USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=12 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 -151:sc= -0.295 (180deg=-1.44!) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.00983 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 158:sc= 0.566 (180deg=0.0994) USER MOD Single : A 5 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.14) 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= -0.676 X(o=-0.68,f=-0.23) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -0.0213 (180deg=-1.26!) 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 X(o=0,f=0.32) USER MOD Single : A 33 THR OG1 : rot 105:sc= 0.279 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= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc=-0.000606 X(o=-0.00061,f=-0.00061) USER MOD Single : A 47 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0.032) 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 -90:sc= -2.23 USER MOD Single : A 60 HIS : no HD1:sc= -0.955 X(o=-0.95,f=-0.5) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -1.33 (180deg=-3.97!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -97:sc= 0.611 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00652 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.514 -3.483 13.046 1.00 0.00 N ATOM 2 CA MET A 1 -11.623 -3.078 11.929 1.00 0.00 C ATOM 3 C MET A 1 -12.296 -3.300 10.579 1.00 0.00 C ATOM 4 O MET A 1 -13.399 -3.846 10.506 1.00 0.00 O ATOM 5 CB MET A 1 -10.331 -3.893 12.015 1.00 0.00 C ATOM 6 CG MET A 1 -9.076 -3.069 11.779 1.00 0.00 C ATOM 7 SD MET A 1 -8.587 -2.114 13.228 1.00 0.00 S ATOM 8 CE MET A 1 -9.251 -0.504 12.814 1.00 0.00 C ATOM 0 H1 MET A 1 -12.307 -2.901 13.883 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.506 -3.346 12.766 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.353 -4.485 13.272 1.00 0.00 H new ATOM 0 HA MET A 1 -11.403 -2.014 12.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.270 -4.359 12.998 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.370 -4.699 11.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.259 -3.732 11.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.244 -2.391 10.942 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.644 0.271 13.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.237 -0.372 11.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.277 -0.430 13.175 1.00 0.00 H new ATOM 20 N LEU A 2 -11.628 -2.874 9.512 1.00 0.00 N ATOM 21 CA LEU A 2 -12.163 -3.027 8.163 1.00 0.00 C ATOM 22 C LEU A 2 -11.565 -4.251 7.478 1.00 0.00 C ATOM 23 O LEU A 2 -10.454 -4.674 7.796 1.00 0.00 O ATOM 24 CB LEU A 2 -11.877 -1.774 7.335 1.00 0.00 C ATOM 25 CG LEU A 2 -12.647 -0.524 7.767 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.814 0.725 7.521 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.975 -0.435 7.031 1.00 0.00 C ATOM 0 H LEU A 2 -10.716 -2.420 9.555 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.241 -3.166 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.809 -1.560 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.112 -1.985 6.292 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.851 -0.596 8.835 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.376 1.605 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.888 0.664 8.093 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.580 0.803 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.509 0.460 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.793 -0.385 5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.576 -1.316 7.257 1.00 0.00 H new ATOM 39 N LYS A 3 -12.311 -4.814 6.532 1.00 0.00 N ATOM 40 CA LYS A 3 -11.857 -5.990 5.799 1.00 0.00 C ATOM 41 C LYS A 3 -10.716 -5.632 4.853 1.00 0.00 C ATOM 42 O LYS A 3 -10.678 -4.536 4.296 1.00 0.00 O ATOM 43 CB LYS A 3 -13.014 -6.599 5.008 1.00 0.00 C ATOM 44 CG LYS A 3 -12.968 -8.116 4.932 1.00 0.00 C ATOM 45 CD LYS A 3 -12.354 -8.591 3.625 1.00 0.00 C ATOM 46 CE LYS A 3 -13.247 -8.267 2.439 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.183 -9.383 2.128 1.00 0.00 N ATOM 0 H LYS A 3 -13.232 -4.474 6.256 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.493 -6.721 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.955 -6.295 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.005 -6.193 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.389 -8.506 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.977 -8.517 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.380 -8.121 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.185 -9.667 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.818 -7.363 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.629 -8.057 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.997 -9.015 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.691 -10.100 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.516 -9.814 3.014 1.00 0.00 H new ATOM 61 N LEU A 4 -9.787 -6.566 4.674 1.00 0.00 N ATOM 62 CA LEU A 4 -8.645 -6.350 3.794 1.00 0.00 C ATOM 63 C LEU A 4 -8.706 -7.276 2.585 1.00 0.00 C ATOM 64 O LEU A 4 -9.262 -8.372 2.657 1.00 0.00 O ATOM 65 CB LEU A 4 -7.335 -6.570 4.551 1.00 0.00 C ATOM 66 CG LEU A 4 -6.082 -6.042 3.845 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.385 -4.994 4.699 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.130 -7.185 3.519 1.00 0.00 C ATOM 0 H LEU A 4 -9.803 -7.480 5.127 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.683 -5.319 3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.412 -6.091 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.211 -7.638 4.729 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.389 -5.572 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.498 -4.632 4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.065 -4.161 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.092 -5.436 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.246 -6.791 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.832 -7.684 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.630 -7.899 2.865 1.00 0.00 H new ATOM 80 N ASN A 5 -8.131 -6.829 1.474 1.00 0.00 N ATOM 81 CA ASN A 5 -8.118 -7.618 0.248 1.00 0.00 C ATOM 82 C ASN A 5 -6.749 -7.555 -0.421 1.00 0.00 C ATOM 83 O ASN A 5 -5.799 -7.010 0.138 1.00 0.00 O ATOM 84 CB ASN A 5 -9.196 -7.116 -0.716 1.00 0.00 C ATOM 85 CG ASN A 5 -9.924 -8.250 -1.410 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.505 -9.120 -0.761 1.00 0.00 O ATOM 87 ND2 ASN A 5 -9.894 -8.247 -2.738 1.00 0.00 N ATOM 0 H ASN A 5 -7.667 -5.924 1.397 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.328 -8.656 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.915 -6.508 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.738 -6.470 -1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.365 -8.986 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.400 -7.506 -3.235 1.00 0.00 H new ATOM 94 N LEU A 6 -6.656 -8.118 -1.622 1.00 0.00 N ATOM 95 CA LEU A 6 -5.404 -8.126 -2.366 1.00 0.00 C ATOM 96 C LEU A 6 -5.658 -7.988 -3.864 1.00 0.00 C ATOM 97 O LEU A 6 -6.562 -8.621 -4.410 1.00 0.00 O ATOM 98 CB LEU A 6 -4.626 -9.413 -2.085 1.00 0.00 C ATOM 99 CG LEU A 6 -3.984 -9.490 -0.698 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.875 -10.267 0.261 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.605 -10.129 -0.782 1.00 0.00 C ATOM 0 H LEU A 6 -7.433 -8.574 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.811 -7.273 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.300 -10.261 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.844 -9.519 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.870 -8.476 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.402 -10.311 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.840 -9.768 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.021 -11.279 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.164 -10.175 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.695 -11.137 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.967 -9.533 -1.434 1.00 0.00 H new ATOM 113 N LYS A 7 -4.855 -7.159 -4.522 1.00 0.00 N ATOM 114 CA LYS A 7 -4.993 -6.938 -5.956 1.00 0.00 C ATOM 115 C LYS A 7 -3.829 -7.562 -6.718 1.00 0.00 C ATOM 116 O LYS A 7 -2.866 -8.042 -6.119 1.00 0.00 O ATOM 117 CB LYS A 7 -5.071 -5.441 -6.257 1.00 0.00 C ATOM 118 CG LYS A 7 -6.489 -4.892 -6.251 1.00 0.00 C ATOM 119 CD LYS A 7 -7.306 -5.446 -7.408 1.00 0.00 C ATOM 120 CE LYS A 7 -7.496 -4.410 -8.506 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.845 -3.779 -8.451 1.00 0.00 N ATOM 0 H LYS A 7 -4.101 -6.629 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.916 -7.416 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.478 -4.899 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.621 -5.251 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.974 -5.144 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.459 -3.804 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.808 -6.325 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.280 -5.773 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.731 -3.639 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.356 -4.882 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.933 -3.080 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.575 -4.511 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.970 -3.306 -7.533 1.00 0.00 H new ATOM 135 N LYS A 8 -3.925 -7.554 -8.044 1.00 0.00 N ATOM 136 CA LYS A 8 -2.879 -8.121 -8.889 1.00 0.00 C ATOM 137 C LYS A 8 -1.602 -7.292 -8.806 1.00 0.00 C ATOM 138 O LYS A 8 -0.507 -7.836 -8.656 1.00 0.00 O ATOM 139 CB LYS A 8 -3.356 -8.199 -10.341 1.00 0.00 C ATOM 140 CG LYS A 8 -4.592 -9.062 -10.530 1.00 0.00 C ATOM 141 CD LYS A 8 -5.055 -9.065 -11.977 1.00 0.00 C ATOM 142 CE LYS A 8 -5.625 -7.717 -12.382 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.686 -7.851 -13.420 1.00 0.00 N ATOM 0 H LYS A 8 -4.715 -7.162 -8.556 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.661 -9.127 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.568 -7.192 -10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.550 -8.594 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.376 -10.083 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.395 -8.694 -9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.218 -9.317 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.811 -9.838 -12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.037 -7.219 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.824 -7.083 -12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.049 -6.909 -13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.287 -8.304 -14.