 ASN A 20 12.413 -3.555 -9.896 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.217 -5.371 -10.944 1.00 0.00 N ATOM 0 H ASN A 20 12.349 -6.885 -6.448 1.00 0.00 H new ATOM 0 HA ASN A 20 14.139 -6.755 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.656 -6.449 -9.045 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.739 -5.050 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.473 -4.835 -11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.396 -6.375 -10.910 1.00 0.00 H new ATOM 364 N GLY A 21 15.159 -5.414 -6.418 1.00 0.00 N ATOM 365 CA GLY A 21 16.010 -4.421 -5.792 1.00 0.00 C ATOM 366 C GLY A 21 15.330 -3.713 -4.636 1.00 0.00 C ATOM 367 O GLY A 21 15.710 -2.601 -4.272 1.00 0.00 O ATOM 0 H GLY A 21 15.201 -6.342 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.920 -4.902 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.311 -3.685 -6.537 1.00 0.00 H new ATOM 371 N PHE A 22 14.321 -4.359 -4.057 1.00 0.00 N ATOM 372 CA PHE A 22 13.593 -3.780 -2.934 1.00 0.00 C ATOM 373 C PHE A 22 13.896 -4.539 -1.646 1.00 0.00 C ATOM 374 O PHE A 22 13.761 -5.761 -1.587 1.00 0.00 O ATOM 375 CB PHE A 22 12.087 -3.793 -3.209 1.00 0.00 C ATOM 376 CG PHE A 22 11.268 -3.264 -2.065 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.969 -4.072 -0.982 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.801 -1.959 -2.075 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.220 -3.588 0.074 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.049 -1.471 -1.023 1.00 0.00 C ATOM 381 CZ PHE A 22 9.758 -2.286 0.053 1.00 0.00 C ATOM 0 H PHE A 22 13.991 -5.280 -4.346 1.00 0.00 H new ATOM 0 HA PHE A 22 13.920 -2.747 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.882 -3.198 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.774 -4.814 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.325 -5.092 -0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.027 -1.317 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.996 -4.227 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.689 -0.453 -1.043 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.171 -1.907 0.876 1.00 0.00 H new ATOM 391 N ASP A 23 14.306 -3.806 -0.616 1.00 0.00 N ATOM 392 CA ASP A 23 14.629 -4.409 0.672 1.00 0.00 C ATOM 393 C ASP A 23 13.376 -4.957 1.345 1.00 0.00 C ATOM 394 O ASP A 23 12.513 -4.198 1.787 1.00 0.00 O ATOM 395 CB ASP A 23 15.306 -3.385 1.584 1.00 0.00 C ATOM 396 CG ASP A 23 16.194 -4.039 2.625 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.692 -4.898 3.378 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.392 -3.690 2.685 1.00 0.00 O ATOM 0 H ASP A 23 14.422 -2.793 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 23 15.316 -5.236 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.902 -2.701 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.544 -2.787 2.084 1.00 0.00 H new ATOM 403 N ASP A 24 13.284 -6.280 1.424 1.00 0.00 N ATOM 404 CA ASP A 24 12.138 -6.931 2.047 1.00 0.00 C ATOM 405 C ASP A 24 12.019 -6.549 3.521 1.00 0.00 C ATOM 406 O ASP A 24 10.957 -6.693 4.124 1.00 0.00 O ATOM 407 CB ASP A 24 12.255 -8.451 1.912 1.00 0.00 C ATOM 408 CG ASP A 24 13.521 -8.992 2.547 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.622 -8.617 2.089 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.414 -9.789 3.502 1.00 0.00 O ATOM 0 H ASP A 24 13.990 -6.923 1.064 1.00 0.00 H new ATOM 0 HA ASP A 24 11.239 -6.591 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.389 -8.922 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.237 -8.722 0.856 1.00 0.00 H new ATOM 415 N SER A 25 13.115 -6.062 4.099 1.00 0.00 N ATOM 416 CA SER A 25 13.125 -5.662 5.501 1.00 0.00 C ATOM 417 C SER A 25 12.230 -4.448 5.737 1.00 0.00 C ATOM 418 O SER A 25 11.806 -4.189 6.864 1.00 0.00 O ATOM 419 CB SER A 25 14.553 -5.351 5.953 1.00 0.00 C ATOM 420 OG SER A 25 14.754 -5.721 7.306 1.00 0.00 O ATOM 0 H SER A 25 14.005 -5.936 3.618 1.00 0.00 H new ATOM 0 HA SER A 25 12.734 -6.493 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.262 -5.883 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.752 -4.286 5.831 1.00 0.00 H new ATOM 0 HG SER A 25 15.675 -5.513 7.569 1.00 0.00 H new ATOM 426 N VAL A 26 11.949 -3.701 4.672 1.00 0.00 N ATOM 427 CA VAL A 26 11.109 -2.513 4.772 1.00 0.00 C ATOM 428 C VAL A 26 9.627 -2.875 4.752 1.00 0.00 C ATOM 429 O VAL A 26 8.828 -2.293 5.484 1.00 0.00 O ATOM 430 CB VAL A 26 11.400 -1.522 3.630 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.658 -0.213 3.855 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.896 -1.279 3.501 1.00 0.00 C ATOM 0 H VAL A 26 12.291 -3.898 3.731 1.00 0.00 H new ATOM 0 HA VAL A 26 11.348 -2.041 5.725 1.00 0.00 H new ATOM 0 HB VAL A 26 11.044 -1.959 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.876 0.474 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.586 -0.404 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.980 0.230 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.082 -0.576 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.279 -0.865 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.401 -2.221 3.288 1.00 0.00 H new ATOM 442 N LEU A 27 9.265 -3.835 3.906 1.00 0.00 N ATOM 443 CA LEU A 27 7.876 -4.268 3.790 1.00 0.00 C ATOM 444 C LEU A 27 7.331 -4.724 5.142 1.00 0.00 C ATOM 445 O LEU A 27 6.163 -4.502 5.459 1.00 0.00 O ATOM 446 CB LEU A 27 7.754 -5.398 2.759 1.00 0.00 C ATOM 447 CG LEU A 27 8.061 -6.804 3.285 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.800 -7.457 3.828 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.677 -7.660 2.189 1.00 0.00 C ATOM 0 H LEU A 27 9.913 -4.327 3.291 1.00 0.00 H new ATOM 0 HA LEU A 27 7.283 -3.418 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.741 -5.392 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.427 -5.184 1.929 1.00 0.00 H new ATOM 0 HG LEU A 27 8.781 -6.718 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.037 -8.455 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.400 -6.854 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.058 -7.531 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.889 -8.655 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.981 -7.739 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.604 -7.200 1.846 1.00 0.00 H new ATOM 461 N ASN A 28 8.185 -5.366 5.930 1.00 0.00 N ATOM 462 CA ASN A 28 7.793 -5.856 7.248 1.00 0.00 C ATOM 463 C ASN A 28 7.407 -4.707 8.178 1.00 0.00 C ATOM 464 O ASN A 28 6.782 -4.924 9.215 1.00 0.00 O ATOM 465 CB ASN A 28 8.929 -6.669 7.870 1.00 0.00 C ATOM 466 CG ASN A 28 8.423 -7.852 8.672 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.478 -8.531 8.271 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.051 -8.103 9.815 1.00 0.00 N ATOM 0 H ASN A 28 9.155 -5.560 5.680 1.00 0.00 H new ATOM 0 HA ASN A 28 6.920 -6.496 7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.591 -7.025 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.523 -6.023 8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.754 -8.885 10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.830 -7.514 10.109 1.00 0.00 H new ATOM 475 N GLU A 29 7.787 -3.487 7.809 1.00 0.00 N ATOM 476 CA GLU A 29 7.480 -2.315 8.621 1.00 0.00 C ATOM 477 C GLU A 29 6.140 -1.701 8.221 1.00 0.00 C ATOM 478 O GLU A 29 5.407 -1.183 9.063 1.00 0.00 O ATOM 479 CB GLU A 29 8.589 -1.272 8.484 1.00 0.00 C ATOM 480 CG GLU A 29 9.975 -1.813 8.795 1.00 0.00 C ATOM 481 CD GLU A 29 11.065 -0.779 8.595 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.754 0.430 8.651 1.00 0.00 O ATOM 483 OE2 GLU A 29 12.229 -1.177 8.380 1.00 0.00 O ATOM 0 H GLU A 29 8.307 -3.285 6.955 1.00 0.00 H new ATOM 0 HA GLU A 29 7.413 -2.636 9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.582 -0.877 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.376 -0.437 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.000 -2.166 9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.176 -2.674 8.158 1.00 0.00 H new ATOM 490 N VAL A 30 5.831 -1.749 6.930 1.00 0.00 N ATOM 491 CA VAL A 30 4.584 -1.189 6.422 1.00 0.00 C ATOM 492 C VAL A 30 3.457 -2.219 6.411 1.00 0.00 C ATOM 493 O VAL A 30 2.288 -1.875 6.585 1.00 0.00 O ATOM 494 CB VAL A 30 4.766 -0.619 5.001 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.173 -1.714 4.023 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.496 0.078 4.535 1.00 0.00 C ATOM 0 H VAL A 30 6.426 -2.170 6.217 1.00 0.00 H new ATOM 0 HA VAL A 30 4.309 -0.382 7.102 1.00 0.00 H new ATOM 0 HB VAL A 30 5.568 0.119 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.295 -1.286 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.115 -2.158 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.401 -2.483 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.646 0.473 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.672 -0.635 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.260 0.896 5.215 1.00 0.00 H new ATOM 506 N ILE A 31 3.811 -3.480 6.194 1.00 0.00 N ATOM 507 CA ILE A 31 2.822 -4.550 6.149 1.00 0.00 C ATOM 508 C ILE A 31 2.346 -4.935 7.550 1.00 0.00 C ATOM 509 O ILE A 31 1.145 -5.034 7.796 1.00 0.00 O ATOM 510 CB ILE A 31 3.380 -5.796 5.414 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.204 -5.631 3.905 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.697 -7.076 5.885 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.899 -4.409 3.343 1.00 0.00 C ATOM 0 H ILE A 31 4.773 -3.786 6.047 1.00 0.00 H new ATOM 0 HA ILE A 31 1.965 -4.171 5.591 1.00 0.00 H new ATOM 0 HB ILE A 31 4.441 -5.879 5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.588 -6.520 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.140 -5.571 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.113 -7.929 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.862 -7.204 6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.627 -7.011 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.731 -4.357 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.499 -3.513 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.969 -4.476 3.540 1.00 0.00 H new ATOM 525 N LEU A 32 3.288 -5.154 8.463 1.00 0.00 N ATOM 526 CA LEU A 32 2.941 -5.532 9.829 1.00 0.00 C ATOM 527 C LEU A 32 2.022 -4.494 10.473 1.00 0.00 C ATOM 528 O LEU A 32 1.298 -4.798 11.419 1.00 0.00 O ATOM 529 CB LEU A 32 4.209 -5.736 10.670 1.00 0.00 C ATOM 530 CG LEU A 32 4.667 -4.529 11.494 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.901 -4.878 12.310 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.942 -3.338 10.587 1.00 0.00 C ATOM 0 H LEU A 32 4.289 -5.077 8.284 1.00 0.00 H new ATOM 0 HA LEU A 32 2.398 -6.477 9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.041 -6.572 11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.021 -6.025 10.003 1.00 0.00 H new ATOM 0 HG LEU A 32 3.867 -4.258 12.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.212 -4.009 12.889 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.669 -5.701 12.987 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.708 -5.176 11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.266 -2.489 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.724 -3.597 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.032 -3.074 10.048 1.00 0.00 H new ATOM 544 N THR A 33 2.050 -3.268 9.954 1.00 0.00 N ATOM 545 CA THR A 33 1.209 -2.198 10.484 1.00 0.00 C ATOM 546 C THR A 33 -0.198 -2.275 9.900 1.00 0.00 C ATOM 547 O THR A 33 -1.168 -1.860 10.533 1.00 0.00 O ATOM 548 CB THR A 33 1.826 -0.830 10.172 1.00 0.00 C ATOM 549 OG1 THR A 33 3.093 -0.697 10.789 1.00 0.00 O ATOM 550 CG2 THR A 33 0.970 0.333 10.628 1.00 0.00 C ATOM 0 H THR A 33 2.643 -2.992 9.171 1.00 0.00 H new ATOM 0 HA THR A 33 1.145 -2.323 11.565 1.00 0.00 H new ATOM 0 HB THR A 33 1.910 -0.795 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.797 -0.896 10.137 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.466 1.270 10.376 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.002 0.289 10.130 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.826 0.277 11.707 1.00 0.00 H new ATOM 558 N LEU A 34 -0.298 -2.800 8.684 1.00 0.00 N ATOM 559 CA LEU A 34 -1.581 -2.923 8.001 1.00 0.00 C ATOM 560 C LEU A 34 -2.257 -4.258 8.304 1.00 0.00 C ATOM 561 O LEU A 34 -3.474 -4.388 8.175 1.00 0.00 O ATOM 562 CB LEU A 34 -1.381 -2.774 6.491 1.00 0.00 C ATOM 563 CG LEU A 34 -0.804 -1.429 6.046 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.063 -1.576 4.727 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.908 -0.389 5.928 1.00 0.00 C ATOM 0 H LEU A 34 0.497 -3.149 8.149 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.231 -2.129 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.719 -3.568 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.341 -2.923 5.996 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.094 -1.092 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.340 -0.609 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.753 -2.289 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.751 -1.936 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.480 0.562 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.642 -0.720 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.394 -0.263 6.895 1.00 0.00 H new ATOM 577 N ARG A 35 -1.466 -5.254 8.694 1.00 0.00 N ATOM 578 CA ARG A 35 -2.002 -6.579 8.993 1.00 0.00 C ATOM 579 C ARG A 35 -2.074 -6.840 10.497 1.00 0.00 C ATOM 580 O ARG A 35 -2.145 -7.993 10.924 1.00 0.00 O ATOM 581 CB ARG A 35 -1.150 -7.655 8.320 1.00 0.00 C ATOM 582 CG ARG A 35 -0.843 -7.357 6.862 1.00 0.00 C ATOM 583 CD ARG A 35 -0.503 -8.624 6.093 1.00 0.00 C ATOM 584 NE ARG A 35 -1.095 -8.627 4.758 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.945 -9.618 3.883 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.224 -10.687 4.196 1.00 0.00 N ATOM 587 NH2 ARG A 35 -1.520 -9.541 2.690 1.00 0.00 N ATOM 0 H ARG A 35 -0.456 -5.170 8.810 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.018 -6.617 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.213 -7.761 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.667 -8.612 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.702 -6.870 6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.009 -6.658 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.580 -8.719 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.857 -9.492 6.649 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.656 -7.822 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.219 -10.753 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.113 -11.443 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.077 -8.722 2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.405 -10.300 2.019 1.00 0.00 H new ATOM 601 N LYS A 36 -2.063 -5.779 11.298 1.00 0.00 N ATOM 602 CA LYS A 36 -2.133 -5.932 12.749 1.00 0.00 C ATOM 603 C LYS A 36 -3.383 -5.264 13.315 1.00 0.00 C ATOM 604 O LYS A 36 -4.187 -5.911 13.985 1.00 0.00 O ATOM 605 CB LYS A 36 -0.884 -5.343 13.407 1.00 0.00 C ATOM 606 CG LYS A 36 0.186 -6.376 13.715 1.00 0.00 C ATOM 607 CD LYS A 36 0.918 -6.051 15.008 1.00 0.00 C ATOM 608 CE LYS A 36 2.209 -5.295 14.743 1.00 0.00 C ATOM 609 NZ LYS A 36 3.118 -5.319 15.922 1.00 0.00 N ATOM 0 H LYS A 36 -2.007 -4.814 10.973 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.185 -6.998 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.463 -4.581 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.172 -4.844 14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.271 -7.363 13.792 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.900 -6.419 12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.272 -5.455 15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.139 -6.974 15.544 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.717 -5.734 13.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.978 -4.262 14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.987 -4.793 15.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.643 -4.878 16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.359 -6.304 16.154 1.00 0.00 H new ATOM 623 N LYS A 37 -3.541 -3.969 13.027 1.00 0.00 N ATOM 624 CA LYS A 37 -4.695 -3.188 13.492 1.00 0.00 C ATOM 625 C LYS A 37 -4.364 -1.697 13.542 1.00 0.00 C ATOM 626 O LYS A 37 -5.261 -0.855 13.541 1.00 0.00 O ATOM 627 CB LYS A 37 -5.155 -3.642 14.886 1.00 0.00 C ATOM 628 CG LYS A 37 -4.020 -3.788 15.887 1.00 0.00 C ATOM 629 CD LYS A 37 -4.526 -3.700 17.318 1.00 0.00 C ATOM 630 CE LYS A 37 -3.415 -3.313 18.280 1.00 0.00 C ATOM 631 NZ LYS A 37 -2.307 -4.310 18.281 1.00 0.00 N ATOM 0 H LYS A 37 -2.877 -3.433 12.468 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.500 -3.358 12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.878 -2.923 15.272 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.672 -4.597 14.795 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.520 -4.744 15.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.278 -3.009 15.714 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.330 -2.967 17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.948 -4.660 17.615 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.022 -2.334 18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.822 -3.222 19.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.611 -4.054 19.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.691 -5.255 18.