USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=13 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 161:sc= -2! (180deg=-3.18) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.346 K(o=-0.35,f=-4.8!) 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= -0.218 X(o=-0.22,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= -0.365 (180deg=-1.78!) USER MOD Single : A 20 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.011) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.1) USER MOD Single : A 33 THR OG1 : rot 103:sc= 0.244 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= -0.226 X(o=-0.23,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.205 K(o=-0.2,f=-1.2) 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+ -158:sc= -0.0358 (180deg=-0.227) USER MOD Single : A 59 CYS SG : rot -90:sc= -4.63! USER MOD Single : A 60 HIS :FLIP no HE2:sc= -2.44 F(o=-3.5,f=-2.4) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.0216 (180deg=-0.341) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.236) USER MOD Single : A 83 SER OG : rot -140:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.881 -1.160 12.438 1.00 0.00 N ATOM 2 CA MET A 1 -10.330 -2.552 12.170 1.00 0.00 C ATOM 3 C MET A 1 -11.177 -2.623 10.904 1.00 0.00 C ATOM 4 O MET A 1 -12.248 -2.020 10.827 1.00 0.00 O ATOM 5 CB MET A 1 -11.133 -3.045 13.374 1.00 0.00 C ATOM 6 CG MET A 1 -10.270 -3.469 14.550 1.00 0.00 C ATOM 7 SD MET A 1 -10.050 -5.255 14.644 1.00 0.00 S ATOM 8 CE MET A 1 -9.474 -5.612 12.986 1.00 0.00 C ATOM 0 H1 MET A 1 -9.307 -1.141 13.305 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.311 -0.819 11.638 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.711 -0.545 12.559 1.00 0.00 H new ATOM 0 HA MET A 1 -9.458 -3.187 12.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.809 -2.254 13.697 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.752 -3.888 13.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.294 -2.991 14.470 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.724 -3.114 15.475 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.980 -6.584 12.974 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.322 -5.627 12.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.769 -4.843 12.672 1.00 0.00 H new ATOM 20 N LEU A 2 -10.692 -3.365 9.914 1.00 0.00 N ATOM 21 CA LEU A 2 -11.407 -3.515 8.651 1.00 0.00 C ATOM 22 C LEU A 2 -10.846 -4.682 7.844 1.00 0.00 C ATOM 23 O LEU A 2 -9.863 -5.307 8.241 1.00 0.00 O ATOM 24 CB LEU A 2 -11.317 -2.225 7.834 1.00 0.00 C ATOM 25 CG LEU A 2 -9.932 -1.573 7.800 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.133 -2.084 6.612 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.057 -0.058 7.749 1.00 0.00 C ATOM 0 H LEU A 2 -9.808 -3.871 9.961 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.453 -3.722 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.626 -2.439 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.030 -1.507 8.239 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.401 -1.843 8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.151 -1.610 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.014 -3.165 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.660 -1.844 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.063 0.389 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.606 0.232 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.591 0.293 8.632 1.00 0.00 H new ATOM 39 N LYS A 3 -11.478 -4.970 6.711 1.00 0.00 N ATOM 40 CA LYS A 3 -11.043 -6.062 5.848 1.00 0.00 C ATOM 41 C LYS A 3 -9.943 -5.600 4.898 1.00 0.00 C ATOM 42 O LYS A 3 -9.883 -4.429 4.524 1.00 0.00 O ATOM 43 CB LYS A 3 -12.226 -6.610 5.049 1.00 0.00 C ATOM 44 CG LYS A 3 -12.051 -8.057 4.615 1.00 0.00 C ATOM 45 CD LYS A 3 -11.538 -8.153 3.188 1.00 0.00 C ATOM 46 CE LYS A 3 -12.538 -7.584 2.195 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.200 -8.654 1.398 1.00 0.00 N ATOM 0 H LYS A 3 -12.294 -4.462 6.369 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.642 -6.854 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.130 -6.527 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.375 -5.990 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.354 -8.558 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.004 -8.580 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.594 -7.615 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.334 -9.195 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.294 -7.010 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.029 -6.893 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.874 -8.225 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.481 -9.186 0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.707 -9.299 2.037 1.00 0.00 H new ATOM 61 N LEU A 4 -9.074 -6.529 4.513 1.00 0.00 N ATOM 62 CA LEU A 4 -7.976 -6.218 3.605 1.00 0.00 C ATOM 63 C LEU A 4 -7.998 -7.143 2.391 1.00 0.00 C ATOM 64 O LEU A 4 -8.235 -8.344 2.518 1.00 0.00 O ATOM 65 CB LEU A 4 -6.636 -6.344 4.333 1.00 0.00 C ATOM 66 CG LEU A 4 -5.436 -5.755 3.588 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.243 -4.293 3.963 1.00 0.00 C ATOM 68 CD2 LEU A 4 -4.178 -6.555 3.889 1.00 0.00 C ATOM 0 H LEU A 4 -9.109 -7.503 4.815 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.099 -5.191 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.719 -5.853 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.442 -7.399 4.526 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.631 -5.812 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.386 -3.889 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.137 -3.728 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.068 -4.213 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.334 -6.122 3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.978 -6.529 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.319 -7.588 3.572 1.00 0.00 H new ATOM 80 N ASN A 5 -7.748 -6.575 1.216 1.00 0.00 N ATOM 81 CA ASN A 5 -7.740 -7.348 -0.021 1.00 0.00 C ATOM 82 C ASN A 5 -6.367 -7.298 -0.683 1.00 0.00 C ATOM 83 O ASN A 5 -5.501 -6.518 -0.284 1.00 0.00 O ATOM 84 CB ASN A 5 -8.804 -6.819 -0.985 1.00 0.00 C ATOM 85 CG ASN A 5 -9.542 -7.933 -1.700 1.00 0.00 C ATOM 86 OD1 ASN A 5 -8.932 -8.767 -2.370 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.863 -7.952 -1.562 1.00 0.00 N ATOM 0 H ASN A 5 -7.548 -5.582 1.094 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.968 -8.385 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.519 -6.209 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.332 -6.169 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.413 -8.678 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.327 -7.241 -0.997 1.00 0.00 H new ATOM 94 N LEU A 6 -6.174 -8.134 -1.698 1.00 0.00 N ATOM 95 CA LEU A 6 -4.907 -8.187 -2.416 1.00 0.00 C ATOM 96 C LEU A 6 -5.135 -8.158 -3.924 1.00 0.00 C ATOM 97 O LEU A 6 -5.680 -9.102 -4.497 1.00 0.00 O ATOM 98 CB LEU A 6 -4.128 -9.446 -2.030 1.00 0.00 C ATOM 99 CG LEU A 6 -3.584 -9.457 -0.600 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.288 -10.881 -0.154 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.336 -8.593 -0.500 1.00 0.00 C ATOM 0 H LEU A 6 -6.880 -8.785 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.324 -7.309 -2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.777 -10.312 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.293 -9.565 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.343 -9.042 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.902 -10.870 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.204 -11.471 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.546 -11.324 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.962 -8.612 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.571 -8.980 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.580 -7.568 -0.779 1.00 0.00 H new ATOM 113 N LYS A 7 -4.716 -7.070 -4.563 1.00 0.00 N ATOM 114 CA LYS A 7 -4.876 -6.921 -6.004 1.00 0.00 C ATOM 115 C LYS A 7 -3.707 -7.556 -6.750 1.00 0.00 C ATOM 116 O LYS A 7 -2.647 -7.799 -6.172 1.00 0.00 O ATOM 117 CB LYS A 7 -4.989 -5.442 -6.375 1.00 0.00 C ATOM 118 CG LYS A 7 -6.424 -4.954 -6.498 1.00 0.00 C ATOM 119 CD LYS A 7 -6.890 -4.951 -7.946 1.00 0.00 C ATOM 120 CE LYS A 7 -8.403 -5.056 -8.043 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.045 -3.720 -8.188 1.00 0.00 N ATOM 0 H LYS A 7 -4.263 -6.279 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.792 -7.433 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.475 -4.846 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.474 -5.273 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.079 -5.593 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.504 -3.948 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.555 -4.036 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.431 -5.784 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.669 -5.681 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.790 -5.550 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.077 -3.836 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.812 -3.132 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.695 -3.259 -9.052 1.00 0.00 H new ATOM 135 N LYS A 8 -3.907 -7.822 -8.037 1.00 0.00 N ATOM 136 CA LYS A 8 -2.869 -8.429 -8.861 1.00 0.00 C ATOM 137 C LYS A 8 -1.638 -7.532 -8.930 1.00 0.00 C ATOM 138 O LYS A 8 -0.507 -8.017 -8.985 1.00 0.00 O ATOM 139 CB LYS A 8 -3.403 -8.699 -10.271 1.00 0.00 C ATOM 140 CG LYS A 8 -3.234 -10.141 -10.720 1.00 0.00 C ATOM 141 CD LYS A 8 -4.327 -11.032 -10.151 1.00 0.00 C ATOM 142 CE LYS A 8 -4.798 -12.055 -11.172 1.00 0.00 C ATOM 143 NZ LYS A 8 -5.907 -12.896 -10.644 1.00 0.00 N ATOM 0 H LYS A 8 -4.778 -7.627 -8.531 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.580 -9.375 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.461 -8.438 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.890 -8.045 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.254 -10.189 -11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.259 -10.511 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.955 -11.546 -9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.170 -10.418 -9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.130 -11.541 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.962 -12.694 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.200 -13.581 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.583 -13.406 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.714 -12.290 -10.395 1.00 0.00 H new ATOM 157 N SER A 9 -1.864 -6.222 -8.924 1.00 0.00 N ATOM 158 CA SER A 9 -0.773 -5.257 -8.985 1.00 0.00 C ATOM 159 C SER A 9 0.029 -5.264 -7.687 1.00 0.00 C ATOM 160 O SER A 9 1.239 -5.035 -7.693 1.00 0.00 O ATOM 161 CB SER A 9 -1.319 -3.856 -9.255 1.00 0.00 C ATOM 162 OG SER A 9 -1.783 -3.738 -10.589 1.00 0.00 O ATOM 0 H SER A 9 -2.794 -5.805 -8.877 1.00 0.00 H new ATOM 0 HA SER A 9 -0.111 -5.543 -9.802 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.133 -3.640 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.539 -3.117 -9.071 1.00 0.00 H new ATOM 0 HG SER A 9 -2.129 -2.833 -10.736 1.00 0.00 H new ATOM 168 N PHE A 10 -0.653 -5.527 -6.577 1.00 0.00 N ATOM 169 CA PHE A 10 -0.005 -5.563 -5.272 1.00 0.00 C ATOM 170 C PHE A 10 0.842 -6.822 -5.121 1.00 0.00 C ATOM 171 O PHE A 10 1.931 -6.784 -4.546 1.00 0.00 O ATOM 172 CB PHE A 10 -1.052 -5.503 -4.157 1.00 0.00 C ATOM 173 CG PHE A 10 -0.465 -5.277 -2.792 1.00 0.00 C ATOM 174 CD1 PHE A 10 0.126 -4.065 -2.471 