USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=11 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 Set 1.1: A 59 CYS SG : rot -100:sc= -2.11! USER MOD Set 1.2: A 69 TYR OH : rot 30:sc= -0.116 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -168:sc= 0.00682 (180deg=0) USER MOD Set 2.2: A 5 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.179 (180deg=-0.923) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.0118 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.33) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.7) USER MOD Single : A 33 THR OG1 : rot 111:sc= 0.307 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.48) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 47 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.054) 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 60 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-9.7!) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0261) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -1.03 USER MOD Single : A 84 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=-0.012) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.272 -6.424 12.668 1.00 0.00 N ATOM 2 CA MET A 1 -10.533 -5.904 11.488 1.00 0.00 C ATOM 3 C MET A 1 -11.427 -5.857 10.253 1.00 0.00 C ATOM 4 O MET A 1 -12.566 -6.322 10.282 1.00 0.00 O ATOM 5 CB MET A 1 -9.322 -6.806 11.235 1.00 0.00 C ATOM 6 CG MET A 1 -8.001 -6.176 11.643 1.00 0.00 C ATOM 7 SD MET A 1 -6.583 -7.214 11.238 1.00 0.00 S ATOM 8 CE MET A 1 -6.758 -7.347 9.460 1.00 0.00 C ATOM 0 H1 MET A 1 -10.608 -6.900 13.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.731 -5.635 13.166 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.995 -7.102 12.354 1.00 0.00 H new ATOM 0 HA MET A 1 -10.205 -4.885 11.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.454 -7.740 11.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.283 -7.059 10.176 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.894 -5.212 11.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.011 -5.983 12.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.771 -7.356 8.997 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.283 -8.270 9.214 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.327 -6.496 9.086 1.00 0.00 H new ATOM 20 N LEU A 2 -10.902 -5.296 9.169 1.00 0.00 N ATOM 21 CA LEU A 2 -11.653 -5.190 7.924 1.00 0.00 C ATOM 22 C LEU A 2 -11.083 -6.125 6.863 1.00 0.00 C ATOM 23 O LEU A 2 -9.904 -6.478 6.901 1.00 0.00 O ATOM 24 CB LEU A 2 -11.635 -3.746 7.412 1.00 0.00 C ATOM 25 CG LEU A 2 -10.317 -2.999 7.623 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.175 -1.869 6.613 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.230 -2.462 9.043 1.00 0.00 C ATOM 0 H LEU A 2 -9.960 -4.908 9.128 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.683 -5.483 8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.865 -3.752 6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.432 -3.191 7.907 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.496 -3.700 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.231 -1.349 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.191 -2.279 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.001 -1.168 6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.286 -1.934 9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.058 -1.777 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.284 -3.291 9.749 1.00 0.00 H new ATOM 39 N LYS A 3 -11.928 -6.522 5.917 1.00 0.00 N ATOM 40 CA LYS A 3 -11.511 -7.418 4.845 1.00 0.00 C ATOM 41 C LYS A 3 -10.373 -6.806 4.033 1.00 0.00 C ATOM 42 O LYS A 3 -10.311 -5.589 3.856 1.00 0.00 O ATOM 43 CB LYS A 3 -12.693 -7.729 3.927 1.00 0.00 C ATOM 44 CG LYS A 3 -12.674 -9.143 3.368 1.00 0.00 C ATOM 45 CD LYS A 3 -11.972 -9.199 2.021 1.00 0.00 C ATOM 46 CE LYS A 3 -12.698 -8.361 0.980 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.327 -8.754 -0.406 1.00 0.00 N ATOM 0 H LYS A 3 -12.906 -6.237 5.871 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.154 -8.343 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.621 -7.578 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.696 -7.020 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.170 -9.807 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.696 -9.508 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.948 -8.841 2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.915 -10.233 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.774 -8.470 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.463 -7.308 1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.677 -8.039 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.292 -8.822 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.752 -9.676 -0.631 1.00 0.00 H new ATOM 61 N LEU A 4 -9.478 -7.655 3.542 1.00 0.00 N ATOM 62 CA LEU A 4 -8.344 -7.196 2.749 1.00 0.00 C ATOM 63 C LEU A 4 -8.344 -7.851 1.371 1.00 0.00 C ATOM 64 O LEU A 4 -8.853 -8.959 1.199 1.00 0.00 O ATOM 65 CB LEU A 4 -7.029 -7.501 3.468 1.00 0.00 C ATOM 66 CG LEU A 4 -5.766 -7.073 2.717 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.724 -6.536 3.686 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.205 -8.237 1.916 1.00 0.00 C ATOM 0 H LEU A 4 -9.516 -8.665 3.679 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.438 -6.117 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.041 -7.007 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.976 -8.573 3.656 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.030 -6.274 2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.833 -6.237 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.129 -5.674 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.461 -7.312 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.307 -7.916 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.956 -9.056 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.949 -8.574 1.195 1.00 0.00 H new ATOM 80 N ASN A 5 -7.772 -7.159 0.391 1.00 0.00 N ATOM 81 CA ASN A 5 -7.708 -7.674 -0.972 1.00 0.00 C ATOM 82 C ASN A 5 -6.349 -7.384 -1.601 1.00 0.00 C ATOM 83 O ASN A 5 -5.533 -6.656 -1.036 1.00 0.00 O ATOM 84 CB ASN A 5 -8.821 -7.060 -1.822 1.00 0.00 C ATOM 85 CG ASN A 5 -9.639 -8.109 -2.549 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.686 -9.268 -2.140 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.287 -7.706 -3.636 1.00 0.00 N ATOM 0 H ASN A 5 -7.346 -6.240 0.515 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.844 -8.755 -0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.478 -6.469 -1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.384 -6.376 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.852 -8.368 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.220 -6.734 -3.939 1.00 0.00 H new ATOM 94 N LEU A 6 -6.112 -7.961 -2.775 1.00 0.00 N ATOM 95 CA LEU A 6 -4.853 -7.766 -3.484 1.00 0.00 C ATOM 96 C LEU A 6 -5.069 -7.788 -4.993 1.00 0.00 C ATOM 97 O LEU A 6 -5.482 -8.801 -5.556 1.00 0.00 O ATOM 98 CB LEU A 6 -3.847 -8.849 -3.085 1.00 0.00 C ATOM 99 CG LEU A 6 -3.620 -9.000 -1.581 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.614 -9.985 -0.988 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.193 -9.447 -1.302 1.00 0.00 C ATOM 0 H LEU A 6 -6.776 -8.568 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.456 -6.790 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.188 -9.805 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.891 -8.629 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.776 -8.030 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.437 -10.080 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.629 -9.625 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.490 -10.958 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.048 -9.550 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.011 -10.406 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.496 -8.705 -1.693 1.00 0.00 H new ATOM 113 N LYS A 7 -4.787 -6.663 -5.643 1.00 0.00 N ATOM 114 CA LYS A 7 -4.951 -6.554 -7.088 1.00 0.00 C ATOM 115 C LYS A 7 -3.771 -7.189 -7.818 1.00 0.00 C ATOM 116 O LYS A 7 -2.772 -7.559 -7.201 1.00 0.00 O ATOM 117 CB LYS A 7 -5.089 -5.088 -7.498 1.00 0.00 C ATOM 118 CG LYS A 7 -6.462 -4.501 -7.212 1.00 0.00 C ATOM 119 CD LYS A 7 -7.549 -5.223 -7.989 1.00 0.00 C ATOM 120 CE LYS A 7 -8.225 -6.289 -7.142 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.535 -7.514 -7.931 1.00 0.00 N ATOM 0 H LYS A 7 -4.444 -5.815 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.859 -7.089 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.336 -4.500 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.879 -4.996 -8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.672 -4.567 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.468 -3.443 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.292 -4.503 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.118 -5.683 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.578 -6.551 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.146 -5.887 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.995 -8.216 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.173 -7.270 -8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.654 -7.913 -8.313 1.00 0.00 H new ATOM 135 N LYS A 8 -3.895 -7.313 -9.136 1.00 0.00 N ATOM 136 CA LYS A 8 -2.840 -7.903 -9.951 1.00 0.00 C ATOM 137 C LYS A 8 -1.549 -7.098 -9.838 1.00 0.00 C ATOM 138 O LYS A 8 -0.452 -7.650 -9.933 1.00 0.00 O ATOM 139 CB LYS A 8 -3.280 -7.978 -11.415 1.00 0.00 C ATOM 140 CG LYS A 8 -2.398 -8.873 -12.270 1.00 0.00 C ATOM 141 CD LYS A 8 -3.213 -9.638 -13.301 1.00 0.00 C ATOM 142 CE LYS A 8 -3.165 -8.961 -14.661 1.00 0.00 C ATOM 143 NZ LYS A 8 -3.425 -9.922 -15.769 1.00 0.00 N ATOM 0 H LYS A 8 -4.716 -7.013 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.652 -8.911 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.306 -8.344 -11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.281 -6.973 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.646 -8.268 -12.776 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.864 -9.577 -11.631 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.832 -10.656 -13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.248 -9.712 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.904 -8.160 -14.694 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.188 -8.499 -14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.384 -9.421 -16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.705 -10.673 -15.