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.846 -4.317 17.349 1.00 0.00 H new ATOM 645 N GLU A 38 -3.073 -1.376 13.592 1.00 0.00 N ATOM 646 CA GLU A 38 -2.633 0.013 13.649 1.00 0.00 C ATOM 647 C GLU A 38 -3.069 0.779 12.401 1.00 0.00 C ATOM 648 O GLU A 38 -2.567 0.528 11.304 1.00 0.00 O ATOM 649 CB GLU A 38 -1.111 0.077 13.794 1.00 0.00 C ATOM 650 CG GLU A 38 -0.587 1.470 14.103 1.00 0.00 C ATOM 651 CD GLU A 38 0.923 1.554 14.019 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.602 0.887 14.828 1.00 0.00 O ATOM 653 OE2 GLU A 38 1.429 2.288 13.143 1.00 0.00 O ATOM 0 H GLU A 38 -2.315 -2.059 13.594 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.098 0.480 14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.801 -0.603 14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.651 -0.279 12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.027 2.183 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.909 1.762 15.103 1.00 0.00 H new ATOM 660 N PRO A 39 -4.010 1.731 12.548 1.00 0.00 N ATOM 661 CA PRO A 39 -4.501 2.531 11.422 1.00 0.00 C ATOM 662 C PRO A 39 -3.438 3.485 10.889 1.00 0.00 C ATOM 663 O PRO A 39 -2.435 3.746 11.552 1.00 0.00 O ATOM 664 CB PRO A 39 -5.672 3.314 12.020 1.00 0.00 C ATOM 665 CG PRO A 39 -5.376 3.384 13.478 1.00 0.00 C ATOM 666 CD PRO A 39 -4.664 2.104 13.817 1.00 0.00 C ATOM 0 HA PRO A 39 -4.782 1.909 10.572 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.747 4.310 11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.621 2.812 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.755 4.249 13.709 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.293 3.486 14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.937 2.248 14.617 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.359 1.334 14.153 1.00 0.00 H new ATOM 674 N LEU A 40 -3.663 4.003 9.685 1.00 0.00 N ATOM 675 CA LEU A 40 -2.723 4.928 9.066 1.00 0.00 C ATOM 676 C LEU A 40 -2.999 6.364 9.502 1.00 0.00 C ATOM 677 O LEU A 40 -4.106 6.873 9.333 1.00 0.00 O ATOM 678 CB LEU A 40 -2.802 4.821 7.541 1.00 0.00 C ATOM 679 CG LEU A 40 -2.739 3.396 6.989 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.491 3.301 5.671 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.293 2.955 6.814 1.00 0.00 C ATOM 0 H LEU A 40 -4.487 3.797 9.120 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.719 4.658 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.731 5.283 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.985 5.399 7.108 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.217 2.728 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.435 2.280 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.535 3.574 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.043 3.981 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.268 1.939 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.790 3.626 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.785 2.984 7.778 1.00 0.00 H new ATOM 693 N ASP A 41 -1.984 7.008 10.068 1.00 0.00 N ATOM 694 CA ASP A 41 -2.114 8.385 10.533 1.00 0.00 C ATOM 695 C ASP A 41 -2.444 9.324 9.374 1.00 0.00 C ATOM 696 O ASP A 41 -2.164 9.014 8.215 1.00 0.00 O ATOM 697 CB ASP A 41 -0.824 8.836 11.220 1.00 0.00 C ATOM 698 CG ASP A 41 -0.620 8.166 12.564 1.00 0.00 C ATOM 699 OD1 ASP A 41 -1.576 8.142 13.367 1.00 0.00 O ATOM 700 OD2 ASP A 41 0.496 7.665 12.814 1.00 0.00 O ATOM 0 H ASP A 41 -1.062 6.599 10.216 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.933 8.424 11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.025 8.614 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.847 9.917 11.356 1.00 0.00 H new ATOM 705 N PRO A 42 -3.042 10.490 9.673 1.00 0.00 N ATOM 706 CA PRO A 42 -3.407 11.477 8.650 1.00 0.00 C ATOM 707 C PRO A 42 -2.185 12.077 7.963 1.00 0.00 C ATOM 708 O PRO A 42 -2.239 12.448 6.790 1.00 0.00 O ATOM 709 CB PRO A 42 -4.161 12.553 9.436 1.00 0.00 C ATOM 710 CG PRO A 42 -3.685 12.405 10.840 1.00 0.00 C ATOM 711 CD PRO A 42 -3.409 10.940 11.028 1.00 0.00 C ATOM 0 HA PRO A 42 -3.995 11.030 7.848 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.946 13.549 9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.239 12.410 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.786 12.997 11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.438 12.755 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.602 10.770 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.284 10.410 11.405 1.00 0.00 H new ATOM 719 N GLN A 43 -1.082 12.167 8.699 1.00 0.00 N ATOM 720 CA GLN A 43 0.156 12.719 8.158 1.00 0.00 C ATOM 721 C GLN A 43 0.649 11.896 6.968 1.00 0.00 C ATOM 722 O GLN A 43 1.450 12.372 6.164 1.00 0.00 O ATOM 723 CB GLN A 43 1.236 12.766 9.241 1.00 0.00 C ATOM 724 CG GLN A 43 0.999 13.844 10.288 1.00 0.00 C ATOM 725 CD GLN A 43 2.246 14.657 10.579 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.700 14.729 11.720 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.803 15.276 9.545 1.00 0.00 N ATOM 0 H GLN A 43 -1.020 11.865 9.671 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.050 13.733 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.286 11.796 9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.204 12.935 8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.207 14.510 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.649 13.380 11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.392 15.188 8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.642 15.840 9.680 1.00 0.00 H new ATOM 736 N PHE A 44 0.168 10.661 6.865 1.00 0.00 N ATOM 737 CA PHE A 44 0.558 9.773 5.776 1.00 0.00 C ATOM 738 C PHE A 44 0.129 10.338 4.420 1.00 0.00 C ATOM 739 O PHE A 44 0.618 9.902 3.378 1.00 0.00 O ATOM 740 CB PHE A 44 -0.056 8.386 5.978 1.00 0.00 C ATOM 741 CG PHE A 44 0.684 7.534 6.972 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.190 8.082 8.141 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.872 6.181 6.735 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.869 7.298 9.055 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.551 5.392 7.647 1.00 0.00 C ATOM 746 CZ PHE A 44 2.050 5.951 8.807 1.00 0.00 C ATOM 0 H PHE A 44 -0.494 10.252 7.524 1.00 0.00 H new ATOM 0 HA PHE A 44 1.645 9.691 5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.088 8.500 6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.084 7.868 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.052 9.135 8.340 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.485 5.738 5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.257 7.738 9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.691 4.339 7.452 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.581 5.336 9.519 1.00 0.00 H new ATOM 756 N GLN A 45 -0.786 11.305 4.443 1.00 0.00 N ATOM 757 CA GLN A 45 -1.281 11.925 3.216 1.00 0.00 C ATOM 758 C GLN A 45 -2.094 10.931 2.392 1.00 0.00 C ATOM 759 O GLN A 45 -1.841 10.739 1.202 1.00 0.00 O ATOM 760 CB GLN A 45 -0.120 12.473 2.382 1.00 0.00 C ATOM 761 CG GLN A 45 0.767 13.449 3.138 1.00 0.00 C ATOM 762 CD GLN A 45 2.176 13.510 2.580 1.00 0.00 C ATOM 763 OE1 GLN A 45 2.372 13.700 1.380 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.165 13.347 3.451 1.00 0.00 N ATOM 0 H GLN A 45 -1.200 11.676 5.298 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.932 12.753 3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.489 11.640 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.521 12.970 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.322 14.443 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.808 13.158 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.956 13.192 4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.134 13.377 3.134 1.00 0.00 H new ATOM 773 N ASP A 46 -3.071 10.301 3.036 1.00 0.00 N ATOM 774 CA ASP A 46 -3.925 9.327 2.365 1.00 0.00 C ATOM 775 C ASP A 46 -5.126 10.012 1.723 1.00 0.00 C ATOM 776 O ASP A 46 -6.044 10.456 2.414 1.00 0.00 O ATOM 777 CB ASP A 46 -4.399 8.266 3.359 1.00 0.00 C ATOM 778 CG ASP A 46 -5.169 8.861 4.521 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.008 10.071 4.782 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.935 8.116 5.167 1.00 0.00 O ATOM 0 H ASP A 46 -3.291 10.447 4.021 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.341 8.845 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.030 7.544 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.537 7.720 3.741 1.00 0.00 H new ATOM 785 N HIS A 47 -5.114 10.096 0.396 1.00 0.00 N ATOM 786 CA HIS A 47 -6.202 10.728 -0.341 1.00 0.00 C ATOM 787 C HIS A 47 -6.362 10.097 -1.720 1.00 0.00 C ATOM 788 O HIS A 47 -5.779 9.053 -2.008 1.00 0.00 O ATOM 789 CB HIS A 47 -5.949 12.231 -0.476 1.00 0.00 C ATOM 790 CG HIS A 47 -7.075 13.076 0.032 1.00 0.00 C ATOM 791 ND1 HIS A 47 -8.400 12.712 -0.076 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.067 14.278 0.659 1.00 0.00 C ATOM 793 CE1 HIS A 47 -9.159 13.652 0.458 1.00 0.00 C ATOM 794 NE2 HIS A 47 -8.375 14.612 0.912 1.00 0.00 N ATOM 0 H