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.505 -6.274 -1.832 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.667 -3.853 -1.217 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.035 -6.068 -0.577 1.00 0.00 C ATOM 178 CZ PHE A 10 0.621 -4.856 -0.268 1.00 0.00 C ATOM 0 H PHE A 10 -1.655 -5.718 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 10 0.649 -4.694 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.759 -4.703 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.617 -6.435 -4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.164 -3.277 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.963 -7.223 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.125 -2.904 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.001 -6.855 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.042 -4.693 0.713 1.00 0.00 H new ATOM 188 N GLN A 11 0.337 -7.935 -5.641 1.00 0.00 N ATOM 189 CA GLN A 11 1.047 -9.206 -5.564 1.00 0.00 C ATOM 190 C GLN A 11 2.365 -9.137 -6.327 1.00 0.00 C ATOM 191 O GLN A 11 3.372 -9.705 -5.902 1.00 0.00 O ATOM 192 CB GLN A 11 0.179 -10.334 -6.123 1.00 0.00 C ATOM 193 CG GLN A 11 -1.018 -10.670 -5.249 1.00 0.00 C ATOM 194 CD GLN A 11 -1.760 -11.903 -5.726 1.00 0.00 C ATOM 195 OE1 GLN A 11 -1.976 -12.845 -4.964 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.156 -11.902 -6.993 1.00 0.00 N ATOM 0 H GLN A 11 -0.562 -7.983 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 11 1.264 -9.411 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.174 -10.052 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.792 -11.227 -6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.682 -10.826 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.702 -9.822 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.955 -11.099 -7.589 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.661 -12.704 -7.370 1.00 0.00 H new ATOM 205 N LYS A 12 2.354 -8.438 -7.458 1.00 0.00 N ATOM 206 CA LYS A 12 3.549 -8.296 -8.279 1.00 0.00 C ATOM 207 C LYS A 12 4.433 -7.157 -7.770 1.00 0.00 C ATOM 208 O LYS A 12 5.645 -7.147 -7.981 1.00 0.00 O ATOM 209 CB LYS A 12 3.164 -8.044 -9.738 1.00 0.00 C ATOM 210 CG LYS A 12 3.034 -9.315 -10.562 1.00 0.00 C ATOM 211 CD LYS A 12 3.626 -9.144 -11.952 1.00 0.00 C ATOM 212 CE LYS A 12 4.402 -10.378 -12.386 1.00 0.00 C ATOM 213 NZ LYS A 12 3.560 -11.313 -13.179 1.00 0.00 N ATOM 0 H LYS A 12 1.530 -7.962 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 12 4.114 -9.226 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.218 -7.504 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.913 -7.399 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.538 -10.135 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.982 -9.590 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.827 -8.946 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.286 -8.276 -11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.264 -10.074 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.786 -10.893 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.126 -12.141 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.750 -11.623 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.214 -10.830 -14.032 1.00 0.00 H new ATOM 227 N ASP A 13 3.813 -6.200 -7.096 1.00 0.00 N ATOM 228 CA ASP A 13 4.529 -5.053 -6.547 1.00 0.00 C ATOM 229 C ASP A 13 4.995 -5.329 -5.117 1.00 0.00 C ATOM 230 O ASP A 13 5.751 -4.550 -4.538 1.00 0.00 O ATOM 231 CB ASP A 13 3.637 -3.810 -6.572 1.00 0.00 C ATOM 232 CG ASP A 13 3.466 -3.251 -7.971 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.243 -4.048 -8.906 1.00 0.00 O ATOM 234 OD2 ASP A 13 3.554 -2.015 -8.131 1.00 0.00 O ATOM 0 H ASP A 13 2.809 -6.193 -6.914 1.00 0.00 H new ATOM 0 HA ASP A 13 5.408 -4.877 -7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.659 -4.060 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.068 -3.044 -5.927 1.00 0.00 H new ATOM 239 N PHE A 14 4.526 -6.435 -4.550 1.00 0.00 N ATOM 240 CA PHE A 14 4.879 -6.817 -3.192 1.00 0.00 C ATOM 241 C PHE A 14 6.111 -7.714 -3.176 1.00 0.00 C ATOM 242 O PHE A 14 7.170 -7.325 -2.693 1.00 0.00 O ATOM 243 CB PHE A 14 3.704 -7.531 -2.524 1.00 0.00 C ATOM 244 CG PHE A 14 3.983 -7.972 -1.115 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.321 -7.048 -0.139 1.00 0.00 C ATOM 246 CD2 PHE A 14 3.902 -9.311 -0.767 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.576 -7.452 1.158 1.00 0.00 C ATOM 248 CE2 PHE A 14 4.156 -9.721 0.529 1.00 0.00 C ATOM 249 CZ PHE A 14 4.494 -8.791 1.493 1.00 0.00 C ATOM 0 H PHE A 14 3.895 -7.086 -5.017 1.00 0.00 H new ATOM 0 HA PHE A 14 5.111 -5.909 -2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.840 -6.866 -2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.434 -8.402 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.386 -6.001 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.638 -10.042 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.839 -6.722 1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.090 -10.768 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.694 -9.109 2.506 1.00 0.00 H new ATOM 259 N ASP A 15 5.952 -8.925 -3.699 1.00 0.00 N ATOM 260 CA ASP A 15 7.034 -9.899 -3.742 1.00 0.00 C ATOM 261 C ASP A 15 7.834 -9.800 -5.036 1.00 0.00 C ATOM 262 O ASP A 15 9.045 -10.021 -5.039 1.00 0.00 O ATOM 263 CB ASP A 15 6.474 -11.314 -3.586 1.00 0.00 C ATOM 264 CG ASP A 15 7.509 -12.289 -3.061 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.725 -12.319 -1.830 1.00 0.00 O ATOM 266 OD2 ASP A 15 8.103 -13.025 -3.877 1.00 0.00 O ATOM 0 H ASP A 15 5.076 -9.256 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 15 7.708 -9.678 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.622 -11.292 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.105 -11.664 -4.550 1.00 0.00 H new ATOM 271 N LYS A 16 7.160 -9.478 -6.138 1.00 0.00 N ATOM 272 CA LYS A 16 7.840 -9.371 -7.425 1.00 0.00 C ATOM 273 C LYS A 16 8.586 -8.047 -7.545 1.00 0.00 C ATOM 274 O LYS A 16 9.448 -7.890 -8.408 1.00 0.00 O ATOM 275 CB LYS A 16 6.847 -9.527 -8.576 1.00 0.00 C ATOM 276 CG LYS A 16 6.701 -10.957 -9.071 1.00 0.00 C ATOM 277 CD LYS A 16 8.043 -11.557 -9.461 1.00 0.00 C ATOM 278 CE LYS A 16 8.484 -12.629 -8.476 1.00 0.00 C ATOM 279 NZ LYS A 16 7.390 -13.593 -8.174 1.00 0.00 N ATOM 0 H LYS A 16 6.158 -9.289 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 16 8.570 -10.179 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.872 -9.163 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.165 -8.896 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.242 -11.567 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.030 -10.978 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.974 -11.987 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.796 -10.770 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.339 -13.167 -8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.817 -12.157 -7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.792 -14.542 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.896 -13.297 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.717 -13.614 -8.967 1.00 0.00 H new ATOM 293 N LEU A 17 8.267 -7.102 -6.665 1.00 0.00 N ATOM 294 CA LEU A 17 8.928 -5.812 -6.671 1.00 0.00 C ATOM 295 C LEU A 17 10.269 -5.930 -5.966 1.00 0.00 C ATOM 296 O LEU A 17 11.246 -5.285 -6.348 1.00 0.00 O ATOM 297 CB LEU A 17 8.057 -4.767 -5.974 1.00 0.00 C ATOM 298 CG LEU A 17 8.753 -3.445 -5.656 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.174 -2.739 -6.935 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.846 -2.552 -4.823 1.00 0.00 C ATOM 0 H LEU A 17 7.556 -7.210 -5.942 1.00 0.00 H new ATOM 0 HA LEU A 17 9.088 -5.495 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.191 -4.561 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.680 -5.193 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 17 9.650 -3.660 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.668 -1.800 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.863 -3.375 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.294 -2.536 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.358 -1.615 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.930 -2.345 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.599 -3.055 -3.888 1.00 0.00 H new ATOM 312 N LEU A 18 10.306 -6.767 -4.935 1.00 0.00 N ATOM 313 CA LEU A 18 11.533 -6.979 -4.174 1.00 0.00 C ATOM 314 C LEU A 18 12.613 -7.609 -5.047 1.00 0.00 C ATOM 315 O LEU A 18 13.728 -7.097 -5.140 1.00 0.00 O ATOM 316 CB LEU A 18 11.264 -7.866 -2.956 1.00 0.00 C ATOM 317 CG LEU A 18 9.868 -7.730 -2.352 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.771 -8.498 -1.049 1.00 0.00 C ATOM 319 CD2 LEU A 18 9.516 -6.264 -2.146 1.00 0.00 C ATOM 0 H LEU A 18 9.505 -7.307 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 18 11.887 -6.006 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.420 -8.906 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.000 -7.633 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 18 9.148 -8.158 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.769 -8.388 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.974 -9.553 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.501 -8.106 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.518 -6.187 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.239 -5.808 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.538 -5.746 -3.105 1.00 0.00 H new ATOM 331 N LEU A 19 12.274 -8.726 -5.686 1.00 0.00 N ATOM 332 CA LEU A 19 13.215 -9.426 -6.552 1.00 0.00 C ATOM 333 C LEU A 19 13.673 -8.528 -7.698 1.00 0.00 C ATOM 334 O LEU A 19 14.833 -8.571 -8.108 1.00 0.00 O ATOM 335 CB LEU A 19 12.577 -10.702 -7.110 1.00 0.00 C ATOM 336 CG LEU A 19 12.837 -11.966 -6.289 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.938 -13.099 -6.758 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.301 -12.370 -6.383 1.00 0.00 C ATOM 0 H LEU A 19 11.355 -9.164 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 19 14.087 -9.696 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.500 -10.550 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.946 -10.862 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 19 12.606 -11.754 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.136 -13.991 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.894 -12.808 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.138 -13.311 -7.