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 -177:sc= 0 (180deg=-0.00593) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.00483 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0337) USER MOD Single : A 5 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.3!) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0717) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -46:sc= 0.702 USER MOD Single : A 11 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 25 SER OG : rot -104:sc= -0.313! USER MOD Single : A 28 ASN : amide:sc= -0.17 K(o=-0.17,f=-1!) USER MOD Single : A 33 THR OG1 : rot 74:sc= -0.134 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= -0.114 X(o=-0.11,f=-0.037) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.15) 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= -2.31 USER MOD Single : A 60 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-3.9!) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= -0.367 (180deg=-0.673) 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 -81:sc= 0.085 USER MOD Single : A 84 HIS : no HD1:sc= -0.0865 X(o=-0.086,f=-0.29) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.031 -5.162 12.554 1.00 0.00 N ATOM 2 CA MET A 1 -11.582 -4.112 11.602 1.00 0.00 C ATOM 3 C MET A 1 -12.155 -4.353 10.208 1.00 0.00 C ATOM 4 O MET A 1 -12.686 -5.425 9.920 1.00 0.00 O ATOM 5 CB MET A 1 -10.053 -4.120 11.553 1.00 0.00 C ATOM 6 CG MET A 1 -9.442 -2.732 11.442 1.00 0.00 C ATOM 7 SD MET A 1 -9.176 -1.960 13.048 1.00 0.00 S ATOM 8 CE MET A 1 -10.411 -0.663 13.007 1.00 0.00 C ATOM 0 H1 MET A 1 -12.299 -4.721 13.457 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.851 -5.663 12.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.257 -5.838 12.715 1.00 0.00 H new ATOM 0 HA MET A 1 -11.942 -3.141 11.943 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.671 -4.606 12.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.728 -4.720 10.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.491 -2.799 10.914 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.096 -2.098 10.843 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.336 -0.061 13.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.245 -0.030 12.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.404 -1.108 12.948 1.00 0.00 H new ATOM 20 N LEU A 2 -12.045 -3.344 9.347 1.00 0.00 N ATOM 21 CA LEU A 2 -12.553 -3.444 7.983 1.00 0.00 C ATOM 22 C LEU A 2 -11.928 -4.628 7.250 1.00 0.00 C ATOM 23 O LEU A 2 -10.936 -5.198 7.703 1.00 0.00 O ATOM 24 CB LEU A 2 -12.275 -2.149 7.215 1.00 0.00 C ATOM 25 CG LEU A 2 -10.823 -1.667 7.254 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.939 -2.562 6.399 1.00 0.00 C ATOM 27 CD2 LEU A 2 -10.732 -0.221 6.788 1.00 0.00 C ATOM 0 H LEU A 2 -11.609 -2.449 9.570 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.630 -3.603 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.565 -2.293 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.913 -1.362 7.618 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.469 -1.721 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.911 -2.203 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.982 -3.584 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.290 -2.541 5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.693 0.107 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.104 -0.144 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.333 0.411 7.442 1.00 0.00 H new ATOM 39 N LYS A 3 -12.516 -4.993 6.117 1.00 0.00 N ATOM 40 CA LYS A 3 -12.020 -6.110 5.322 1.00 0.00 C ATOM 41 C LYS A 3 -10.860 -5.673 4.433 1.00 0.00 C ATOM 42 O LYS A 3 -10.749 -4.503 4.069 1.00 0.00 O ATOM 43 CB LYS A 3 -13.145 -6.689 4.461 1.00 0.00 C ATOM 44 CG LYS A 3 -12.946 -8.152 4.102 1.00 0.00 C ATOM 45 CD LYS A 3 -12.343 -8.312 2.714 1.00 0.00 C ATOM 46 CE LYS A 3 -13.243 -7.721 1.643 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.911 -8.243 0.288 1.00 0.00 N ATOM 0 H LYS A 3 -13.338 -4.531 5.728 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.661 -6.879 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.091 -6.579 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.225 -6.106 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.295 -8.622 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.903 -8.671 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.369 -7.824 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.177 -9.369 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.283 -7.950 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.147 -6.635 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.373 -7.654 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.881 -8.217 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.248 -9.223 0.202 1.00 0.00 H new ATOM 61 N LEU A 4 -9.999 -6.623 4.086 1.00 0.00 N ATOM 62 CA LEU A 4 -8.847 -6.338 3.237 1.00 0.00 C ATOM 63 C LEU A 4 -8.874 -7.199 1.979 1.00 0.00 C ATOM 64 O LEU A 4 -9.326 -8.344 2.005 1.00 0.00 O ATOM 65 CB LEU A 4 -7.548 -6.581 4.006 1.00 0.00 C ATOM 66 CG LEU A 4 -6.275 -6.140 3.280 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.841 -4.761 3.752 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.160 -7.154 3.495 1.00 0.00 C ATOM 0 H LEU A 4 -10.076 -7.597 4.379 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.895 -5.290 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.605 -6.057 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.470 -7.645 4.231 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.489 -6.085 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.934 -4.465 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.632 -4.040 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.645 -4.788 4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.262 -6.824 2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.948 -7.241 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.471 -8.124 3.107 1.00 0.00 H new ATOM 80 N ASN A 5 -8.386 -6.640 0.876 1.00 0.00 N ATOM 81 CA ASN A 5 -8.352 -7.357 -0.393 1.00 0.00 C ATOM 