HIS A 47 -4.362 9.734 -0.191 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.126 10.573 0.217 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.039 12.488 0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.772 12.468 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.195 14.863 0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.237 13.638 0.514 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.690 15.464 1.376 1.00 0.00 H new ATOM 803 N ALA A 48 -7.153 10.741 -2.570 1.00 0.00 N ATOM 804 CA ALA A 48 -7.389 10.247 -3.921 1.00 0.00 C ATOM 805 C ALA A 48 -6.377 10.825 -4.902 1.00 0.00 C ATOM 806 O ALA A 48 -6.202 12.042 -4.983 1.00 0.00 O ATOM 807 CB ALA A 48 -8.807 10.578 -4.364 1.00 0.00 C ATOM 0 H ALA A 48 -7.642 11.608 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.267 9.164 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.969 10.203 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.519 10.110 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.950 11.659 -4.351 1.00 0.00 H new ATOM 813 N LEU A 49 -5.712 9.949 -5.646 1.00 0.00 N ATOM 814 CA LEU A 49 -4.718 10.374 -6.623 1.00 0.00 C ATOM 815 C LEU A 49 -5.365 11.189 -7.738 1.00 0.00 C ATOM 816 O LEU A 49 -6.590 11.245 -7.847 1.00 0.00 O ATOM 817 CB LEU A 49 -3.997 9.159 -7.213 1.00 0.00 C ATOM 818 CG LEU A 49 -3.090 8.407 -6.234 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.676 7.043 -5.900 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.689 8.259 -6.809 1.00 0.00 C ATOM 0 H LEU A 49 -5.844 8.939 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.990 11.005 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.743 8.465 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.397 9.488 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.025 8.987 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.017 6.525 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.658 7.171 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.773 6.455 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.059 7.722 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.737 7.702 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.266 9.246 -6.995 1.00 0.00 H new ATOM 832 N LYS A 50 -4.535 11.820 -8.562 1.00 0.00 N ATOM 833 CA LYS A 50 -5.029 12.631 -9.669 1.00 0.00 C ATOM 834 C LYS A 50 -4.970 11.860 -10.983 1.00 0.00 C ATOM 835 O LYS A 50 -4.348 10.801 -11.064 1.00 0.00 O ATOM 836 CB LYS A 50 -4.215 13.922 -9.786 1.00 0.00 C ATOM 837 CG LYS A 50 -2.715 13.689 -9.868 1.00 0.00 C ATOM 838 CD LYS A 50 -2.114 14.327 -11.112 1.00 0.00 C ATOM 839 CE LYS A 50 -1.428 15.645 -10.788 1.00 0.00 C ATOM 840 NZ LYS A 50 0.048 15.491 -10.676 1.00 0.00 N ATOM 0 H LYS A 50 -3.519 11.786 -8.484 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.070 12.881 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.539 14.467 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.429 14.556 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.234 14.099 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.513 12.618 -9.874 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.395 13.642 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.898 14.496 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.659 16.375 -11.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.824 16.039 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.477 16.412 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.270 14.814 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.430 15.139 -11.577 1.00 0.00 H new ATOM 854 N GLY A 51 -5.621 12.397 -12.008 1.00 0.00 N ATOM 855 CA GLY A 51 -5.632 11.747 -13.304 1.00 0.00 C ATOM 856 C GLY A 51 -6.656 10.633 -13.387 1.00 0.00 C ATOM 857 O GLY A 51 -7.835 10.841 -13.103 1.00 0.00 O ATOM 0 H GLY A 51 -6.142 13.273 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.842 12.487 -14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.642 11.342 -13.512 1.00 0.00 H new ATOM 861 N LYS A 52 -6.205 9.444 -13.777 1.00 0.00 N ATOM 862 CA LYS A 52 -7.090 8.292 -13.896 1.00 0.00 C ATOM 863 C LYS A 52 -7.143 7.493 -12.593 1.00 0.00 C ATOM 864 O LYS A 52 -7.909 6.538 -12.474 1.00 0.00 O ATOM 865 CB LYS A 52 -6.632 7.390 -15.043 1.00 0.00 C ATOM 866 CG LYS A 52 -7.128 7.841 -16.407 1.00 0.00 C ATOM 867 CD LYS A 52 -6.339 9.036 -16.919 1.00 0.00 C ATOM 868 CE LYS A 52 -7.248 10.072 -17.559 1.00 0.00 C ATOM 869 NZ LYS A 52 -6.522 10.917 -18.546 1.00 0.00 N ATOM 0 H LYS A 52 -5.232 9.254 -14.016 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.093 8.662 -14.107 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.543 7.356 -15.055 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.980 6.374 -14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.045 7.018 -17.116 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.185 8.101 -16.343 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.791 9.492 -16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.600 8.700 -17.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.079 9.569 -18.054 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.676 10.707 -16.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.178 11.610 -18.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.745 11.417 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.135 10.315 -19.300 1.00 0.00 H new ATOM 883 N TRP A 53 -6.323 7.885 -11.619 1.00 0.00 N ATOM 884 CA TRP A 53 -6.286 7.201 -10.333 1.00 0.00 C ATOM 885 C TRP A 53 -7.137 7.934 -9.300 1.00 0.00 C ATOM 886 O TRP A 53 -6.855 7.889 -8.101 1.00 0.00 O ATOM 887 CB TRP A 53 -4.842 7.089 -9.834 1.00 0.00 C ATOM 888 CG TRP A 53 -3.892 6.582 -10.876 1.00 0.00 C ATOM 889 CD1 TRP A 53 -4.109 5.560 -11.756 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.574 7.072 -11.144 1.00 0.00 C ATOM 891 NE1 TRP A 53 -3.006 5.387 -12.556 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.049 6.302 -12.200 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.785 8.087 -10.595 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.774 6.516 -12.717 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.520 8.299 -11.109 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.026 7.518 -12.161 1.00 0.00 C ATOM 0 H TRP A 53 -5.678 8.671 -11.698 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.696 6.201 -10.470 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.506 8.068 -9.492 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.814 6.423 -8.972 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.015 4.974 -11.814 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.914 4.690 -13.295 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.158 8.695 -9.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.390 5.914 -13.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.098 9.080 -10.692 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.966 7.710 -12.542 1.00 0.00 H new ATOM 907 N LYS A 54 -8.179 8.612 -9.772 1.00 0.00 N ATOM 908 CA LYS A 54 -9.071 9.358 -8.893 1.00 0.00 C ATOM 909 C LYS A 54 -9.861 8.424 -7.977 1.00 0.00 C ATOM 910 O LYS A 54 -9.810 8.562 -6.754 1.00 0.00 O ATOM 911 CB LYS A 54 -10.030 10.221 -9.718 1.00 0.00 C ATOM 912 CG LYS A 54 -10.009 11.691 -9.331 1.00 0.00 C ATOM 913 CD LYS A 54 -11.368 12.342 -9.538 1.00 0.00 C ATOM 914 CE LYS A 54 -11.723 12.432 -11.013 1.00 0.00 C ATOM 915 NZ LYS A 54 -12.783 11.456 -11.390 1.00 0.00 N ATOM 0 H LYS A 54 -8.426 8.660 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.457 10.005 -8.266 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.774 10.128 -10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.043 9.837 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.713 11.789 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.260 12.214 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.132 11.768 -9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.364 13.341 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.061 13.442 -11.244 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.831 12.249 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.996 11.549 -12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.451 10.490 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.643 11.646 -10.836 1.00 0.00 H new ATOM 929 N PRO A 55 -10.603 7.458 -8.548 1.00 0.00 N ATOM 930 CA PRO A 55 -11.398 6.510 -7.760 1.00 0.00 C ATOM 931 C PRO A 55 -10.546 5.695 -6.790 1.00 0.00 C ATOM 932 O PRO A 55 -11.074 5.030 -5.898 1.00 0.00 O ATOM 933 CB PRO A 55 -12.037 5.595 -8.813 1.00 0.00 C ATOM 934 CG PRO A 55 -11.232 5.797 -10.051 1.00 0.00 C ATOM 935 CD PRO A 55 -10.732 7.211 -9.994 1.00 0.00 C ATOM 0 HA PRO A 55 -12.126 7.025 -7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.014 4.553 -8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.083 