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.463 -8.434 -13.049 1.00 0.00 H new ATOM 157 N SER A 9 -1.748 -5.976 -8.903 1.00 0.00 N ATOM 158 CA SER A 9 -0.606 -5.072 -8.838 1.00 0.00 C ATOM 159 C SER A 9 0.131 -5.222 -7.511 1.00 0.00 C ATOM 160 O SER A 9 1.362 -5.239 -7.471 1.00 0.00 O ATOM 161 CB SER A 9 -1.063 -3.624 -9.020 1.00 0.00 C ATOM 162 OG SER A 9 -1.432 -3.371 -10.365 1.00 0.00 O ATOM 0 H SER A 9 -2.647 -5.511 -9.027 1.00 0.00 H new ATOM 0 HA SER A 9 0.078 -5.333 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.909 -3.421 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.261 -2.947 -8.726 1.00 0.00 H new ATOM 0 HG SER A 9 -1.722 -2.439 -10.455 1.00 0.00 H new ATOM 168 N PHE A 10 -0.629 -5.329 -6.427 1.00 0.00 N ATOM 169 CA PHE A 10 -0.047 -5.477 -5.097 1.00 0.00 C ATOM 170 C PHE A 10 0.798 -6.744 -5.015 1.00 0.00 C ATOM 171 O PHE A 10 1.843 -6.763 -4.360 1.00 0.00 O ATOM 172 CB PHE A 10 -1.148 -5.514 -4.036 1.00 0.00 C ATOM 173 CG PHE A 10 -0.656 -5.210 -2.652 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.012 -4.014 -2.377 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.836 -6.122 -1.623 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.442 -3.732 -1.103 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.384 -5.845 -0.347 1.00 0.00 C ATOM 178 CZ PHE A 10 0.256 -4.650 -0.086 1.00 0.00 C ATOM 0 H PHE A 10 -1.649 -5.316 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 10 0.597 -4.618 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.923 -4.796 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.612 -6.500 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.137 -3.294 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.335 -7.059 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.941 -2.796 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.531 -6.563 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.611 -4.433 0.911 1.00 0.00 H new ATOM 188 N GLN A 11 0.344 -7.798 -5.682 1.00 0.00 N ATOM 189 CA GLN A 11 1.061 -9.068 -5.684 1.00 0.00 C ATOM 190 C GLN A 11 2.428 -8.918 -6.341 1.00 0.00 C ATOM 191 O GLN A 11 3.439 -9.371 -5.805 1.00 0.00 O ATOM 192 CB GLN A 11 0.246 -10.137 -6.416 1.00 0.00 C ATOM 193 CG GLN A 11 -0.941 -10.651 -5.618 1.00 0.00 C ATOM 194 CD GLN A 11 -1.876 -11.507 -6.449 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.628 -12.694 -6.659 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.958 -10.905 -6.929 1.00 0.00 N ATOM 0 H GLN A 11 -0.517 -7.799 -6.229 1.00 0.00 H new ATOM 0 HA GLN A 11 1.206 -9.377 -4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.112 -9.726 -7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.899 -10.975 -6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.579 -11.233 -4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.494 -9.805 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.124 -9.918 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.624 -11.429 -7.497 1.00 0.00 H new ATOM 205 N LYS A 12 2.452 -8.277 -7.505 1.00 0.00 N ATOM 206 CA LYS A 12 3.698 -8.065 -8.235 1.00 0.00 C ATOM 207 C LYS A 12 4.562 -7.010 -7.549 1.00 0.00 C ATOM 208 O LYS A 12 5.780 -6.979 -7.717 1.00 0.00 O ATOM 209 CB LYS A 12 3.402 -7.641 -9.674 1.00 0.00 C ATOM 210 CG LYS A 12 2.687 -8.707 -10.488 1.00 0.00 C ATOM 211 CD LYS A 12 1.849 -8.091 -11.597 1.00 0.00 C ATOM 212 CE LYS A 12 1.901 -8.928 -12.865 1.00 0.00 C ATOM 213 NZ LYS A 12 1.974 -8.079 -14.087 1.00 0.00 N ATOM 0 H LYS A 12 1.624 -7.896 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 12 4.248 -9.006 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.793 -6.737 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.339 -7.386 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.419 -9.389 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.048 -9.299 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.815 -7.997 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.208 -7.084 -11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.768 -9.588 -12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.017 -9.564 -12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.008 -8.687 -14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.135 -7.467 -14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.830 -7.490 -14.050 1.00 0.00 H new ATOM 227 N ASP A 13 3.921 -6.147 -6.770 1.00 0.00 N ATOM 228 CA ASP A 13 4.624 -5.090 -6.052 1.00 0.00 C ATOM 229 C ASP A 13 5.056 -5.562 -4.666 1.00 0.00 C ATOM 230 O ASP A 13 5.823 -4.887 -3.979 1.00 0.00 O ATOM 231 CB ASP A 13 3.735 -3.851 -5.927 1.00 0.00 C ATOM 232 CG ASP A 13 3.495 -3.173 -7.262 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.116 -3.592 -8.263 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.689 -2.220 -7.307 1.00 0.00 O ATOM 0 H ASP A 13 2.912 -6.158 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 13 5.517 -4.833 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.778 -4.137 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.199 -3.142 -5.241 1.00 0.00 H new ATOM 239 N PHE A 14 4.559 -6.726 -4.262 1.00 0.00 N ATOM 240 CA PHE A 14 4.894 -7.292 -2.966 1.00 0.00 C ATOM 241 C PHE A 14 6.115 -8.195 -3.067 1.00 0.00 C ATOM 242 O PHE A 14 7.174 -7.883 -2.532 1.00 0.00 O ATOM 243 CB PHE A 14 3.702 -8.080 -2.412 1.00 0.00 C ATOM 244 CG PHE A 14 3.923 -8.624 -1.030 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.813 -9.664 -0.810 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.236 -8.097 0.052 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.013 -10.165 0.462 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.433 -8.595 1.325 1.00 0.00 C ATOM 249 CZ PHE A 14 4.323 -9.630 1.531 1.00 0.00 C ATOM 0 H PHE A 14 3.921 -7.296 -4.818 1.00 0.00 H new ATOM 0 HA PHE A 14 5.129 -6.473 -2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.825 -7.433 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.480 -8.907 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.356 -10.087 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.538 -7.287 -0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.709 -10.975 0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.891 -8.175 2.159 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.479 -10.020 2.526 1.00 0.00 H new ATOM 259 N ASP A 15 5.947 -9.324 -3.745 1.00 0.00 N ATOM 260 CA ASP A 15 7.019 -10.295 -3.919 1.00 0.00 C ATOM 261 C ASP A 15 7.822 -10.046 -5.193 1.00 0.00 C ATOM 262 O ASP A 15 9.034 -10.258 -5.219 1.00 0.00 O ATOM 263 CB ASP A 15 6.446 -11.713 -3.938 1.00 0.00 C ATOM 264 CG ASP A 15 7.322 -12.701 -3.193 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.454 -12.565 -1.959 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.876 -13.612 -3.844 1.00 0.00 O ATOM 0 H ASP A 15 5.068 -9.591 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 15 7.698 -10.182 -3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.451 -11.706 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.330 -12.041 -4.971 1.00 0.00 H new ATOM 271 N LYS A 16 7.144 -9.621 -6.259 1.00 0.00 N ATOM 272 CA LYS A 16 7.820 -9.382 -7.531 1.00 0.00 C ATOM 273 C LYS A 16 8.610 -8.078 -7.513 1.00 0.00 C ATOM 274 O LYS A 16 9.482 -7.864 -8.354 1.00 0.00 O ATOM 275 CB LYS A 16 6.814 -9.379 -8.683 1.00 0.00 C ATOM 276 CG LYS A 16 7.240 -10.240 -9.861 1.00 0.00 C ATOM 277 CD LYS A 16 6.121 -10.386 -10.879 1.00 0.00 C ATOM 278 CE LYS A 16 5.395 -11.712 -10.723 1.00 0.00 C ATOM 279 NZ LYS A 16 4.237 -11.823 -11.654 1.00 0.00 N ATOM 0 H LYS A 16 6.141 -9.438 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 16 8.528 -10.197 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.851 -9.732 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.669 -8.354 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.113 -9.797 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.539 -11.225 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.412 -9.566 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.532 -10.311 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.090 -12.531 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.046 -11.817 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.149 -12.806 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.366 -11.545 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.387 -11.196 -12.470 1.00 0.00 H new ATOM 293 N LEU A 17 8.316 -7.213 -6.548 1.00 0.00 N ATOM 294 CA LEU A 17 9.026 -5.948 -6.433 1.00 0.00 C ATOM 295 C LEU A 17 10.346 -6.161 -5.712 1.00 0.00 C ATOM 296 O LEU A 17 11.349 -5.520 -6.026 1.00 0.00 O ATOM 297 CB LEU A 17 8.176 -4.920 -5.686 1.00 0.00 C ATOM 298 CG LEU A 17 8.208 -3.504 -6.264 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.388 -2.554 -5.402 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.643 -3.013 -6.390 1.00 0.00 C ATOM 0 H LEU A 17 7.597 -7.364 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 17 9.224 -5.566 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.143 -5.267 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.511 -4.880 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 17 7.765 -3.528 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.423 -1.552 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.354 -2.897 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.799 -2.532 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.647 -2.004 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.112 -3.005 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.198 -3.678 -7.051 1.00 0.00 H new ATOM 312 N LEU A 18 10.339 -7.074 -4.746 1.00 0.00 N ATOM 313 CA LEU A 18 11.548 -7.375 -3.983 1.00 0.00 C ATOM 314 C LEU A 18 12.649 -7.911 -4.894 1.00 0.00 C ATOM 315 O LEU A 18 13.829 -7.628 -4.691 1.00 0.00 O ATOM 316 CB LEU A 18 11.248 -8.389 -2.879 1.00 0.00 C ATOM 317 CG LEU A 18 9.848 -8.286 -2.276 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.728 -9.161 -1.044 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.514 -6.837 -1.949 1.00 0.00 C ATOM 0 H LEU A 18 9.518 -7.615 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 18 11.895 -6.447 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.382 -9.393 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.981 -8.265 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 18 9.129 -8.644 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.723 -9.072 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.918 -10.199 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.456 -8.841 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.513 -6.782 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.238 -6.450 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.552 -6.240 -2.860 1.00 0.00 H new ATOM 331 N LEU A 19 12.253 -8.683 -5.900 1.00 0.00 N ATOM 332 CA LEU A 19 13.207 -9.256 -6.844 1.00 0.00 C ATOM 333 C LEU A 19 13.441 -8.324 -8.034 1.00 0.00 C ATOM 334 O LEU A 19 14.045 -8.719 -9.030 1.00 0.00 O ATOM 335 CB LEU A 19 12.711 -10.616 -7.337 1.00 0.00 C ATOM 336 CG LEU A 19 11.383 -10.586 -8.097 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.626 -10.577 -9.599 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.516 -11.773 -7.704 1.00 0.00 C ATOM 0 H LEU A 19 11.280 -8.927 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 19 14.155 -9.386 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.473 -11.050 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.606 -11.280 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 19 10.855 -9.671 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.670 -10.556 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.207 -9.695 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.176 -11.474 -9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.576 -11.735 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.038 -12.700 -7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.312 -11.736 -6.634 1.00 0.00 H new ATOM 350 N ASN A 20 12.963 -7.085 -7.926 1.00 0.00 N ATOM 351 CA ASN A 20 13.127 -6.108 -8.995 1.00 0.00 C ATOM 352 C ASN A 20 14.028 -4.960 -8.551 1.00 0.00 C ATOM 353 O ASN A 20 13.896 -3.833 -9.028 1.00 0.00 O ATOM 354 CB ASN A 20 11.764 -5.564 -9.430 1.00 0.00 C ATOM 355 CG ASN A 20 11.751 -5.131 -10.883 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.717 -3.938 -11.186 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.777 -6.099 -11.791 1.00 0.00 N ATOM 0 H ASN A 20 12.460 -6.737 -7.110 1.00 0.00 H new ATOM 0 HA ASN A 20 13.598 -6.608 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.004 -6.330 -9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.496 -4.717 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.769 -5.867 -12.784 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.805 -7.075 -11.495 1.00 0.00 H new ATOM 364 N GLY A 21 14.944 -5.254 -7.632 1.00 0.00 N ATOM 365 CA GLY A 21 15.854 -4.236 -7.139 1.00 0.00 C ATOM 366 C GLY A 21 15.289 -3.470 -5.958 1.00 0.00 C ATOM 367 O GLY A 21 15.677 -2.328 -5.709 1.00 0.00 O ATOM 0 H GLY A 21 15.072 -6.179 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.794 -4.705 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.083 -3.538 -7.944 1.00 0.00 H new ATOM 371 N PHE A 22 14.372 -4.098 -5.227 1.00 0.00 N ATOM 372 CA PHE A 22 13.756 -3.467 -4.067 1.00 0.00 C ATOM 373 C PHE A 22 14.125 -4.208 -2.785 1.00 0.00 C ATOM 374 O PHE A 22 14.602 -5.342 -2.828 1.00 0.00 O ATOM 375 CB PHE A 22 12.238 -3.432 -4.230 1.00 0.00 C ATOM 376 CG PHE A 22 11.542 -2.608 -3.187 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.328 -1.253 -3.383 1.00 0.00 C ATOM 378 CD2 PHE A 22 11.100 -3.189 -2.010 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.687 -0.493 -2.423 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.459 -2.435 -1.047 1.00 0.00 C ATOM 381 CZ PHE A 22 10.252 -1.084 -1.253 1.00 0.00 C ATOM 0 H PHE A 22 14.040 -5.043 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 22 14.131 -2.446 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.996 -3.036 -5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.853 -4.451 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.666 -0.786 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.259 -4.244 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.526 0.562 -2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.120 -2.901 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.751 -0.492 -0.501 1.00 0.00 H new ATOM 391 N ASP A 23 13.903 -3.560 -1.647 1.00 0.00 N ATOM 392 CA ASP A 23 14.212 -4.158 -0.352 1.00 0.00 C ATOM 393 C ASP A 23 12.961 -4.750 0.288 1.00 0.00 C ATOM 394 O ASP A 23 12.027 -4.027 0.633 1.00 0.00 O ATOM 395 CB ASP A 23 14.834 -3.116 0.578 1.00 0.00 C ATOM 396 CG ASP A 23 15.651 -3.748 1.688 1.00 0.00 C ATOM 397 OD1 ASP A 23 16.626 -4.461 1.376 1.00 0.00 O ATOM 398 OD2 ASP A 23 15.314 -3.527 2.871 1.00 0.00 O ATOM 0 H ASP A 23 13.510 -2.620 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 23 14.928 -4.963 -0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.470 -2.448 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.044 -2.505 1.014 1.00 0.00 H new ATOM 403 N ASP A 24 12.951 -6.069 0.448 1.00 0.00 N ATOM 404 CA ASP A 24 11.816 -6.760 1.049 1.00 0.00 C ATOM 405 C ASP A 24 11.664 -6.380 2.521 1.00 0.00 C ATOM 406 O ASP A 24 10.557 -6.357 3.055 1.00 0.00 O ATOM 407 CB ASP A 24 11.989 -8.274 0.921 1.00 0.00 C ATOM 408 CG ASP A 24 13.295 -8.761 1.517 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.345 -8.588 0.864 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.268 -9.314 2.636 1.00 0.00 O ATOM 0 H ASP A 24 13.717 -6.682 0.169 1.00 0.00 H new ATOM 0 HA ASP A 24 10.915 -6.456 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.158 -8.775 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.947 -8.554 -0.132 1.00 0.00 H new ATOM 415 N SER A 25 12.788 -6.088 3.169 1.00 0.00 N ATOM 416 CA SER A 25 12.784 -5.713 4.579 1.00 0.00 C ATOM 417 C SER A 25 11.884 -4.506 4.826 1.00 0.00 C ATOM 418 O SER A 25 11.212 -4.421 5.854 1.00 0.00 O ATOM 419 CB SER A 25 14.207 -5.404 5.047 1.00 0.00 C ATOM 420 OG SER A 25 14.316 -5.513 6.456 1.00 0.00 O ATOM 0 H SER A 25 13.713 -6.104 2.740 1.00 0.00 H new ATOM 0 HA SER A 25 12.391 -6.555 5.149 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.907 -6.091 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.485 -4.398 4.734 1.00 0.00 H new ATOM 0 HG SER A 25 15.235 -5.312 6.729 1.00 0.00 H new ATOM 426 N VAL A 26 11.878 -3.573 3.880 1.00 0.00 N ATOM 427 CA VAL A 26 11.061 -2.370 3.999 1.00 0.00 C ATOM 428 C VAL A 26 9.578 -2.717 4.092 1.00 0.00 C ATOM 429 O VAL A 26 8.820 -2.054 4.800 1.00 0.00 O ATOM 430 CB VAL A 26 11.284 -1.419 2.807 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.486 -0.135 2.986 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.765 -1.112 2.636 1.00 0.00 C ATOM 0 H VAL A 26 12.429 -3.626 3.023 1.00 0.00 H new ATOM 0 HA VAL A 26 11.370 -1.868 4.916 1.00 0.00 H new ATOM 0 HB VAL A 26 10.931 -1.916 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.658 0.522 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.424 -0.373 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.804 0.366 3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.902 -0.439 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.145 -0.638 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.310 -2.038 2.455 1.00 0.00 H new ATOM 442 N LEU A 27 9.172 -3.757 3.374 1.00 0.00 N ATOM 443 CA LEU A 27 7.777 -4.188 3.374 1.00 0.00 C ATOM 444 C LEU A 27 7.367 -4.699 4.755 1.00 0.00 C ATOM 445 O LEU A 27 6.221 -4.534 5.172 1.00 0.00 O ATOM 446 CB LEU A 27 7.556 -5.275 2.312 1.00 0.00 C ATOM 447 CG LEU A 27 7.781 -6.716 2.781 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.465 -7.353 3.199 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.443 -7.536 1.685 1.00 0.00 C ATOM 0 H LEU A 27 9.787 -4.318 2.784 1.00 0.00 H new ATOM 0 HA LEU A 27 7.152 -3.329 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.536 -5.189 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.222 -5.077 1.472 1.00 0.00 H new ATOM 0 HG LEU A 27 8.444 -6.696 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.645 -8.376 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.027 -6.780 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.779 -7.360 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.595 -8.557 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.804 -7.547 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.406 -7.093 1.430 1.00 0.00 H new ATOM 461 N ASN A 28 8.311 -5.320 5.455 1.00 0.00 N ATOM 462 CA ASN A 28 8.048 -5.857 6.786 1.00 0.00 C ATOM 463 C ASN A 28 7.753 -4.743 7.788 1.00 0.00 C ATOM 464 O ASN A 28 7.257 -5.004 8.883 1.00 0.00 O ATOM 465 CB ASN A 28 9.241 -6.686 7.266 1.00 0.00 C ATOM 466 CG ASN A 28 8.821 -7.835 8.163 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.800 -7.761 8.847 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.608 -8.903 8.163 1.00 0.00 N ATOM 0 H ASN A 28 9.265 -5.464 5.123 1.00 0.00 H new ATOM 0 HA ASN A 28 7.167 -6.495 6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.778 -7.080 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.935 -6.041 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.376 -9.707 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.445 -8.920 7.580 1.00 0.00 H new ATOM 475 N GLU A 29 8.061 -3.504 7.412 1.00 0.00 N ATOM 476 CA GLU A 29 7.826 -2.363 8.288 1.00 0.00 C ATOM 477 C GLU A 29 6.435 -1.774 8.063 1.00 0.00 C ATOM 478 O GLU A 29 5.804 -1.276 8.996 1.00 0.00 O ATOM 479 CB GLU A 29 8.887 -1.287 8.052 1.00 0.00 C ATOM 480 CG GLU A 29 10.235 -1.615 8.674 1.00 0.00 C ATOM 481 CD GLU A 29 10.820 -0.451 9.450 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.456 0.421 8.822 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.643 -0.411 10.686 1.00 0.00 O ATOM 0 H GLU A 29 8.472 -3.267 6.509 1.00 0.00 H new ATOM 0 HA GLU A 29 7.890 -2.713 9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.016 -1.145 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.529 -0.341 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.125 -2.471 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.931 -1.909 7.889 1.00 0.00 H new ATOM 490 N VAL A 30 5.968 -1.825 6.821 1.00 0.00 N ATOM 491 CA VAL A 30 4.654 -1.291 6.478 1.00 0.00 C ATOM 492 C VAL A 30 3.564 -2.355 6.598 1.00 0.00 C ATOM 493 O VAL A 30 2.476 -2.083 7.107 1.00 0.00 O ATOM 494 CB VAL A 30 4.643 -0.700 5.053 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.008 -1.759 4.024 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.290 -0.081 4.735 1.00 0.00 C ATOM 0 H VAL A 30 6.478 -2.230 6.036 1.00 0.00 H new ATOM 0 HA VAL A 30 4.443 -0.495 7.193 1.00 0.00 H new ATOM 0 HB VAL A 30 5.395 0.088 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.993 -1.318 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.006 -2.144 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.287 -2.575 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.306 0.329 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.515 -0.845 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.078 0.716 5.447 1.00 0.00 H new ATOM 506 N ILE A 31 3.853 -3.559 6.116 1.00 0.00 N ATOM 507 CA ILE A 31 2.886 -4.652 6.159 1.00 0.00 C ATOM 508 C ILE A 31 2.515 -5.020 7.595 1.00 0.00 C ATOM 509 O ILE A 31 1.341 -5.000 7.964 1.00 0.00 O ATOM 510 CB ILE A 31 3.421 -5.905 5.424 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.004 -5.868 3.953 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.926 -7.190 6.083 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.666 -4.761 3.165 1.00 0.00 C ATOM 0 H ILE A 31 4.748 -3.803 5.691 1.00 0.00 H new ATOM 0 HA ILE A 31 1.990 -4.299 5.649 1.00 0.00 H new ATOM 0 HB ILE A 31 4.509 -5.896 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.245 -6.826 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.922 -5.749 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.320 -8.051 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.268 -7.223 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.837 -7.214 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.324 -4.796 2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.405 -3.797 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.748 -4.891 3.193 1.00 0.00 H new ATOM 525 N LEU A 32 3.516 -5.378 8.394 1.00 0.00 N ATOM 526 CA LEU A 32 3.279 -5.775 9.781 1.00 0.00 C ATOM 527 C LEU A 32 2.401 -4.766 10.520 1.00 0.00 C ATOM 528 O LEU A 32 1.790 -5.107 11.529 1.00 0.00 O ATOM 529 CB LEU A 32 4.607 -5.975 10.522 1.00 0.00 C ATOM 530 CG LEU A 32 5.189 -4.727 11.194 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.530 -5.045 11.834 1.00 0.00 C ATOM 532 CD2 LEU A 32 5.330 -3.598 10.187 1.00 0.00 C ATOM 0 H LEU A 32 4.495 -5.402 8.108 1.00 0.00 H new ATOM 0 HA LEU A 32 2.742 -6.724 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.465 -6.742 11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.342 -6.360 9.815 1.00 0.00 H new ATOM 0 HG LEU A 32 4.503 -4.404 11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.929 -4.148 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.399 -5.824 12.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.225 -5.392 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.745 -2.719 10.681 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.995 -3.910 9.