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.468 -13.271 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.559 -12.565 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.926 -11.564 -5.999 1.00 0.00 H new ATOM 350 N ASN A 20 12.755 -7.714 -8.208 1.00 0.00 N ATOM 351 CA ASN A 20 13.065 -6.803 -9.306 1.00 0.00 C ATOM 352 C ASN A 20 14.201 -5.857 -8.926 1.00 0.00 C ATOM 353 O ASN A 20 14.912 -5.346 -9.792 1.00 0.00 O ATOM 354 CB ASN A 20 11.821 -5.999 -9.695 1.00 0.00 C ATOM 355 CG ASN A 20 11.545 -6.047 -11.184 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.398 -6.175 -11.611 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.599 -5.946 -11.986 1.00 0.00 N ATOM 0 H ASN A 20 11.791 -7.666 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 20 13.386 -7.399 -10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.957 -6.387 -9.155 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.950 -4.962 -9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.474 -5.973 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.533 -5.841 -11.590 1.00 0.00 H new ATOM 364 N GLY A 21 14.367 -5.629 -7.626 1.00 0.00 N ATOM 365 CA GLY A 21 15.420 -4.746 -7.156 1.00 0.00 C ATOM 366 C GLY A 21 14.929 -3.750 -6.124 1.00 0.00 C ATOM 367 O GLY A 21 15.353 -2.595 -6.114 1.00 0.00 O ATOM 0 H GLY A 21 13.792 -6.040 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.224 -5.343 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.842 -4.207 -8.004 1.00 0.00 H new ATOM 371 N PHE A 22 14.031 -4.197 -5.250 1.00 0.00 N ATOM 372 CA PHE A 22 13.481 -3.340 -4.210 1.00 0.00 C ATOM 373 C PHE A 22 13.752 -3.922 -2.827 1.00 0.00 C ATOM 374 O PHE A 22 14.088 -5.099 -2.693 1.00 0.00 O ATOM 375 CB PHE A 22 11.977 -3.163 -4.419 1.00 0.00 C ATOM 376 CG PHE A 22 11.344 -2.214 -3.445 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.393 -0.846 -3.658 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.697 -2.691 -2.319 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.809 0.030 -2.764 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.111 -1.821 -1.418 1.00 0.00 C ATOM 381 CZ PHE A 22 10.167 -0.458 -1.641 1.00 0.00 C ATOM 0 H PHE A 22 13.670 -5.151 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 22 13.968 -2.367 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.799 -2.803 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.490 -4.135 -4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.894 -0.460 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.649 -3.755 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.854 1.094 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.611 -2.206 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.710 0.224 -0.939 1.00 0.00 H new ATOM 391 N ASP A 23 13.608 -3.092 -1.800 1.00 0.00 N ATOM 392 CA ASP A 23 13.841 -3.526 -0.427 1.00 0.00 C ATOM 393 C ASP A 23 12.677 -4.369 0.088 1.00 0.00 C ATOM 394 O ASP A 23 11.524 -3.940 0.058 1.00 0.00 O ATOM 395 CB ASP A 23 14.048 -2.314 0.484 1.00 0.00 C ATOM 396 CG ASP A 23 14.479 -2.709 1.882 1.00 0.00 C ATOM 397 OD1 ASP A 23 14.987 -3.836 2.052 1.00 0.00 O ATOM 398 OD2 ASP A 23 14.309 -1.888 2.809 1.00 0.00 O ATOM 0 H ASP A 23 13.331 -2.115 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 23 14.741 -4.141 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.801 -1.658 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.121 -1.743 0.540 1.00 0.00 H new ATOM 403 N ASP A 24 12.992 -5.569 0.565 1.00 0.00 N ATOM 404 CA ASP A 24 11.977 -6.475 1.094 1.00 0.00 C ATOM 405 C ASP A 24 11.825 -6.312 2.605 1.00 0.00 C ATOM 406 O ASP A 24 10.845 -6.768 3.191 1.00 0.00 O ATOM 407 CB ASP A 24 12.338 -7.926 0.773 1.00 0.00 C ATOM 408 CG ASP A 24 13.760 -8.268 1.174 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.693 -7.598 0.683 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.941 -9.208 1.976 1.00 0.00 O ATOM 0 H ASP A 24 13.943 -5.937 0.596 1.00 0.00 H new ATOM 0 HA ASP A 24 11.029 -6.223 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.647 -8.593 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.212 -8.102 -0.295 1.00 0.00 H new ATOM 415 N SER A 25 12.802 -5.666 3.236 1.00 0.00 N ATOM 416 CA SER A 25 12.771 -5.455 4.679 1.00 0.00 C ATOM 417 C SER A 25 11.843 -4.301 5.044 1.00 0.00 C ATOM 418 O SER A 25 11.187 -4.325 6.086 1.00 0.00 O ATOM 419 CB SER A 25 14.179 -5.177 5.205 1.00 0.00 C ATOM 420 OG SER A 25 14.805 -6.370 5.648 1.00 0.00 O ATOM 0 H SER A 25 13.624 -5.280 2.771 1.00 0.00 H new ATOM 0 HA SER A 25 12.389 -6.364 5.144 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.780 -4.718 4.420 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.129 -4.463 6.027 1.00 0.00 H new ATOM 0 HG SER A 25 15.705 -6.164 5.978 1.00 0.00 H new ATOM 426 N VAL A 26 11.797 -3.290 4.185 1.00 0.00 N ATOM 427 CA VAL A 26 10.952 -2.126 4.419 1.00 0.00 C ATOM 428 C VAL A 26 9.471 -2.491 4.354 1.00 0.00 C ATOM 429 O VAL A 26 8.635 -1.839 4.980 1.00 0.00 O ATOM 430 CB VAL A 26 11.243 -1.009 3.397 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.942 -1.482 1.983 1.00 0.00 C ATOM 432 CG2 VAL A 26 10.447 0.245 3.730 1.00 0.00 C ATOM 0 H VAL A 26 12.335 -3.253 3.319 1.00 0.00 H new ATOM 0 HA VAL A 26 11.185 -1.764 5.420 1.00 0.00 H new ATOM 0 HB VAL A 26 12.303 -0.762 3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.154 -0.679 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.565 -2.345 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.891 -1.762 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.667 1.021 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.382 0.016 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.722 0.597 4.724 1.00 0.00 H new ATOM 442 N LEU A 27 9.152 -3.533 3.591 1.00 0.00 N ATOM 443 CA LEU A 27 7.772 -3.976 3.445 1.00 0.00 C ATOM 444 C LEU A 27 7.214 -4.484 4.773 1.00 0.00 C ATOM 445 O LEU A 27 6.046 -4.259 5.093 1.00 0.00 O ATOM 446 CB LEU A 27 7.680 -5.071 2.375 1.00 0.00 C ATOM 447 CG LEU A 27 8.024 -6.487 2.846 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.792 -7.182 3.404 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.619 -7.291 1.703 1.00 0.00 C ATOM 0 H LEU A 27 9.831 -4.084 3.066 1.00 0.00 H new ATOM 0 HA LEU A 27 7.171 -3.122 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.667 -5.077 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.347 -4.808 1.554 1.00 0.00 H new ATOM 0 HG LEU A 27 8.764 -6.416 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.059 -8.186 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.406 -6.614 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.028 -7.245 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.859 -8.296 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.898 -7.352 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.527 -6.803 1.349 1.00 0.00 H new ATOM 461 N ASN A 28 8.053 -5.170 5.541 1.00 0.00 N ATOM 462 CA ASN A 28 7.642 -5.708 6.831 1.00 0.00 C ATOM 463 C ASN A 28 7.224 -4.591 7.783 1.00 0.00 C ATOM 464 O ASN A 28 6.422 -4.805 8.693 1.00 0.00 O ATOM 465 CB ASN A 28 8.776 -6.524 7.452 1.00 0.00 C ATOM 466 CG ASN A 28 8.271 -7.743 8.199 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.090 -7.835 8.534 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.166 -8.688 8.462 1.00 0.00 N ATOM 0 H ASN A 28 9.022 -5.366 5.292 1.00 0.00 H new ATOM 0 HA ASN A 28 6.783 -6.358 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.463 -6.841 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.343 -5.892 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.885 -9.532 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.135 -8.570 8.165 1.00 0.00 H new ATOM 475 N GLU A 29 7.774 -3.400 7.571 1.00 0.00 N ATOM 476 CA GLU A 29 7.460 -2.251 8.412 1.00 0.00 C ATOM 477 C GLU A 29 6.073 -1.699 8.094 1.00 0.00 C ATOM 478 O GLU A 29 5.374 -1.204 8.978 1.00 0.00 O ATOM 479 CB GLU A 29 8.511 -1.156 8.223 1.00 0.00 C ATOM 480 CG GLU A 29 9.836 -1.460 8.902 1.00 0.00 C ATOM 481 CD GLU A 29 10.052 -0.634 10.154 1.00 0.00 C ATOM 482 OE1 GLU A 29 9.495 -0.999 11.210 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.781 0.380 10.080 1.00 0.00 O ATOM 0 H GLU A 29 8.440 -3.205 6.823 1.00 0.00 H new ATOM 0 HA GLU A 29 7.467 -2.582 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.684 -1.010 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.119 -0.217 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.874 -2.519 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.650 -1.272 8.202 1.00 0.00 H new ATOM 490 N VAL A 30 5.685 -1.776 6.826 1.00 0.00 N ATOM 491 CA VAL A 30 4.386 -1.277 6.393 1.00 0.00 C ATOM 492 C VAL A 30 3.307 -2.359 6.461 1.00 0.00 C ATOM 493 O VAL A 30 2.175 -2.091 6.860 1.00 0.00 O ATOM 494 CB VAL A 30 4.453 -0.711 4.960 1.00 0.00 C ATOM 495 CG1 VAL A 30 4.848 -1.796 3.970 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.126 -0.080 4.567 1.00 0.00 C ATOM 0 H VAL A 30 6.252 -2.179 6.080 1.00 0.00 H new ATOM 0 HA VAL A 30 4.117 -0.476 7.082 1.00 0.00 H new ATOM 0 HB VAL A 30 5.218 0.065 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.889 -1.375 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.827 -2.193 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.111 -2.599 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.196 0.313 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.338 -0.832 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.891 0.732 5.255 1.00 0.00 H new ATOM 506 N ILE A 31 3.660 -3.574 6.056 1.00 0.00 N ATOM 507 CA ILE A 31 2.713 -4.685 6.060 1.00 0.00 C ATOM 508 C ILE A 31 2.258 -5.035 7.476 1.00 0.00 C ATOM 509 O ILE A 31 1.062 -5.079 7.756 1.00 0.00 O ATOM 510 CB ILE A 31 3.311 -5.938 5.376 1.00 0.00 C ATOM 511 CG1 ILE A 31 2.937 -5.956 3.892 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.837 -7.219 6.056 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.556 -4.829 3.097 1.00 0.00 C ATOM 0 H ILE A 31 4.593 -3.815 5.721 1.00 0.00 H new ATOM 0 HA ILE A 31 1.843 -4.357 5.491 1.00 0.00 H new ATOM 0 HB ILE A 31 4.396 -5.890 5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.247 -6.907 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.852 -5.902 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.274 -8.081 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.148 -7.213 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.750 -7.279 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.247 -4.906 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.226 -3.873 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.642 -4.894 3.159 1.00 0.00 H new ATOM 525 N LEU A 32 3.214 -5.303 8.362 1.00 0.00 N ATOM 526 CA LEU A 32 2.892 -5.669 9.739 1.00 0.00 C ATOM 527 C LEU A 32 1.914 -4.681 10.374 1.00 0.00 C ATOM 528 O LEU A 32 1.228 -5.023 11.335 1.00 0.00 O ATOM 529 CB LEU A 32 4.168 -5.783 10.587 1.00 0.00 C ATOM 530 CG LEU A 32 4.549 -4.539 11.394 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.733 -4.836 12.303 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.866 -3.379 10.467 1.00 0.00 C ATOM 0 H LEU A 32 4.212 -5.274 8.153 1.00 0.00 H new ATOM 0 HA LEU A 32 2.405 -6.644 9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.048 -6.618 11.278 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.999 -6.032 9.927 1.00 0.00 H new ATOM 0 HG LEU A 32 3.699 -4.258 12.