5.855 -8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.402 5.091 -10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.839 5.633 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.778 7.323 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.430 7.905 -10.461 1.00 0.00 H new ATOM 943 N PHE A 56 -9.227 5.748 -6.961 1.00 0.00 N ATOM 944 CA PHE A 56 -8.317 5.011 -6.093 1.00 0.00 C ATOM 945 C PHE A 56 -7.837 5.887 -4.940 1.00 0.00 C ATOM 946 O PHE A 56 -8.069 7.097 -4.927 1.00 0.00 O ATOM 947 CB PHE A 56 -7.118 4.495 -6.890 1.00 0.00 C ATOM 948 CG PHE A 56 -7.502 3.691 -8.099 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.510 2.744 -8.025 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.852 3.880 -9.309 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.866 2.000 -9.135 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.201 3.140 -10.422 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.210 2.199 -10.335 1.00 0.00 C ATOM 0 H PHE A 56 -8.767 6.292 -7.691 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.860 4.161 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.510 5.343 -7.206 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.496 3.882 -6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -9.024 2.585 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.064 4.614 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.655 1.265 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.686 3.296 -11.359 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.485 1.620 -11.204 1.00 0.00 H new ATOM 963 N ARG A 57 -7.167 5.269 -3.973 1.00 0.00 N ATOM 964 CA ARG A 57 -6.654 5.993 -2.814 1.00 0.00 C ATOM 965 C ARG A 57 -5.195 5.633 -2.553 1.00 0.00 C ATOM 966 O ARG A 57 -4.825 4.460 -2.549 1.00 0.00 O ATOM 967 CB ARG A 57 -7.499 5.684 -1.577 1.00 0.00 C ATOM 968 CG ARG A 57 -7.312 6.684 -0.447 1.00 0.00 C ATOM 969 CD ARG A 57 -8.556 6.785 0.421 1.00 0.00 C ATOM 970 NE ARG A 57 -8.975 8.172 0.619 1.00 0.00 N ATOM 971 CZ ARG A 57 -8.553 8.942 1.622 1.00 0.00 C ATOM 972 NH1 ARG A 57 -7.697 8.471 2.519 1.00 0.00 N ATOM 973 NH2 ARG A 57 -8.988 10.191 1.724 1.00 0.00 N ATOM 0 H ARG A 57 -6.966 4.269 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.714 7.060 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.551 5.663 -1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.247 4.687 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.462 6.386 0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.077 7.664 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.368 6.224 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.361 6.324 1.389 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.630 8.575 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.356 7.512 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.379 9.067 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.644 10.560 1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.666 10.782 2.491 1.00 0.00 H new ATOM 987 N GLU A 58 -4.370 6.651 -2.336 1.00 0.00 N ATOM 988 CA GLU A 58 -2.951 6.442 -2.075 1.00 0.00 C ATOM 989 C GLU A 58 -2.632 6.645 -0.597 1.00 0.00 C ATOM 990 O GLU A 58 -3.470 7.119 0.170 1.00 0.00 O ATOM 991 CB GLU A 58 -2.108 7.394 -2.927 1.00 0.00 C ATOM 992 CG GLU A 58 -0.891 6.735 -3.555 1.00 0.00 C ATOM 993 CD GLU A 58 0.084 7.743 -4.133 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.143 8.878 -3.613 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.790 7.397 -5.103 1.00 0.00 O ATOM 0 H GLU A 58 -4.659 7.629 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.707 5.414 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.733 7.811 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.779 8.228 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.381 6.131 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.216 6.056 -4.343 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.415 6.282 -0.205 1.00 0.00 N ATOM 1003 CA CYS A 59 -0.983 6.423 1.181 1.00 0.00 C ATOM 1004 C CYS A 59 0.533 6.292 1.291 1.00 0.00 C ATOM 1005 O CYS A 59 1.109 5.280 0.888 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.663 5.374 2.061 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.492 5.675 3.835 1.00 0.00 S ATOM 0 H CYS A 59 -0.710 5.888 -0.828 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.272 7.416 1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.723 5.337 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.246 4.394 1.828 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.548 4.921 4.314 1.00 0.00 H new ATOM 1013 N HIS A 60 1.173 7.321 1.835 1.00 0.00 N ATOM 1014 CA HIS A 60 2.623 7.322 1.994 1.00 0.00 C ATOM 1015 C HIS A 60 3.024 6.799 3.369 1.00 0.00 C ATOM 1016 O HIS A 60 3.253 7.576 4.297 1.00 0.00 O ATOM 1017 CB HIS A 60 3.176 8.734 1.793 1.00 0.00 C ATOM 1018 CG HIS A 60 2.945 9.277 0.416 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.880 10.027 -0.264 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.876 9.176 -0.409 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.398 10.364 -1.447 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.184 9.859 -1.559 1.00 0.00 N ATOM 0 H HIS A 60 0.711 8.165 2.173 1.00 0.00 H new ATOM 0 HA HIS A 60 3.045 6.660 1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.716 9.403 2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.247 8.729 1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.953 8.655 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.910 10.952 -2.194 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.573 9.960 -2.370 1.00 0.00 H new ATOM 1031 N ILE A 61 3.111 5.479 3.493 1.00 0.00 N ATOM 1032 CA ILE A 61 3.491 4.854 4.754 1.00 0.00 C ATOM 1033 C ILE A 61 4.923 5.218 5.129 1.00 0.00 C ATOM 1034 O ILE A 61 5.198 5.636 6.254 1.00 0.00 O ATOM 1035 CB ILE A 61 3.365 3.316 4.678 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.936 2.922 4.291 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.757 2.677 6.006 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.795 2.478 2.851 1.00 0.00 C ATOM 0 H ILE A 61 2.924 4.822 2.736 1.00 0.00 H new ATOM 0 HA ILE A 61 2.809 5.229 5.517 1.00 0.00 H new ATOM 0 HB ILE A 61 4.048 2.949 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.601 2.116 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.275 3.770 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.661 1.594 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.789 2.934 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.101 3.045 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.756 2.215 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.098 3.289 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.429 1.609 2.674 1.00 0.00 H new ATOM 1050 N LYS A 62 5.829 5.053 4.174 1.00 0.00 N ATOM 1051 CA LYS A 62 7.238 5.356 4.387 1.00 0.00 C ATOM 1052 C LYS A 62 7.651 6.578 3.570 1.00 0.00 C ATOM 1053 O LYS A 62 6.865 7.094 2.775 1.00 0.00 O ATOM 1054 CB LYS A 62 8.095 4.150 3.992 1.00 0.00 C ATOM 1055 CG LYS A 62 8.412 3.209 5.142 1.00 0.00 C ATOM 1056 CD LYS A 62 7.151 2.615 5.752 1.00 0.00 C ATOM 1057 CE LYS A 62 7.246 2.547 7.268 1.00 0.00 C ATOM 1058 NZ LYS A 62 6.432 1.430 7.827 1.00 0.00 N ATOM 0 H LYS A 62 5.611 4.709 3.239 1.00 0.00 H new ATOM 0 HA LYS A 62 7.392 5.576 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.578 3.591 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.030 4.508 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.057 2.405 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.968 3.748 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.289 3.218 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.988 1.615 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.288 2.419 7.561 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.909 3.491 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.924 1.018 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.504 1.793 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.299 0.699 7.099 1.00 0.00 H new ATOM 1072 N PRO A 63 8.894 7.061 3.750 1.00 0.00 N ATOM 1073 CA PRO A 63 9.402 8.228 3.021 1.00 0.00 C ATOM 1074 C PRO A 63 9.612 7.951 1.535 1.00 0.00 C ATOM 1075 O PRO A 63 9.932 8.855 0.765 1.00 0.00 O ATOM 1076 CB PRO A 63 10.742 8.540 3.704 1.00 0.00 C ATOM 1077 CG PRO A 63 10.764 7.714 4.949 1.00 0.00 C ATOM 1078 CD PRO A 63 9.897 6.520 4.673 1.00 0.00 C ATOM 0 HA PRO A 63 8.693 9.055 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.580 8.290 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.825 9.602 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.781 7.408 5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.386 8.281 5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.462 5.703 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.442 