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.351 -3.354 9.775 1.00 0.00 H new ATOM 544 N THR A 33 2.344 -3.531 10.022 1.00 0.00 N ATOM 545 CA THR A 33 1.535 -2.491 10.653 1.00 0.00 C ATOM 546 C THR A 33 0.117 -2.472 10.085 1.00 0.00 C ATOM 547 O THR A 33 -0.841 -2.175 10.798 1.00 0.00 O ATOM 548 CB THR A 33 2.188 -1.119 10.463 1.00 0.00 C ATOM 549 OG1 THR A 33 3.488 -1.097 11.025 1.00 0.00 O ATOM 550 CG2 THR A 33 1.402 0.011 11.094 1.00 0.00 C ATOM 0 H THR A 33 2.846 -3.228 9.187 1.00 0.00 H new ATOM 0 HA THR A 33 1.475 -2.717 11.718 1.00 0.00 H new ATOM 0 HB THR A 33 2.220 -0.965 9.384 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.155 -1.144 10.308 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.920 0.955 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.408 0.056 10.648 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.311 -0.163 12.166 1.00 0.00 H new ATOM 558 N LEU A 34 -0.007 -2.776 8.796 1.00 0.00 N ATOM 559 CA LEU A 34 -1.308 -2.779 8.133 1.00 0.00 C ATOM 560 C LEU A 34 -2.018 -4.121 8.291 1.00 0.00 C ATOM 561 O LEU A 34 -3.247 -4.181 8.320 1.00 0.00 O ATOM 562 CB LEU A 34 -1.138 -2.458 6.646 1.00 0.00 C ATOM 563 CG LEU A 34 -0.476 -1.112 6.345 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.365 -0.898 4.844 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.257 0.022 6.992 1.00 0.00 C ATOM 0 H LEU A 34 0.776 -3.023 8.191 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.923 -2.014 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.545 -3.248 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.119 -2.477 6.171 1.00 0.00 H new ATOM 0 HG LEU A 34 0.529 -1.119 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.108 0.064 4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.237 -1.694 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.360 -0.910 4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.772 0.972 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.274 0.033 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.285 -0.125 8.072 1.00 0.00 H new ATOM 577 N ARG A 35 -1.242 -5.195 8.380 1.00 0.00 N ATOM 578 CA ARG A 35 -1.804 -6.534 8.520 1.00 0.00 C ATOM 579 C ARG A 35 -1.941 -6.940 9.987 1.00 0.00 C ATOM 580 O ARG A 35 -2.030 -8.128 10.298 1.00 0.00 O ATOM 581 CB ARG A 35 -0.930 -7.550 7.784 1.00 0.00 C ATOM 582 CG ARG A 35 -0.887 -7.336 6.280 1.00 0.00 C ATOM 583 CD ARG A 35 -0.968 -8.656 5.525 1.00 0.00 C ATOM 584 NE ARG A 35 -1.822 -8.560 4.342 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.398 -8.150 3.149 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.134 -7.787 2.972 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.244 -8.102 2.129 1.00 0.00 N ATOM 0 H ARG A 35 -0.223 -5.165 8.358 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.801 -6.520 8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.084 -7.499 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.302 -8.554 7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.714 -6.693 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.034 -6.818 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.034 -8.964 5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.354 -9.430 6.189 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.803 -8.823 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.521 -7.821 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.183 -7.474 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.217 -8.379 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.922 -7.788 1.214 1.00 0.00 H new ATOM 601 N LYS A 36 -1.950 -5.960 10.885 1.00 0.00 N ATOM 602 CA LYS A 36 -2.072 -6.246 12.310 1.00 0.00 C ATOM 603 C LYS A 36 -3.389 -5.722 12.883 1.00 0.00 C ATOM 604 O LYS A 36 -4.119 -6.467 13.536 1.00 0.00 O ATOM 605 CB LYS A 36 -0.883 -5.668 13.073 1.00 0.00 C ATOM 606 CG LYS A 36 -0.606 -4.206 12.781 1.00 0.00 C ATOM 607 CD LYS A 36 -0.160 -3.489 14.037 1.00 0.00 C ATOM 608 CE LYS A 36 1.355 -3.374 14.109 1.00 0.00 C ATOM 609 NZ LYS A 36 1.850 -3.432 15.512 1.00 0.00 N ATOM 0 H LYS A 36 -1.875 -4.969 10.654 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.073 -7.329 12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.060 -5.786 14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.007 -6.250 12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.164 -4.122 12.014 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.504 -3.732 12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.603 -2.493 14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.527 -4.025 14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.808 -4.179 13.531 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.670 -2.436 13.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.887 -3.350 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.438 -2.649 16.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.572 -4.337 15.941 1.00 0.00 H new ATOM 623 N LYS A 37 -3.690 -4.444 12.626 1.00 0.00 N ATOM 624 CA LYS A 37 -4.923 -3.807 13.107 1.00 0.00 C ATOM 625 C LYS A 37 -4.740 -2.298 13.249 1.00 0.00 C ATOM 626 O LYS A 37 -5.715 -1.547 13.275 1.00 0.00 O ATOM 627 CB LYS A 37 -5.368 -4.384 14.456 1.00 0.00 C ATOM 628 CG LYS A 37 -4.241 -4.499 15.473 1.00 0.00 C ATOM 629 CD LYS A 37 -4.268 -5.838 16.195 1.00 0.00 C ATOM 630 CE LYS A 37 -4.826 -5.704 17.603 1.00 0.00 C ATOM 631 NZ LYS A 37 -6.238 -6.169 17.688 1.00 0.00 N ATOM 0 H LYS A 37 -3.090 -3.824 12.082 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.693 -4.012 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.155 -3.754 14.869 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.802 -5.371 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.282 -4.377 14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.324 -3.692 16.201 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.874 -6.545 15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.259 -6.248 16.240 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.211 -6.282 18.293 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.767 -4.662 17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.581 -6.061 18.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.830 -5.601 17.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.291 -7.170 17.411 1.00 0.00 H new ATOM 645 N GLU A 38 -3.488 -1.857 13.350 1.00 0.00 N ATOM 646 CA GLU A 38 -3.185 -0.438 13.499 1.00 0.00 C ATOM 647 C GLU A 38 -3.619 0.352 12.264 1.00 0.00 C ATOM 648 O GLU A 38 -3.036 0.206 11.190 1.00 0.00 O ATOM 649 CB GLU A 38 -1.687 -0.241 13.742 1.00 0.00 C ATOM 650 CG GLU A 38 -1.286 1.213 13.931 1.00 0.00 C ATOM 651 CD GLU A 38 0.186 1.451 13.658 1.00 0.00 C ATOM 652 OE1 GLU A 38 1.013 0.621 14.092 1.00 0.00 O ATOM 653 OE2 GLU A 38 0.513 2.467 13.010 1.00 0.00 O ATOM 0 H GLU A 38 -2.668 -2.463 13.331 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.742 -0.064 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.393 -0.808 14.626 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.133 -0.655 12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.881 1.840 13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.517 1.520 14.951 1.00 0.00 H new ATOM 660 N PRO A 39 -4.650 1.208 12.400 1.00 0.00 N ATOM 661 CA PRO A 39 -5.149 2.021 11.290 1.00 0.00 C ATOM 662 C PRO A 39 -4.274 3.242 11.029 1.00 0.00 C ATOM 663 O PRO A 39 -3.929 3.977 11.954 1.00 0.00 O ATOM 664 CB PRO A 39 -6.533 2.447 11.775 1.00 0.00 C ATOM 665 CG PRO A 39 -6.400 2.520 13.257 1.00 0.00 C ATOM 666 CD PRO A 39 -5.407 1.455 13.645 1.00 0.00 C ATOM 0 HA PRO A 39 -5.158 1.475 10.347 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.823 3.410 11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.297 1.727 11.480 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.055 3.506 13.568 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.361 2.351 13.743 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.754 1.791 14.450 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.906 0.552 13.996 1.00 0.00 H new ATOM 674 N LEU A 40 -3.918 3.453 9.767 1.00 0.00 N ATOM 675 CA LEU A 40 -3.083 4.586 9.390 1.00 0.00 C ATOM 676 C LEU A 40 -3.750 5.905 9.770 1.00 0.00 C ATOM 677 O LEU A 40 -4.937 5.939 10.099 1.00 0.00 O ATOM 678 CB LEU A 40 -2.795 4.558 7.888 1.00 0.00 C ATOM 679 CG LEU A 40 -2.205 3.246 7.367 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.594 3.026 5.913 1.00 0.00 C ATOM 681 CD2 LEU A 40 -0.691 3.243 7.525 1.00 0.00 C ATOM 0 H LEU A 40 -4.195 2.855 8.989 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.141 4.508 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.722 4.760 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.106 5.368 7.650 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.613 2.425 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.165 2.088 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.680 2.983 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.216 3.849 5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.288 2.302 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.265 4.072 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.435 3.352 8.579 1.00 0.00 H new ATOM 693 N ASP A 41 -2.981 6.988 9.725 1.00 0.00 N ATOM 694 CA ASP A 41 -3.500 8.307 10.068 1.00 0.00 C ATOM 695 C ASP A 41 -3.637 9.184 8.825 1.00 0.00 C ATOM 696 O ASP A 41 -3.056 8.889 7.780 1.00 0.00 O ATOM 697 CB ASP A 41 -2.583 8.988 11.085 1.00 0.00 C ATOM 698 CG ASP A 41 -3.018 8.735 12.516 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.724 7.733 12.753 1.00 0.00 O ATOM 700 OD2 ASP A 41 -2.653 9.539 13.398 1.00 0.00 O ATOM 0 H ASP A 41 -1.998 6.978 9.455 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.489 8.176 10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.563 8.628 10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.570 10.061 10.897 1.00 0.00 H new ATOM 705 N PRO A 42 -4.410 10.280 8.924 1.00 0.00 N ATOM 706 CA PRO A 42 -4.619 11.204 7.804 1.00 0.00 C ATOM 707 C PRO A 42 -3.372 12.024 7.481 1.00 0.00 C ATOM 708 O PRO A 42 -3.298 12.667 6.434 1.00 0.00 O ATOM 709 CB PRO A 42 -5.742 12.115 8.303 1.00 0.00 C ATOM 710 CG PRO A 42 -5.621 12.084 9.788 1.00 0.00 C ATOM 711 CD PRO A 42 -5.136 10.704 10.136 1.00 0.00 C ATOM 0 HA PRO A 42 -4.856 10.675 6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.631 13.128 7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.718 11.755 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.922 12.843 10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.580 12.291 10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.485 10.716 11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.964 10.033 10.364 1.00 0.00 H new ATOM 719 N GLN A 43 -2.394 11.995 8.382 1.00 0.00 N ATOM 720 CA GLN A 43 -1.154 12.737 8.185 1.00 0.00 C ATOM 721 C GLN A 43 -0.173 11.960 7.304 1.00 0.00 C ATOM 722 O GLN A 43 0.950 12.408 7.072 1.00 0.00 O ATOM 723 CB GLN A 43 -0.503 13.049 9.535 1.00 0.00 C ATOM 724 CG GLN A 43 -1.161 14.202 10.275 1.00 0.00 C ATOM 725 CD GLN A 43 -0.197 14.934 11.188 1.00 0.00 C ATOM 726 OE1 GLN A 43 -0.211 14.743 12.404 1.00 0.00 O ATOM 727 NE2 GLN A 43 0.646 15.778 10.604 1.00 0.00 N ATOM 0 H GLN A 43 -2.436 11.467 9.254 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.402 13.670 7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.540 12.158 10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.550 13.284 9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.575 14.904 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.996 13.822 10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.622 15.905 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.318 16.299 11.167 1.00 0.00 H new ATOM 736 N PHE A 44 -0.600 10.797 6.814 1.00 0.00 N ATOM 737 CA PHE A 44 0.247 9.972 5.962 1.00 0.00 C ATOM 738 C PHE A 44 -0.030 10.239 4.484 1.00 0.00 C ATOM 739 O PHE A 44 0.277 9.410 3.627 1.00 0.00 O ATOM 740 CB PHE A 44 0.027 8.491 6.274 1.00 0.00 C ATOM 741 CG PHE A 44 0.695 8.039 7.543 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.182 8.402 8.778 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.835 7.253 7.499 1.00 0.00 C ATOM 744 CE1 PHE A 44 0.793 7.987 9.947 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.451 6.836 8.664 1.00 0.00 C ATOM 746 CZ PHE A 44 1.929 7.204 9.889 1.00 0.00 C ATOM 0 H PHE A 44 -1.526 10.408 6.993 1.00 0.00 H new ATOM 0 HA PHE A 44 1.285 10.233 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.043 8.299 6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.402 7.893 5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.705 9.016 8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.247 6.963 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.383 8.275 10.904 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.339 6.223 8.617 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.409 6.880 10.800 1.00 0.00 H new ATOM 756 N GLN A 45 -0.612 11.399 4.189 1.00 0.00 N ATOM 757 CA GLN A 45 -0.925 11.769 2.815 1.00 0.00 C ATOM 758 C GLN A 45 -1.903 10.778 2.190 1.00 0.00 C ATOM 759 O GLN A 45 -1.706 10.320 1.065 1.00 0.00 O ATOM 760 CB GLN A 45 0.355 11.839 1.978 1.00 0.00 C ATOM 761 CG GLN A 45 1.471 12.632 2.639 1.00 0.00 C ATOM 762 CD GLN A 45 1.035 14.027 3.043 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.553 14.803 2.218 1.00 0.00 O ATOM 764 NE2 GLN A 45 1.205 14.353 4.318 1.00 0.00 N ATOM 0 H GLN A 45 -0.876 12.097 4.884 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.395 12.752 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.707 10.826 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.124 12.289 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.820 12.095 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.316 12.704 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.609 13.678 4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.932 15.279 4.649 1.00 0.00 H new ATOM 773 N ASP A 46 -2.959 10.451 2.929 1.00 0.00 N ATOM 774 CA ASP A 46 -3.968 9.515 2.446 1.00 0.00 C ATOM 775 C ASP A 46 -5.071 10.246 1.688 1.00 0.00 C ATOM 776 O ASP A 46 -6.009 10.772 2.289 1.00 0.00 O ATOM 777 CB ASP A 46 -4.566 8.731 3.615 1.00 0.00 C ATOM 778 CG ASP A 46 -5.217 9.634 4.645 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.881 10.836 4.677 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.062 9.139 5.419 1.00 0.00 O ATOM 0 H ASP A 46 -3.138 10.820 3.863 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.484 8.819 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.305 8.026 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.782 8.144 4.094 1.00 0.00 H new ATOM 785 N HIS A 47 -4.954 10.276 0.364 1.00 0.00 N ATOM 786 CA HIS A 47 -5.941 10.944 -0.476 1.00 0.00 C ATOM 787 C HIS A 47 -6.002 10.304 -1.859 1.00 0.00 C ATOM 788 O HIS A 47 -5.302 9.329 -2.132 1.00 0.00 O ATOM 789 CB HIS A 47 -5.612 12.432 -0.605 1.00 0.00 C ATOM 790 CG HIS A 47 -4.261 12.697 -1.192 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.147 12.973 -0.429 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.846 12.727 -2.482 1.00 0.00 C ATOM 793 CE1 HIS A 47 -2.107 13.162 -1.221 1.00 0.00 C ATOM 794 NE2 HIS A 47 -2.505 13.016 -2.471 1.00 0.00 N ATOM 0 H HIS A 47 -4.185 9.845 -0.150 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.916 10.835 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.369 12.911 -1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.668 12.895 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.457 12.555 -3.356 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.103 13.396 -0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.911 13.104 -3.296 1.00 0.00 H new ATOM 803 N ALA A 48 -6.842 10.858 -2.726 1.00 0.00 N ATOM 804 CA ALA A 48 -6.993 10.339 -4.080 1.00 0.00 C ATOM 805 C ALA A 48 -5.967 10.957 -5.023 1.00 0.00 C ATOM 806 O ALA A 48 -5.825 12.177 -5.092 1.00 0.00 O ATOM 807 CB ALA A 48 -8.403 10.601 -4.589 1.00 0.00 C ATOM 0 H ALA A 48 -7.428 11.666 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.820 9.263 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.503 10.209 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.123 10.108 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.594 11.674 -4.595 1.00 0.00 H new ATOM 813 N LEU A 49 -5.251 10.104 -5.749 1.00 0.00 N ATOM 814 CA LEU A 49 -4.236 10.564 -6.689 1.00 0.00 C ATOM 815 C LEU A 49 -4.871 11.344 -7.837 1.00 0.00 C ATOM 816 O LEU A 49 -6.079 11.581 -7.845 1.00 0.00 O ATOM 817 CB LEU A 49 -3.444 9.378 -7.241 1.00 0.00 C ATOM 818 CG LEU A 49 -2.772 8.501 -6.182 1.00 0.00 C ATOM 819 CD1 LEU A 49 -3.682 7.349 -5.788 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.437 7.976 -6.693 1.00 0.00 C ATOM 0 H LEU A 49 -5.355 9.090 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.557 11.227 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.115 8.756 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.678 9.755 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.587 9.111 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.188 6.736 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.613 7.744 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.899 6.740 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.973 7.354 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.600 7.382 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.781 8.815 -6.926 1.00 0.00 H new ATOM 832 N LYS A 50 -4.049 11.739 -8.803 1.00 0.00 N ATOM 833 CA LYS A 50 -4.531 12.491 -9.955 1.00 0.00 C ATOM 834 C LYS A 50 -4.311 11.709 -11.246 1.00 0.00 C ATOM 835 O LYS A 50 -3.502 10.781 -11.292 1.00 0.00 O ATOM 836 CB LYS A 50 -3.821 13.844 -10.042 1.00 0.00 C ATOM 837 CG LYS A 50 -3.763 14.588 -8.716 1.00 0.00 C ATOM 838 CD LYS A 50 -2.528 15.468 -8.625 1.00 0.00 C ATOM 839 CE LYS A 50 -1.252 14.645 -8.684 1.00 0.00 C ATOM 840 NZ LYS A 50 -0.080 15.398 -8.157 1.00 0.00 N ATOM 0 H LYS A 50 -3.047 11.551 -8.811 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.601 12.656 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.806 13.689 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.332 14.467 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.657 15.201 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.761 13.871 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.534 16.191 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.553 16.037 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.384 13.729 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.059 14.348 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.770 14.802 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.062 16.259 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.253 15.659 -7.165 1.00 0.00 H new ATOM 854 N GLY A 51 -5.034 12.090 -12.293 1.00 0.00 N ATOM 855 CA GLY A 51 -4.901 11.415 -13.571 1.00 0.00 C ATOM 856 C GLY A 51 -5.838 10.231 -13.704 1.00 0.00 C ATOM 857 O GLY A 51 -7.059 10.393 -13.695 1.00 0.00 O ATOM 0 H GLY A 51 -5.710 12.854 -12.280 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.100 12.124 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.872 11.075 -13.693 1.00 0.00 H new ATOM 861 N LYS A 52 -5.267 9.038 -13.829 1.00 0.00 N ATOM 862 CA LYS A 52 -6.059 7.819 -13.966 1.00 0.00 C ATOM 863 C LYS A 52 -6.221 7.108 -12.623 1.00 0.00 C ATOM 864 O LYS A 52 -7.065 6.224 -12.480 1.00 0.00 O ATOM 865 CB LYS A 52 -5.407 6.879 -14.984 1.00 0.00 C ATOM 866 CG LYS A 52 -6.293 6.573 -16.183 1.00 0.00 C ATOM 867 CD LYS A 52 -6.624 5.092 -16.273 1.00 0.00 C ATOM 868 CE LYS A 52 -5.527 4.315 -16.986 1.00 0.00 C ATOM 869 NZ LYS A 52 -4.871 3.328 -16.086 1.00 0.00 N ATOM 0 H LYS A 52 -4.258 8.888 -13.838 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.051 8.100 -14.320 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.476 7.325 -15.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.145 5.944 -14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.216 7.149 -16.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.791 6.890 -17.097 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.764 4.688 -15.270 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.567 4.961 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.950 3.797 -17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.780 5.010 -17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.130 2.820 -16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.445 3.825 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.579 2.649 -15.741 1.00 0.00 H new ATOM 883 N TRP A 53 -5.408 7.496 -11.643 1.00 0.00 N ATOM 884 CA TRP A 53 -5.470 6.887 -10.318 1.00 0.00 C ATOM 885 C TRP A 53 -6.327 7.722 -9.370 1.00 0.00 C ATOM 886 O TRP A 53 -6.083 7.751 -8.163 1.00 0.00 O ATOM 887 CB TRP A 53 -4.061 6.729 -9.741 1.00 0.00 C ATOM 888 CG TRP A 53 -3.104 6.067 -10.684 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.869 6.517 -11.050 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.304 4.833 -11.383 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.288 5.638 -11.932 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.150 4.597 -12.152 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.348 3.903 -11.431 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.011 3.471 -12.962 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.209 2.787 -12.235 1.00 0.00 C ATOM 896 CH2 TRP A 53 -3.048 2.579 -12.990 1.00 0.00 C ATOM 0 H TRP A 53 -4.702 8.226 -11.741 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.929 5.904 -10.421 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.674 7.712 -9.472 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.116 6.146 -8.822 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.414 7.431 -10.698 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.365 5.744 -12.354 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.246 4.054 -10.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.117 3.309 -13.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.009 2.063 -12.282 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.970 1.696 -13.607 1.00 0.00 H new ATOM 907 N LYS A 54 -7.330 8.397 -9.922 1.00 0.00 N ATOM 908 CA LYS A 54 -8.222 9.228 -9.121 1.00 0.00 C ATOM 909 C LYS A 54 -9.209 8.371 -8.334 1.00 0.00 C ATOM 910 O LYS A 54 -9.348 8.527 -7.121 1.00 0.00 O ATOM 911 CB LYS A 54 -8.977 10.213 -10.017 1.00 0.00 C ATOM 912 CG LYS A 54 -8.918 11.650 -9.527 1.00 0.00 C ATOM 913 CD LYS A 54 -9.811 12.559 -10.355 1.00 0.00 C ATOM 914 CE LYS A 54 -9.968 13.926 -9.709 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.241 14.035 -8.944 1.00 0.00 N ATOM 0 H LYS A 54 -7.545 8.385 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.615 9.788 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.564 10.164 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.020 9.904 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.224 11.692 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.890 12.009 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.389 12.674 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.791 12.097 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.126 14.111 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.940 14.697 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.311 14.982 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.046 13.884 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.257 13.316 -8.193 1.00 0.00 H new ATOM 929 N PRO A 55 -9.910 7.448 -9.015 1.00 0.00 N ATOM 930 CA PRO A 55 -10.886 6.564 -8.366 1.00 0.00 C ATOM 931 C PRO A 55 -10.288 5.803 -7.185 1.00 0.00 C ATOM 932 O PRO A 55 -11.016 5.296 -6.332 1.00 0.00 O ATOM 933 CB PRO A 55 -11.284 5.591 -9.480 1.00 0.00 C ATOM 934 CG PRO A 55 -11.004 6.324 -10.746 1.00 0.00 C ATOM 935 CD PRO A 55 -9.810 7.191 -10.464 1.00 0.00 C ATOM 0 HA PRO A 55 -11.724 7.123 -7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.708 4.667 -9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.336 5.316 -9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.799 5.631 -11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.862 6.926 -11.047 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.878 6.687 -10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.840 8.116 -11.039 1.00 0.00 H new ATOM 943 N PHE A 56 -8.961 5.726 -7.139 1.00 0.00 N ATOM 944 CA PHE A 56 -8.273 5.025 -6.061 1.00 0.00 C ATOM 945 C PHE A 56 -7.778 6.004 -5.001 1.00 0.00 C ATOM 946 O PHE A 56 -7.893 7.219 -5.161 1.00 0.00 O ATOM 947 CB PHE A 56 -7.098 4.220 -6.617 1.00 0.00 C ATOM 948 CG PHE A 56 -7.478 3.303 -7.744 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.298 2.208 -7.519 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.016 3.536 -9.031 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.649 1.364 -8.552 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.365 2.694 -10.070 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.183 1.606 -9.829 1.00 0.00 C ATOM 0 H PHE A 56 -8.342 6.140 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.984 4.343 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.328 4.909 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.659 3.631 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.667 2.013 -6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.376 4.385 -9.223 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.288 0.514 -8.362 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.999 2.886 -11.068 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.457 0.946 -10.639 1.00 0.00 H new ATOM 963 N ARG A 57 -7.224 5.467 -3.919 1.00 0.00 N ATOM 964 CA ARG A 57 -6.708 6.292 -2.832 1.00 0.00 C ATOM 965 C ARG A 57 -5.278 5.896 -2.481 1.00 0.00 C ATOM 966 O ARG A 57 -4.970 4.715 -2.326 1.00 0.00 O ATOM 967 CB ARG A 57 -7.604 6.163 -1.598 1.00 0.00 C ATOM 968 CG ARG A 57 -7.252 7.144 -0.489 1.00 0.00 C ATOM 969 CD ARG A 57 -8.405 8.089 -0.193 1.00 0.00 C ATOM 970 NE ARG A 57 -9.649 7.368 0.074 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.707 7.912 0.671 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.677 9.178 1.066 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.797 7.186 0.874 1.00 0.00 N ATOM 0 H ARG A 57 -7.121 4.463 -3.771 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.707 7.330 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.642 6.318 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.531 5.147 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.990 6.594 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.373 7.720 -0.777 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.154 8.709 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.550 8.761 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.709 6.391 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.840 9.740 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.491 9.589 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.824 6.212 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.609 7.601 1.331 1.00 0.00 H new ATOM 987 N GLU A 58 -4.407 6.893 -2.359 1.00 0.00 N ATOM 988 CA GLU A 58 -3.008 6.649 -2.030 1.00 0.00 C ATOM 989 C GLU A 58 -2.762 6.802 -0.532 1.00 0.00 C ATOM 990 O GLU A 58 -3.648 7.224 0.213 1.00 0.00 O ATOM 991 CB GLU A 58 -2.107 7.610 -2.809 1.00 0.00 C ATOM 992 CG GLU A 58 -0.878 6.942 -3.406 1.00 0.00 C ATOM 993 CD GLU A 58 0.226 7.931 -3.724 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.094 9.086 -4.078 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.411 7.552 -3.618 1.00 0.00 O ATOM 0 H GLU A 58 -4.646 7.877 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.768 5.624 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.686 8.069 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.787 8.414 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.501 6.194 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.162 6.415 -4.317 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.555 6.457 -0.099 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.188 6.554 1.310 1.00 0.00 C ATOM 1004 C CYS A 59 0.309 6.330 1.492 1.00 0.00 C ATOM 1005 O CYS A 59 0.826 5.250 1.211 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.974 5.537 2.137 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.203 6.013 3.866 1.00 0.00 S ATOM 0 H CYS A 59 -0.812 6.107 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.435 7.557 1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.952 5.390 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.458 4.578 2.100 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.214 5.557 4.576 1.00 0.00 H new ATOM 1013 N HIS A 60 1.002 7.362 1.965 1.00 0.00 N ATOM 1014 CA HIS A 60 2.441 7.280 2.184 1.00 0.00 C ATOM 1015 C HIS A 60 2.755 6.760 3.583 1.00 0.00 C ATOM 1016 O HIS A 60 2.987 7.538 4.507 1.00 0.00 O ATOM 1017 CB HIS A 60 3.084 8.653 1.985 1.00 0.00 C ATOM 1018 CG HIS A 60 2.830 9.241 0.631 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.545 10.308 0.128 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.933 8.908 -0.328 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.099 10.606 -1.079 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.122 9.770 -1.380 1.00 0.00 N ATOM 0 H HIS A 60 0.590 8.264 2.204 1.00 0.00 H new ATOM 0 HA HIS A 60 2.853 6.580 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.706 9.336 2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.160 8.568 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.205 8.112 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.470 11.398 -1.712 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.594 9.765 -2.252 1.00 0.00 H new ATOM 1031 N ILE A 61 2.766 5.439 3.730 1.00 0.00 N ATOM 1032 CA ILE A 61 3.058 4.816 5.016 1.00 0.00 C ATOM 1033 C ILE A 61 4.441 5.226 5.517 1.00 0.00 C ATOM 1034 O ILE A 61 4.691 5.261 6.722 1.00 0.00 O ATOM 1035 CB ILE A 61 2.981 3.278 4.926 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.601 2.844 4.424 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.282 2.647 6.281 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.597 2.386 2.982 1.00 0.00 C ATOM 0 H ILE A 61 2.576 4.780 2.975 1.00 0.00 H new ATOM 0 HA ILE A 61 2.303 5.163 5.721 1.00 0.00 H new ATOM 0 HB ILE A 61 3.732 2.934 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.232 2.035 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.905 3.676 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.223 1.562 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.284 2.933 6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.554 2.995 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.587 2.094 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.935 3.200 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.267 1.533 2.869 1.00 0.00 H new ATOM 1050 N LYS A 62 5.333 5.535 4.584 1.00 0.00 N ATOM 1051 CA LYS A 62 6.691 5.943 4.923 1.00 0.00 C ATOM 1052 C LYS A 62 7.148 7.087 4.020 1.00 0.00 C ATOM 1053 O LYS A 62 6.492 7.402 3.027 1.00 0.00 O ATOM 1054 CB LYS A 62 7.647 4.756 4.793 1.00 0.00 C ATOM 1055 CG LYS A 62 7.260 3.567 5.659 1.00 0.00 C ATOM 1056 CD LYS A 62 8.415 3.118 6.540 1.00 0.00 C ATOM 1057 CE LYS A 62 8.321 1.637 6.868 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.683 0.784 5.700 1.00 0.00 N ATOM 0 H LYS A 62 5.139 5.511 3.583 1.00 0.00 H new ATOM 0 HA LYS A 62 6.699 6.292 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.681 4.440 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.653 5.079 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.407 3.833 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.944 2.740 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.360 3.321 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.416 3.697 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.982 1.408 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.307 1.400 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.063 -0.051 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.566 1.329 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.673 0.478 5.788 1.00 0.00 H new ATOM 1072 N PRO A 63 8.284 7.729 4.349 1.00 0.00 N ATOM 1073 CA PRO A 63 8.821 8.845 3.559 1.00 0.00 C ATOM 1074 C PRO A 63 9.294 8.417 2.172 1.00 0.00 C ATOM 1075 O PRO A 63 9.719 9.248 1.369 1.00 0.00 O ATOM 1076 CB PRO A 63 10.005 9.355 4.393 1.00 0.00 C ATOM 1077 CG PRO A 63 9.839 8.735 5.742 1.00 0.00 C ATOM 1078 CD PRO A 63 9.129 7.433 5.514 1.00 0.00 C ATOM 0 HA PRO A 63 8.057 9.601 3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.955 9.067 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.000 10.443 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.806 8.574 6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.262 9.384 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.827 6.620 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.537 7.137 6.380 1.00 0.00 H new ATOM 1086 N ASP A 64 9.217 7.123 1.895 1.00 0.00 N ATOM 1087 CA ASP A 64 9.635 6.589 0.605 1.00 0.00 C ATOM 1088 C ASP A 64 8.753 5.413 0.190 1.00 0.00 C ATOM 1089 O ASP A 64 9.199 4.510 -0.515 1.00 0.00 O ATOM 1090 CB ASP A 64 11.098 6.146 0.662 1.00 0.00 C ATOM 1091 CG ASP A 64 11.797 6.288 -0.677 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.744 7.391 -1.260 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.398 5.296 -1.140 1.00 0.00 O ATOM 0 H ASP A 64 8.868 6.421 2.548 1.00 0.00 H new ATOM 0 HA ASP A 64 9.530 7.380 -0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.626 6.739 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.148 5.107 0.987 1.00 0.00 H new ATOM 1098 N VAL A 65 7.498 5.432 0.633 1.00 0.00 N ATOM 1099 CA VAL A 65 6.557 4.368 0.307 1.00 0.00 C ATOM 1100 C VAL A 65 5.173 4.930 0.001 1.00 0.00 C ATOM 1101 O VAL A 65 4.788 5.980 0.517 1.00 0.00 O ATOM 1102 CB VAL A 65 6.438 3.347 1.453 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.535 2.191 1.052 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.811 2.839 1.859 1.00 0.00 C ATOM 0 H VAL A 65 7.111 6.173 1.218 1.00 0.00 H new ATOM 0 HA VAL A 65 6.948 3.866 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 65 5.989 3.847 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.465 1.481 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.541 2.571 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.951 1.691 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.707 2.118 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.288 2.358 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.424 3.676 2.193 1.00 0.00 H new ATOM 1114 N LEU A 66 4.430 4.219 -0.841 1.00 0.00 N ATOM 1115 CA LEU A 66 3.084 4.639 -1.218 1.00 0.00 C ATOM 1116 C LEU A 66 2.264 3.445 -1.699 1.00 0.00 C ATOM 1117 O LEU A 66 2.447 2.961 -2.817 1.00 0.00 O ATOM 1118 CB LEU A 66 3.126 5.718 -2.312 1.00 0.00 C ATOM 1119 CG LEU A 66 4.522 6.204 -2.716 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.537 6.617 -4.179 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.965 7.360 -1.827 1.00 0.00 C ATOM 0 H LEU A 66 4.737 3.349 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 66 2.609 5.063 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.627 5.329 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.547 6.577 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 66 5.226 5.382 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.536 6.960 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.265 5.764 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.821 7.424 -4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.958 7.691 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.261 8.186 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.993 7.030 -0.788 1.00 0.00 H new ATOM 1133 N LEU A 67 1.360 2.974 -0.846 1.00 0.00 N ATOM 1134 CA LEU A 67 0.512 1.837 -1.180 1.00 0.00 C ATOM 1135 C LEU A 67 -0.911 2.299 -1.494 1.00 0.00 C ATOM 1136 O LEU A 67 -1.602 2.843 -0.635 1.00 0.00 O ATOM 1137 CB LEU A 67 0.517 0.823 -0.025 