82 C ASN A 5 -7.012 -7.156 -1.095 1.00 0.00 C ATOM 83 O ASN A 5 -6.176 -6.373 -0.645 1.00 0.00 O ATOM 84 CB ASN A 5 -9.493 -6.888 -1.298 1.00 0.00 C ATOM 85 CG ASN A 5 -10.220 -8.042 -1.959 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.156 -9.180 -1.492 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.914 -7.756 -3.054 1.00 0.00 N ATOM 0 H ASN A 5 -8.009 -5.693 0.836 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.477 -8.420 -0.186 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.202 -6.304 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.094 -6.226 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.422 -8.493 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.940 -6.799 -3.406 1.00 0.00 H new ATOM 94 N LEU A 6 -6.816 -7.867 -2.199 1.00 0.00 N ATOM 95 CA LEU A 6 -5.580 -7.767 -2.963 1.00 0.00 C ATOM 96 C LEU A 6 -5.850 -7.899 -4.458 1.00 0.00 C ATOM 97 O LEU A 6 -6.645 -8.738 -4.883 1.00 0.00 O ATOM 98 CB LEU A 6 -4.589 -8.842 -2.515 1.00 0.00 C ATOM 99 CG LEU A 6 -4.335 -8.900 -1.006 1.00 0.00 C ATOM 100 CD1 LEU A 6 -5.204 -9.968 -0.360 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.864 -9.165 -0.722 1.00 0.00 C ATOM 0 H LEU A 6 -7.498 -8.520 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.147 -6.784 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.957 -9.814 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.639 -8.673 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.599 -7.934 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.010 -9.995 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.255 -9.736 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.971 -10.940 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.702 -9.203 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.573 -10.117 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.261 -8.365 -1.151 1.00 0.00 H new ATOM 113 N LYS A 7 -5.184 -7.065 -5.248 1.00 0.00 N ATOM 114 CA LYS A 7 -5.353 -7.088 -6.697 1.00 0.00 C ATOM 115 C LYS A 7 -4.139 -7.714 -7.375 1.00 0.00 C ATOM 116 O LYS A 7 -3.121 -7.969 -6.732 1.00 0.00 O ATOM 117 CB LYS A 7 -5.575 -5.671 -7.227 1.00 0.00 C ATOM 118 CG LYS A 7 -6.797 -4.987 -6.638 1.00 0.00 C ATOM 119 CD LYS A 7 -8.088 -5.600 -7.161 1.00 0.00 C ATOM 120 CE LYS A 7 -9.068 -5.897 -6.036 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.337 -5.133 -6.189 1.00 0.00 N ATOM 0 H LYS A 7 -4.523 -6.365 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.228 -7.695 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.692 -5.069 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.678 -5.709 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.770 -5.066 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.773 -3.925 -6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.550 -4.919 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.862 -6.521 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.287 -6.965 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.608 -5.649 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.929 -5.270 -5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.122 -4.122 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.848 -5.473 -7.029 1.00 0.00 H new ATOM 135 N LYS A 8 -4.254 -7.958 -8.675 1.00 0.00 N ATOM 136 CA LYS A 8 -3.167 -8.553 -9.442 1.00 0.00 C ATOM 137 C LYS A 8 -1.913 -7.686 -9.376 1.00 0.00 C ATOM 138 O LYS A 8 -0.793 -8.189 -9.446 1.00 0.00 O ATOM 139 CB LYS A 8 -3.589 -8.748 -10.900 1.00 0.00 C ATOM 140 CG LYS A 8 -2.611 -9.582 -11.710 1.00 0.00 C ATOM 141 CD LYS A 8 -2.887 -9.471 -13.201 1.00 0.00 C ATOM 142 CE LYS A 8 -1.747 -10.049 -14.024 1.00 0.00 C ATOM 143 NZ LYS A 8 -2.211 -10.559 -15.345 1.00 0.00 N ATOM 0 H LYS A 8 -5.091 -7.752 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.938 -9.524 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.569 -9.226 -10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.698 -7.771 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.592 -9.255 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.679 -10.626 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.812 -9.995 -13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.035 -8.425 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.987 -9.283 -14.178 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.274 -10.859 -13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.401 -10.944 -15.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.917 -11.309 -15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.639 -9.781 -15.887 1.00 0.00 H new ATOM 157 N SER A 9 -2.111 -6.380 -9.238 1.00 0.00 N ATOM 158 CA SER A 9 -0.997 -5.442 -9.160 1.00 0.00 C ATOM 159 C SER A 9 -0.250 -5.591 -7.839 1.00 0.00 C ATOM 160 O SER A 9 0.959 -5.817 -7.821 1.00 0.00 O ATOM 161 CB SER A 9 -1.500 -4.005 -9.315 1.00 0.00 C ATOM 162 OG SER A 9 -0.456 -3.140 -9.724 1.00 0.00 O ATOM 0 H SER A 9 -3.032 -5.947 -9.178 1.00 0.00 H new ATOM 0 HA SER A 9 -0.308 -5.669 -9.974 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.308 -3.976 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.914 -3.658 -8.369 1.00 0.00 H new ATOM 0 HG SER A 9 0.340 -3.307 -9.178 1.00 0.00 H new ATOM 168 N PHE A 10 -0.979 -5.462 -6.735 1.00 0.00 N ATOM 169 CA PHE A 10 -0.384 -5.583 -5.409 1.00 0.00 C ATOM 170 C PHE A 10 0.267 -6.948 -5.226 1.00 0.00 C ATOM 171 O PHE A 10 1.283 -7.076 -4.542 1.00 0.00 O ATOM 172 CB PHE A 10 -1.446 -5.363 -4.329 1.00 0.00 C ATOM 173 CG PHE A 10 -0.874 -5.198 -2.950 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.264 -4.010 -2.579 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.947 -6.228 -2.027 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.263 -3.853 -1.312 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.422 -6.078 -0.758 1.00 0.00 C ATOM 178 CZ PHE A 10 0.183 -4.889 -0.400 1.00 0.00 C ATOM 0 H PHE A 10 -1.982 -5.274 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 10 0.387 -4.818 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.030 -4.477 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.134 -6.209 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.200 -3.198 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.420 -7.159 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.737 -2.923 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.484 -6.889 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.593 -4.769 0.592 1.00 0.00 H new ATOM 188 N GLN A 11 -0.324 -7.968 -5.840 1.00 0.00 N ATOM 189 CA GLN A 11 0.198 -9.325 -5.744 1.00 0.00 C ATOM 190 C GLN A 11 1.615 -9.405 -6.304 1.00 0.00 C ATOM 191 O GLN A 11 2.484 -10.063 -5.729 1.00 0.00 O ATOM 192 CB GLN A 11 -0.713 -10.298 -6.496 1.00 0.00 C ATOM 193 CG GLN A 11 -1.847 -10.849 -5.649 1.00 0.00 C ATOM 194 CD GLN A 11 -2.807 -11.707 -6.447 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.593 -12.908 -6.615 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.874 -11.094 -6.947 1.00 0.00 N ATOM 0 H GLN A 11 -1.165 -7.880 -6.410 1.00 0.00 H new ATOM 0 HA GLN A 11 0.226 -9.602 -4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.133 -9.791 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.114 -11.128 -6.870 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.432 -11.439 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.394 -10.021 -5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.013 -10.097 -6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.555 -11.621 -7.494 1.00 0.00 H new ATOM 205 N LYS A 12 1.843 -8.737 -7.429 1.00 0.00 N ATOM 206 CA LYS A 12 3.153 -8.737 -8.067 1.00 0.00 C ATOM 207 C LYS A 12 4.025 -7.589 -7.555 1.00 0.00 C ATOM 208 O LYS A 12 5.242 -7.586 -7.739 1.00 0.00 O ATOM 209 CB LYS A 12 3.002 -8.636 -9.586 1.00 0.00 C ATOM 210 CG LYS A 12 2.461 -9.901 -10.229 1.00 0.00 C ATOM 211 CD LYS A 12 2.616 -9.868 -11.741 1.00 0.00 C ATOM 212 CE LYS A 12 3.847 -10.637 -12.194 1.00 0.00 C ATOM 213 NZ LYS A 12 3.526 -11.615 -13.270 1.00 0.00 N ATOM 0 H LYS A 12 1.136 -8.188 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 12 3.645 -9.676 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.337 -7.805 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.972 -8.402 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.986 -10.768 -9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.408 -10.019 -9.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.728 -10.294 -12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.688 -8.834 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.601 -9.936 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.280 -11.163 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.392 -12.119 -13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.826 -12.299 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.136 -11.111 -14.092 1.00 0.00 H new ATOM 227 N ASP A 13 3.396 -6.612 -6.915 1.00 0.00 N ATOM 228 CA ASP A 13 4.109 -5.459 -6.377 1.00 0.00 C ATOM 229 C ASP A 13 4.548 -5.702 -4.934 1.00 0.00 C ATOM 230 O ASP A 13 5.330 -4.933 -4.378 1.00 0.00 O ATOM 231 CB ASP A 13 3.228 -4.210 -6.451 1.00 0.00 C ATOM 232 CG ASP A 13 3.141 -3.647 -7.856 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.204 -3.417 -8.470 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.010 -3.433 -8.341 1.00 0.00 O ATOM 0 H ASP A 13 2.389 -6.595 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 13 5.002 -5.306 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.226 -4.454 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.626 -3.448 -5.781 1.00 0.00 H new ATOM 239 N PHE A 14 4.032 -6.768 -4.329 1.00 0.00 N ATOM 240 CA PHE A 14 4.364 -7.099 -2.951 1.00 0.00 C ATOM 241 C PHE A 14 5.579 -8.018 -2.878 1.00 0.00 C ATOM 242 O PHE A 14 6.644 -7.616 -2.422 1.00 0.00 O ATOM 243 CB PHE A 14 3.166 -7.757 -2.264 1.00 0.00 C ATOM 244 CG PHE A 14 3.383 -8.042 -0.804 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.225 -9.068 -0.401 1.00 0.00 C ATOM 246 CD2 PHE A 14 2.745 -7.285 0.164 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.425 -9.331 0.942 1.00 0.00 C ATOM 248 CE2 PHE A 14 2.941 -7.544 1.508 1.00 0.00 C ATOM 249 CZ PHE A 14 3.782 -8.568 1.896 1.00 0.00 C ATOM 0 H PHE A 14 3.382 -7.416 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 14 4.611 -6.172 -2.433 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.296 -7.109 -2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.934 -8.691 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.730 -9.668 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.086 -6.483 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.083 -10.132 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.437 -6.946 2.253 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.937 -8.772 2.945 1.00 0.00 H new ATOM 259 N ASP A 15 5.403 -9.261 -3.311 1.00 0.00 N ATOM 260 CA ASP A 15 6.480 -10.243 -3.273 1.00 0.00 C ATOM 261 C ASP A 15 7.299 -10.250 -4.561 1.00 0.00 C ATOM 262 O ASP A 15 8.487 -10.574 -4.541 1.00 0.00 O ATOM 263 CB ASP A 15 5.912 -11.638 -3.015 1.00 0.00 C ATOM 264 CG ASP A 15 6.931 -12.570 -2.388 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.034 -12.715 -2.958 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.629 -13.155 -1.328 1.00 0.00 O ATOM 0 H ASP A 15 4.525 -9.613 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 15 7.147 -9.960 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.045 -11.559 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.563 -12.065 -3.955 1.00 0.00 H new ATOM 271 N LYS A 16 6.672 -9.909 -5.683 1.00 0.00 N ATOM 272 CA LYS A 16 7.379 -9.905 -6.961 1.00 0.00 C ATOM 273 C LYS A 16 8.235 -8.652 -7.119 1.00 0.00 C ATOM 274 O LYS A 16 9.146 -8.618 -7.945 1.00 0.00 O ATOM 275 CB LYS A 16 6.391 -10.022 -8.122 1.00 0.00 C ATOM 276 CG LYS A 16 6.263 -11.432 -8.677 1.00 0.00 C ATOM 277 CD LYS A 16 7.611 -11.990 -9.114 1.00 0.00 C ATOM 278 CE LYS A 16 7.897 -13.332 -8.458 1.00 0.00 C ATOM 279 NZ LYS A 16 9.026 -14.044 -9.118 1.00 0.00 N ATOM 0 H LYS A 16 5.691 -9.636 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 16 8.042 -10.770 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.411 -9.682 -7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.705 -9.353 -8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.828 -12.083 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.578 -11.428 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.625 -12.103 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.400 -11.283 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.131 -13.178 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.003 -13.954 -8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.189 -14.954 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.793 -14.214 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.886 -13.463 -9.057 1.00 0.00 H new ATOM 293 N LEU A 17 7.952 -7.628 -6.318 1.00 0.00 N ATOM 294 CA LEU A 17 8.712 -6.391 -6.371 1.00 0.00 C ATOM 295 C LEU A 17 9.930 -6.490 -5.463 1.00 0.00 C ATOM 296 O LEU A 17 10.990 -5.942 -5.767 1.00 0.00 O ATOM 297 CB LEU A 17 7.837 -5.212 -5.943 1.00 0.00 C ATOM 298 CG LEU A 17 8.583 -3.896 -5.735 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.114 -3.365 -7.058 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.680 -2.870 -5.066 1.00 0.00 C ATOM 0 H LEU A 17 7.202 -7.634 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 17 9.044 -6.227 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.065 -5.059 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.329 -5.474 -5.015 1.00 0.00 H new ATOM 0 HG LEU A 17 9.433 -4.083 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.642 -2.427 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.798 -4.093 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.282 -3.194 -7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.229 -1.939 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.809 -2.687 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.355 -3.249 -4.097 1.00 0.00 H new ATOM 312 N LEU A 18 9.767 -7.198 -4.350 1.00 0.00 N ATOM 313 CA LEU A 18 10.852 -7.376 -3.387 1.00 0.00 C ATOM 314 C LEU A 18 12.117 -7.882 -4.080 1.00 0.00 C ATOM 315 O LEU A 18 13.205 -7.340 -3.882 1.00 0.00 O ATOM 316 CB LEU A 18 10.438 -8.367 -2.293 1.00 0.00 C ATOM 317 CG LEU A 18 9.616 -7.796 -1.124 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.881 -6.522 -1.520 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.633 -8.841 -0.612 1.00 0.00 C ATOM 0 H LEU A 18 8.894 -7.659 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 18 11.061 -6.406 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.861 -9.166 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.341 -8.822 -1.885 1.00 0.00 H new ATOM 0 HG LEU A 18 10.310 -7.538 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.312 -6.150 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.603 -5.767 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.201 -6.736 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.057 -8.425 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.956 -9.129 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.181 -9.718 -0.268 1.00 0.00 H new ATOM 331 N LEU A 19 11.964 -8.928 -4.886 1.00 0.00 N ATOM 332 CA LEU A 19 13.091 -9.516 -5.605 1.00 0.00 C ATOM 333 C LEU A 19 13.376 -8.776 -6.912 1.00 0.00 C ATOM 334 O LEU A 19 14.266 -9.163 -7.670 1.00 0.00 O ATOM 335 CB LEU A 19 12.818 -10.992 -5.895 1.00 0.00 C ATOM 336 CG LEU A 19 11.567 -11.267 -6.733 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.931 -11.420 -8.201 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.848 -12.510 -6.229 1.00 0.00 C ATOM 0 H LEU A 19 11.070 -9.387 -5.058 1.00 0.00 H new ATOM 0 HA LEU A 19 13.971 -9.425 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.682 -11.411 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.725 -11.522 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 19 10.893 -10.416 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.029 -11.615 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.400 -10.503 -8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.625 -12.252 -8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.961 -12.689 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.515 -13.369 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.552 -12.363 -5.190 1.00 0.00 H new ATOM 350 N ASN A 20 12.622 -7.711 -7.175 1.00 0.00 N ATOM 351 CA ASN A 20 12.806 -6.929 -8.392 1.00 0.00 C ATOM 352 C ASN A 20 13.642 -5.684 -8.114 1.00 0.00 C ATOM 353 O ASN A 20 13.457 -4.645 -8.744 1.00 0.00 O ATOM 354 CB ASN A 20 11.452 -6.526 -8.978 1.00 0.00 C ATOM 355 CG ASN A 20 11.426 -6.623 -10.490 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.468 -7.130 -11.073 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.479 -6.135 -11.133 1.00 0.00 N ATOM 0 H ASN A 20 11.880 -7.372 -6.563 1.00 0.00 H new ATOM 0 HA ASN A 20 13.335 -7.549 -9.115 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.674 -7.166 -8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.219 -5.504 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.516 -6.171 -12.152 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.251 -5.723 -10.609 1.00 0.00 H new ATOM 364 N GLY A 21 14.564 -5.799 -7.163 1.00 0.00 N ATOM 365 CA GLY A 21 15.414 -4.677 -6.816 1.00 0.00 C ATOM 366 C GLY A 21 14.785 -3.772 -5.774 1.00 0.00 C ATOM 367 O GLY A 21 15.140 -2.599 -5.667 1.00 0.00 O ATOM 0 H GLY A 21 14.737 -6.650 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.367 -5.050 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.629 -4.097 -7.714 1.00 0.00 H new ATOM 371 N PHE A 22 13.851 -4.318 -5.001 1.00 0.00 N ATOM 372 CA PHE A 22 13.177 -3.549 -3.963 1.00 0.00 C ATOM 373 C PHE A 22 13.718 -3.914 -2.584 1.00 0.00 C ATOM 374 O PHE A 22 13.969 -5.084 -2.294 1.00 0.00 O ATOM 375 CB PHE A 22 11.665 -3.789 -4.013 1.00 0.00 C ATOM 376 CG PHE A 22 10.916 -3.114 -2.899 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.808 -3.719 -1.658 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.327 -1.875 -3.092 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.125 -3.100 -0.627 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.642 -1.253 -2.067 1.00 0.00 C ATOM 381 CZ PHE A 22 9.540 -1.865 -0.832 1.00 0.00 C ATOM 0 H PHE A 22 13.545 -5.288 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 22 13.371 -2.492 -4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.280 -3.432 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.473 -4.861 -3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.262 -4.685 -1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.404 -1.391 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.049 -3.581 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.186 -0.288 -2.230 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.005 -1.379 -0.030 1.00 0.00 H new ATOM 391 N ASP A 23 13.896 -2.904 -1.739 1.00 0.00 N ATOM 392 CA ASP A 23 14.405 -3.116 -0.390 1.00 0.00 C ATOM 393 C ASP A 23 13.365 -3.818 0.478 1.00 0.00 C ATOM 394 O ASP A 23 12.458 -3.181 1.014 1.00 0.00 O ATOM 395 CB ASP A 23 14.802 -1.781 0.243 1.00 0.00 C ATOM 396 CG ASP A 23 15.389 -1.948 1.631 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.831 -3.070 1.957 1.00 0.00 O ATOM 398 OD2 ASP A 23 15.406 -0.959 2.391 1.00 0.00 O ATOM 0 H ASP A 23 13.695 -1.930 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 23 15.287 -3.754 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.529 -1.281 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.927 -1.134 0.298 1.00 0.00 H new ATOM 403 N ASP A 24 13.500 -5.132 0.609 1.00 0.00 N ATOM 404 CA ASP A 24 12.572 -5.922 1.409 1.00 0.00 C ATOM 405 C ASP A 24 12.711 -5.610 2.898 1.00 0.00 C ATOM 406 O ASP A 24 11.866 -6.002 3.702 1.00 0.00 O ATOM 407 CB ASP A 24 12.803 -7.416 1.168 1.00 0.00 C ATOM 408 CG ASP A 24 14.257 -7.810 1.335 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.813 -7.582 2.429 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.840 -8.349 0.370 1.00 0.00 O ATOM 0 H ASP A 24 14.245 -5.674 0.171 1.00 0.00 H new ATOM 0 HA ASP A 24 11.561 -5.657 1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.191 -7.992 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.473 -7.674 0.162 1.00 0.00 H new ATOM 415 N SER A 25 13.780 -4.908 3.264 1.00 0.00 N ATOM 416 CA SER A 25 14.017 -4.553 4.660 1.00 0.00 C ATOM 417 C SER A 25 13.075 -3.443 5.119 1.00 0.00 C ATOM 418 O SER A 25 12.795 -3.312 6.311 1.00 0.00 O ATOM 419 CB SER A 25 15.470 -4.118 4.855 1.00 0.00 C ATOM 420 OG SER A 25 15.655 -2.769 4.461 1.00 0.00 O ATOM 0 H SER A 25 14.494 -4.575 2.616 1.00 0.00 H new ATOM 0 HA SER A 25 13.821 -5.437 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.751 -4.237 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.128 -4.764 4.273 1.00 0.00 H new ATOM 0 HG SER A 25 16.111 -2.741 3.594 1.00 0.00 H new ATOM 426 N VAL A 26 12.592 -2.643 4.171 1.00 0.00 N ATOM 427 CA VAL A 26 11.687 -1.545 4.492 1.00 0.00 C ATOM 428 C VAL A 26 10.234 -2.015 4.544 1.00 0.00 C ATOM 429 O VAL A 26 9.406 -1.417 5.232 1.00 0.00 O ATOM 430 CB VAL A 26 11.813 -0.394 3.472 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.440 -0.867 2.076 1.00 0.00 C ATOM 432 CG2 VAL A 26 10.954 0.790 3.892 1.00 0.00 C ATOM 0 H VAL A 26 12.812 -2.735 3.179 1.00 0.00 H new ATOM 0 HA VAL A 26 11.976 -1.179 5.477 1.00 0.00 H new ATOM 0 HB VAL A 26 12.853 -0.068 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.536 -0.039 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.106 -1.676 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.410 -1.225 2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.056 1.591 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.910 0.481 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.279 1.147 4.869 1.00 0.00 H new ATOM 442 N LEU A 27 9.930 -3.083 3.815 1.00 0.00 N ATOM 443 CA LEU A 27 8.575 -3.623 3.783 1.00 0.00 C ATOM 444 C LEU A 27 8.163 -4.143 5.159 1.00 0.00 C ATOM 445 O LEU A 27 7.010 -4.007 5.565 1.00 0.00 O ATOM 446 CB LEU A 27 8.471 -4.739 2.737 1.00 0.00 C ATOM 447 CG LEU A 27 8.869 -6.137 3.223 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.690 -6.825 3.893 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.391 -6.976 2.064 1.00 0.00 C ATOM 0 H LEU A 27 10.601 -3.591 3.239 1.00 0.00 H new ATOM 0 HA LEU A 27 7.894 -2.818 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.444 -4.778 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.100 -4.476 1.887 1.00 0.00 H new ATOM 0 HG LEU A 27 9.667 -6.032 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.992 -7.816 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.362 -6.234 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.870 -6.919 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.669 -7.965 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.614 -7.073 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.264 -6.491 1.628 1.00 0.00 H new ATOM 461 N ASN A 28 9.115 -4.740 5.867 1.00 0.00 N ATOM 462 CA ASN A 28 8.856 -5.287 7.195 1.00 0.00 C ATOM 463 C ASN A 28 8.267 -4.228 8.127 1.00 0.00 C ATOM 464 O ASN A 28 7.623 -4.558 9.123 1.00 0.00 O ATOM 465 CB ASN A 28 10.146 -5.849 7.797 1.00 0.00 C ATOM 466 CG ASN A 28 9.914 -7.139 8.559 1.00 0.00 C ATOM 467 OD1 ASN A 28 9.087 -7.964 8.170 1.00 0.00 O ATOM 468 ND2 ASN A 28 10.647 -7.321 9.651 1.00 0.00 N ATOM 0 H ASN A 28 10.075 -4.858 5.543 1.00 0.00 H new ATOM 0 HA ASN A 28 8.127 -6.091 7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.869 -6.026 7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.584 -5.109 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.536 -8.171 10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.321 -6.611 9.937 1.00 0.00 H new ATOM 475 N GLU A 29 8.496 -2.958 7.805 1.00 0.00 N ATOM 476 CA GLU A 29 7.989 -1.861 8.620 1.00 0.00 C ATOM 477 C GLU A 29 6.563 -1.489 8.226 1.00 0.00 C ATOM 478 O GLU A 29 5.694 -1.326 9.084 1.00 0.00 O ATOM 479 CB GLU A 29 8.900 -0.640 8.488 1.00 0.00 C ATOM 480 CG GLU A 29 10.068 -0.644 9.460 1.00 0.00 C ATOM 481 CD GLU A 29 9.628 -0.464 10.899 1.00 0.00 C ATOM 482 OE1 GLU A 29 8.756 0.393 11.151 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.157 -1.181 11.776 1.00 0.00 O ATOM 0 H GLU A 29 9.029 -2.664 6.986 1.00 0.00 H new ATOM 0 HA