6.130 5.583 1.00 0.00 H new ATOM 1086 N ASP A 64 9.429 6.697 1.143 1.00 0.00 N ATOM 1087 CA ASP A 64 9.596 6.296 -0.250 1.00 0.00 C ATOM 1088 C ASP A 64 8.684 5.119 -0.588 1.00 0.00 C ATOM 1089 O ASP A 64 9.043 4.253 -1.384 1.00 0.00 O ATOM 1090 CB ASP A 64 11.054 5.926 -0.524 1.00 0.00 C ATOM 1091 CG ASP A 64 11.527 6.408 -1.881 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.828 7.614 -2.010 1.00 0.00 O ATOM 1093 OD2 ASP A 64 11.597 5.581 -2.814 1.00 0.00 O ATOM 0 H ASP A 64 9.164 5.938 1.771 1.00 0.00 H new ATOM 0 HA ASP A 64 9.320 7.139 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.687 6.356 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.169 4.844 -0.466 1.00 0.00 H new ATOM 1098 N VAL A 65 7.506 5.097 0.027 1.00 0.00 N ATOM 1099 CA VAL A 65 6.542 4.026 -0.204 1.00 0.00 C ATOM 1100 C VAL A 65 5.144 4.591 -0.433 1.00 0.00 C ATOM 1101 O VAL A 65 4.748 5.570 0.197 1.00 0.00 O ATOM 1102 CB VAL A 65 6.506 3.044 0.983 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.455 1.965 0.778 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.874 2.420 1.200 1.00 0.00 C ATOM 0 H VAL A 65 7.196 5.808 0.689 1.00 0.00 H new ATOM 0 HA VAL A 65 6.863 3.490 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 65 6.234 3.609 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.456 1.289 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.473 2.427 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.682 1.404 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.829 1.729 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.174 1.879 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.602 3.203 1.411 1.00 0.00 H new ATOM 1114 N LEU A 66 4.400 3.963 -1.338 1.00 0.00 N ATOM 1115 CA LEU A 66 3.044 4.401 -1.652 1.00 0.00 C ATOM 1116 C LEU A 66 2.153 3.211 -1.988 1.00 0.00 C ATOM 1117 O LEU A 66 2.171 2.706 -3.111 1.00 0.00 O ATOM 1118 CB LEU A 66 3.052 5.390 -2.823 1.00 0.00 C ATOM 1119 CG LEU A 66 4.359 6.160 -3.025 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.408 6.772 -4.416 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.515 7.237 -1.960 1.00 0.00 C ATOM 0 H LEU A 66 4.713 3.149 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 66 2.643 4.901 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.827 4.844 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.246 6.109 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 66 5.189 5.460 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.344 7.316 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.344 5.981 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.570 7.458 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.450 7.774 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.680 7.935 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.527 6.774 -0.973 1.00 0.00 H new ATOM 1133 N LEU A 67 1.374 2.767 -1.007 1.00 0.00 N ATOM 1134 CA LEU A 67 0.474 1.635 -1.198 1.00 0.00 C ATOM 1135 C LEU A 67 -0.942 2.121 -1.502 1.00 0.00 C ATOM 1136 O LEU A 67 -1.600 2.723 -0.654 1.00 0.00 O ATOM 1137 CB LEU A 67 0.492 0.740 0.049 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.805 -0.019 0.348 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.284 -0.777 -0.883 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.605 -0.968 1.520 1.00 0.00 C ATOM 0 H LEU A 67 1.348 3.174 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 67 0.816 1.049 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.298 0.014 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.735 1.359 0.913 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.573 0.706 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.206 -1.308 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.468 -0.073 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.521 -1.493 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.535 -1.500 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.179 -1.686 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.315 -0.399 2.403 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.401 1.855 -2.722 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.733 2.263 -3.149 1.00 0.00 C ATOM 1154 C VAL A 68 -3.784 1.236 -2.739 1.00 0.00 C ATOM 1155 O VAL A 68 -3.567 0.031 -2.858 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.789 2.462 -4.677 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.171 2.926 -5.116 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.718 3.446 -5.125 1.00 0.00 C ATOM 0 H VAL A 68 -0.866 1.357 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.950 3.210 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.593 1.502 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.184 3.059 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.912 2.179 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.408 3.873 -4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.772 3.575 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.880 4.407 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.735 3.062 -4.854 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.925 1.723 -2.262 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.013 0.846 -1.839 1.00 0.00 C ATOM 1170 C TYR A 69 -7.367 1.457 -2.181 1.00 0.00 C ATOM 1171 O TYR A 69 -7.533 2.677 -2.164 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.926 0.576 -0.336 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.100 1.815 0.513 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.365 2.330 0.771 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -5.002 2.469 1.057 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.529 3.463 1.546 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.159 3.601 1.833 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.424 4.094 2.075 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.583 5.222 2.848 1.00 0.00 O ATOM 0 H TYR A 69 -5.121 2.719 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.914 -0.098 -2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.689 -0.152 -0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.959 0.125 -0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.233 1.837 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.009 2.086 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.519 3.852 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.295 4.098 2.248 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.752 5.405 3.335 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.336 0.601 -2.493 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.677 1.055 -2.842 1.00 0.00 C ATOM 1191 C LEU A 70 -10.642 0.846 -1.678 1.00 0.00 C ATOM 1192 O LEU A 70 -10.403 0.014 -0.804 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.181 0.316 -4.084 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.830 1.203 -5.148 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.787 0.522 -6.508 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.264 1.536 -4.761 1.00 0.00 C ATOM 0 H LEU A 70 -8.217 -0.412 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.629 2.122 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.343 -0.214 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.904 -0.437 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.266 2.134 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.253 1.167 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.751 0.334 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.327 -0.424 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.711 2.168 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.839 0.615 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.270 2.064 -3.808 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.731 1.610 -1.675 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.730 1.508 -0.617 1.00 0.00 C ATOM 1210 C VAL A 71 -14.005 0.841 -1.123 1.00 0.00 C ATOM 1211 O VAL A 71 -14.749 1.422 -1.914 1.00 0.00 O ATOM 1212 CB VAL A 71 -13.082 2.893 -0.043 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.971 2.753 1.183 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.819 3.671 0.290 1.00 0.00 C ATOM 0 H VAL A 71 -11.943 2.304 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.293 0.895 0.171 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.633 3.450 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.209 3.742 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.893 2.240 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.449 2.176 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -12.089 4.647 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.237 3.120 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.225 3.804 -0.614 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.252 -0.379 -0.659 