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.800 0.080 0.219 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.184 -0.746 -0.998 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.690 -0.805 1.451 1.00 0.00 C ATOM 0 H LEU A 67 1.196 3.363 0.083 1.00 0.00 H new ATOM 0 HA LEU A 67 0.909 1.351 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.297 0.086 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.792 1.346 0.891 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.583 0.818 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.122 -1.266 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.304 -0.090 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.401 -1.476 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.634 -1.326 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.107 -1.534 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.464 -0.190 2.322 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.337 2.074 -2.734 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.675 2.463 -3.166 1.00 0.00 C ATOM 1154 C VAL A 68 -3.699 1.387 -2.826 1.00 0.00 C ATOM 1155 O VAL A 68 -3.415 0.193 -2.928 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.715 2.734 -4.683 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.074 3.276 -5.099 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.604 3.694 -5.082 1.00 0.00 C ATOM 0 H VAL A 68 -0.775 1.624 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.927 3.379 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.555 1.790 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.079 3.460 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.847 2.548 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.271 4.209 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.647 3.874 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.730 4.637 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.638 3.259 -4.826 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.890 1.814 -2.421 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.958 0.886 -2.067 1.00 0.00 C ATOM 1170 C TYR A 69 -7.323 1.469 -2.411 1.00 0.00 C ATOM 1171 O TYR A 69 -7.459 2.673 -2.633 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.894 0.549 -0.576 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.087 1.750 0.324 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.357 2.227 0.615 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.996 2.404 0.881 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.537 3.323 1.437 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.167 3.501 1.706 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.438 3.956 1.979 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.613 5.048 2.798 1.00 0.00 O ATOM 0 H TYR A 69 -5.140 2.799 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.819 -0.027 -2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.658 -0.193 -0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.929 0.092 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.219 1.733 0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.998 2.051 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.532 3.682 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.309 3.998 2.134 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.739 5.376 3.097 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.336 0.609 -2.454 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.694 1.038 -2.771 1.00 0.00 C ATOM 1191 C LEU A 70 -10.609 0.886 -1.559 1.00 0.00 C ATOM 1192 O LEU A 70 -10.332 0.095 -0.655 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.245 0.232 -3.950 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.873 1.066 -5.067 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.956 0.259 -6.353 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.253 1.556 -4.654 1.00 0.00 C ATOM 0 H LEU A 70 -8.242 -0.390 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.661 2.092 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.436 -0.364 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.993 -0.467 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.239 1.934 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.406 0.869 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.954 -0.043 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.568 -0.628 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.685 2.148 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.896 0.701 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.168 2.171 -3.758 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.700 1.646 -1.547 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.652 1.595 -0.444 1.00 0.00 C ATOM 1210 C VAL A 71 -13.976 0.980 -0.889 1.00 0.00 C ATOM 1211 O VAL A 71 -14.685 1.542 -1.722 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.922 2.998 0.131 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.757 2.905 1.400 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.612 3.725 0.398 1.00 0.00 C ATOM 0 H VAL A 71 -11.946 2.303 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.205 0.972 0.330 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.486 3.570 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.937 3.906 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.710 2.427 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.223 2.315 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.821 4.715 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.020 3.156 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.055 3.825 -0.534 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.302 -0.178 -0.323 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.541 -0.871 -0.656 1.00 0.00 C ATOM 1226 C LYS A 72 -16.686 -0.395 0.234 1.00 0.00 C ATOM 1227 O LYS A 72 -16.457 0.227 1.272 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.358 -2.385 -0.511 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.894 -3.177 -1.693 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.895 -4.235 -1.252 1.00 0.00 C ATOM 1231 CE LYS A 72 -17.841 -4.610 -2.379 1.00 0.00 C ATOM 1232 NZ LYS A 72 -18.150 -6.067 -2.384 1.00 0.00 N ATOM 0 H LYS A 72 -13.725 -0.656 0.369 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.791 -0.641 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.297 -2.605 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.860 -2.718 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.370 -2.498 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.066 -3.655 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.362 -5.123 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.468 -3.863 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.767 -4.043 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.397 -4.330 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.799 -6.282 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.270 -6.608 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.598 -6.330 -1.483 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.916 -0.691 -0.183 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.107 -0.292 0.569 1.00 0.00 C ATOM 1248 C ASP A 73 -18.925 -0.517 2.069 1.00 0.00 C ATOM 1249 O ASP A 73 -19.416 0.262 2.886 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.329 -1.068 0.074 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.045 -0.355 -1.058 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.179 0.885 -0.989 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.475 -1.038 -2.012 1.00 0.00 O ATOM 0 H ASP A 73 -18.115 -1.207 -1.040 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.261 0.774 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.017 -2.057 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -21.022 -1.217 0.902 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.219 -1.584 2.424 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.973 -1.906 3.824 1.00 0.00 C ATOM 1260 C ASP A 74 -16.727 -2.774 3.977 1.00 0.00 C ATOM 1261 O ASP A 74 -16.606 -3.539 4.933 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.185 -2.623 4.423 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.119 -1.674 5.149 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.635 -0.907 6.007 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -21.333 -1.698 4.859 1.00 0.00 O ATOM 0 H ASP A 74 -17.807 -2.241 1.761 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.808 -0.972 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.733 -3.130 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.843 -3.392 5.116 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.805 -2.651 3.026 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.569 -3.426 3.057 1.00 0.00 C ATOM 1272 C GLU A 75 -13.429 -2.652 2.404 1.00 0.00 C ATOM 1273 O GLU A 75 -13.658 -1.776 1.571 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.763 -4.765 2.340 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.715 -5.712 3.055 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.197 -6.838 2.163 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.492 -7.165 1.186 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.280 -7.395 2.443 1.00 0.00 O ATOM 0 H GLU A 75 -15.890 -2.024 2.226 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.312 -3.613 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.140 -4.577 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.794 -5.252 2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.215 -6.133 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.574 -5.150 3.420 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.198 -2.982 2.783 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.024 -2.318 2.229 1.00 0.00 C ATOM 1287 C LEU A 76 -10.196 -3.291 1.398 1.00 0.00 C ATOM 1288 O LEU A 76 -9.913 -4.407 1.833 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.167 -1.723 3.349 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.952 -0.920 2.878 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.349 0.515 2.570 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.850 -0.959 3.925 1.00 0.00 C ATOM 0 H LEU A 76 -11.988 -3.705 3.471 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.365 -1.511 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.795 -1.077 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.821 -2.533 3.