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.991 -3.941 12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.470 -5.638 12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.588 -5.142 11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.135 -2.504 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.700 -3.649 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.992 -3.151 9.858 1.00 0.00 H new ATOM 544 N THR A 33 1.858 -3.461 9.841 1.00 0.00 N ATOM 545 CA THR A 33 0.963 -2.437 10.373 1.00 0.00 C ATOM 546 C THR A 33 -0.403 -2.473 9.686 1.00 0.00 C ATOM 547 O THR A 33 -1.438 -2.337 10.339 1.00 0.00 O ATOM 548 CB THR A 33 1.584 -1.049 10.205 1.00 0.00 C ATOM 549 OG1 THR A 33 2.878 -1.006 10.779 1.00 0.00 O ATOM 550 CG2 THR A 33 0.763 0.054 10.839 1.00 0.00 C ATOM 0 H THR A 33 2.420 -3.160 9.045 1.00 0.00 H new ATOM 0 HA THR A 33 0.819 -2.647 11.433 1.00 0.00 H new ATOM 0 HB THR A 33 1.624 -0.878 9.129 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.552 -1.050 10.069 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.259 1.012 10.684 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.226 0.079 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.664 -0.134 11.908 1.00 0.00 H new ATOM 558 N LEU A 34 -0.397 -2.636 8.367 1.00 0.00 N ATOM 559 CA LEU A 34 -1.636 -2.666 7.592 1.00 0.00 C ATOM 560 C LEU A 34 -2.317 -4.031 7.657 1.00 0.00 C ATOM 561 O LEU A 34 -3.542 -4.124 7.587 1.00 0.00 O ATOM 562 CB LEU A 34 -1.347 -2.305 6.133 1.00 0.00 C ATOM 563 CG LEU A 34 -0.800 -0.895 5.913 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.070 -0.809 4.582 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.924 0.127 5.974 1.00 0.00 C ATOM 0 H LEU A 34 0.451 -2.749 7.811 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.314 -1.933 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.632 -3.023 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.266 -2.416 5.558 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.090 -0.672 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.313 0.202 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.760 -1.516 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.759 -1.052 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.517 1.126 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.658 -0.093 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.404 0.082 6.952 1.00 0.00 H new ATOM 577 N ARG A 35 -1.521 -5.086 7.773 1.00 0.00 N ATOM 578 CA ARG A 35 -2.057 -6.443 7.828 1.00 0.00 C ATOM 579 C ARG A 35 -2.320 -6.895 9.262 1.00 0.00 C ATOM 580 O ARG A 35 -2.409 -8.093 9.532 1.00 0.00 O ATOM 581 CB ARG A 35 -1.093 -7.416 7.146 1.00 0.00 C ATOM 582 CG ARG A 35 -0.687 -6.986 5.746 1.00 0.00 C ATOM 583 CD ARG A 35 -0.139 -8.152 4.939 1.00 0.00 C ATOM 584 NE ARG A 35 -1.166 -8.774 4.104 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.865 -9.853 4.458 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.658 -10.438 5.633 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.776 -10.348 3.632 1.00 0.00 N ATOM 0 H ARG A 35 -0.504 -5.030 7.831 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.011 -6.440 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.198 -7.519 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.559 -8.400 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.548 -6.560 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.067 -6.201 5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.678 -7.803 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.277 -8.897 5.617 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.360 -8.356 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.959 -10.062 6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.198 -11.263 5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.941 -9.904 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.312 -11.173 3.900 1.00 0.00 H new ATOM 601 N LYS A 36 -2.445 -5.942 10.181 1.00 0.00 N ATOM 602 CA LYS A 36 -2.697 -6.272 11.580 1.00 0.00 C ATOM 603 C LYS A 36 -4.061 -5.760 12.043 1.00 0.00 C ATOM 604 O LYS A 36 -4.810 -6.496 12.686 1.00 0.00 O ATOM 605 CB LYS A 36 -1.582 -5.725 12.467 1.00 0.00 C ATOM 606 CG LYS A 36 -1.329 -4.239 12.304 1.00 0.00 C ATOM 607 CD LYS A 36 -1.012 -3.600 13.640 1.00 0.00 C ATOM 608 CE LYS A 36 0.488 -3.497 13.871 1.00 0.00 C ATOM 609 NZ LYS A 36 0.826 -3.457 15.320 1.00 0.00 N ATOM 0 H LYS A 36 -2.377 -4.943 9.985 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.710 -7.358 11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.830 -5.928 13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.661 -6.265 12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.501 -4.080 11.613 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.206 -3.762 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.456 -2.606 13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.464 -4.186 14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.986 -4.348 13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.869 -2.599 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.857 -3.387 15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.372 -2.631 15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.485 -4.325 15.780 1.00 0.00 H new ATOM 623 N LYS A 37 -4.380 -4.506 11.703 1.00 0.00 N ATOM 624 CA LYS A 37 -5.661 -3.880 12.069 1.00 0.00 C ATOM 625 C LYS A 37 -5.511 -2.367 12.216 1.00 0.00 C ATOM 626 O LYS A 37 -6.493 -1.629 12.150 1.00 0.00 O ATOM 627 CB LYS A 37 -6.222 -4.452 13.378 1.00 0.00 C ATOM 628 CG LYS A 37 -5.207 -4.507 14.509 1.00 0.00 C ATOM 629 CD LYS A 37 -5.348 -5.783 15.322 1.00 0.00 C ATOM 630 CE LYS A 37 -3.991 -6.322 15.750 1.00 0.00 C ATOM 631 NZ LYS A 37 -4.079 -7.729 16.229 1.00 0.00 N ATOM 0 H LYS A 37 -3.762 -3.896 11.168 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.357 -4.102 11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.071 -3.846 13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.599 -5.457 13.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.199 -4.446 14.098 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.339 -3.643 15.160 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.958 -5.589 16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.871 -6.536 14.732 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.297 -6.267 14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.584 -5.693 16.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.134 -8.059 16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.721 -7.778 17.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.443 -8.334 15.465 1.00 0.00 H new ATOM 645 N GLU A 38 -4.279 -1.910 12.423 1.00 0.00 N ATOM 646 CA GLU A 38 -4.009 -0.485 12.587 1.00 0.00 C ATOM 647 C GLU A 38 -4.224 0.271 11.276 1.00 0.00 C ATOM 648 O GLU A 38 -3.473 0.091 10.318 1.00 0.00 O ATOM 649 CB GLU A 38 -2.576 -0.274 13.078 1.00 0.00 C ATOM 650 CG GLU A 38 -2.252 1.174 13.408 1.00 0.00 C ATOM 651 CD GLU A 38 -1.348 1.821 12.377 1.00 0.00 C ATOM 652 OE1 GLU A 38 -1.710 1.814 11.182 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.276 2.334 12.764 1.00 0.00 O ATOM 0 H GLU A 38 -3.453 -2.505 12.481 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.706 -0.093 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.411 -0.886 13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.883 -0.627 12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.179 1.742 13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.773 1.221 14.386 1.00 0.00 H new ATOM 660 N PRO A 39 -5.257 1.134 11.214 1.00 0.00 N ATOM 661 CA PRO A 39 -5.557 1.916 10.012 1.00 0.00 C ATOM 662 C PRO A 39 -4.603 3.093 9.838 1.00 0.00 C ATOM 663 O PRO A 39 -4.060 3.614 10.814 1.00 0.00 O ATOM 664 CB PRO A 39 -6.978 2.411 10.268 1.00 0.00 C ATOM 665 CG PRO A 39 -7.075 2.518 11.750 1.00 0.00 C ATOM 666 CD PRO A 39 -6.207 1.419 12.307 1.00 0.00 C ATOM 0 HA PRO A 39 -5.452 1.329 9.100 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.155 3.374 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.718 1.716 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.735 3.495 12.093 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.107 2.405 12.082 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.691 1.737 13.213 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.794 0.538 12.567 1.00 0.00 H new ATOM 674 N LEU A 40 -4.404 3.510 8.594 1.00 0.00 N ATOM 675 CA LEU A 40 -3.515 4.626 8.295 1.00 0.00 C ATOM 676 C LEU A 40 -4.183 5.956 8.629 1.00 0.00 C ATOM 677 O LEU A 40 -5.189 6.326 8.022 1.00 0.00 O ATOM 678 CB LEU A 40 -3.105 4.600 6.822 1.00 0.00 C ATOM 679 CG LEU A 40 -2.587 3.249 6.320 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.916 3.066 4.845 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.086 3.134 6.555 1.00 0.00 C ATOM 0 H LEU A 40 -4.846 3.092 7.775 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.622 4.524 8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.963 4.892 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.332 5.351 6.662 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.084 2.458 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.540 2.101 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.996 3.104 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.447 3.862 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.734 2.168 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.572 3.932 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.877 3.220 7.621 1.00 0.00 H new ATOM 693 N ASP A 41 -3.617 6.670 9.597 1.00 0.00 N ATOM 694 CA ASP A 41 -4.157 7.958 10.016 1.00 0.00 C ATOM 695 C ASP A 41 -4.202 8.940 8.847 1.00 0.00 C ATOM 696 O ASP A 41 -3.566 8.720 7.816 1.00 0.00 O ATOM 697 CB ASP A 41 -3.318 8.540 11.154 1.00 0.00 C ATOM 698 CG ASP A 41 -3.885 8.210 12.521 1.00 0.00 C ATOM 699 OD1 ASP A 41 -4.310 7.053 12.723 1.00 0.00 O ATOM 700 OD2 ASP A 41 -3.906 9.107 13.389 1.00 0.00 O ATOM 0 H ASP A 41 -2.783 6.377 10.106 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.176 7.797 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.300 8.156 11.084 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.259 9.622 11.040 1.00 0.00 H new ATOM 705 N PRO A 42 -4.959 10.042 8.995 1.00 0.00 N ATOM 706 CA PRO A 42 -5.084 11.061 7.947 1.00 0.00 C ATOM 707 C PRO A 42 -3.804 11.870 7.760 1.00 0.00 C ATOM 708 O PRO A 42 -3.656 12.593 6.775 1.00 0.00 O ATOM 709 CB PRO A 42 -6.214 11.957 8.457 1.00 0.00 C ATOM 710 CG PRO A 42 -6.182 11.798 9.938 1.00 0.00 C ATOM 711 CD PRO A 42 -5.750 10.381 10.192 1.00 0.00 C ATOM 0 HA PRO A 42 -5.280 10.617 6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.058 12.996 8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.177 11.653 8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.488 12.505 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.163 11.991 10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.156 10.300 11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.605 9.716 10.309 1.00 0.00 H new ATOM 719 N GLN A 43 -2.881 11.747 8.710 1.00 0.00 N ATOM 720 CA GLN A 43 -1.616 12.470 8.645 1.00 0.00 C ATOM 721 C GLN A 43 -0.595 11.732 7.777 1.00 0.00 C ATOM 722 O GLN A 43 0.553 12.161 7.660 1.00 0.00 O ATOM 723 CB GLN A 43 -1.051 12.675 10.050 1.00 0.00 C ATOM 724 CG GLN A 43 -1.908 13.574 10.927 1.00 0.00 C ATOM 725 CD GLN A 43 -1.519 15.035 10.819 1.00 0.00 C ATOM 726 OE1 GLN A 43 -0.890 15.590 11.721 1.00 0.00 O ATOM 727 NE2 GLN A 43 -1.891 15.667 9.711 1.00 0.00 N ATOM 0 H GLN A 43 -2.986 11.154 9.533 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.811 13.441 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.944 11.704 10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.052 13.104 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.955 13.459 10.646 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.820 13.254 11.965 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.411 15.168 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.656 16.651 9.582 1.00 0.00 H new ATOM 736 N PHE A 44 -1.015 10.624 7.170 1.00 0.00 N ATOM 737 CA PHE A 44 -0.129 9.839 6.318 1.00 0.00 C ATOM 738 C PHE A 44 -0.295 10.221 4.849 1.00 0.00 C ATOM 739 O PHE A 44 0.064 9.455 3.957 1.00 0.00 O ATOM 740 CB PHE A 44 -0.406 8.346 6.502 1.00 0.00 C ATOM 741 CG PHE A 44 0.426 7.706 7.579 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.664 8.366 8.774 1.00 0.00 C ATOM 743 CD2 PHE A 44 0.968 6.446 7.394 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.429 7.779 9.765 1.00 0.00 C ATOM 745 CE2 PHE A 44 1.733 5.853 8.380 1.00 0.00 C ATOM 746 CZ PHE A 44 1.965 6.521 9.567 1.00 0.00 C ATOM 0 H PHE A 44 -1.961 10.252 7.253 1.00 0.00 H new ATOM 0 HA PHE A 44 0.898 10.054 6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.461 8.208 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.221 7.832 5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.247 9.350 8.933 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.791 5.920 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.607 8.303 