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.368 -10.344 -15.649 1.00 0.00 H new ATOM 157 N SER A 9 -1.686 -5.792 -9.635 1.00 0.00 N ATOM 158 CA SER A 9 -0.529 -4.913 -9.509 1.00 0.00 C ATOM 159 C SER A 9 0.168 -5.120 -8.167 1.00 0.00 C ATOM 160 O SER A 9 1.383 -5.306 -8.112 1.00 0.00 O ATOM 161 CB SER A 9 -0.956 -3.451 -9.656 1.00 0.00 C ATOM 162 OG SER A 9 -0.830 -3.014 -10.999 1.00 0.00 O ATOM 0 H SER A 9 -2.586 -5.319 -9.554 1.00 0.00 H new ATOM 0 HA SER A 9 0.174 -5.161 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.989 -3.336 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.345 -2.824 -9.007 1.00 0.00 H new ATOM 0 HG SER A 9 -1.111 -2.077 -11.066 1.00 0.00 H new ATOM 168 N PHE A 10 -0.609 -5.086 -7.091 1.00 0.00 N ATOM 169 CA PHE A 10 -0.068 -5.270 -5.749 1.00 0.00 C ATOM 170 C PHE A 10 0.605 -6.633 -5.618 1.00 0.00 C ATOM 171 O PHE A 10 1.613 -6.775 -4.926 1.00 0.00 O ATOM 172 CB PHE A 10 -1.177 -5.132 -4.706 1.00 0.00 C ATOM 173 CG PHE A 10 -0.668 -5.028 -3.297 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.244 -3.811 -2.788 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.611 -6.147 -2.481 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.225 -3.711 -1.492 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.142 -6.053 -1.185 1.00 0.00 C ATOM 178 CZ PHE A 10 0.276 -4.833 -0.689 1.00 0.00 C ATOM 0 H PHE A 10 -1.617 -4.933 -7.121 1.00 0.00 H new ATOM 0 HA PHE A 10 0.680 -4.497 -5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.771 -4.247 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.843 -5.992 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.281 -2.930 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.937 -7.103 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.551 -2.756 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.102 -6.933 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.642 -4.757 0.324 1.00 0.00 H new ATOM 188 N GLN A 11 0.038 -7.634 -6.284 1.00 0.00 N ATOM 189 CA GLN A 11 0.582 -8.986 -6.242 1.00 0.00 C ATOM 190 C GLN A 11 1.979 -9.031 -6.852 1.00 0.00 C ATOM 191 O GLN A 11 2.852 -9.756 -6.373 1.00 0.00 O ATOM 192 CB GLN A 11 -0.343 -9.954 -6.982 1.00 0.00 C ATOM 193 CG GLN A 11 -1.674 -10.177 -6.282 1.00 0.00 C ATOM 194 CD GLN A 11 -2.730 -10.751 -7.207 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.488 -11.730 -7.912 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.909 -10.140 -7.208 1.00 0.00 N ATOM 0 H GLN A 11 -0.798 -7.534 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 11 0.653 -9.289 -5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.529 -9.571 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.164 -10.912 -7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.528 -10.853 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.029 -9.231 -5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.065 -9.331 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.659 -10.480 -7.810 1.00 0.00 H new ATOM 205 N LYS A 12 2.184 -8.253 -7.910 1.00 0.00 N ATOM 206 CA LYS A 12 3.477 -8.206 -8.583 1.00 0.00 C ATOM 207 C LYS A 12 4.382 -7.140 -7.963 1.00 0.00 C ATOM 208 O LYS A 12 5.606 -7.201 -8.077 1.00 0.00 O ATOM 209 CB LYS A 12 3.287 -7.923 -10.075 1.00 0.00 C ATOM 210 CG LYS A 12 2.320 -8.879 -10.757 1.00 0.00 C ATOM 211 CD LYS A 12 3.056 -9.941 -11.558 1.00 0.00 C ATOM 212 CE LYS A 12 2.246 -11.224 -11.662 1.00 0.00 C ATOM 213 NZ LYS A 12 2.243 -11.768 -13.049 1.00 0.00 N ATOM 0 H LYS A 12 1.473 -7.647 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 12 3.956 -9.177 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.925 -6.903 -10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.255 -7.981 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.691 -9.359 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.658 -8.319 -11.417 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.268 -9.562 -12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.016 -10.153 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.657 -11.969 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.221 -11.033 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.680 -12.642 -13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.828 -11.067 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.219 -11.975 -13.343 1.00 0.00 H new ATOM 227 N ASP A 13 3.769 -6.164 -7.310 1.00 0.00 N ATOM 228 CA ASP A 13 4.510 -5.083 -6.668 1.00 0.00 C ATOM 229 C ASP A 13 4.839 -5.424 -5.217 1.00 0.00 C ATOM 230 O ASP A 13 5.618 -4.726 -4.568 1.00 0.00 O ATOM 231 CB ASP A 13 3.704 -3.782 -6.728 1.00 0.00 C ATOM 232 CG ASP A 13 3.933 -3.020 -8.019 1.00 0.00 C ATOM 233 OD1 ASP A 13 5.069 -2.555 -8.241 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.973 -2.889 -8.808 1.00 0.00 O ATOM 0 H ASP A 13 2.756 -6.096 -7.209 1.00 0.00 H new ATOM 0 HA ASP A 13 5.448 -4.952 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.643 -4.010 -6.627 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.976 -3.150 -5.883 1.00 0.00 H new ATOM 239 N PHE A 14 4.231 -6.490 -4.707 1.00 0.00 N ATOM 240 CA PHE A 14 4.453 -6.914 -3.332 1.00 0.00 C ATOM 241 C PHE A 14 5.601 -7.910 -3.237 1.00 0.00 C ATOM 242 O PHE A 14 6.639 -7.618 -2.656 1.00 0.00 O ATOM 243 CB PHE A 14 3.178 -7.532 -2.753 1.00 0.00 C ATOM 244 CG PHE A 14 3.310 -7.943 -1.315 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.777 -7.048 -0.365 1.00 0.00 C ATOM 246 CD2 PHE A 14 2.966 -9.223 -0.912 1.00 0.00 C ATOM 247 CE1 PHE A 14 3.900 -7.423 0.959 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.087 -9.604 0.411 1.00 0.00 C ATOM 249 CZ PHE A 14 3.554 -8.702 1.348 1.00 0.00 C ATOM 0 H PHE A 14 3.579 -7.077 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 14 4.720 -6.031 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.363 -6.815 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.904 -8.403 -3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.048 -6.046 -0.663 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.599 -9.931 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.266 -6.717 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.817 -10.605 0.712 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.648 -8.997 2.383 1.00 0.00 H new ATOM 259 N ASP A 15 5.394 -9.097 -3.796 1.00 0.00 N ATOM 260 CA ASP A 15 6.403 -10.149 -3.762 1.00 0.00 C ATOM 261 C ASP A 15 7.324 -10.103 -4.976 1.00 0.00 C ATOM 262 O ASP A 15 8.503 -10.444 -4.878 1.00 0.00 O ATOM 263 CB ASP A 15 5.729 -11.520 -3.676 1.00 0.00 C ATOM 264 CG ASP A 15 4.768 -11.619 -2.509 1.00 0.00 C ATOM 265 OD1 ASP A 15 5.125 -11.159 -1.404 1.00 0.00 O ATOM 266 OD2 ASP A 15 3.655 -12.157 -2.699 1.00 0.00 O ATOM 0 H ASP A 15 4.534 -9.355 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 15 7.016 -9.982 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.191 -11.716 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.493 -12.292 -3.581 1.00 0.00 H new ATOM 271 N LYS A 16 6.789 -9.696 -6.128 1.00 0.00 N ATOM 272 CA LYS A 16 7.593 -9.638 -7.345 1.00 0.00 C ATOM 273 C LYS A 16 8.510 -8.421 -7.341 1.00 0.00 C ATOM 274 O LYS A 16 9.574 -8.434 -7.959 1.00 0.00 O ATOM 275 CB LYS A 16 6.697 -9.626 -8.584 1.00 0.00 C ATOM 276 CG LYS A 16 6.552 -10.986 -9.246 1.00 0.00 C ATOM 277 CD LYS A 16 7.873 -11.478 -9.814 1.00 0.00 C ATOM 278 CE LYS A 16 7.946 -12.998 -9.817 1.00 0.00 C ATOM 279 NZ LYS A 16 9.186 -13.494 -10.472 1.00 0.00 N ATOM 0 H LYS A 16 5.818 -9.406 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 16 8.216 -10.532 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.709 -9.261 -8.303 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.103 -8.920 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.177 -11.707 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.813 -10.925 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.995 -11.105 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.697 -11.074 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.906 -13.365 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.076 -13.402 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.197 -14.534 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.213 -13.166 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.017 -13.130 -9.963 1.00 0.00 H new ATOM 293 N LEU A 17 8.104 -7.375 -6.628 1.00 0.00 N ATOM 294 CA LEU A 17 8.904 -6.168 -6.537 1.00 0.00 C ATOM 295 C LEU A 17 10.129 -6.425 -5.674 1.00 0.00 C ATOM 296 O LEU A 17 11.197 -5.857 -5.904 1.00 0.00 O ATOM 297 CB LEU A 17 8.075 -5.030 -5.942 1.00 0.00 C ATOM 298 CG LEU A 17 8.866 -3.780 -5.569 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.346 -3.058 -6.816 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.023 -2.856 -4.703 1.00 0.00 C ATOM 0 H LEU A 17 7.227 -7.343 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 17 9.226 -5.881 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.302 -4.752 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.567 -5.399 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 17 9.741 -4.085 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.908 -2.169 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.988 -3.721 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.487 -2.765 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.602 -1.969 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.129 -2.559 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.733 -3.377 -3.791 1.00 0.00 H new ATOM 312 N LEU A 18 9.967 -7.290 -4.676 1.00 0.00 N ATOM 313 CA LEU A 18 11.066 -7.624 -3.775 1.00 0.00 C ATOM 314 C LEU A 18 12.262 -8.165 -4.555 1.00 0.00 C ATOM 315 O LEU A 18 13.413 -7.944 -4.177 1.00 0.00 O ATOM 316 CB LEU A 18 10.619 -8.653 -2.731 1.00 0.00 C ATOM 317 CG LEU A 18 9.760 -8.110 -1.580 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.088 -6.798 -1.964 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.725 -9.143 -1.157 1.00 0.00 C ATOM 0 H LEU A 18 9.090 -7.770 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 18 11.366 -6.710 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.058 -9.437 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.507 -9.121 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 18 10.417 -7.910 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.487 -6.439 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.849 -6.057 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.446 -6.958 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.124 -8.743 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.078 -9.377 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.231 -10.050 -0.825 1.00 0.00 H new ATOM 331 N LEU A 19 11.979 -8.876 -5.642 1.00 0.00 N ATOM 332 CA LEU A 19 13.032 -9.448 -6.477 1.00 0.00 C ATOM 333 C LEU A 19 13.461 -8.478 -7.579 1.00 0.00 C ATOM 334 O LEU A 19 14.381 -8.770 -8.345 1.00 0.00 O ATOM 335 CB LEU A 19 12.556 -10.766 -7.094 1.00 0.00 C ATOM 336 CG LEU A 19 13.023 -12.028 -6.367 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.197 -13.229 -6.797 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.502 -12.274 -6.626 1.00 0.00 C ATOM 0 H LEU A 19 11.031 -9.070 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 19 13.897 -9.638 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.466 -10.764 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.901 -10.811 -8.127 1.00 0.00 H new ATOM 0 HG LEU A 19 12.881 -11.882 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.544 -14.117 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.148 -13.053 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.306 -13.380 -7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.818 -13.176 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.668 -12.399 -7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 19 15.081 -11.423 -6.266 1.00 0.00 H new ATOM 350 N ASN A 20 12.793 -7.329 -7.660 1.00 0.00 N ATOM 351 CA ASN A 20 13.115 -6.332 -8.674 1.00 0.00 C ATOM 352 C ASN A 20 14.023 -5.244 -8.103 1.00 0.00 C ATOM 353 O ASN A 20 14.021 -4.110 -8.581 1.00 0.00 O ATOM 354 CB ASN A 20 11.833 -5.706 -9.230 1.00 0.00 C ATOM 355 CG ASN A 20 11.572 -6.105 -10.669 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.803 -5.326 -11.594 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.087 -7.326 -10.866 1.00 0.00 N ATOM 0 H ASN A 20 12.029 -7.068 -7.037 1.00 0.00 H new ATOM 0 HA ASN A 20 13.646 -6.833 -9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.987 -6.008 -8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.904 -4.620 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.891 -7.650 -11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.910 -7.939 -10.070 1.00 0.00 H new ATOM 364 N GLY A 21 14.796 -5.598 -7.082 1.00 0.00 N ATOM 365 CA GLY A 21 15.698 -4.640 -6.470 1.00 0.00 C ATOM 366 C GLY A 21 15.082 -3.931 -5.279 1.00 0.00 C ATOM 367 O GLY A 21 15.510 -2.838 -4.912 1.00 0.00 O ATOM 0 H GLY A 21 14.814 -6.530 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.605 -5.154 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.995 -3.901 -7.214 1.00 0.00 H new ATOM 371 N PHE A 22 14.078 -4.554 -4.668 1.00 0.00 N ATOM 372 CA PHE A 22 13.411 -3.972 -3.509 1.00 0.00 C ATOM 373 C PHE A 22 13.737 -4.761 -2.243 1.00 0.00 C ATOM 374 O PHE A 22 13.872 -5.984 -2.279 1.00 0.00 O ATOM 375 CB PHE A 22 11.895 -3.928 -3.730 1.00 0.00 C ATOM 376 CG PHE A 22 11.136 -3.351 -2.570 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.968 -4.079 -1.403 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.593 -2.078 -2.646 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.271 -3.549 -0.334 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.897 -1.542 -1.580 1.00 0.00 C ATOM 381 CZ PHE A 22 9.735 -2.279 -0.422 1.00 0.00 C ATOM 0 H PHE A 22 13.709 -5.460 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 22 13.777 -2.953 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.683 -3.338 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.535 -4.938 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.387 -5.072 -1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.715 -1.498 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.145 -4.127 0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.480 -0.548 -1.651 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.190 -1.863 0.413 1.00 0.00 H new ATOM 391 N ASP A 23 13.864 -4.051 -1.126 1.00 0.00 N ATOM 392 CA ASP A 23 14.178 -4.683 0.153 1.00 0.00 C ATOM 393 C ASP A 23 12.919 -4.867 0.996 1.00 0.00 C ATOM 394 O ASP A 23 12.309 -3.895 1.439 1.00 0.00 O ATOM 395 CB ASP A 23 15.203 -3.847 0.921 1.00 0.00 C ATOM 396 CG ASP A 23 16.132 -4.700 1.763 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.686 -5.759 2.252 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.305 -4.307 1.934 1.00 0.00 O ATOM 0 H ASP A 23 13.755 -3.038 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 23 14.601 -5.666 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.792 -3.261 0.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.681 -3.139 1.565 1.00 0.00 H new ATOM 403 N ASP A 24 12.539 -6.123 1.214 1.00 0.00 N ATOM 404 CA ASP A 24 11.354 -6.440 2.003 1.00 0.00 C ATOM 405 C ASP A 24 11.450 -5.858 3.413 1.00 0.00 C ATOM 406 O ASP A 24 10.436 -5.681 4.089 1.00 0.00 O ATOM 407 CB ASP A 24 11.162 -7.956 2.081 1.00 0.00 C ATOM 408 CG ASP A 24 12.320 -8.651 2.773 1.00 0.00 C ATOM 409 OD1 ASP A 24 12.566 -8.353 3.959 1.00 0.00 O ATOM 410 OD2 ASP A 24 12.979 -9.492 2.127 1.00 0.00 O ATOM 0 H ASP A 24 13.036 -6.938 0.855 1.00 0.00 H new ATOM 0 HA ASP A 24 10.494 -5.990 1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.238 -8.175 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.050 -8.358 1.074 1.00 0.00 H new ATOM 415 N SER A 25 12.672 -5.566 3.853 1.00 0.00 N ATOM 416 CA SER A 25 12.895 -5.009 5.186 1.00 0.00 C ATOM 417 C SER A 25 11.989 -3.808 5.441 1.00 0.00 C ATOM 418 O SER A 25 11.255 -3.771 6.429 1.00 0.00 O ATOM 419 CB SER A 25 14.359 -4.600 5.350 1.00 0.00 C ATOM 420 OG SER A 25 15.142 -5.681 5.823 1.00 0.00 O ATOM 0 H SER A 25 13.522 -5.705 3.307 1.00 0.00 H new ATOM 0 HA SER A 25 12.653 -5.781 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.752 -4.254 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.430 -3.764 6.046 1.00 0.00 H new ATOM 0 HG SER A 25 16.074 -5.393 5.917 1.00 0.00 H new ATOM 426 N VAL A 26 12.046 -2.827 4.547 1.00 0.00 N ATOM 427 CA VAL A 26 11.232 -1.625 4.678 1.00 0.00 C ATOM 428 C VAL A 26 9.754 -1.936 4.470 1.00 0.00 C ATOM 429 O VAL A 26 8.886 -1.335 5.100 1.00 0.00 O ATOM 430 CB VAL A 26 11.662 -0.543 3.670 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.945 0.767 3.952 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.171 -0.353 3.703 1.00 0.00 C ATOM 0 H VAL A 26 12.648 -2.841 3.724 1.00 0.00 H new ATOM 0 HA VAL A 26 11.383 -1.250 5.690 1.00 0.00 H new ATOM 0 HB VAL A 26 11.382 -0.873 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.262 1.518 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.868 0.617 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.189 1.106 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.457 0.415 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.477 -0.046 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.662 -1.292 3.445 1.00 0.00 H new ATOM 442 N LEU A 27 9.478 -2.883 3.579 1.00 0.00 N ATOM 443 CA LEU A 27 8.108 -3.280 3.284 1.00 0.00 C ATOM 444 C LEU A 27 7.460 -3.931 4.504 1.00 0.00 C ATOM 445 O LEU A 27 6.257 -3.796 4.727 1.00 0.00 O ATOM 446 CB LEU A 27 8.092 -4.238 2.085 1.00 0.00 C ATOM 447 CG LEU A 27 6.907 -5.204 2.021 1.00 0.00 C ATOM 448 CD1 LEU A 27 5.618 -4.452 1.732 1.00 0.00 C ATOM 449 CD2 LEU A 27 7.148 -6.273 0.968 1.00 0.00 C ATOM 0 H LEU A 27 10.187 -3.390 3.049 1.00 0.00 H new ATOM 0 HA LEU A 27 7.530 -2.391 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.103 -3.645 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.012 -4.822 2.098 1.00 0.00 H new ATOM 0 HG LEU A 27 6.809 -5.691 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.787 -5.156 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.437 -3.723 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.704 -3.936 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.295 -6.951 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.273 -5.802 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.048 -6.834 1.218 1.00 0.00 H new ATOM 461 N ASN A 28 8.265 -4.642 5.287 1.00 0.00 N ATOM 462 CA ASN A 28 7.770 -5.318 6.482 1.00 0.00 C ATOM 463 C ASN A 28 7.092 -4.334 7.429 1.00 0.00 C ATOM 464 O ASN A 28 5.921 -4.494 7.771 1.00 0.00 O ATOM 465 CB ASN A 28 8.917 -6.029 7.201 1.00 0.00 C ATOM 466 CG ASN A 28 8.510 -7.388 7.737 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.334 -7.636 8.003 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.485 -8.275 7.899 1.00 0.00 N ATOM 0 H ASN A 28 9.263 -4.765 5.116 1.00 0.00 H new ATOM 0 HA ASN A 28 7.031 -6.056 6.170 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.754 -6.149 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.267 -5.407 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.273 -9.206 8.257 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.446 -8.025 7.665 1.00 0.00 H new ATOM 475 N GLU A 29 7.836 -3.315 7.851 1.00 0.00 N ATOM 476 CA GLU A 29 7.309 -2.303 8.763 1.00 0.00 C ATOM 477 C GLU A 29 5.977 -1.744 8.268 1.00 0.00 C ATOM 478 O GLU A 29 5.163 -1.266 9.058 1.00 0.00 O ATOM 479 CB GLU A 29 8.320 -1.167 8.929 1.00 0.00 C ATOM 480 CG GLU A 29 9.517 -1.540 9.789 1.00 0.00 C ATOM 481 CD GLU A 29 9.919 -0.430 10.741 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.684 0.465 10.323 1.00 0.00 O ATOM 483 OE2 GLU A 29 9.468 -0.456 11.906 1.00 0.00 O ATOM 0 H GLU A 29 8.807 -3.168 7.576 1.00 0.00 H new ATOM 0 HA GLU A 29 7.137 -2.781 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.672 -0.858 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.818 -0.307 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.283 -2.438 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.361 -1.784 9.144 1.00 0.00 H new ATOM 490 N VAL A 30 5.761 -1.803 6.958 1.00 0.00 N ATOM 491 CA VAL A 30 4.531 -1.299 6.361 1.00 0.00 C ATOM 492 C VAL A 30 3.391 -2.308 6.487 1.00 0.00 C ATOM 493 O VAL A 30 2.419 -2.077 7.205 1.00 0.00 O ATOM 494 CB VAL A 30 4.735 -0.960 4.872 1.00 0.00 C ATOM 495 CG1 VAL A 30 3.461 -0.393 4.266 1.00 0.00 C ATOM 496 CG2 VAL A 30 5.894 0.011 4.700 1.00 0.00 C ATOM 0 H VAL A 30 6.423 -2.196 6.289 1.00 0.00 H new ATOM 0 HA VAL A 30 4.266 -0.394 6.907 1.00 0.00 H new ATOM 0 HB VAL A 30 4.978 -1.881 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.630 -0.161 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.659 -1.127 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.179 0.516 4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.024 0.239 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.683 0.930 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.807 -0.440 5.088 1.00 0.00 H new ATOM 506 N ILE A 31 3.517 -3.419 5.772 1.00 0.00 N ATOM 507 CA ILE A 31 2.501 -4.465 5.780 1.00 0.00 C ATOM 508 C ILE A 31 2.129 -4.888 7.206 1.00 0.00 C ATOM 509 O ILE A 31 0.950 -5.020 7.532 1.00 0.00 O ATOM 510 CB ILE A 31 2.974 -5.694 4.957 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.261 -5.728 3.604 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.746 -7.001 5.709 1.00 0.00 C ATOM 513 CD1 ILE A 31 2.408 -4.449 2.808 1.00 0.00 C ATOM 0 H ILE A 31 4.319 -3.620 5.175 1.00 0.00 H new ATOM 0 HA ILE A 31 1.606 -4.052 5.315 1.00 0.00 H new ATOM 0 HB ILE A 31 4.047 -5.592 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.653 -6.558 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.201 -5.925 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.090 -7.836 5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.302 -6.983 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.683 -7.119 5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.877 -4.547 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.989 -3.617 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.464 -4.261 2.614 1.00 0.00 H new ATOM 525 N LEU A 32 3.136 -5.108 8.045 1.00 0.00 N ATOM 526 CA LEU A 32 2.899 -5.524 9.425 1.00 0.00 C ATOM 527 C LEU A 32 1.989 -4.534 10.156 1.00 0.00 C ATOM 528 O LEU A 32 1.320 -4.894 11.124 1.00 0.00 O ATOM 529 CB LEU A 32 4.235 -5.693 10.168 1.00 0.00 C ATOM 530 CG LEU A 32 4.489 -4.725 11.331 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.732 -5.138 12.105 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.625 -3.296 10.819 1.00 0.00 C ATOM 0 H LEU A 32 4.120 -5.006 7.796 1.00 0.00 H new ATOM 0 HA LEU A 32 2.388 -6.487 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.287 -6.712 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.045 -5.582 9.447 1.00 0.00 H new ATOM 0 HG LEU A 32 3.634 -4.766 12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.898 -4.441 12.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.595 -6.143 12.504 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.595 -5.127 11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.805 -2.624 11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.461 -3.237 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.707 -3.003 10.310 1.00 0.00 H new ATOM 544 N THR A 33 1.971 -3.288 9.689 1.00 0.00 N ATOM 545 CA THR A 33 1.143 -2.256 10.306 1.00 0.00 C ATOM 546 C THR A 33 -0.298 -2.337 9.806 1.00 0.00 C ATOM 547 O THR A 33 -1.233 -1.989 10.527 1.00 0.00 O ATOM 548 CB THR A 33 1.718 -0.870 10.011 1.00 0.00 C ATOM 549 OG1 THR A 33 3.090 -0.811 10.356 1.00 0.00 O ATOM 550 CG2 THR A 33 1.009 0.242 10.755 1.00 0.00 C ATOM 0 H THR A 33 2.518 -2.970 8.889 1.00 0.00 H new ATOM 0 HA THR A 33 1.143 -2.423 11.383 1.00 0.00 H new ATOM 0 HB THR A 33 1.574 -0.720 8.941 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.630 -0.744 9.541 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.466 1.199 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.043 0.256 10.472 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.094 0.073 11.829 1.00 0.00 H new ATOM 558 N LEU A 34 -0.467 -2.789 8.569 1.00 0.00 N ATOM 559 CA LEU A 34 -1.794 -2.906 7.973 1.00 0.00 C ATOM 560 C LEU A 34 -2.407 -4.276 8.241 1.00 0.00 C ATOM 561 O LEU A 34 -3.628 -4.420 8.299 1.00 0.00 O ATOM 562 CB LEU A 34 -1.717 -2.659 6.465 1.00 0.00 C ATOM 563 CG LEU A 34 -0.893 -1.440 6.048 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.246 -1.673 4.692 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.763 -0.193 6.019 1.00 0.00 C ATOM 0 H LEU A 34 0.297 -3.080 7.959 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.433 -2.153 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.294 -3.544 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.730 -2.543 6.