GLU A 29 7.979 -2.194 9.658 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.286 -0.594 7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.309 0.262 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.612 -1.584 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.761 0.154 9.193 1.00 0.00 H new ATOM 490 N VAL A 30 6.326 -1.355 6.924 1.00 0.00 N ATOM 491 CA VAL A 30 5.002 -0.997 6.422 1.00 0.00 C ATOM 492 C VAL A 30 4.043 -2.183 6.500 1.00 0.00 C ATOM 493 O VAL A 30 2.909 -2.045 6.959 1.00 0.00 O ATOM 494 CB VAL A 30 5.069 -0.483 4.970 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.629 -1.549 4.043 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.697 -0.026 4.498 1.00 0.00 C ATOM 0 H VAL A 30 7.031 -1.488 6.199 1.00 0.00 H new ATOM 0 HA VAL A 30 4.627 -0.196 7.059 1.00 0.00 H new ATOM 0 HB VAL A 30 5.742 0.374 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.666 -1.162 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.634 -1.820 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.989 -2.430 4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.766 0.333 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.999 -0.862 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.341 0.779 5.140 1.00 0.00 H new ATOM 506 N ILE A 31 4.505 -3.348 6.057 1.00 0.00 N ATOM 507 CA ILE A 31 3.685 -4.555 6.087 1.00 0.00 C ATOM 508 C ILE A 31 3.396 -4.980 7.529 1.00 0.00 C ATOM 509 O ILE A 31 2.502 -5.787 7.780 1.00 0.00 O ATOM 510 CB ILE A 31 4.371 -5.711 5.315 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.907 -5.719 3.857 1.00 0.00 C ATOM 512 CG2 ILE A 31 4.095 -7.062 5.965 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.382 -4.521 3.064 1.00 0.00 C ATOM 0 H ILE A 31 5.441 -3.482 5.674 1.00 0.00 H new ATOM 0 HA ILE A 31 2.739 -4.327 5.596 1.00 0.00 H new ATOM 0 HB ILE A 31 5.447 -5.542 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.266 -6.629 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.818 -5.753 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.592 -7.848 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.474 -7.058 6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.021 -7.247 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.015 -4.594 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.002 -3.608 3.521 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.472 -4.497 3.058 1.00 0.00 H new ATOM 525 N LEU A 32 4.160 -4.435 8.473 1.00 0.00 N ATOM 526 CA LEU A 32 3.987 -4.761 9.883 1.00 0.00 C ATOM 527 C LEU A 32 2.827 -3.976 10.495 1.00 0.00 C ATOM 528 O LEU A 32 2.205 -4.423 11.458 1.00 0.00 O ATOM 529 CB LEU A 32 5.290 -4.473 10.647 1.00 0.00 C ATOM 530 CG LEU A 32 5.123 -3.997 12.093 1.00 0.00 C ATOM 531 CD1 LEU A 32 6.355 -4.342 12.914 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.856 -2.498 12.129 1.00 0.00 C ATOM 0 H LEU A 32 4.905 -3.765 8.285 1.00 0.00 H new ATOM 0 HA LEU A 32 3.749 -5.822 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.895 -5.380 10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.851 -3.717 10.098 1.00 0.00 H new ATOM 0 HG LEU A 32 4.267 -4.511 12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.218 -3.996 13.939 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.503 -5.422 12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.229 -3.856 12.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.739 -2.174 13.163 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.693 -1.968 11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.944 -2.278 11.575 1.00 0.00 H new ATOM 544 N THR A 33 2.551 -2.800 9.942 1.00 0.00 N ATOM 545 CA THR A 33 1.476 -1.953 10.448 1.00 0.00 C ATOM 546 C THR A 33 0.134 -2.299 9.807 1.00 0.00 C ATOM 547 O THR A 33 -0.921 -2.095 10.406 1.00 0.00 O ATOM 548 CB THR A 33 1.805 -0.482 10.197 1.00 0.00 C ATOM 549 OG1 THR A 33 3.057 -0.143 10.768 1.00 0.00 O ATOM 550 CG2 THR A 33 0.772 0.469 10.762 1.00 0.00 C ATOM 0 H THR A 33 3.055 -2.412 9.145 1.00 0.00 H new ATOM 0 HA THR A 33 1.392 -2.132 11.520 1.00 0.00 H new ATOM 0 HB THR A 33 1.822 -0.372 9.113 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.778 -0.523 10.224 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.068 1.496 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.197 0.268 10.305 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.700 0.329 11.841 1.00 0.00 H new ATOM 558 N LEU A 34 0.177 -2.815 8.583 1.00 0.00 N ATOM 559 CA LEU A 34 -1.043 -3.171 7.864 1.00 0.00 C ATOM 560 C LEU A 34 -1.456 -4.616 8.135 1.00 0.00 C ATOM 561 O LEU A 34 -2.645 -4.935 8.149 1.00 0.00 O ATOM 562 CB LEU A 34 -0.849 -2.956 6.363 1.00 0.00 C ATOM 563 CG LEU A 34 -0.371 -1.559 5.967 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.145 -1.475 4.466 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.375 -0.508 6.417 1.00 0.00 C ATOM 0 H LEU A 34 1.039 -2.996 8.069 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.842 -2.523 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.129 -3.687 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.793 -3.157 5.857 1.00 0.00 H new ATOM 0 HG LEU A 34 0.579 -1.366 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.195 -0.473 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.611 -2.203 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.078 -1.689 3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.020 0.481 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.339 -0.700 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.486 -0.551 7.500 1.00 0.00 H new ATOM 577 N ARG A 35 -0.473 -5.487 8.333 1.00 0.00 N ATOM 578 CA ARG A 35 -0.745 -6.899 8.584 1.00 0.00 C ATOM 579 C ARG A 35 -0.824 -7.210 10.078 1.00 0.00 C ATOM 580 O ARG A 35 -0.678 -8.363 10.482 1.00 0.00 O ATOM 581 CB ARG A 35 0.329 -7.763 7.925 1.00 0.00 C ATOM 582 CG ARG A 35 0.466 -7.520 6.432 1.00 0.00 C ATOM 583 CD ARG A 35 0.979 -8.754 5.706 1.00 0.00 C ATOM 584 NE ARG A 35 -0.101 -9.496 5.057 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.689 -10.574 5.579 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.316 -11.038 