10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.149 4.869 8.223 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.564 6.061 10.339 1.00 0.00 H new ATOM 756 N GLN A 45 -0.843 11.409 4.604 1.00 0.00 N ATOM 757 CA GLN A 45 -1.052 11.886 3.241 1.00 0.00 C ATOM 758 C GLN A 45 -1.946 10.926 2.459 1.00 0.00 C ATOM 759 O GLN A 45 -1.772 10.745 1.254 1.00 0.00 O ATOM 760 CB GLN A 45 0.288 12.052 2.523 1.00 0.00 C ATOM 761 CG GLN A 45 1.305 12.856 3.315 1.00 0.00 C ATOM 762 CD GLN A 45 0.919 14.316 3.448 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.981 15.078 2.483 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.517 14.715 4.650 1.00 0.00 N ATOM 0 H GLN A 45 -1.149 12.057 5.330 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.549 12.855 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.702 11.066 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.119 12.540 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.413 12.421 4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.278 12.784 2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.481 14.050 5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.245 15.686 4.800 1.00 0.00 H new ATOM 773 N ASP A 46 -2.900 10.316 3.153 1.00 0.00 N ATOM 774 CA ASP A 46 -3.820 9.375 2.524 1.00 0.00 C ATOM 775 C ASP A 46 -4.972 10.111 1.846 1.00 0.00 C ATOM 776 O ASP A 46 -5.784 10.756 2.509 1.00 0.00 O ATOM 777 CB ASP A 46 -4.367 8.393 3.561 1.00 0.00 C ATOM 778 CG ASP A 46 -5.150 9.086 4.659 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.985 10.315 4.821 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.927 8.403 5.357 1.00 0.00 O ATOM 0 H ASP A 46 -3.057 10.456 4.151 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.269 8.820 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.009 7.665 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.540 7.838 4.004 1.00 0.00 H new ATOM 785 N HIS A 47 -5.037 10.008 0.522 1.00 0.00 N ATOM 786 CA HIS A 47 -6.091 10.665 -0.242 1.00 0.00 C ATOM 787 C HIS A 47 -6.107 10.172 -1.685 1.00 0.00 C ATOM 788 O HIS A 47 -5.276 9.354 -2.082 1.00 0.00 O ATOM 789 CB HIS A 47 -5.903 12.182 -0.210 1.00 0.00 C ATOM 790 CG HIS A 47 -4.512 12.620 -0.547 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.923 12.382 -1.771 1.00 0.00 N ATOM 792 CD2 HIS A 47 -3.589 13.285 0.189 1.00 0.00 C ATOM 793 CE1 HIS A 47 -2.699 12.881 -1.774 1.00 0.00 C ATOM 794 NE2 HIS A 47 -2.472 13.435 -0.597 1.00 0.00 N ATOM 0 H HIS A 47 -4.374 9.477 -0.043 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.047 10.415 0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.600 12.641 -0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.161 12.551 0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.709 13.633 1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.003 12.842 -2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.608 13.899 -0.317 1.00 0.00 H new ATOM 803 N ALA A 48 -7.057 10.675 -2.467 1.00 0.00 N ATOM 804 CA ALA A 48 -7.181 10.286 -3.867 1.00 0.00 C ATOM 805 C ALA A 48 -6.075 10.911 -4.711 1.00 0.00 C ATOM 806 O ALA A 48 -5.608 12.012 -4.424 1.00 0.00 O ATOM 807 CB ALA A 48 -8.547 10.684 -4.405 1.00 0.00 C ATOM 0 H ALA A 48 -7.752 11.353 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.080 9.202 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.626 10.388 -5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.325 10.186 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.670 11.764 -4.323 1.00 0.00 H new ATOM 813 N LEU A 49 -5.661 10.197 -5.752 1.00 0.00 N ATOM 814 CA LEU A 49 -4.609 10.681 -6.641 1.00 0.00 C ATOM 815 C LEU A 49 -5.201 11.218 -7.940 1.00 0.00 C ATOM 816 O LEU A 49 -6.419 11.258 -8.110 1.00 0.00 O ATOM 817 CB LEU A 49 -3.615 9.557 -6.945 1.00 0.00 C ATOM 818 CG LEU A 49 -2.757 9.117 -5.758 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.906 7.914 -6.133 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.878 10.265 -5.281 1.00 0.00 C ATOM 0 H LEU A 49 -6.037 9.282 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.085 11.494 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.168 8.693 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.956 9.882 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.420 8.829 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.302 7.614 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.553 7.088 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.252 8.176 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.274 9.934 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.223 10.583 -6.092 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.506 11.101 -4.973 1.00 0.00 H new ATOM 832 N LYS A 50 -4.330 11.633 -8.855 1.00 0.00 N ATOM 833 CA LYS A 50 -4.768 12.170 -10.139 1.00 0.00 C ATOM 834 C LYS A 50 -4.372 11.239 -11.281 1.00 0.00 C ATOM 835 O LYS A 50 -3.707 10.225 -11.067 1.00 0.00 O ATOM 836 CB LYS A 50 -4.165 13.557 -10.367 1.00 0.00 C ATOM 837 CG LYS A 50 -2.648 13.553 -10.462 1.00 0.00 C ATOM 838 CD LYS A 50 -2.002 13.623 -9.087 1.00 0.00 C ATOM 839 CE LYS A 50 -1.365 14.981 -8.838 1.00 0.00 C ATOM 840 NZ LYS A 50 -1.409 15.359 -7.398 1.00 0.00 N ATOM 0 H LYS A 50 -3.318 11.608 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.855 12.251 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.577 13.977 -11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.468 14.214 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.317 12.650 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.318 14.400 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.752 13.426 -8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.245 12.844 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.329 14.964 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.881 15.738 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.965 16.291 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.398 15.400 -7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.894 14.650 -6.837 1.00 0.00 H new ATOM 854 N GLY A 51 -4.786 11.590 -12.492 1.00 0.00 N ATOM 855 CA GLY A 51 -4.466 10.778 -13.651 1.00 0.00 C ATOM 856 C GLY A 51 -5.168 9.434 -13.632 1.00 0.00 C ATOM 857 O GLY A 51 -6.356 9.350 -13.319 1.00 0.00 O ATOM 0 H GLY A 51 -5.338 12.424 -12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.745 11.317 -14.556 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.388 10.620 -13.694 1.00 0.00 H new ATOM 861 N LYS A 52 -4.432 8.381 -13.970 1.00 0.00 N ATOM 862 CA LYS A 52 -4.990 7.033 -13.994 1.00 0.00 C ATOM 863 C LYS A 52 -5.455 6.606 -12.604 1.00 0.00 C ATOM 864 O LYS A 52 -6.343 5.764 -12.469 1.00 0.00 O ATOM 865 CB LYS A 52 -3.954 6.040 -14.523 1.00 0.00 C ATOM 866 CG LYS A 52 -3.562 6.283 -15.972 1.00 0.00 C ATOM 867 CD LYS A 52 -4.263 5.312 -16.912 1.00 0.00 C ATOM 868 CE LYS A 52 -3.267 4.411 -17.628 1.00 0.00 C ATOM 869 NZ LYS A 52 -2.981 4.886 -19.009 1.00 0.00 N ATOM 0 H LYS A 52 -3.447 8.434 -14.231 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.854 7.039 -14.659 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.061 6.093 -13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.350 5.029 -14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.814 7.306 -16.251 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.482 6.179 -16.080 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.967 4.701 -16.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.844 5.870 -17.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.339 4.372 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.660 3.395 -17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.299 4.245 -19.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.862 4.900 -19.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.582 5.846 -18.970 1.00 0.00 H new ATOM 883 N TRP A 53 -4.851 7.190 -11.574 1.00 0.00 N ATOM 884 CA TRP A 53 -5.207 6.865 -10.197 1.00 0.00 C ATOM 885 C TRP A 53 -6.202 7.876 -9.637 1.00 0.00 C ATOM 886 O TRP A 53 -6.123 8.262 -8.469 1.00 0.00 O ATOM 887 CB TRP A 53 -3.953 6.826 -9.319 1.00 0.00 C ATOM 888 CG TRP A 53 -3.118 5.600 -9.531 1.00 0.00 C ATOM 889 CD1 TRP A 53 -3.088 4.483 -8.748 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.191 5.369 -10.597 1.00 0.00 C ATOM 891 NE1 TRP A 53 -2.199 3.571 -9.262 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.635 4.092 -10.398 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.776 6.118 -11.702 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.688 3.547 -11.262 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.836 5.578 -12.559 1.00 0.00 C ATOM 896 CH2 TRP A 53 -0.302 4.303 -12.335 1.00 0.00 C ATOM 0 H TRP A 53 -4.114 7.889 -11.666 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.676 5.881 -10.193 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.348 7.709 -9.523 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.250 6.878 -8.271 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.677 4.337 -7.855 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.992 2.655 -8.864 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.183 7.102 -11.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.274 2.564 -11.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.508 6.148 -13.415 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.430 3.908 -13.024 1.00 0.00 H new ATOM 907 N LYS A 54 -7.141 8.303 -10.476 1.00 0.00 N ATOM 908 CA LYS A 54 -8.153 9.269 -10.064 1.00 0.00 C ATOM 909 C LYS A 54 -9.182 8.623 -9.138 1.00 0.00 C ATOM 910 O LYS A 54 -9.451 9.130 -8.050 1.00 0.00 O ATOM 911 CB LYS A 54 -8.850 9.864 -11.290 1.00 0.00 C ATOM 912 CG LYS A 54 -8.977 11.379 -11.241 1.00 0.00 C ATOM 913 CD LYS A 54 -9.611 11.926 -12.510 1.00 0.00 C ATOM 914 CE LYS A 54 -8.562 12.452 -13.476 1.00 0.00 C ATOM 915 NZ LYS A 54 -7.907 13.689 -12.967 1.00 0.00 N ATOM 0 H LYS A 54 -7.222 7.995 -11.445 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.654 10.068 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.296 9.583 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.844 9.427 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.579 11.667 -10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.991 11.824 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.192 11.142 -12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.306 12.726 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.807 11.684 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.027 12.658 -14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.495 14.216 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.613 14.283 -12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.155 13.433 -12.296 1.00 0.00 H new ATOM 929 N PRO A 55 -9.772 7.491 -9.559 1.00 0.00 N ATOM 930 CA PRO A 55 -10.772 6.779 -8.763 1.00 0.00 C ATOM 931 C PRO A 55 -10.149 5.854 -7.720 1.00 0.00 C ATOM 932 O PRO A 55 -10.831 5.003 -7.151 1.00 0.00 O ATOM 933 CB PRO A 55 -11.519 5.968 -9.817 1.00 0.00 C ATOM 934 CG PRO A 55 -10.487 5.660 -10.849 1.00 0.00 C ATOM 935 CD PRO A 55 -9.516 6.814 -10.846 1.00 0.00 C ATOM 0 HA PRO A 55 -11.400 7.458 -8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.940 5.057 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.348 6.535 -10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.977 4.724 -10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.945 5.541 -11.831 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.485 6.468 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.687 7.482 -11.690 1.00 0.00 H new ATOM 943 N PHE A 56 -8.852 6.021 -7.472 1.00 0.00 N ATOM 944 CA PHE A 56 -8.150 5.194 -6.497 1.00 0.00 