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.103 -1.290 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.336 -0.795 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.410 -2.542 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.020 -1.849 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.160 0.664 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.575 -0.332 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.179 -0.016 7.011 1.00 0.00 H new ATOM 577 N ARG A 35 -1.554 -5.286 8.396 1.00 0.00 N ATOM 578 CA ARG A 35 -2.022 -6.645 8.647 1.00 0.00 C ATOM 579 C ARG A 35 -2.069 -6.959 10.141 1.00 0.00 C ATOM 580 O ARG A 35 -2.079 -8.126 10.535 1.00 0.00 O ATOM 581 CB ARG A 35 -1.124 -7.654 7.931 1.00 0.00 C ATOM 582 CG ARG A 35 -0.918 -7.343 6.456 1.00 0.00 C ATOM 583 CD ARG A 35 -0.487 -8.576 5.677 1.00 0.00 C ATOM 584 NE ARG A 35 0.546 -9.341 6.377 1.00 0.00 N ATOM 585 CZ ARG A 35 0.295 -10.381 7.171 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.951 -10.788 7.380 1.00 0.00 N ATOM 587 NH2 ARG A 35 1.300 -11.017 7.760 1.00 0.00 N ATOM 0 H ARG A 35 -0.540 -5.189 8.352 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.037 -6.721 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.154 -7.681 8.427 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.560 -8.649 8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.843 -6.951 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.164 -6.563 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.353 -9.214 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.112 -8.273 4.699 1.00 0.00 H new ATOM 0 HE ARG A 35 1.518 -9.061 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.728 -10.303 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.132 -11.585 7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.260 -10.709 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.113 -11.814 8.369 1.00 0.00 H new ATOM 601 N LYS A 36 -2.101 -5.919 10.970 1.00 0.00 N ATOM 602 CA LYS A 36 -2.152 -6.108 12.417 1.00 0.00 C ATOM 603 C LYS A 36 -3.431 -5.514 13.000 1.00 0.00 C ATOM 604 O LYS A 36 -4.200 -6.212 13.660 1.00 0.00 O ATOM 605 CB LYS A 36 -0.928 -5.468 13.079 1.00 0.00 C ATOM 606 CG LYS A 36 0.163 -6.463 13.434 1.00 0.00 C ATOM 607 CD LYS A 36 0.879 -6.072 14.715 1.00 0.00 C ATOM 608 CE LYS A 36 2.378 -6.306 14.613 1.00 0.00 C ATOM 609 NZ LYS A 36 3.156 -5.250 15.315 1.00 0.00 N ATOM 0 H LYS A 36 -2.093 -4.945 10.668 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.147 -7.179 12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.516 -4.714 12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.245 -4.951 13.985 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.272 -7.456 13.548 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.883 -6.522 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.688 -5.021 14.933 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.476 -6.648 15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.623 -7.279 15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.670 -6.334 13.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.173 -5.447 15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.943 -4.324 14.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.897 -5.240 16.322 1.00 0.00 H new ATOM 623 N LYS A 37 -3.652 -4.223 12.735 1.00 0.00 N ATOM 624 CA LYS A 37 -4.842 -3.508 13.215 1.00 0.00 C ATOM 625 C LYS A 37 -4.581 -2.003 13.295 1.00 0.00 C ATOM 626 O LYS A 37 -5.517 -1.205 13.309 1.00 0.00 O ATOM 627 CB LYS A 37 -5.283 -4.013 14.594 1.00 0.00 C ATOM 628 CG LYS A 37 -4.139 -4.178 15.581 1.00 0.00 C ATOM 629 CD LYS A 37 -4.555 -3.783 16.990 1.00 0.00 C ATOM 630 CE LYS A 37 -3.371 -3.785 17.942 1.00 0.00 C ATOM 631 NZ LYS A 37 -3.627 -2.949 19.147 1.00 0.00 N ATOM 0 H LYS A 37 -3.016 -3.645 12.185 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.639 -3.701 12.497 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.012 -3.317 15.010 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.789 -4.971 14.475 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.801 -5.214 15.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.294 -3.566 15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.007 -2.791 16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.316 -4.474 17.353 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.154 -4.808 18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.487 -3.413 17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.796 -2.976 19.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.809 -1.967 18.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.455 -3.319 19.656 1.00 0.00 H new ATOM 645 N GLU A 38 -3.307 -1.621 13.352 1.00 0.00 N ATOM 646 CA GLU A 38 -2.933 -0.214 13.436 1.00 0.00 C ATOM 647 C GLU A 38 -3.458 0.564 12.230 1.00 0.00 C ATOM 648 O GLU A 38 -2.992 0.370 11.108 1.00 0.00 O ATOM 649 CB GLU A 38 -1.412 -0.075 13.520 1.00 0.00 C ATOM 650 CG GLU A 38 -0.955 1.117 14.344 1.00 0.00 C ATOM 651 CD GLU A 38 0.491 1.003 14.783 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.848 -0.031 15.387 1.00 0.00 O ATOM 653 OE2 GLU A 38 1.267 1.948 14.526 1.00 0.00 O ATOM 0 H GLU A 38 -2.518 -2.267 13.341 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.382 0.202 14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.996 -0.985 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.007 0.014 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.082 2.028 13.759 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.591 1.211 15.224 1.00 0.00 H new ATOM 660 N PRO A 39 -4.436 1.466 12.444 1.00 0.00 N ATOM 661 CA PRO A 39 -5.011 2.271 11.363 1.00 0.00 C ATOM 662 C PRO A 39 -4.027 3.306 10.831 1.00 0.00 C ATOM 663 O PRO A 39 -3.070 3.676 11.512 1.00 0.00 O ATOM 664 CB PRO A 39 -6.206 2.960 12.026 1.00 0.00 C ATOM 665 CG PRO A 39 -5.859 3.011 13.474 1.00 0.00 C ATOM 666 CD PRO A 39 -5.053 1.770 13.749 1.00 0.00 C ATOM 0 HA PRO A 39 -5.281 1.662 10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.361 3.960 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.127 2.402 11.859 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.286 3.908 13.707 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.758 3.038 14.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.301 1.942 14.519 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.683 0.951 14.096 1.00 0.00 H new ATOM 674 N LEU A 40 -4.265 3.771 9.609 1.00 0.00 N ATOM 675 CA LEU A 40 -3.397 4.764 8.987 1.00 0.00 C ATOM 676 C LEU A 40 -3.759 6.171 9.452 1.00 0.00 C ATOM 677 O LEU A 40 -4.857 6.659 9.189 1.00 0.00 O ATOM 678 CB LEU A 40 -3.497 4.674 7.464 1.00 0.00 C ATOM 679 CG LEU A 40 -3.255 3.280 6.882 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.875 3.163 5.499 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.764 2.976 6.830 1.00 0.00 C ATOM 0 H LEU A 40 -5.051 3.476 9.030 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.371 4.555 9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.488 5.012 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.776 5.364 7.026 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.732 2.547 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.692 2.165 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.949 3.336 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.429 3.904 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.610 1.981 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.264 3.713 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.349 3.016 7.837 1.00 0.00 H new ATOM 693 N ASP A 41 -2.827 6.816 10.146 1.00 0.00 N ATOM 694 CA ASP A 41 -3.047 8.166 10.652 1.00 0.00 C ATOM 695 C ASP A 41 -3.261 9.151 9.505 1.00 0.00 C ATOM 696 O ASP A 41 -2.861 8.892 8.370 1.00 0.00 O ATOM 697 CB ASP A 41 -1.858 8.611 11.506 1.00 0.00 C ATOM 698 CG ASP A 41 -1.878 7.995 12.891 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.958 7.540 13.322 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.814 7.965 13.543 1.00 0.00 O ATOM 0 H ASP A 41 -1.912 6.425 10.371 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.946 8.154 11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.930 8.337 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.864 9.697 11.594 1.00 0.00 H new ATOM 705 N PRO A 42 -3.900 10.299 9.789 1.00 0.00 N ATOM 706 CA PRO A 42 -4.168 11.326 8.777 1.00 0.00 C ATOM 707 C PRO A 42 -2.896 12.031 8.308 1.00 0.00 C ATOM 708 O PRO A 42 -2.915 12.766 7.320 1.00 0.00 O ATOM 709 CB PRO A 42 -5.087 12.311 9.502 1.00 0.00 C ATOM 710 CG PRO A 42 -4.765 12.137 10.946 1.00 0.00 C ATOM 711 CD PRO A 42 -4.411 10.686 11.118 1.00 0.00 C ATOM 0 HA PRO A 42 -4.605 10.899 7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.905 13.335 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.136 12.094 9.301 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.935 12.779 11.241 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.616 12.408 11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.659 10.545 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.279 10.092 11.403 1.00 0.00 H new ATOM 719 N GLN A 43 -1.794 11.803 9.018 1.00 0.00 N ATOM 720 CA GLN A 43 -0.521 12.421 8.666 1.00 0.00 C ATOM 721 C GLN A 43 0.303 11.510 7.757 1.00 0.00 C ATOM 722 O GLN A 43 1.510 11.700 7.606 1.00 0.00 O ATOM 723 CB GLN A 43 0.273 12.756 9.930 1.00 0.00 C ATOM 724 CG GLN A 43 0.710 11.530 10.718 1.00 0.00 C ATOM 725 CD GLN A 43 2.178 11.205 10.528 1.00 0.00 C ATOM 726 OE1 GLN A 43 3.040 11.745 11.221 1.00 0.00 O ATOM 727 NE2 GLN A 43 2.471 10.322 9.581 1.00 0.00 N ATOM 0 H GLN A 43 -1.758 11.197 9.838 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.734 13.342 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.155 13.333 9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.335 13.393 10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.513 11.695 11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.110 10.673 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.724 9.899 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.443 10.067 9.405 1.00 0.00 H new ATOM 736 N PHE A 44 -0.353 10.522 7.152 1.00 0.00 N ATOM 737 CA PHE A 44 0.326 9.591 6.260 1.00 0.00 C ATOM 738 C PHE A 44 0.141 9.991 4.796 1.00 0.00 C ATOM 739 O PHE A 44 0.539 9.259 3.890 1.00 0.00 O ATOM 740 CB PHE A 44 -0.199 8.169 6.480 1.00 0.00 C ATOM 741 CG PHE A 44 0.502 7.434 7.586 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.714 6.804 7.357 1.00 0.00 C ATOM 743 CD2 PHE A 44 -0.052 7.374 8.855 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.361 6.125 8.374 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.590 6.698 9.875 1.00 0.00 C ATOM 746 CZ PHE A 44 1.797 6.073 9.634 1.00 0.00 C ATOM 0 H PHE A 44 -1.352 10.347 7.264 1.00 0.00 H new ATOM 0 HA PHE A 44 1.391 9.623 6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.265 8.215 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.092 7.604 5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.159 6.843 6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.996 7.861 9.049 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.305 5.637 8.183 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.148 