6.767 1.00 0.00 N ATOM 587 NH2 ARG A 35 -1.657 -11.187 4.912 1.00 0.00 N ATOM 0 H ARG A 35 0.517 -5.242 8.325 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.718 -7.129 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.287 -7.569 8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.094 -8.814 8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.501 -7.231 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.148 -6.687 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.714 -8.456 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.491 -9.405 6.415 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.426 -9.169 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.425 -10.569 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.771 -11.863 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.951 -10.834 4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.108 -12.011 5.310 1.00 0.00 H new ATOM 601 N LYS A 36 -1.057 -6.188 10.897 1.00 0.00 N ATOM 602 CA LYS A 36 -1.157 -6.385 12.340 1.00 0.00 C ATOM 603 C LYS A 36 -2.555 -6.041 12.845 1.00 0.00 C ATOM 604 O LYS A 36 -3.217 -6.870 13.469 1.00 0.00 O ATOM 605 CB LYS A 36 -0.115 -5.532 13.067 1.00 0.00 C ATOM 606 CG LYS A 36 1.091 -6.324 13.550 1.00 0.00 C ATOM 607 CD LYS A 36 1.451 -5.976 14.987 1.00 0.00 C ATOM 608 CE LYS A 36 2.602 -4.984 15.046 1.00 0.00 C ATOM 609 NZ LYS A 36 2.129 -3.602 15.335 1.00 0.00 N ATOM 0 H LYS A 36 -1.179 -5.223 10.590 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.966 -7.437 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.225 -4.740 12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.587 -5.047 13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.880 -7.391 13.475 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.943 -6.122 12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.580 -5.556 15.490 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.723 -6.884 15.526 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.309 -5.294 15.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.138 -4.993 14.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.943 -2.956 15.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.473 -3.296 14.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.639 -3.587 16.252 1.00 0.00 H new ATOM 623 N LYS A 37 -2.996 -4.814 12.562 1.00 0.00 N ATOM 624 CA LYS A 37 -4.322 -4.338 12.972 1.00 0.00 C ATOM 625 C LYS A 37 -4.372 -2.811 13.010 1.00 0.00 C ATOM 626 O LYS A 37 -5.449 -2.219 12.966 1.00 0.00 O ATOM 627 CB LYS A 37 -4.707 -4.886 14.352 1.00 0.00 C ATOM 628 CG LYS A 37 -3.577 -4.834 15.368 1.00 0.00 C ATOM 629 CD LYS A 37 -4.087 -4.479 16.758 1.00 0.00 C ATOM 630 CE LYS A 37 -3.994 -5.663 17.710 1.00 0.00 C ATOM 631 NZ LYS A 37 -5.204 -5.778 18.570 1.00 0.00 N ATOM 0 H LYS A 37 -2.449 -4.125 12.046 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.034 -4.703 12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.554 -4.318 14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.039 -5.919 14.243 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.072 -5.800 15.401 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.837 -4.098 15.053 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.509 -3.645 17.156 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.123 -4.146 16.692 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.867 -6.581 17.137 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.110 -5.555 18.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.103 -6.596 19.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.311 -4.912 19.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.045 -5.906 17.971 1.00 0.00 H new ATOM 645 N GLU A 38 -3.203 -2.178 13.100 1.00 0.00 N ATOM 646 CA GLU A 38 -3.127 -0.722 13.151 1.00 0.00 C ATOM 647 C GLU A 38 -3.532 -0.103 11.812 1.00 0.00 C ATOM 648 O GLU A 38 -2.822 -0.243 10.818 1.00 0.00 O ATOM 649 CB GLU A 38 -1.710 -0.280 13.519 1.00 0.00 C ATOM 650 CG GLU A 38 -1.670 0.910 14.464 1.00 0.00 C ATOM 651 CD GLU A 38 -2.086 0.548 15.875 1.00 0.00 C ATOM 652 OE1 GLU A 38 -3.201 0.012 16.048 1.00 0.00 O ATOM 653 OE2 GLU A 38 -1.295 0.798 16.810 1.00 0.00 O ATOM 0 H GLU A 38 -2.300 -2.650 13.139 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.823 -0.375 13.915 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.185 -1.117 13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.169 -0.028 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.661 1.322 14.481 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.327 1.693 14.085 1.00 0.00 H new ATOM 660 N PRO A 39 -4.683 0.596 11.769 1.00 0.00 N ATOM 661 CA PRO A 39 -5.169 1.235 10.543 1.00 0.00 C ATOM 662 C PRO A 39 -4.352 2.469 10.174 1.00 0.00 C ATOM 663 O PRO A 39 -3.710 3.079 11.029 1.00 0.00 O ATOM 664 CB PRO A 39 -6.603 1.630 10.895 1.00 0.00 C ATOM 665 CG PRO A 39 -6.589 1.816 12.373 1.00 0.00 C ATOM 666 CD PRO A 39 -5.598 0.817 12.907 1.00 0.00 C ATOM 0 HA PRO A 39 -5.095 0.574 9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.899 2.546 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.311 0.856 10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.298 2.833 12.636 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.579 1.648 12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.069 1.203 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.086 -0.108 13.215 1.00 0.00 H new ATOM 674 N LEU A 40 -4.380 2.830 8.895 1.00 0.00 N ATOM 675 CA LEU A 40 -3.641 3.992 8.416 1.00 0.00 C ATOM 676 C LEU A 40 -4.199 5.279 9.016 1.00 0.00 C ATOM 677 O LEU A 40 -5.411 5.423 9.183 1.00 0.00 O ATOM 678 CB LEU A 40 -3.696 4.062 6.888 1.00 0.00 C ATOM 679 CG LEU A 40 -3.082 2.862 6.164 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.431 2.895 4.685 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.573 2.840 6.357 1.00 0.00 C ATOM 0 H LEU A 40 -4.905 2.336 8.174 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.603 3.887 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.737 4.159 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.182 4.966 