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.439 -1.125 -1.060 1.00 0.00 C ATOM 1226 C LYS A 72 -16.647 -0.702 -0.227 1.00 0.00 C ATOM 1227 O LYS A 72 -16.501 -0.041 0.800 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.198 -2.628 -0.907 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.802 -3.461 -2.025 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.321 -2.997 -3.392 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.404 -2.225 -4.133 1.00 0.00 C ATOM 1232 NZ LYS A 72 -15.929 -0.880 -4.564 1.00 0.00 N ATOM 0 H LYS A 72 -13.645 -0.873 -0.004 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.644 -0.904 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.124 -2.813 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.613 -2.958 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.538 -4.509 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.889 -3.397 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.440 -2.367 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.018 -3.860 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.724 -2.794 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.276 -2.113 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.330 -0.153 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.891 -0.846 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.234 -0.701 -5.542 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.840 -1.089 -0.680 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.081 -0.751 0.015 1.00 0.00 C ATOM 1248 C ASP A 73 -18.932 -0.906 1.529 1.00 0.00 C ATOM 1249 O ASP A 73 -19.541 -0.165 2.301 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.225 -1.636 -0.485 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.583 -1.127 -0.043 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.835 -1.095 1.181 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -22.395 -0.764 -0.919 1.00 0.00 O ATOM 0 H ASP A 73 -17.972 -1.639 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.309 0.293 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.195 -1.684 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.083 -2.652 -0.117 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.115 -1.867 1.941 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.880 -2.117 3.357 1.00 0.00 C ATOM 1260 C ASP A 74 -16.628 -2.967 3.557 1.00 0.00 C ATOM 1261 O ASP A 74 -16.530 -3.731 4.516 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.093 -2.811 3.983 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.644 -2.050 5.174 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.400 -1.080 4.959 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.317 -2.424 6.320 1.00 0.00 O ATOM 0 H ASP A 74 -17.603 -2.487 1.313 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.728 -1.158 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.875 -2.919 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.811 -3.816 4.296 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.673 -2.827 2.640 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.428 -3.582 2.711 1.00 0.00 C ATOM 1272 C GLU A 75 -13.282 -2.792 2.087 1.00 0.00 C ATOM 1273 O GLU A 75 -13.508 -1.849 1.328 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.578 -4.927 1.994 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.534 -5.887 2.686 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.943 -7.043 1.795 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.485 -6.786 0.699 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.726 -8.207 2.193 1.00 0.00 O ATOM 0 H GLU A 75 -15.739 -2.198 1.840 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.200 -3.761 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.929 -4.749 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.598 -5.398 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.062 -6.277 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.424 -5.343 3.002 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.052 -3.183 2.406 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.873 -2.512 1.869 1.00 0.00 C ATOM 1287 C LEU A 76 -10.052 -3.470 1.013 1.00 0.00 C ATOM 1288 O LEU A 76 -9.849 -4.628 1.377 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.012 -1.955 3.004 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.239 -0.678 2.664 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.199 0.479 2.430 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.253 -0.342 3.772 1.00 0.00 C ATOM 0 H LEU A 76 -11.846 -3.960 3.033 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.208 -1.685 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.654 -1.755 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.300 -2.722 3.310 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.677 -0.848 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.633 1.379 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.865 0.237 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.788 0.651 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.712 0.568 3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.793 -0.191 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.546 -1.163 3.891 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.581 -2.981 -0.129 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.785 -3.798 -1.036 1.00 0.00 C ATOM 1306 C ILE A 77 -7.478 -3.100 -1.407 1.00 0.00 C ATOM 1307 O ILE A 77 -7.458 -1.898 -1.671 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.566 -4.129 -2.325 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.836 -2.856 -3.133 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.872 -4.836 -1.987 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.812 -2.602 -4.216 1.00 0.00 C ATOM 0 H ILE A 77 -9.737 -2.025 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.558 -4.725 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.959 -4.798 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.824 -2.926 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.856 -2.002 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.412 -5.063 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.657 -5.762 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.484 -4.189 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.065 -1.685 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.824 -2.500 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.807 -3.438 -4.916 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.391 -3.864 -1.428 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.083 -3.320 -1.771 1.00 0.00 C ATOM 1325 C LEU A 78 -4.892 -3.286 -3.284 1.00 0.00 C ATOM 1326 O LEU A 78 -4.940 -4.320 -3.949 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.974 -4.154 -1.124 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.031 -4.235 0.403 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.861 -5.046 0.938 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.035 -2.838 1.010 1.00 0.00 C ATOM 0 H LEU A 78 -6.390 -4.861 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.029 -2.300 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.018 -5.165 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.010 -3.737 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.955 -4.737 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.918 -5.093 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.901 -6.055 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.925 -4.572 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.076 -2.914 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.127 -2.311 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.905 -2.288 0.652 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.679 -2.090 -3.823 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.483 -1.924 -5.259 1.00 0.00 C ATOM 1344 C LEU A 79 -3.064 -2.316 -5.664 1.00 0.00 C ATOM 1345 O LEU A 79 -2.861 -3.325 -6.338 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.770 -0.478 -5.670 1.00 0.00 C ATOM 1347 CG LEU A 79 -6.171 -0.232 -6.235 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.043 0.483 -5.214 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -6.094 0.572 -7.526 1.00 0.00 C ATOM 0 H LEU A 79 -4.638 -1.222 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.180 -2.583 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.626 0.166 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.035 -0.176 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.624 -1.198 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.035 0.649 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.128 -0.129 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.592 1.442 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.100 0.737 