C ATOM 945 C PHE A 56 -7.682 6.028 -5.309 1.00 0.00 C ATOM 946 O PHE A 56 -7.897 7.240 -5.264 1.00 0.00 O ATOM 947 CB PHE A 56 -6.953 4.502 -7.152 1.00 0.00 C ATOM 948 CG PHE A 56 -7.341 3.482 -8.185 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.500 3.847 -9.513 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.543 2.159 -7.829 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.856 2.911 -10.464 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.900 1.218 -8.776 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.057 1.595 -10.095 1.00 0.00 C ATOM 0 H PHE A 56 -8.268 6.720 -7.932 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.845 4.437 -6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.318 5.256 -7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.357 4.016 -6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.344 4.874 -9.807 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.420 1.859 -6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.977 3.208 -11.495 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.056 0.190 -8.485 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.337 0.862 -10.837 1.00 0.00 H new ATOM 963 N ARG A 57 -7.042 5.371 -4.346 1.00 0.00 N ATOM 964 CA ARG A 57 -6.543 6.050 -3.156 1.00 0.00 C ATOM 965 C ARG A 57 -5.091 5.672 -2.883 1.00 0.00 C ATOM 966 O ARG A 57 -4.656 4.567 -3.205 1.00 0.00 O ATOM 967 CB ARG A 57 -7.411 5.704 -1.946 1.00 0.00 C ATOM 968 CG ARG A 57 -7.248 6.671 -0.784 1.00 0.00 C ATOM 969 CD ARG A 57 -8.497 7.516 -0.578 1.00 0.00 C ATOM 970 NE ARG A 57 -9.271 7.075 0.580 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.553 7.377 0.775 1.00 0.00 C ATOM 972 NH1 ARG A 57 -11.208 8.121 -0.107 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.181 6.935 1.856 1.00 0.00 N ATOM 0 H ARG A 57 -6.857 4.368 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.591 7.125 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.457 5.690 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.164 4.698 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.032 6.113 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.394 7.322 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.211 8.560 -0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.120 7.466 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.801 6.502 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.729 8.465 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.190 8.349 0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.682 6.364 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.163 7.166 2.006 1.00 0.00 H new ATOM 987 N GLU A 58 -4.345 6.597 -2.287 1.00 0.00 N ATOM 988 CA GLU A 58 -2.941 6.359 -1.972 1.00 0.00 C ATOM 989 C GLU A 58 -2.642 6.710 -0.519 1.00 0.00 C ATOM 990 O GLU A 58 -3.472 7.301 0.171 1.00 0.00 O ATOM 991 CB GLU A 58 -2.044 7.182 -2.900 1.00 0.00 C ATOM 992 CG GLU A 58 -0.782 6.455 -3.329 1.00 0.00 C ATOM 993 CD GLU A 58 0.428 7.369 -3.385 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.686 8.073 -2.386 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.115 7.382 -4.426 1.00 0.00 O ATOM 0 H GLU A 58 -4.689 7.517 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.735 5.299 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.612 7.460 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.766 8.108 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.584 5.638 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.941 6.008 -4.310 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.451 6.340 -0.059 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.039 6.613 1.312 1.00 0.00 C ATOM 1004 C CYS A 59 0.466 6.427 1.476 1.00 0.00 C ATOM 1005 O CYS A 59 1.020 5.395 1.094 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.785 5.696 2.281 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.527 6.097 4.024 1.00 0.00 S ATOM 0 H CYS A 59 -0.753 5.849 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.285 7.650 1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.852 5.745 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.470 4.667 2.106 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.501 5.438 4.474 1.00 0.00 H new ATOM 1013 N HIS A 60 1.120 7.430 2.050 1.00 0.00 N ATOM 1014 CA HIS A 60 2.561 7.377 2.269 1.00 0.00 C ATOM 1015 C HIS A 60 2.880 6.808 3.648 1.00 0.00 C ATOM 1016 O HIS A 60 3.106 7.554 4.600 1.00 0.00 O ATOM 1017 CB HIS A 60 3.174 8.771 2.127 1.00 0.00 C ATOM 1018 CG HIS A 60 3.084 9.327 0.739 1.00 0.00 C ATOM 1019 ND1 HIS A 60 2.330 8.950 -0.321 1.00 0.00 N flip ATOM 1020 CD2 HIS A 60 3.833 10.404 0.310 1.00 0.00 C flip ATOM 1021 CE1 HIS A 60 2.633 9.798 -1.358 1.00 0.00 C flip ATOM 1022 NE2 HIS A 60 3.542 10.665 -0.952 1.00 0.00 N flip ATOM 0 H HIS A 60 0.676 8.290 2.372 1.00 0.00 H new ATOM 0 HA HIS A 60 2.993 6.720 1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.672 9.451 2.815 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.221 8.730 2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 60 1.662 8.180 -0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.546 10.948 0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.198 9.761 -2.346 1.00 0.00 H new ATOM 1031 N ILE A 61 2.895 5.482 3.748 1.00 0.00 N ATOM 1032 CA ILE A 61 3.185 4.812 5.009 1.00 0.00 C ATOM 1033 C ILE A 61 4.541 5.242 5.561 1.00 0.00 C ATOM 1034 O ILE A 61 4.655 5.634 6.724 1.00 0.00 O ATOM 1035 CB ILE A 61 3.171 3.280 4.850 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.891 2.833 4.138 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.299 2.600 6.206 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.087 2.547 2.665 1.00 0.00 C ATOM 0 H ILE A 61 2.709 4.850 2.969 1.00 0.00 H new ATOM 0 HA ILE A 61 2.401 5.103 5.708 1.00 0.00 H new ATOM 0 HB ILE A 61 4.026 2.985 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.508 1.937 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.132 3.607 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.287 1.518 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.237 2.898 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.465 2.897 6.842 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.139 2.236 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.441 3.448 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.822 1.751 2.544 1.00 0.00 H new ATOM 1050 N LYS A 62 5.564 5.167 4.719 1.00 0.00 N ATOM 1051 CA LYS A 62 6.915 5.548 5.117 1.00 0.00 C ATOM 1052 C LYS A 62 7.381 6.769 4.326 1.00 0.00 C ATOM 1053 O LYS A 62 6.707 7.206 3.394 1.00 0.00 O ATOM 1054 CB LYS A 62 7.882 4.380 4.900 1.00 0.00 C ATOM 1055 CG LYS A 62 7.312 3.031 5.309 1.00 0.00 C ATOM 1056 CD LYS A 62 7.306 2.865 6.820 1.00 0.00 C ATOM 1057 CE LYS A 62 8.672 2.445 7.340 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.400 3.581 7.969 1.00 0.00 N ATOM 0 H LYS A 62 5.484 4.845 3.754 1.00 0.00 H new ATOM 0 HA LYS A 62 6.903 5.803 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.162 4.342 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.795 4.566 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.296 2.933 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.901 2.233 4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.010 3.803 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.563 2.119 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.552 1.643 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.266 2.044 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.063 3.216 8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.929 4.101 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.718 4.221 8.425 1.00 0.00 H new ATOM 1072 N PRO A 63 8.546 7.339 4.687 1.00 0.00 N ATOM 1073 CA PRO A 63 9.094 8.517 4.004 1.00 0.00 C ATOM 1074 C PRO A 63 9.519 8.225 2.568 1.00 0.00 C ATOM 1075 O PRO A 63 9.925 9.128 1.835 1.00 0.00 O ATOM 1076 CB PRO A 63 10.314 8.905 4.854 1.00 0.00 C ATOM 1077 CG PRO A 63 10.170 8.142 6.130 1.00 0.00 C ATOM 1078 CD PRO A 63 9.412 6.895 5.785 1.00 0.00 C ATOM 0 HA PRO A 63 8.348 9.308 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.244 8.649 4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.338 9.979 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.146 7.901 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.636 8.729 6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.077 6.089 5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.835 6.524 6.632 1.00 0.00 H new ATOM 1086 N ASP A 64 9.423 6.965 2.172 1.00 0.00 N ATOM 1087 CA ASP A 64 9.796 6.554 0.823 1.00 0.00 C ATOM 1088 C ASP A 64 8.914 5.405 0.341 1.00 0.00 C ATOM 1089 O ASP A 64 9.341 4.579 -0.465 1.00 0.00 O ATOM 1090 CB ASP A 64 11.266 6.136 0.782 1.00 0.00 C ATOM 1091 CG ASP A 64 12.182 7.279 0.391 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.418 8.168 1.234 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.662 7.285 -0.763 1.00 0.00 O ATOM 0 H ASP A 64 9.089 6.206 2.766 1.00 0.00 H new ATOM 0 HA ASP A 64 9.650 7.405 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.560 5.757 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.388 5.317 0.073 1.00 0.00 H new ATOM 1098 N VAL A 65 7.681 5.357 0.840 1.00 0.00 N ATOM 1099 CA VAL A 65 6.744 4.309 0.456 1.00 0.00 C ATOM 1100 C VAL A 65 5.354 4.876 0.191 1.00 0.00 C ATOM 1101 O VAL A 65 4.919 5.821 0.849 1.00 0.00 O ATOM 1102 CB VAL A 65 6.642 3.218 1.540 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.701 2.105 1.098 1.00 0.00 C ATOM 1104 CG2 VAL A 65 8.016 2.660 1.863 1.00 0.00 C ATOM 0 H VAL A 65 7.310 6.031 1.510 1.00 0.00 H new ATOM 0 HA VAL A 65 7.132 3.866 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 65 6.233 3.670 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.644 1.346 1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.708 2.518 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.077 1.654 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.925 1.891 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.453 2.226 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.658 3.462 2.227 1.00 0.00 H new ATOM 1114 N LEU A 66 4.665 4.287 -0.778 1.00 0.00 N ATOM 1115 CA LEU A 66 3.319 4.719 -1.139 1.00 0.00 C ATOM 1116 C LEU A 66 2.578 3.607 -1.877 1.00 0.00 C ATOM 1117 O LEU A 66 2.926 3.262 -3.007 1.00 0.00 O ATOM 1118 CB LEU A 66 3.363 5.986 -2.007 1.00 0.00 C ATOM 1119 CG LEU A 66 4.758 6.439 -2.451 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.693 7.092 -3.824 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.359 7.397 -1.430 1.00 0.00 C ATOM 0 H LEU A 66 5.017 3.505 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 66 2.783 4.949 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.756 5.816 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.896 6.800 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 66 5.401 5.561 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.692 7.408 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.305 6.377 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.035 7.960 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.350 7.708 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.718 8.273 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.440 6.896 -0.465 1.00 0.00 H new ATOM 1133 N LEU A 67 1.563 3.045 -1.232 1.00 0.00 N ATOM 1134 CA LEU A 67 0.782 1.968 -1.832 1.00 0.00 C ATOM 1135 C LEU A 67 -0.638 2.430 -2.150 1.00 0.00 C ATOM 1136 O LEU A 67 -1.261 3.144 -1.364 1.00 0.00 O ATOM 1137 CB LEU A 67 0.760 0.748 -0.897 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.527 0.547 -0.090 