6.659 10.860 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.300 5.544 10.430 1.00 0.00 H new ATOM 756 N GLN A 45 -0.464 11.156 4.568 1.00 0.00 N ATOM 757 CA GLN A 45 -0.696 11.645 3.213 1.00 0.00 C ATOM 758 C GLN A 45 -1.661 10.732 2.463 1.00 0.00 C ATOM 759 O GLN A 45 -1.463 10.436 1.284 1.00 0.00 O ATOM 760 CB GLN A 45 0.627 11.750 2.449 1.00 0.00 C ATOM 761 CG GLN A 45 1.763 12.334 3.273 1.00 0.00 C ATOM 762 CD GLN A 45 1.483 13.752 3.729 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.761 14.498 3.069 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.060 14.134 4.864 1.00 0.00 N ATOM 0 H GLN A 45 -0.801 11.777 5.304 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.143 12.636 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.915 10.758 2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.477 12.368 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.936 11.703 4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.679 12.320 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.652 13.483 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.911 15.079 5.219 1.00 0.00 H new ATOM 773 N ASP A 46 -2.707 10.289 3.155 1.00 0.00 N ATOM 774 CA ASP A 46 -3.702 9.409 2.555 1.00 0.00 C ATOM 775 C ASP A 46 -4.785 10.215 1.845 1.00 0.00 C ATOM 776 O ASP A 46 -5.795 10.584 2.446 1.00 0.00 O ATOM 777 CB ASP A 46 -4.334 8.515 3.623 1.00 0.00 C ATOM 778 CG ASP A 46 -4.986 9.313 4.734 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.324 10.220 5.281 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.159 9.031 5.058 1.00 0.00 O ATOM 0 H ASP A 46 -2.886 10.525 4.131 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.198 8.783 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.079 7.869 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.569 7.865 4.047 1.00 0.00 H new ATOM 785 N HIS A 47 -4.570 10.486 0.562 1.00 0.00 N ATOM 786 CA HIS A 47 -5.527 11.247 -0.231 1.00 0.00 C ATOM 787 C HIS A 47 -5.720 10.617 -1.606 1.00 0.00 C ATOM 788 O HIS A 47 -5.020 9.672 -1.971 1.00 0.00 O ATOM 789 CB HIS A 47 -5.058 12.697 -0.382 1.00 0.00 C ATOM 790 CG HIS A 47 -4.846 13.398 0.924 1.00 0.00 C ATOM 791 ND1 HIS A 47 -5.793 14.218 1.499 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.788 13.396 1.769 1.00 0.00 C ATOM 793 CE1 HIS A 47 -5.326 14.693 2.641 1.00 0.00 C ATOM 794 NE2 HIS A 47 -4.113 14.208 2.827 1.00 0.00 N ATOM 0 H HIS A 47 -3.740 10.189 0.049 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.484 11.234 0.291 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.127 12.712 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.794 13.249 -0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.862 12.857 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.848 15.363 3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.513 14.405 3.628 1.00 0.00 H new ATOM 803 N ALA A 48 -6.675 11.144 -2.365 1.00 0.00 N ATOM 804 CA ALA A 48 -6.960 10.632 -3.701 1.00 0.00 C ATOM 805 C ALA A 48 -5.907 11.091 -4.702 1.00 0.00 C ATOM 806 O ALA A 48 -5.219 12.087 -4.482 1.00 0.00 O ATOM 807 CB ALA A 48 -8.346 11.073 -4.149 1.00 0.00 C ATOM 0 H ALA A 48 -7.265 11.925 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.932 9.543 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.546 10.684 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.092 10.689 -3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.393 12.162 -4.167 1.00 0.00 H new ATOM 813 N LEU A 49 -5.787 10.357 -5.805 1.00 0.00 N ATOM 814 CA LEU A 49 -4.816 10.688 -6.842 1.00 0.00 C ATOM 815 C LEU A 49 -5.518 11.146 -8.116 1.00 0.00 C ATOM 816 O LEU A 49 -6.741 11.280 -8.150 1.00 0.00 O ATOM 817 CB LEU A 49 -3.926 9.481 -7.143 1.00 0.00 C ATOM 818 CG LEU A 49 -3.201 8.892 -5.929 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.790 7.541 -5.556 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.709 8.768 -6.207 1.00 0.00 C ATOM 0 H LEU A 49 -6.350 9.530 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.195 11.505 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.538 8.701 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.183 9.773 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.339 9.569 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.261 7.140 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.846 7.659 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.686 6.854 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.210 8.348 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.552 8.114 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.296 9.753 -6.422 1.00 0.00 H new ATOM 832 N LYS A 50 -4.735 11.385 -9.163 1.00 0.00 N ATOM 833 CA LYS A 50 -5.280 11.827 -10.441 1.00 0.00 C ATOM 834 C LYS A 50 -4.860 10.886 -11.567 1.00 0.00 C ATOM 835 O LYS A 50 -3.979 10.046 -11.389 1.00 0.00 O ATOM 836 CB LYS A 50 -4.815 13.251 -10.753 1.00 0.00 C ATOM 837 CG LYS A 50 -5.246 14.275 -9.715 1.00 0.00 C ATOM 838 CD LYS A 50 -4.890 15.688 -10.145 1.00 0.00 C ATOM 839 CE LYS A 50 -4.708 16.606 -8.947 1.00 0.00 C ATOM 840 NZ LYS A 50 -6.005 17.160 -8.470 1.00 0.00 N ATOM 0 H LYS A 50 -3.721 11.280 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.367 11.814 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.728 13.260 -10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.206 13.547 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.322 14.202 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.767 14.052 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.973 15.670 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.675 16.082 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.229 16.056 -8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.040 17.425 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.838 17.781 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.451 17.707 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.634 16.380 -8.190 1.00 0.00 H new ATOM 854 N GLY A 51 -5.495 11.036 -12.724 1.00 0.00 N ATOM 855 CA GLY A 51 -5.174 10.193 -13.861 1.00 0.00 C ATOM 856 C GLY A 51 -5.779 8.807 -13.745 1.00 0.00 C ATOM 857 O GLY A 51 -6.958 8.662 -13.422 1.00 0.00 O ATOM 0 H GLY A 51 -6.226 11.726 -12.895 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.533 10.668 -14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.091 10.107 -13.951 1.00 0.00 H new ATOM 861 N LYS A 52 -4.970 7.786 -14.011 1.00 0.00 N ATOM 862 CA LYS A 52 -5.432 6.405 -13.936 1.00 0.00 C ATOM 863 C LYS A 52 -5.910 6.068 -12.527 1.00 0.00 C ATOM 864 O LYS A 52 -6.816 5.255 -12.347 1.00 0.00 O ATOM 865 CB LYS A 52 -4.311 5.449 -14.357 1.00 0.00 C ATOM 866 CG LYS A 52 -4.606 4.697 -15.643 1.00 0.00 C ATOM 867 CD LYS A 52 -4.225 5.515 -16.867 1.00 0.00 C ATOM 868 CE LYS A 52 -4.229 4.666 -18.128 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.974 5.483 -19.348 1.00 0.00 N ATOM 0 H LYS A 52 -3.992 7.889 -14.280 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.273 6.288 -14.619 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.388 6.016 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.138 4.730 -13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.058 3.755 -15.649 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.667 4.449 -15.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.923 6.344 -16.983 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.236 5.949 -16.722 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.468 3.890 -18.045 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.191 4.162 -18.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.985 4.868 -20.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.714 6.208 -19.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.045 5.944 -19.269 1.00 0.00 H new ATOM 883 N TRP A 53 -5.293 6.696 -11.532 1.00 0.00 N ATOM 884 CA TRP A 53 -5.655 6.465 -10.140 1.00 0.00 C ATOM 885 C TRP A 53 -6.585 7.560 -9.629 1.00 0.00 C ATOM 886 O TRP A 53 -6.472 8.002 -8.484 1.00 0.00 O ATOM 887 CB TRP A 53 -4.399 6.398 -9.269 1.00 0.00 C ATOM 888 CG TRP A 53 -3.337 5.497 -9.823 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.021 5.804 -10.012 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.503 4.145 -10.262 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.356 4.723 -10.542 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.245 3.693 -10.705 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.593 3.271 -10.325 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.049 2.407 -11.201 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.396 1.995 -10.817 1.00 0.00 C ATOM 896 CH2 TRP A 53 -3.133 1.572 -11.251 1.00 0.00 C ATOM 0 H TRP A 53 -4.539 7.370 -11.665 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.181 5.512 -10.081 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.990 7.402 -9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.675 6.052 -8.273 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.568 6.756 -9.779 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.364 4.693 -10.776 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.571 3.588 -9.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.076 2.079 -11.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.231 1.311 -10.868 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.012 0.569 -11.632 1.00 0.00 H new ATOM 907 N LYS A 54 -7.503 7.997 -10.485 1.00 0.00 N ATOM 908 CA LYS A 54 -8.451 9.043 -10.120 1.00 0.00 C ATOM 909 C LYS A 54 -9.439 8.542 -9.069 1.00 0.00 C ATOM 910 O LYS A 54 -9.602 9.159 -8.015 1.00 0.00 O ATOM 911 CB LYS A 54 -9.203 9.534 -11.359 1.00 0.00 C ATOM 912 CG LYS A 54 -9.065 11.028 -11.603 1.00 0.00 C ATOM 913 CD LYS A 54 -9.840 11.463 -12.835 1.00 0.00 C ATOM 914 CE LYS A 54 -9.539 12.907 -13.203 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.609 13.833 -12.739 1.00 0.00 N ATOM 0 H LYS A 54 -7.610 7.643 -11.436 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.891 9.875 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.836 8.996 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.260 9.288 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.426 11.575 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.012 11.282 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.588 10.813 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.909 11.348 -12.653 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.587 13.203 -12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.430 12.991 -14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.366 14.807 -13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.513 13.567 -13.