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.619 1.533 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.508 0.022 -8.262 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.086 -1.518 -5.246 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.690 -1.795 -5.569 1.00 0.00 C ATOM 1363 C ARG A 80 0.256 -1.013 -4.662 1.00 0.00 C ATOM 1364 O ARG A 80 -0.169 -0.133 -3.913 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.403 -1.466 -7.038 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.410 0.023 -7.351 1.00 0.00 C ATOM 1367 CD ARG A 80 -1.687 0.435 -8.059 1.00 0.00 C ATOM 1368 NE ARG A 80 -1.767 1.881 -8.252 1.00 0.00 N ATOM 1369 CZ ARG A 80 -2.640 2.473 -9.064 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -3.509 1.749 -9.756 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -2.643 3.794 -9.183 1.00 0.00 N ATOM 0 H ARG A 80 -2.233 -0.678 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.517 -2.858 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.568 -1.879 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.146 -1.962 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.306 0.591 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.449 0.269 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.741 -0.063 -9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.547 0.099 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.116 2.471 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.511 0.733 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.176 2.208 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.977 4.355 -8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.312 4.249 -9.805 1.00 0.00 H new ATOM 1385 N LEU A 81 1.540 -1.345 -4.739 1.00 0.00 N ATOM 1386 CA LEU A 81 2.557 -0.681 -3.931 1.00 0.00 C ATOM 1387 C LEU A 81 3.687 -0.157 -4.812 1.00 0.00 C ATOM 1388 O LEU A 81 4.177 -0.865 -5.693 1.00 0.00 O ATOM 1389 CB LEU A 81 3.114 -1.649 -2.881 1.00 0.00 C ATOM 1390 CG LEU A 81 4.150 -1.055 -1.920 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.497 -0.901 -2.610 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.671 0.281 -1.371 1.00 0.00 C ATOM 0 H LEU A 81 1.902 -2.073 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 81 2.094 0.165 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.282 -2.040 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.566 -2.496 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 81 4.272 -1.743 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.218 -0.478 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.847 -1.877 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.392 -0.238 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.421 0.685 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.515 0.978 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.734 0.138 -0.833 1.00 0.00 H new ATOM 1404 N GLY A 82 4.097 1.083 -4.570 1.00 0.00 N ATOM 1405 CA GLY A 82 5.167 1.674 -5.353 1.00 0.00 C ATOM 1406 C GLY A 82 5.809 2.860 -4.659 1.00 0.00 C ATOM 1407 O GLY A 82 5.564 3.103 -3.478 1.00 0.00 O ATOM 0 H GLY A 82 3.709 1.689 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.927 0.919 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.773 1.992 -6.318 1.00 0.00 H new ATOM 1411 N SER A 83 6.634 3.598 -5.395 1.00 0.00 N ATOM 1412 CA SER A 83 7.315 4.764 -4.844 1.00 0.00 C ATOM 1413 C SER A 83 7.010 6.008 -5.671 1.00 0.00 C ATOM 1414 O SER A 83 6.305 5.941 -6.677 1.00 0.00 O ATOM 1415 CB SER A 83 8.825 4.524 -4.796 1.00 0.00 C ATOM 1416 OG SER A 83 9.117 3.163 -4.525 1.00 0.00 O ATOM 0 H SER A 83 6.847 3.409 -6.374 1.00 0.00 H new ATOM 0 HA SER A 83 6.950 4.924 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.273 4.813 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.272 5.155 -4.028 1.00 0.00 H new ATOM 0 HG SER A 83 10.088 3.035 -4.501 1.00 0.00 H new ATOM 1422 N HIS A 84 7.547 7.144 -5.240 1.00 0.00 N ATOM 1423 CA HIS A 84 7.330 8.406 -5.939 1.00 0.00 C ATOM 1424 C HIS A 84 7.861 8.338 -7.368 1.00 0.00 C ATOM 1425 O HIS A 84 7.351 9.012 -8.263 1.00 0.00 O ATOM 1426 CB HIS A 84 8.005 9.553 -5.186 1.00 0.00 C ATOM 1427 CG HIS A 84 7.421 10.896 -5.493 1.00 0.00 C ATOM 1428 ND1 HIS A 84 6.826 11.199 -6.700 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.338 12.021 -4.743 1.00 0.00 C ATOM 1430 CE1 HIS A 84 6.403 12.451 -6.679 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.702 12.971 -5.504 1.00 0.00 N ATOM 0 H HIS A 84 8.136 7.217 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 84 6.256 8.589 -5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.928 9.369 -4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.067 9.563 -5.432 1.00 0.00 H new ATOM 0 HD1 HIS A 84 6.728 10.557 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.704 12.147 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.899 12.961 -7.486 1.00 0.00 H new ATOM 1440 N SER A 85 8.889 7.523 -7.577 1.00 0.00 N ATOM 1441 CA SER A 85 9.490 7.370 -8.897 1.00 0.00 C ATOM 1442 C SER A 85 8.745 6.323 -9.720 1.00 0.00 C ATOM 1443 O SER A 85 8.689 6.409 -10.947 1.00 0.00 O ATOM 1444 CB SER A 85 10.963 6.979 -8.768 1.00 0.00 C ATOM 1445 OG SER A 85 11.657 7.195 -9.985 1.00 0.00 O ATOM 0 H SER A 85 9.324 6.957 -6.848 1.00 0.00 H new ATOM 0 HA SER A 85 9.418 8.328 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.428 7.561 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.040 5.930 -8.483 1.00 0.00 H new ATOM 0 HG SER A 85 12.597 6.939 -9.876 1.00 0.00 H new ATOM 1451 N GLU A 86 8.176 5.334 -9.038 1.00 0.00 N ATOM 1452 CA GLU A 86 7.439 4.271 -9.712 1.00 0.00 C ATOM 1453 C GLU A 86 6.053 4.751 -10.131 1.00 0.00 C ATOM 1454 O GLU A 86 5.788 4.952 -11.317 1.00 0.00 O ATOM 1455 CB GLU A 86 7.315 3.048 -8.799 1.00 0.00 C ATOM 1456 CG GLU A 86 7.679 1.740 -9.482 1.00 0.00 C ATOM 1457 CD GLU A 86 6.464 0.978 -9.967 1.00 0.00 C ATOM 1458 OE1 GLU A 86 5.590 1.598 -10.609 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.383 -0.242 -9.707 1.00 0.00 O ATOM 0 H GLU A 86 8.211 5.247 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 86 7.993 3.991 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.959 3.186 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.292 2.983 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.335 1.946 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.241 1.116 -8.787 1.00 0.00 H new ATOM 1466 N LEU A 87 5.173 4.933 -9.153 1.00 0.00 N ATOM 1467 CA LEU A 87 3.813 5.390 -9.422 1.00 0.00 C ATOM 1468 C LEU A 87 3.820 6.790 -10.027 1.00 0.00 C ATOM 1469 O LEU A 87 2.970 7.125 -10.851 1.00 0.00 O ATOM 1470 CB LEU A 87 2.987 5.379 -8.137 1.00 0.00 C ATOM 1471 CG LEU A 87 2.576 3.989 -7.645 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.973 3.795 -6.189 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.080 3.778 -7.821 1.00 0.00 C ATOM 0 H LEU A 87 5.376 4.771 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 87 3.361 4.707 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.559 5.872 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.087 5.973 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 87 3.101 3.247 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.672 2.801 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.054 3.898 -6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.478 4.547 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.808 2.784 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.537 4.529 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.821 3.869 -8.876 1.00 0.00 H new ATOM 1485 N PHE A 88 4.786 7.604 -9.613 1.00 0.00 N ATOM 1486 CA PHE A 88 4.903 8.969 -10.114 1.00 0.00 C ATOM 1487 C PHE A 88 6.245 9.179 -10.805 1.00 0.00 C ATOM 1488 O PHE A 88 6.589 10.348 -11.083 1.00 0.00 O ATOM 1489 CB PHE A 88 4.741 9.970 -8.969 1.00 0.00 C ATOM 1490 CG PHE A 88 3.313 10.361 -8.709 1.00 0.00 C ATOM 1491 CD1 PHE A 88 2.547 10.939 -9.709 1.00 0.00 C ATOM 1492 CD2 PHE A 88 2.740 10.150 -7.467 1.00 0.00 C ATOM 1493 CE1 PHE A 88 1.232 11.297 -9.473 1.00 0.00 C ATOM 1494 CE2 PHE A 88 1.426 10.506 -7.224 1.00 0.00 C ATOM 1495 CZ PHE A 88 0.672 11.081 -8.228 1.00 0.00 C ATOM 1496 OXT PHE A 88 6.942 8.175 -11.061 1.00 0.00 O ATOM 0 H PHE A 88 5.499 7.342 -8.932 1.00 0.00 H new ATOM 0 HA PHE A 88 4.110 9.133 -10.843 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.163 9.541 -8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.319 10.866 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.981 11.112 -10.683 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.326 9.702 -6.678 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.644 11.745 -10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.990 10.335 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.354 11.362 -8.041 1.00 0.00 H new TER 1506 PHE A 88