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.571 -1.374 1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.473 1.071 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.105 0.523 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.755 0.981 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.994 -0.383 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.218 -0.530 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.547 -1.992 4.096 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.815 -2.866 0.198 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.025 -3.707 -0.692 1.00 0.00 C ATOM 1306 C ILE A 77 -7.757 -2.992 -1.153 1.00 0.00 C ATOM 1307 O ILE A 77 -7.810 -1.852 -1.614 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.842 -4.138 -1.928 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.134 -2.934 -2.828 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.138 -4.811 -1.499 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.152 -2.783 -3.970 1.00 0.00 C ATOM 0 H ILE A 77 -10.040 -1.946 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.746 -4.593 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.252 -4.856 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.141 -3.030 -3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.119 -2.027 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.703 -5.109 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.909 -5.692 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.731 -4.114 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.419 -1.911 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.146 -2.655 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.183 -3.674 -4.597 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.622 -3.672 -1.031 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.344 -3.103 -1.441 1.00 0.00 C ATOM 1325 C LEU A 78 -5.228 -3.082 -2.962 1.00 0.00 C ATOM 1326 O LEU A 78 -5.676 -4.006 -3.640 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.189 -3.904 -0.838 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.193 -3.998 0.688 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.963 -4.747 1.180 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.257 -2.611 1.306 1.00 0.00 C ATOM 0 H LEU A 78 -6.561 -4.617 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.292 -2.078 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.214 -4.913 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.249 -3.453 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.079 -4.553 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.983 -4.804 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.960 -5.754 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.064 -4.220 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.259 -2.697 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.390 -2.031 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.168 -2.109 0.980 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.629 -2.020 -3.492 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.464 -1.881 -4.934 1.00 0.00 C ATOM 1344 C LEU A 79 -3.062 -2.297 -5.371 1.00 0.00 C ATOM 1345 O LEU A 79 -2.873 -3.373 -5.939 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.747 -0.440 -5.365 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.835 -0.286 -6.428 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.444 -1.019 -7.703 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.168 -0.799 -5.904 1.00 0.00 C ATOM 0 H LEU A 79 -4.251 -1.246 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.180 -2.543 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.035 0.137 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.824 -0.002 -5.745 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.941 0.774 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.230 -0.898 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.512 -0.606 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.309 -2.079 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.931 -0.682 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.075 -1.853 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.454 -0.230 -5.019 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.081 -1.437 -5.112 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.700 -1.722 -5.488 1.00 0.00 C ATOM 1363 C ARG A 80 0.282 -1.125 -4.484 1.00 0.00 C ATOM 1364 O ARG A 80 -0.120 -0.491 -3.509 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.411 -1.177 -6.887 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.484 0.339 -6.978 1.00 0.00 C ATOM 1367 CD ARG A 80 0.884 0.951 -7.235 1.00 0.00 C ATOM 1368 NE ARG A 80 1.316 0.764 -8.618 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.884 1.505 -9.636 1.00 0.00 C ATOM 1370 NH1 ARG A 80 0.010 2.482 -9.431 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.329 1.269 -10.862 1.00 0.00 N ATOM 0 H ARG A 80 -2.216 -0.540 -4.645 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.569 -2.804 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.582 -1.504 -7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.123 -1.609 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.167 0.624 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.894 0.740 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.854 2.016 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.615 0.501 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 80 1.988 0.022 -8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.335 2.669 -8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.317 3.046 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.002 0.520 -11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.998 1.836 -11.643 1.00 0.00 H new ATOM 1385 N LEU A 81 1.570 -1.336 -4.732 1.00 0.00 N ATOM 1386 CA LEU A 81 2.617 -0.824 -3.855 1.00 0.00 C ATOM 1387 C LEU A 81 3.793 -0.294 -4.669 1.00 0.00 C ATOM 1388 O LEU A 81 4.243 -0.936 -5.619 1.00 0.00 O ATOM 1389 CB LEU A 81 3.089 -1.926 -2.901 1.00 0.00 C ATOM 1390 CG LEU A 81 4.221 -1.534 -1.943 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.561 -1.532 -2.664 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.948 -0.174 -1.313 1.00 0.00 C ATOM 0 H LEU A 81 1.915 -1.860 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 81 2.205 -0.001 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.236 -2.260 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.419 -2.779 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 81 4.264 -2.277 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.349 -1.251 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.763 -2.528 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.531 -0.816 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.763 0.084 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.872 0.581 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.013 -0.213 -0.755 1.00 0.00 H new ATOM 1404 N GLY A 82 4.290 0.880 -4.292 1.00 0.00 N ATOM 1405 CA GLY A 82 5.409 1.472 -5.000 1.00 0.00 C ATOM 1406 C GLY A 82 5.830 2.805 -4.413 1.00 0.00 C ATOM 1407 O GLY A 82 5.204 3.305 -3.479 1.00 0.00 O ATOM 0 H GLY A 82 3.938 1.431 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.255 0.785 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.140 1.609 -6.047 1.00 0.00 H new ATOM 1411 N SER A 83 6.896 3.380 -4.961 1.00 0.00 N ATOM 1412 CA SER A 83 7.403 4.663 -4.487 1.00 0.00 C ATOM 1413 C SER A 83 7.208 5.747 -5.543 1.00 0.00 C ATOM 1414 O SER A 83 6.761 5.470 -6.657 1.00 0.00 O ATOM 1415 CB SER A 83 8.885 4.548 -4.127 1.00 0.00 C ATOM 1416 OG SER A 83 9.116 3.447 -3.265 1.00 0.00 O ATOM 0 H SER A 83 7.426 2.977 -5.734 1.00 0.00 H new ATOM 0 HA SER A 83 6.840 4.942 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.475 4.433 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.218 5.467 -3.645 1.00 0.00 H new ATOM 0 HG SER A 83 9.152 3.760 -2.337 1.00 0.00 H new ATOM 1422 N HIS A 84 7.545 6.981 -5.186 1.00 0.00 N ATOM 1423 CA HIS A 84 7.407 8.106 -6.105 1.00 0.00 C ATOM 1424 C HIS A 84 8.245 7.888 -7.359 1.00 0.00 C ATOM 1425 O HIS A 84 7.878 8.329 -8.448 1.00 0.00 O ATOM 1426 CB HIS A 84 7.827 9.407 -5.417 1.00 0.00 C ATOM 1427 CG HIS A 84 7.328 10.637 -6.109 1.00 0.00 C ATOM 1428 ND1 HIS A 84 7.970 11.208 -7.188 1.00 0.00 N ATOM 1429 CD2 HIS A 84 6.240 11.408 -5.871 1.00 0.00 C ATOM 1430 CE1 HIS A 84 7.300 12.277 -7.582 1.00 0.00 C ATOM 1431 NE2 HIS A 84 6.246 12.418 -6.801 1.00 0.00 N ATOM 0 H HIS A 84 7.915 7.228 -4.268 1.00 0.00 H new ATOM 0 HA HIS A 84 6.359 8.179 -6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.458 9.402 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.915 9.446 -5.364 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.505 11.256 -5.094 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.569 12.925 -8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 84 5.548 13.158 -6.876 1.00 0.00 H new ATOM 1440 N SER A 85 9.371 7.203 -7.200 1.00 0.00 N ATOM 1441 CA SER A 85 10.262 6.923 -8.321 1.00 0.00 C ATOM 1442 C SER A 85 9.736 5.763 -9.163 1.00 0.00 C ATOM 1443 O SER A 85 10.098 5.620 -10.331 1.00 0.00 O ATOM 1444 CB SER A 85 11.668 6.602 -7.812 1.00 0.00 C ATOM 1445 OG SER A 85 11.948 7.301 -6.612 1.00 0.00 O ATOM 0 H SER A 85 9.690 6.831 -6.305 1.00 0.00 H new ATOM 0 HA SER A 85 10.303 7.813 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.760 5.529 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.403 6.869 -8.572 1.00 0.00 H new ATOM 0 HG SER A 85 12.852 7.077 -6.306 1.00 0.00 H new ATOM 1451 N GLU A 86 8.881 4.938 -8.566 1.00 0.00 N ATOM 1452 CA GLU A 86 8.309 3.793 -9.263 1.00 0.00 C ATOM 1453 C GLU A 86 7.006 4.176 -9.958 1.00 0.00 C ATOM 1454 O GLU A 86 6.814 3.891 -11.140 1.00 0.00 O ATOM 1455 CB GLU A 86 8.061 2.645 -8.283 1.00 0.00 C ATOM 1456 CG GLU A 86 8.471 1.285 -8.823 1.00 0.00 C ATOM 1457 CD GLU A 86 7.405 0.661 -9.701 1.00 0.00 C ATOM 1458 OE1 GLU A 86 6.716 1.411 -10.424 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.257 -0.580 -9.666 1.00 0.00 O ATOM 0 H GLU A 86 8.569 5.042 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 86 9.021 3.466 -10.021 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.609 2.841 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.002 2.620 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.393 1.388 -9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.686 0.617 -7.989 1.00 0.00 H new ATOM 1466 N LEU A 87 6.113 4.822 -9.216 1.00 0.00 N ATOM 1467 CA LEU A 87 4.828 5.243 -9.759 1.00 0.00 C ATOM 1468 C LEU A 87 4.961 6.560 -10.519 1.00 0.00 C ATOM 1469 O LEU A 87 4.367 6.736 -11.582 1.00 0.00 O ATOM 1470 CB LEU A 87 3.801 5.394 -8.635 1.00 0.00 C ATOM 1471 CG LEU A 87 3.851 4.306 -7.561 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.836 4.590 -6.466 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.603 2.938 -8.179 1.00 0.00 C ATOM 0 H LEU A 87 6.256 5.065 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 87 4.488 4.475 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.948 6.362 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.803 5.404 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 87 4.845 4.307 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.886 3.805 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.058 5.552 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.835 4.616 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.642 2.175 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.621 2.925 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.368 2.733 -8.927 1.00 0.00 H new ATOM 1485 N PHE A 88 5.744 7.480 -9.966 1.00 0.00 N ATOM 1486 CA PHE A 88 5.954 8.780 -10.591 1.00 0.00 C ATOM 1487 C PHE A 88 7.391 8.924 -11.079 1.00 0.00 C ATOM 1488 O PHE A 88 8.174 7.966 -10.905 1.00 0.00 O ATOM 1489 CB PHE A 88 5.621 9.900 -9.605 1.00 0.00 C ATOM 1490 CG PHE A 88 4.168 9.957 -9.229 1.00 0.00 C ATOM 1491 CD1 PHE A 88 3.229 10.461 -10.116 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.739 9.505 -7.991 1.00 0.00 C ATOM 1493 CE1 PHE A 88 1.891 10.515 -9.775 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.403 9.558 -7.644 1.00 0.00 C ATOM 1495 CZ PHE A 88 1.478 10.063 -8.536 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.723 9.995 -11.631 1.00 0.00 O ATOM 0 H PHE A 88 6.243 7.349 -9.086 1.00 0.00 H new ATOM 0 HA PHE A 88 5.290 8.854 -11.452 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.217 9.767 -8.702 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.913 10.855 -10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.547 10.816 -11.085 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.457 9.107 -7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.170 10.910 -10.475 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.082 9.205 -6.675 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.433 10.105 -8.266 1.00 0.00 H new TER 1506 PHE A 88