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.552 -0.233 -0.902 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.227 -0.167 1.219 1.00 0.00 C ATOM 0 H LEU A 67 1.261 3.316 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 67 1.256 1.682 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.935 -0.147 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.594 0.834 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.946 1.527 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.459 -0.366 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.789 0.316 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.143 -1.209 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.152 -0.302 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.215 -1.141 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.471 0.429 1.807 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.142 2.016 -3.308 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.486 2.381 -3.732 1.00 0.00 C ATOM 1154 C VAL A 68 -3.508 1.367 -3.226 1.00 0.00 C ATOM 1155 O VAL A 68 -3.260 0.161 -3.243 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.585 2.475 -5.266 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.961 2.968 -5.689 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.495 3.382 -5.814 1.00 0.00 C ATOM 0 H VAL A 68 -0.637 1.426 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.703 3.360 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.442 1.477 -5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.008 3.027 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.722 2.275 -5.330 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.140 3.956 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.579 3.437 -6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.605 4.380 -5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.518 2.980 -5.546 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.656 1.862 -2.778 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.713 0.996 -2.267 1.00 0.00 C ATOM 1170 C TYR A 69 -7.080 1.652 -2.421 1.00 0.00 C ATOM 1171 O TYR A 69 -7.184 2.801 -2.851 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.458 0.661 -0.796 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.329 1.879 0.090 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -4.279 2.774 -0.076 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -6.257 2.135 1.091 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -4.157 3.888 0.733 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -6.142 3.248 1.903 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.090 4.120 1.719 1.00 0.00 C ATOM 1179 OH TYR A 69 -4.974 5.229 2.526 1.00 0.00 O ATOM 0 H TYR A 69 -4.879 2.857 -2.758 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.706 0.075 -2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.274 0.039 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.546 0.069 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.547 2.596 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.082 1.454 1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.334 4.573 0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.872 3.433 2.677 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.714 5.245 3.169 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.127 0.913 -2.071 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.490 1.421 -2.169 1.00 0.00 C ATOM 1191 C LEU A 70 -10.250 1.195 -0.865 1.00 0.00 C ATOM 1192 O LEU A 70 -9.982 0.239 -0.136 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.227 0.744 -3.328 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.066 1.682 -4.197 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.192 2.764 -4.813 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.790 0.897 -5.283 1.00 0.00 C ATOM 0 H LEU A 70 -8.058 -0.041 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.439 2.493 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.495 0.244 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.878 -0.030 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.812 2.163 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.806 3.422 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.719 3.345 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.423 2.302 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.382 1.580 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.060 0.389 -5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.447 0.159 -4.822 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.198 2.082 -0.577 1.00 0.00 N ATOM 1209 CA VAL A 71 -11.996 1.978 0.639 1.00 0.00 C ATOM 1210 C VAL A 71 -13.417 1.522 0.326 1.00 0.00 C ATOM 1211 O VAL A 71 -14.195 2.257 -0.282 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.053 3.321 1.390 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -12.720 3.146 2.746 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -10.658 3.908 1.545 1.00 0.00 C ATOM 0 H VAL A 71 -11.432 2.879 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.511 1.236 1.274 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.651 4.019 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.751 4.105 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.736 2.775 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.152 2.432 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.720 4.857 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.032 3.215 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.221 4.073 0.560 1.00 0.00 H new ATOM 1224 N LYS A 72 -13.748 0.306 0.745 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.075 -0.247 0.510 1.00 0.00 C ATOM 1226 C LYS A 72 -15.924 -0.182 1.777 1.00 0.00 C ATOM 1227 O LYS A 72 -15.417 0.098 2.862 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.967 -1.696 0.024 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.730 -1.963 -1.263 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.962 -2.819 -1.015 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.590 -4.273 -0.771 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.547 -4.944 0.151 1.00 0.00 N ATOM 0 H LYS A 72 -13.115 -0.315 1.249 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.561 0.351 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.916 -1.942 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.340 -2.361 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.029 -1.016 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.076 -2.463 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.508 -2.433 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.631 -2.753 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.567 -4.806 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.585 -4.325 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.031 -5.603 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.027 -4.229 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.253 -5.469 -0.403 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.220 -0.440 1.630 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.139 -0.409 2.762 1.00 0.00 C ATOM 1248 C ASP A 73 -17.760 -1.461 3.801 1.00 0.00 C ATOM 1249 O ASP A 73 -17.929 -2.658 3.575 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.575 -0.638 2.288 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.067 0.471 1.377 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.358 0.796 0.401 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.160 1.014 1.640 1.00 0.00 O ATOM 0 H ASP A 73 -17.657 -0.673 0.738 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.070 0.575 3.226 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.633 -1.590 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.233 -0.712 3.154 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.246 -1.002 4.937 1.00 0.00 N ATOM 1259 CA ASP A 74 -16.844 -1.901 6.014 1.00 0.00 C ATOM 1260 C ASP A 74 -15.799 -2.903 5.531 1.00 0.00 C ATOM 1261 O ASP A 74 -15.653 -3.985 6.100 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.061 -2.644 6.567 1.00 0.00 C ATOM 1263 CG ASP A 74 -17.896 -3.016 8.028 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -17.117 -2.337 8.729 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -18.548 -3.986 8.470 1.00 0.00 O ATOM 0 H ASP A 74 -17.098 -0.013 5.136 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.402 -1.298 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.947 -2.020 6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.229 -3.548 5.981 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.073 -2.538 4.478 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.042 -3.407 3.921 1.00 0.00 C ATOM 1272 C GLU A 75 -13.053 -2.605 3.080 1.00 0.00 C ATOM 1273 O GLU A 75 -13.440 -1.686 2.359 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.678 -4.508 3.070 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.390 -5.574 3.887 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.755 -6.793 3.063 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -16.142 -6.621 1.888 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -15.653 -7.919 3.592 1.00 0.00 O ATOM 0 H GLU A 75 -15.180 -1.647 3.994 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.501 -3.865 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.390 -4.056 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.904 -4.982 2.466 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.751 -5.878 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.295 -5.149 4.321 1.00 0.00 H new ATOM 1285 N LEU A 76 -11.776 -2.960 3.176 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.733 -2.272 2.424 1.00 0.00 C ATOM 1287 C LEU A 76 -10.005 -3.238 1.495 1.00 0.00 C ATOM 1288 O LEU A 76 -9.863 -4.421 1.801 1.00 0.00 O ATOM 1289 CB LEU A 76 -9.734 -1.616 3.378 1.00 0.00 C ATOM 1290 CG LEU A 76 -8.736 -0.660 2.715 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -8.912 0.755 3.246 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.308 -1.138 2.935 1.00 0.00 C ATOM 0 H LEU A 76 -11.439 -3.720 3.767 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.207 -1.500 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.288 -1.067 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.177 -2.400 3.892 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.935 -0.651 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.194 1.417 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.924 1.100 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.744 0.763 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.615 -0.446 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.099 -1.180 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.186 -2.131 2.502 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.547 -2.726 0.357 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.836 -3.543 -0.617 1.00 0.00 C ATOM 1306 C ILE A 77 -7.545 -2.867 -1.069 1.00 0.00 C ATOM 1307 O ILE A 77 -7.532 -1.675 -1.377 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.713 -3.838 -1.852 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.993 -2.550 -2.632 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.017 -4.500 -1.428 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.094 -2.364 -3.835 1.00 0.00 C ATOM 0 H ILE A 77 -9.656 -1.748 0.088 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.593 -4.483 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.173 -4.523 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.032 -2.553 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.873 -1.697 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.626 -4.702 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.799 -5.436 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.561 -3.836 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.349 -1.432 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.054 -2.328 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.231 -3.198 -4.524 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.463 -3.638 -1.112 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.169 -3.112 -1.532 1.00 0.00 C ATOM 1325 C LEU A 78 -5.041 -3.147 -3.052 1.00 0.00 C ATOM 1326 O LEU A 78 -5.389 -4.142 -3.689 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.034 -3.913 -0.892 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.988 -3.867 0.636 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.752 -4.586 1.153 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.016 -2.427 1.129 1.00 0.00 C ATOM 0 H LEU A 78 -6.456 -4.627 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.099 -2.076 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.122 -4.953 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.085 -3.542 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.870 -4.378 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.735 -4.544 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.775 -5.627 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.858 -4.104 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.983 -2.415 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.154 -1.890 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.932 -1.944 0.789 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.542 -2.059 -3.627 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.372 -1.970 -5.072 1.00 0.00 C ATOM 1344 C LEU A 79 -2.963 -2.388 -5.485 1.00 0.00 C ATOM 1345 O LEU A 79 -2.786 -3.353 -6.226 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.666 -0.547 -5.555 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.747 -0.441 -6.633 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.410 -1.336 -7.815 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.107 -0.804 -6.057 1.00 0.00 C ATOM 0 H LEU A 79 -4.248 -1.227 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.080 -2.655 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.967 0.056 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.744 -0.113 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.786 0.590 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.189 -1.248 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.454 -1.031 -8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.344 -2.371 -7.480 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.865 -0.724 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.081 -1.826 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.351 -0.122 -5.242 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.965 -1.657 -5.000 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.574 -1.962 -5.325 1.00 0.00 C ATOM 1363 C ARG A 80 0.388 -1.140 -4.471 1.00 0.00 C ATOM 1364 O ARG A 80 -0.029 -0.278 -3.700 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.311 -1.704 -6.811 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.327 -0.231 -7.191 1.00 0.00 C ATOM 1367 CD ARG A 80 1.074 0.292 -7.479 1.00 0.00 C ATOM 1368 NE ARG A 80 1.202 0.788 -8.847 1.00 0.00 N ATOM 1369 CZ ARG A 80 1.392 0.004 -9.906 1.00 0.00 C ATOM 1370 NH1 ARG A 80 1.479 -1.312 -9.760 1.00 0.00 N ATOM 1371 NH2 ARG A 80 1.499 0.538 -11.115 1.00 0.00 N ATOM 0 H ARG A 80 -2.091 -0.854 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.401 -3.016 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.657 -2.128 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.063 -2.230 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.956 -0.089 -8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.773 0.349 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.313 1.093 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.800 -0.504 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 80 1.142 1.795 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.400 -1.729 -8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.625 -1.907 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.436 1.549 -11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.645 -0.062 -11.927 1.00 0.00 H new ATOM 1385 N LEU A 81 1.680 -1.419 -4.619 1.00 0.00 N ATOM 1386 CA LEU A 81 2.709 -0.711 -3.865 1.00 0.00 C ATOM 1387 C LEU A 81 3.617 0.083 -4.801 1.00 0.00 C ATOM 1388 O LEU A 81 3.940 -0.369 -5.898 1.00 0.00 O ATOM 1389 CB LEU A 81 3.542 -1.704 -3.049 1.00 0.00 C ATOM 1390 CG LEU A 81 4.463 -1.079 -1.998 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.643 -0.385 -2.662 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.691 -0.104 -1.122 1.00 0.00 C ATOM 0 H LEU A 81 2.039 -2.131 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 81 2.217 -0.014 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.864 -2.396 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.150 -2.293 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 81 4.849 -1.877 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.285 0.052 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.213 -1.111 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.278 0.401 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.363 0.330 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.273 0.689 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.883 -0.632 -0.615 1.00 0.00 H new ATOM 1404 N GLY A 82 4.024 1.268 -4.358 1.00 0.00 N ATOM 1405 CA GLY A 82 4.890 2.104 -5.167 1.00 0.00 C ATOM 1406 C GLY A 82 5.826 2.954 -4.328 1.00 0.00 C ATOM 1407 O GLY A 82 5.823 2.863 -3.101 1.00 0.00 O ATOM 0 H GLY A 82 3.769 1.664 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.477 1.474 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.280 2.753 -5.795 1.00 0.00 H new ATOM 1411 N SER A 83 6.627 3.781 -4.993 1.00 0.00 N ATOM 1412 CA SER A 83 7.571 4.651 -4.300 1.00 0.00 C ATOM 1413 C SER A 83 7.595 6.039 -4.930 1.00 0.00 C ATOM 1414 O SER A 83 6.919 6.291 -5.928 1.00 0.00 O ATOM 1415 CB SER A 83 8.973 4.041 -4.330 1.00 0.00 C ATOM 1416 OG SER A 83 9.044 2.881 -3.519 1.00 0.00 O ATOM 0 H SER A 83 6.641 3.867 -6.009 1.00 0.00 H new ATOM 0 HA SER A 83 7.245 4.748 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.241 3.788 -5.356 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.700 4.776 -3.983 1.00 0.00 H new ATOM 0 HG SER A 83 9.899 2.869 -3.040 1.00 0.00 H new ATOM 1422 N HIS A 84 8.377 6.937 -4.341 1.00 0.00 N ATOM 1423 CA HIS A 84 8.489 8.301 -4.844 1.00 0.00 C ATOM 1424 C HIS A 84 9.109 8.319 -6.239 1.00 0.00 C ATOM 1425 O HIS A 84 8.816 9.199 -7.047 1.00 0.00 O ATOM 1426 CB HIS A 84 9.330 9.151 -3.890 1.00 0.00 C ATOM 1427 CG HIS A 84 8.932 10.594 -3.870 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.425 11.524 -4.763 1.00 0.00 N ATOM 1429 CD2 HIS A 84 8.083 11.269 -3.058 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.897 12.707 -4.499 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.079 12.579 -3.470 1.00 0.00 N ATOM 0 H HIS A 84 8.943 6.745 -3.514 1.00 0.00 H new ATOM 0 HA HIS A 84 7.485 8.721 -4.907 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.245 8.744 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.379 9.075 -4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.515 10.854 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.100 13.623 -5.034 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.533 13.331 -3.050 1.00 0.00 H new ATOM 1440 N SER A 85 9.966 7.340 -6.512 1.00 0.00 N ATOM 1441 CA SER A 85 10.628 7.244 -7.809 1.00 0.00 C ATOM 1442 C SER A 85 9.784 6.436 -8.793 1.00 0.00 C ATOM 1443 O SER A 85 9.833 6.665 -10.001 1.00 0.00 O ATOM 1444 CB SER A 85 12.007 6.603 -7.656 1.00 0.00 C ATOM 1445 OG SER A 85 12.767 7.259 -6.658 1.00 0.00 O ATOM 0 H SER A 85 10.218 6.603 -5.854 1.00 0.00 H new ATOM 0 HA SER A 85 10.747 8.253 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.895 5.550 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.538 6.644 -8.607 1.00 0.00 H new ATOM 0 HG SER A 85 13.644 6.829 -6.579 1.00 0.00 H new ATOM 1451 N GLU A 86 9.013 5.491 -8.266 1.00 0.00 N ATOM 1452 CA GLU A 86 8.160 4.649 -9.097 1.00 0.00 C ATOM 1453 C GLU A 86 6.944 5.427 -9.592 1.00 0.00 C ATOM 1454 O GLU A 86 6.816 5.706 -10.785 1.00 0.00 O ATOM 1455 CB GLU A 86 7.710 3.414 -8.314 1.00 0.00 C ATOM 1456 CG GLU A 86 8.087 2.100 -8.981 1.00 0.00 C ATOM 1457 CD GLU A 86 8.225 0.961 -7.990 1.00 0.00 C ATOM 1458 OE1 GLU A 86 9.233 0.935 -7.254 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.324 0.097 -7.948 1.00 0.00 O ATOM 0 H GLU A 86 8.961 5.289 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 86 8.739 4.329 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.150 3.446 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.628 3.450 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.330 1.842 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.028 2.226 -9.517 1.00 0.00 H new ATOM 1466 N LEU A 87 6.055 5.773 -8.668 1.00 0.00 N ATOM 1467 CA LEU A 87 4.848 6.519 -9.011 1.00 0.00 C ATOM 1468 C LEU A 87 5.188 7.949 -9.415 1.00 0.00 C ATOM 1469 O LEU A 87 4.517 8.541 -10.261 1.00 0.00 O ATOM 1470 CB LEU A 87 3.876 6.528 -7.829 1.00 0.00 C ATOM 1471 CG LEU A 87 3.637 5.165 -7.176 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.614 5.283 -6.057 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.180 4.152 -8.214 1.00 0.00 C ATOM 0 H LEU A 87 6.146 5.550 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 87 4.374 6.024 -9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.255 7.215 -7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.919 6.924 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 87 4.577 4.817 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.456 4.304 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.980 5.978 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.672 5.651 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.014 3.188 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.252 4.494 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.946 4.047 -8.982 1.00 0.00 H new ATOM 1485 N PHE A 88 6.234 8.500 -8.808 1.00 0.00 N ATOM 1486 CA PHE A 88 6.662 9.861 -9.106 1.00 0.00 C ATOM 1487 C PHE A 88 8.102 9.882 -9.607 1.00 0.00 C ATOM 1488 O PHE A 88 8.578 8.828 -10.080 1.00 0.00 O ATOM 1489 CB PHE A 88 6.530 10.743 -7.863 1.00 0.00 C ATOM 1490 CG PHE A 88 5.146 11.289 -7.658 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.728 12.426 -8.334 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.262 10.667 -6.789 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.454 12.930 -8.147 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.988 11.167 -6.600 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.585 12.300 -7.279 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.742 10.951 -9.526 1.00 0.00 O ATOM 0 H PHE A 88 6.801 8.024 -8.106 1.00 0.00 H new ATOM 0 HA PHE A 88 6.017 10.253 -9.892 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.817 10.164 -6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.232 11.574 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.405 12.923 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.573 9.782 -6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.139 13.815 -8.679 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.308 10.672 -5.922 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.590 12.693 -7.131 1.00 0.00 H new TER 1506 PHE A 88