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.696 13.772 -11.704 1.00 0.00 H new ATOM 929 N PRO A 55 -10.116 7.414 -9.344 1.00 0.00 N ATOM 930 CA PRO A 55 -11.090 6.834 -8.421 1.00 0.00 C ATOM 931 C PRO A 55 -10.441 5.936 -7.371 1.00 0.00 C ATOM 932 O PRO A 55 -11.022 4.933 -6.957 1.00 0.00 O ATOM 933 CB PRO A 55 -11.977 6.014 -9.352 1.00 0.00 C ATOM 934 CG PRO A 55 -11.057 5.555 -10.435 1.00 0.00 C ATOM 935 CD PRO A 55 -9.990 6.616 -10.578 1.00 0.00 C ATOM 0 HA PRO A 55 -11.620 7.592 -7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.428 5.170 -8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.794 6.614 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.613 4.592 -10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.598 5.422 -11.372 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.997 6.175 -10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.150 7.226 -11.467 1.00 0.00 H new ATOM 943 N PHE A 56 -9.236 6.301 -6.942 1.00 0.00 N ATOM 944 CA PHE A 56 -8.515 5.524 -5.939 1.00 0.00 C ATOM 945 C PHE A 56 -7.965 6.429 -4.843 1.00 0.00 C ATOM 946 O PHE A 56 -8.220 7.634 -4.831 1.00 0.00 O ATOM 947 CB PHE A 56 -7.374 4.743 -6.594 1.00 0.00 C ATOM 948 CG PHE A 56 -7.836 3.774 -7.645 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.075 4.199 -8.941 1.00 0.00 C ATOM 950 CD2 PHE A 56 -8.030 2.438 -7.335 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.500 3.311 -9.910 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.456 1.544 -8.299 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.690 1.981 -9.588 1.00 0.00 C ATOM 0 H PHE A 56 -8.739 7.128 -7.273 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.214 4.821 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.674 5.447 -7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.828 4.198 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.927 5.238 -9.197 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.846 2.091 -6.329 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.683 3.656 -10.917 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.606 0.505 -8.045 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.021 1.284 -10.343 1.00 0.00 H new ATOM 963 N ARG A 57 -7.208 5.843 -3.921 1.00 0.00 N ATOM 964 CA ARG A 57 -6.623 6.598 -2.819 1.00 0.00 C ATOM 965 C ARG A 57 -5.191 6.144 -2.549 1.00 0.00 C ATOM 966 O ARG A 57 -4.896 4.949 -2.554 1.00 0.00 O ATOM 967 CB ARG A 57 -7.468 6.434 -1.554 1.00 0.00 C ATOM 968 CG ARG A 57 -7.017 7.320 -0.403 1.00 0.00 C ATOM 969 CD ARG A 57 -8.032 8.411 -0.102 1.00 0.00 C ATOM 970 NE ARG A 57 -9.243 7.879 0.524 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.380 7.638 -0.130 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.473 7.874 -1.433 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.428 7.158 0.525 1.00 0.00 N ATOM 0 H ARG A 57 -6.985 4.848 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.606 7.650 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.508 6.660 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.432 5.392 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.864 6.710 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.057 7.774 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.581 9.154 0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.298 8.923 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.216 7.680 1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.670 8.243 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.347 7.686 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.363 6.974 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.299 6.973 0.028 1.00 0.00 H new ATOM 987 N GLU A 58 -4.304 7.107 -2.313 1.00 0.00 N ATOM 988 CA GLU A 58 -2.903 6.808 -2.040 1.00 0.00 C ATOM 989 C GLU A 58 -2.626 6.831 -0.540 1.00 0.00 C ATOM 990 O GLU A 58 -3.480 7.231 0.252 1.00 0.00 O ATOM 991 CB GLU A 58 -1.997 7.813 -2.755 1.00 0.00 C ATOM 992 CG GLU A 58 -0.783 7.178 -3.414 1.00 0.00 C ATOM 993 CD GLU A 58 0.219 8.206 -3.903 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.256 9.317 -3.334 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.968 7.899 -4.855 1.00 0.00 O ATOM 0 H GLU A 58 -4.532 8.101 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.689 5.807 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.578 8.338 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.660 8.561 -2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.296 6.511 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.109 6.565 -4.254 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.430 6.400 -0.156 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.040 6.373 1.249 1.00 0.00 C ATOM 1004 C CYS A 59 0.461 6.145 1.392 1.00 0.00 C ATOM 1005 O CYS A 59 0.968 5.067 1.084 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.808 5.278 1.992 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.765 5.441 3.793 1.00 0.00 S ATOM 0 H CYS A 59 -0.713 6.064 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.286 7.340 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.847 5.289 1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.395 4.308 1.715 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.876 4.628 4.281 1.00 0.00 H new ATOM 1013 N HIS A 60 1.166 7.169 1.864 1.00 0.00 N ATOM 1014 CA HIS A 60 2.609 7.082 2.048 1.00 0.00 C ATOM 1015 C HIS A 60 2.950 6.585 3.450 1.00 0.00 C ATOM 1016 O HIS A 60 3.236 7.379 4.346 1.00 0.00 O ATOM 1017 CB HIS A 60 3.260 8.446 1.809 1.00 0.00 C ATOM 1018 CG HIS A 60 2.956 9.029 0.463 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.704 10.041 -0.104 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.979 8.740 -0.431 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.201 10.348 -1.286 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.155 9.573 -1.508 1.00 0.00 N ATOM 0 H HIS A 60 0.761 8.068 2.126 1.00 0.00 H new ATOM 0 HA HIS A 60 2.998 6.368 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.924 9.139 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.340 8.348 1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.206 7.994 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.581 11.104 -1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.572 9.590 -2.345 1.00 0.00 H new ATOM 1031 N ILE A 61 2.919 5.269 3.635 1.00 0.00 N ATOM 1032 CA ILE A 61 3.226 4.671 4.932 1.00 0.00 C ATOM 1033 C ILE A 61 4.608 5.102 5.418 1.00 0.00 C ATOM 1034 O ILE A 61 4.844 5.227 6.620 1.00 0.00 O ATOM 1035 CB ILE A 61 3.166 3.131 4.870 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.803 2.672 4.342 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.438 2.530 6.244 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.838 2.198 2.906 1.00 0.00 C ATOM 0 H ILE A 61 2.685 4.596 2.905 1.00 0.00 H new ATOM 0 HA ILE A 61 2.471 5.024 5.634 1.00 0.00 H new ATOM 0 HB ILE A 61 3.938 2.781 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.431 1.865 4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.094 3.495 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.392 1.443 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.429 2.832 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.688 2.885 6.951 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.838 1.889 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.179 3.010 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.522 1.354 2.818 1.00 0.00 H new ATOM 1050 N LYS A 62 5.517 5.327 4.476 1.00 0.00 N ATOM 1051 CA LYS A 62 6.874 5.745 4.808 1.00 0.00 C ATOM 1052 C LYS A 62 7.282 6.960 3.977 1.00 0.00 C ATOM 1053 O LYS A 62 6.577 7.349 3.045 1.00 0.00 O ATOM 1054 CB LYS A 62 7.854 4.593 4.570 1.00 0.00 C ATOM 1055 CG LYS A 62 7.387 3.268 5.154 1.00 0.00 C ATOM 1056 CD LYS A 62 8.385 2.719 6.163 1.00 0.00 C ATOM 1057 CE LYS A 62 7.994 3.080 7.587 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.743 4.267 8.084 1.00 0.00 N ATOM 0 H LYS A 62 5.339 5.227 3.477 1.00 0.00 H new ATOM 0 HA LYS A 62 6.901 6.022 5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.009 4.474 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.819 4.852 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.418 3.403 5.636 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.246 2.545 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.444 1.635 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.378 3.114 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.924 3.282 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.184 2.230 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.172 4.764 8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.639 3.958 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.942 4.909 7.290 1.00 0.00 H new ATOM 1072 N PRO A 63 8.428 7.585 4.306 1.00 0.00 N ATOM 1073 CA PRO A 63 8.924 8.765 3.591 1.00 0.00 C ATOM 1074 C PRO A 63 9.426 8.442 2.184 1.00 0.00 C ATOM 1075 O PRO A 63 9.888 9.326 1.463 1.00 0.00 O ATOM 1076 CB PRO A 63 10.084 9.272 4.466 1.00 0.00 C ATOM 1077 CG PRO A 63 9.991 8.504 5.744 1.00 0.00 C ATOM 1078 CD PRO A 63 9.325 7.203 5.403 1.00 0.00 C ATOM 0 HA PRO A 63 8.130 9.498 3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.044 9.106 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.999 10.344 4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.980 8.335 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.414 9.054 6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.046 6.447 5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.777 6.793 6.251 1.00 0.00 H new ATOM 1086 N ASP A 64 9.331 7.176 1.798 1.00 0.00 N ATOM 1087 CA ASP A 64 9.774 6.745 0.478 1.00 0.00 C ATOM 1088 C ASP A 64 8.909 5.597 -0.037 1.00 0.00 C ATOM 1089 O ASP A 64 9.363 4.773 -0.830 1.00 0.00 O ATOM 1090 CB ASP A 64 11.241 6.313 0.524 1.00 0.00 C ATOM 1091 CG ASP A 64 12.011 6.752 -0.704 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.758 6.199 -1.795 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.869 7.651 -0.577 1.00 0.00 O ATOM 0 H ASP A 64 8.951 6.430 2.380 1.00 0.00 H new ATOM 0 HA ASP A 64 9.673 7.588 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.712 6.731 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.295 5.228 0.615 1.00 0.00 H new ATOM 1098 N VAL A 65 7.661 5.550 0.422 1.00 0.00 N ATOM 1099 CA VAL A 65 6.734 4.503 0.007 1.00 0.00 C ATOM 1100 C VAL A 65 5.365 5.084 -0.328 1.00 0.00 C ATOM 1101 O VAL A 65 4.970 6.121 0.205 1.00 0.00 O ATOM 1102 CB VAL A 65 6.568 3.432 1.101 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.691 2.290 0.607 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.925 2.913 1.548 1.00 0.00 C ATOM 0 H VAL A 65 7.270 6.224 1.080 1.00 0.00 H new ATOM 0 HA VAL A 65 7.159 4.040 -0.883 1.00 0.00 H new ATOM 0 HB VAL A 65 6.077 3.891 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.587 1.544 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.707 2.676 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.150 1.831 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.789 2.157 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.444 2.472 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.517 3.737 1.947 1.00 0.00 H new ATOM 1114 N LEU A 66 4.646 4.403 -1.211 1.00 0.00 N ATOM 1115 CA LEU A 66 3.316 4.843 -1.619 1.00 0.00 C ATOM 1116 C LEU A 66 2.422 3.646 -1.922 1.00 0.00 C ATOM 1117 O LEU A 66 2.558 3.005 -2.964 1.00 0.00 O ATOM 1118 CB LEU A 66 3.399 5.756 -2.847 1.00 0.00 C ATOM 1119 CG LEU A 66 4.704 6.543 -2.994 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.867 7.041 -4.421 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.737 7.706 -2.012 1.00 0.00 C ATOM 0 H LEU A 66 4.961 3.543 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 66 2.881 5.406 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.259 5.148 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.570 6.463 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 66 5.537 5.878 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.800 7.598 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.888 6.191 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.031 7.691 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.671 8.255 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.897 8.372 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.666 7.324 -0.993 1.00 0.00 H new ATOM 1133 N LEU A 67 1.513 3.346 -1.001 1.00 0.00 N ATOM 1134 CA LEU A 67 0.601 2.221 -1.165 1.00 0.00 C ATOM 1135 C LEU A 67 -0.801 2.701 -1.527 1.00 0.00 C ATOM 1136 O LEU A 67 -1.417 3.466 -0.786 1.00 0.00 O ATOM 1137 CB LEU A 67 0.555 1.390 0.122 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.530 0.310 0.177 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.663 -0.399 -1.164 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.226 -0.692 1.280 1.00 0.00 C ATOM 0 H LEU A 67 1.388 3.867 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 67 0.970 1.600 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.525 0.912 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.411 2.066 0.965 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.480 0.796 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.440 -1.161 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.930 0.325 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.286 -0.870 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.006 -1.453 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.736 -1.166 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.190 -0.177 2.240 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.300 2.241 -2.669 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.631 2.616 -3.127 1.00 0.00 C ATOM 1154 C VAL A 68 -3.644 1.525 -2.798 1.00 0.00 C ATOM 1155 O VAL A 68 -3.379 0.339 -2.991 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.651 2.884 -4.645 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.026 3.355 -5.090 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.585 3.900 -5.019 1.00 0.00 C ATOM 0 H VAL A 68 -0.802 1.608 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.902 3.534 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.431 1.950 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.018 3.538 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.766 2.589 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.282 4.276 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.613 4.078 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.773 4.835 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.603 3.517 -4.740 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.805 1.934 -2.298 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.856 0.990 -1.940 1.00 0.00 C ATOM 1170 C TYR A 69 -7.232 1.643 -2.027 1.00 0.00 C ATOM 1171 O TYR A 69 -7.349 2.867 -2.036 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.625 0.450 -0.527 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.643 1.521 0.539 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -6.840 1.953 1.098 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.464 2.104 0.986 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -6.861 2.932 2.072 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.477 3.083 1.960 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.677 3.494 2.500 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.694 4.469 3.471 1.00 0.00 O ATOM 0 H TYR A 69 -5.041 2.912 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.822 0.163 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.392 -0.290 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.665 -0.066 -0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.770 1.516 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.522 1.786 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.800 3.256 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.551 3.525 2.297 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.460 4.326 4.065 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.268 0.814 -2.090 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.639 1.307 -2.175 1.00 0.00 C ATOM 1191 C LEU A 70 -10.394 1.033 -0.878 1.00 0.00 C ATOM 1192 O LEU A 70 -9.916 0.298 -0.015 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.366 0.654 -3.353 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.295 1.584 -4.134 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.500 2.695 -4.802 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.087 0.798 -5.168 1.00 0.00 C ATOM 0 H LEU A 70 -8.185 -0.203 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.604 2.385 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.623 0.247 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.949 -0.188 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.997 2.038 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.178 3.347 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.976 3.275 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.775 2.260 -5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.743 1.475 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.400 0.317 -5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.686 0.038 -4.667 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.574 1.630 -0.747 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.391 1.451 0.446 1.00 0.00 C ATOM 1210 C VAL A 71 -13.805 1.012 0.083 1.00 0.00 C ATOM 1211 O VAL A 71 -14.607 1.808 -0.409 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.466 2.746 1.278 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.185 2.497 2.595 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.071 3.305 1.523 1.00 0.00 C ATOM 0 H VAL A 71 -11.985 2.242 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.913 0.673 1.041 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.036 3.484 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.227 3.424 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.198 2.147 2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.646 1.742 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.144 4.219 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.475 2.571 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.595 3.526 0.568 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.108 -0.258 0.333 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.427 -0.803 0.034 1.00 0.00 C ATOM 1226 C LYS A 72 -16.412 -0.476 1.154 1.00 0.00 C ATOM 1227 O LYS A 72 -16.010 -0.112 2.258 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.344 -2.318 -0.170 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.050 -2.801 -1.427 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.848 -4.070 -1.168 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.717 -5.053 -2.319 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.833 -4.912 -3.297 1.00 0.00 N ATOM 0 H LYS A 72 -13.458 -0.929 0.742 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.786 -0.344 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.296 -2.613 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.779 -2.817 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.716 -2.020 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.314 -2.986 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.501 -4.538 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.898 -3.817 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.766 -4.893 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.702 -6.070 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.708 -5.599 -4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.739 -5.089 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.831 -3.949 -3.689 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.704 -0.609 0.857 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.756 -0.324 1.834 1.00 0.00 C ATOM 1248 C ASP A 73 -18.416 -0.902 3.206 1.00 0.00 C ATOM 1249 O ASP A 73 -18.646 -0.262 4.232 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.092 -0.890 1.349 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.749 -0.008 0.306 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.085 0.319 -0.699 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.928 0.359 0.496 1.00 0.00 O ATOM 0 H ASP A 73 -18.049 -0.913 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.834 0.759 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.932 -1.884 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.765 -1.005 2.199 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.868 -2.111 3.216 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.496 -2.770 4.463 1.00 0.00 C ATOM 1260 C ASP A 74 -16.306 -3.699 4.253 1.00 0.00 C ATOM 1261 O ASP A 74 -16.161 -4.706 4.948 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.683 -3.559 5.021 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.580 -2.708 5.899 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.247 -1.799 5.363 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.615 -2.952 7.123 1.00 0.00 O ATOM 0 H ASP A 74 -17.671 -2.655 2.376 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.211 -2.001 5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.267 -3.965 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.314 -4.407 5.597 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.456 -3.359 3.288 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.279 -4.165 2.986 1.00 0.00 C ATOM 1272 C GLU A 75 -13.160 -3.299 2.419 1.00 0.00 C ATOM 1273 O GLU A 75 -13.415 -2.271 1.793 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.633 -5.272 1.989 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.565 -6.330 2.554 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.094 -7.268 1.487 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.662 -6.775 0.490 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.941 -8.497 1.648 1.00 0.00 O ATOM 0 H GLU A 75 -15.561 -2.531 2.702 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.933 -4.618 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.098 -4.823 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.714 -5.753 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.036 -6.908 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.403 -5.843 3.052 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.920 -3.722 2.639 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.763 -2.984 2.146 1.00 0.00 C ATOM 1287 C LEU A 76 -10.004 -3.803 1.108 1.00 0.00 C ATOM 1288 O LEU A 76 -9.800 -5.004 1.278 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.834 -2.610 3.304 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.540 -1.905 2.896 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.832 -0.491 2.415 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.560 -1.882 4.059 1.00 0.00 C ATOM 0 H LEU A 76 -11.690 -4.571 3.155 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.119 -2.069 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.379 -1.965 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.578 -3.517 3.852 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.088 -2.460 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.900 -0.004 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.500 -0.530 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.306 0.075 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.644 -1.377 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.005 -1.349 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.328 -2.904 4.360 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.591 -3.145 0.029 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.859 -3.816 -1.038 1.00 0.00 C ATOM 1306 C ILE A 77 -7.599 -3.043 -1.416 1.00 0.00 C ATOM 1307 O ILE A 77 -7.642 -1.832 -1.633 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.739 -4.002 -2.293 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.029 -2.653 -2.956 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.039 -4.705 -1.926 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.138 -2.363 -4.147 1.00 0.00 C ATOM 0 H ILE A 77 -9.751 -2.150 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.574 -4.797 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.196 -4.622 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.070 -2.631 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.906 -1.860 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.650 -4.830 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.816 -5.683 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.583 -4.106 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.398 -1.392 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.096 -2.353 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.278 -3.135 -4.903 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.475 -3.751 -1.494 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.204 -3.131 -1.848 1.00 0.00 C ATOM 1325 C LEU A 78 -5.071 -2.995 -3.361 1.00 0.00 C ATOM 1326 O LEU A 78 -5.405 -3.916 -4.108 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.039 -3.953 -1.293 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.139 -4.291 0.195 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.896 -5.038 0.657 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.339 -3.027 1.018 1.00 0.00 C ATOM 0 H LEU A 78 -6.420 -4.754 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.178 -2.135 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.968 -4.883 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.113 -3.405 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.004 -4.937 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.985 -5.270 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.796 -5.964 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.016 -4.416 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.408 -3.288 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.494 -2.355 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.258 -2.531 0.706 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.586 -1.842 -3.808 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.415 -1.587 -5.233 1.00 0.00 C ATOM 1344 C LEU A 79 -3.011 -1.970 -5.692 1.00 0.00 C ATOM 1345 O LEU A 79 -2.830 -2.959 -6.404 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.687 -0.112 -5.545 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.835 0.139 -6.524 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.513 -0.454 -7.888 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.133 -0.442 -5.981 1.00 0.00 C ATOM 0 H LEU A 79 -4.304 -1.070 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.132 -2.203 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.905 0.407 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.778 0.332 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.961 1.216 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.341 -0.266 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.607 0.007 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.360 -1.529 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.940 -0.255 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.019 -1.516 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.371 0.029 -5.027 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.020 -1.183 -5.284 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.636 -1.447 -5.659 1.00 0.00 C ATOM 1363 C ARG A 80 0.334 -0.799 -4.675 1.00 0.00 C ATOM 1364 O ARG A 80 -0.053 0.054 -3.877 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.363 -0.931 -7.074 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.508 0.577 -7.212 1.00 0.00 C ATOM 1367 CD ARG A 80 0.843 1.275 -7.194 1.00 0.00 C ATOM 1368 NE ARG A 80 1.048 2.100 -8.383 1.00 0.00 N ATOM 1369 CZ ARG A 80 1.401 1.615 -9.570 1.00 0.00 C ATOM 1370 NH1 ARG A 80 1.596 0.313 -9.732 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.562 2.435 -10.599 1.00 0.00 N ATOM 0 H ARG A 80 -2.149 -0.360 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.481 -2.526 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.646 -1.219 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.048 -1.418 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.025 0.809 -8.143 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.126 0.959 -6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.917 1.898 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.636 0.530 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 80 0.912 3.107 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.475 -0.323 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.867 -0.052 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.415 3.437 -10.480 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.833 2.064 -11.510 1.00 0.00 H new ATOM 1385 N LEU A 81 1.594 -1.213 -4.742 1.00 0.00 N ATOM 1386 CA LEU A 81 2.626 -0.677 -3.860 1.00 0.00 C ATOM 1387 C LEU A 81 3.767 -0.070 -4.668 1.00 0.00 C ATOM 1388 O LEU A 81 4.374 -0.741 -5.505 1.00 0.00 O ATOM 1389 CB LEU A 81 3.161 -1.779 -2.940 1.00 0.00 C ATOM 1390 CG LEU A 81 4.208 -1.329 -1.916 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.567 -1.159 -2.578 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.777 -0.037 -1.237 1.00 0.00 C ATOM 0 H LEU A 81 1.927 -1.919 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 81 2.180 0.109 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.321 -2.222 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.596 -2.565 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 81 4.293 -2.103 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.297 -0.839 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.882 -2.108 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.497 -0.407 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.535 0.264 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.659 0.746 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.828 -0.195 -0.724 1.00 0.00 H new ATOM 1404 N GLY A 82 4.054 1.202 -4.414 1.00 0.00 N ATOM 1405 CA GLY A 82 5.123 1.877 -5.128 1.00 0.00 C ATOM 1406 C GLY A 82 5.963 2.754 -4.218 1.00 0.00 C ATOM 1407 O GLY A 82 5.834 2.693 -2.995 1.00 0.00 O ATOM 0 H GLY A 82 3.566 1.778 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.763 1.135 -5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.696 2.488 -5.924 1.00 0.00 H new ATOM 1411 N SER A 83 6.823 3.570 -4.816 1.00 0.00 N ATOM 1412 CA SER A 83 7.687 4.461 -4.051 1.00 0.00 C ATOM 1413 C SER A 83 7.805 5.822 -4.733 1.00 0.00 C ATOM 1414 O SER A 83 7.189 6.062 -5.771 1.00 0.00 O ATOM 1415 CB SER A 83 9.075 3.841 -3.885 1.00 0.00 C ATOM 1416 OG SER A 83 9.391 2.995 -4.977 1.00 0.00 O ATOM 0 H SER A 83 6.941 3.633 -5.827 1.00 0.00 H new ATOM 0 HA SER A 83 7.240 4.604 -3.067 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.822 4.631 -3.805 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.113 3.271 -2.957 1.00 0.00 H new ATOM 0 HG SER A 83 10.284 2.613 -4.847 1.00 0.00 H new ATOM 1422 N HIS A 84 8.600 6.707 -4.141 1.00 0.00 N ATOM 1423 CA HIS A 84 8.800 8.042 -4.690 1.00 0.00 C ATOM 1424 C HIS A 84 9.567 7.983 -6.007 1.00 0.00 C ATOM 1425 O HIS A 84 9.403 8.843 -6.873 1.00 0.00 O ATOM 1426 CB HIS A 84 9.551 8.921 -3.689 1.00 0.00 C ATOM 1427 CG HIS A 84 9.424 10.388 -3.966 1.00 0.00 C ATOM 1428 ND1 HIS A 84 10.498 11.252 -3.954 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.339 11.142 -4.265 1.00 0.00 C ATOM 1430 CE1 HIS A 84 10.080 12.475 -4.232 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.775 12.435 -4.425 1.00 0.00 N ATOM 0 H HIS A 84 9.116 6.523 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 84 7.819 8.477 -4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.177 8.715 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.606 8.648 -3.698 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.322 10.792 -4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.701 13.357 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.185 13.235 -4.656 1.00 0.00 H new ATOM 1440 N SER A 85 10.405 6.962 -6.153 1.00 0.00 N ATOM 1441 CA SER A 85 11.198 6.789 -7.365 1.00 0.00 C ATOM 1442 C SER A 85 10.450 5.949 -8.394 1.00 0.00 C ATOM 1443 O SER A 85 10.678 6.077 -9.597 1.00 0.00 O ATOM 1444 CB SER A 85 12.539 6.134 -7.031 1.00 0.00 C ATOM 1445 OG SER A 85 13.213 6.843 -6.006 1.00 0.00 O ATOM 0 H SER A 85 10.553 6.241 -5.447 1.00 0.00 H new ATOM 0 HA SER A 85 11.378 7.775 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.375 5.103 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.163 6.100 -7.924 1.00 0.00 H new ATOM 0 HG SER A 85 14.066 6.403 -5.810 1.00 0.00 H new ATOM 1451 N GLU A 86 9.559 5.086 -7.916 1.00 0.00 N ATOM 1452 CA GLU A 86 8.781 4.223 -8.797 1.00 0.00 C ATOM 1453 C GLU A 86 7.579 4.968 -9.373 1.00 0.00 C ATOM 1454 O GLU A 86 7.526 5.247 -10.571 1.00 0.00 O ATOM 1455 CB GLU A 86 8.310 2.979 -8.041 1.00 0.00 C ATOM 1456 CG GLU A 86 8.362 1.707 -8.872 1.00 0.00 C ATOM 1457 CD GLU A 86 7.300 0.703 -8.469 1.00 0.00 C ATOM 1458 OE1 GLU A 86 6.252 1.128 -7.942 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.519 -0.509 -8.679 1.00 0.00 O ATOM 0 H GLU A 86 9.358 4.966 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 86 9.424 3.918 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.928 2.848 -7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.288 3.138 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.237 1.960 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.346 1.250 -8.769 1.00 0.00 H new ATOM 1466 N LEU A 87 6.619 5.285 -8.512 1.00 0.00 N ATOM 1467 CA LEU A 87 5.419 5.997 -8.937 1.00 0.00 C ATOM 1468 C LEU A 87 5.733 7.452 -9.267 1.00 0.00 C ATOM 1469 O LEU A 87 5.188 8.015 -10.218 1.00 0.00 O ATOM 1470 CB LEU A 87 4.347 5.929 -7.847 1.00 0.00 C ATOM 1471 CG LEU A 87 4.167 4.553 -7.201 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.032 4.581 -6.189 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.909 3.497 -8.266 1.00 0.00 C ATOM 0 H LEU A 87 6.648 5.061 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 87 5.043 5.514 -9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.596 6.650 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.394 6.240 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 87 5.086 4.296 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.920 3.594 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.257 5.310 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.105 4.860 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.783 2.524 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.004 3.751 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.755 3.459 -8.953 1.00 0.00 H new ATOM 1485 N PHE A 88 6.611 8.057 -8.476 1.00 0.00 N ATOM 1486 CA PHE A 88 6.996 9.449 -8.686 1.00 0.00 C ATOM 1487 C PHE A 88 8.379 9.541 -9.320 1.00 0.00 C ATOM 1488 O PHE A 88 9.072 8.503 -9.380 1.00 0.00 O ATOM 1489 CB PHE A 88 6.977 10.211 -7.360 1.00 0.00 C ATOM 1490 CG PHE A 88 5.620 10.741 -6.991 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.985 11.674 -7.794 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.983 10.306 -5.840 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.738 12.163 -7.457 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.735 10.791 -5.498 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.112 11.721 -6.307 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.760 10.650 -9.751 1.00 0.00 O ATOM 0 H PHE A 88 7.070 7.607 -7.684 1.00 0.00 H new ATOM 0 HA PHE A 88 6.274 9.901 -9.366 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.329 9.552 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.679 11.043 -7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.470 12.023 -8.694 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.467 9.580 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.253 12.890 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.247 10.443 -4.599 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.137 12.102 -6.041 1.00 0.00 H new TER 1506 PHE A 88