6.562 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.498 1.951 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.986 2.034 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.514 2.863 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.044 3.812 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.152 1.980 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.141 3.756 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.343 2.768 7.420 1.00 0.00 H new ATOM 693 N ASP A 41 -3.308 6.209 9.344 1.00 0.00 N ATOM 694 CA ASP A 41 -3.711 7.483 9.928 1.00 0.00 C ATOM 695 C ASP A 41 -3.967 8.526 8.844 1.00 0.00 C ATOM 696 O ASP A 41 -3.431 8.430 7.739 1.00 0.00 O ATOM 697 CB ASP A 41 -2.638 7.986 10.894 1.00 0.00 C ATOM 698 CG ASP A 41 -2.675 7.264 12.228 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.020 6.206 12.348 1.00 0.00 O ATOM 700 OD2 ASP A 41 -3.359 7.755 13.150 1.00 0.00 O ATOM 0 H ASP A 41 -2.302 6.104 9.215 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.639 7.324 10.477 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.655 7.856 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.774 9.055 11.059 1.00 0.00 H new ATOM 705 N PRO A 42 -4.790 9.545 9.148 1.00 0.00 N ATOM 706 CA PRO A 42 -5.114 10.611 8.195 1.00 0.00 C ATOM 707 C PRO A 42 -3.943 11.561 7.958 1.00 0.00 C ATOM 708 O PRO A 42 -3.992 12.409 7.068 1.00 0.00 O ATOM 709 CB PRO A 42 -6.271 11.348 8.870 1.00 0.00 C ATOM 710 CG PRO A 42 -6.071 11.110 10.327 1.00 0.00 C ATOM 711 CD PRO A 42 -5.470 9.736 10.445 1.00 0.00 C ATOM 0 HA PRO A 42 -5.358 10.214 7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.253 12.412 8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.235 10.964 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.411 11.863 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.017 11.170 10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.770 9.674 11.278 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.234 8.977 10.613 1.00 0.00 H new ATOM 719 N GLN A 43 -2.890 11.417 8.759 1.00 0.00 N ATOM 720 CA GLN A 43 -1.710 12.265 8.630 1.00 0.00 C ATOM 721 C GLN A 43 -0.760 11.742 7.552 1.00 0.00 C ATOM 722 O GLN A 43 0.322 12.294 7.351 1.00 0.00 O ATOM 723 CB GLN A 43 -0.976 12.354 9.970 1.00 0.00 C ATOM 724 CG GLN A 43 -0.534 11.005 10.512 1.00 0.00 C ATOM 725 CD GLN A 43 0.892 11.020 11.024 1.00 0.00 C ATOM 726 OE1 GLN A 43 1.162 10.621 12.158 1.00 0.00 O ATOM 727 NE2 GLN A 43 1.816 11.484 10.190 1.00 0.00 N ATOM 0 H GLN A 43 -2.831 10.722 9.503 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.045 13.259 8.333 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.101 12.994 9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.627 12.834 10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.202 10.705 11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.626 10.255 9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.548 11.804 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.793 11.520 10.480 1.00 0.00 H new ATOM 736 N PHE A 44 -1.166 10.679 6.862 1.00 0.00 N ATOM 737 CA PHE A 44 -0.342 10.096 5.809 1.00 0.00 C ATOM 738 C PHE A 44 -0.721 10.653 4.436 1.00 0.00 C ATOM 739 O PHE A 44 -0.387 10.066 3.408 1.00 0.00 O ATOM 740 CB PHE A 44 -0.486 8.573 5.810 1.00 0.00 C ATOM 741 CG PHE A 44 0.389 7.885 6.820 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.766 7.864 6.661 1.00 0.00 C ATOM 743 CD2 PHE A 44 -0.165 7.262 7.926 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.573 7.233 7.588 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.638 6.629 8.855 1.00 0.00 C ATOM 746 CZ PHE A 44 2.008 6.614 8.685 1.00 0.00 C ATOM 0 H PHE A 44 -2.057 10.206 7.013 1.00 0.00 H new ATOM 0 HA PHE A 44 0.696 10.361 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.526 8.315 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.247 8.193 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.212 8.346 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.236 7.271 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.645 7.224 7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.194 6.146 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.637 6.118 9.410 1.00 0.00 H new ATOM 756 N GLN A 45 -1.419 11.787 4.427 1.00 0.00 N ATOM 757 CA GLN A 45 -1.838 12.416 3.178 1.00 0.00 C ATOM 758 C GLN A 45 -2.629 11.440 2.313 1.00 0.00 C ATOM 759 O GLN A 45 -2.500 11.436 1.087 1.00 0.00 O ATOM 760 CB GLN A 45 -0.621 12.929 2.406 1.00 0.00 C ATOM 761 CG GLN A 45 0.403 13.635 3.282 1.00 0.00 C ATOM 762 CD GLN A 45 -0.096 14.970 3.801 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.108 15.964 3.075 1.00 0.00 O ATOM 764 NE2 GLN A 45 -0.509 14.998 5.062 1.00 0.00 N ATOM 0 H GLN A 45 -1.705 12.287 5.269 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.484 13.258 3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.140 12.090 1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.957 13.616 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.658 12.994 4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.319 13.790 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.481 14.149 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.854 15.868 5.466 1.00 0.00 H new ATOM 773 N ASP A 46 -3.445 10.611 2.955 1.00 0.00 N ATOM 774 CA ASP A 46 -4.252 9.630 2.243 1.00 0.00 C ATOM 775 C ASP A 46 -5.465 10.286 1.594 1.00 0.00 C ATOM 776 O ASP A 46 -6.290 10.900 2.272 1.00 0.00 O ATOM 777 CB ASP A 46 -4.707 8.523 3.196 1.00 0.00 C ATOM 778 CG ASP A 46 -5.378 9.069 4.440 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.791 9.960 5.090 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.493 8.608 4.764 1.00 0.00 O ATOM 0 H ASP A 46 -3.564 10.600 3.968 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.635 9.194 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.398 7.861 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.846 7.921 3.486 1.00 0.00 H new ATOM 785 N HIS A 47 -5.568 10.153 0.275 1.00 0.00 N ATOM 786 CA HIS A 47 -6.681 10.733 -0.468 1.00 0.00 C ATOM 787 C HIS A 47 -6.651 10.289 -1.927 1.00 0.00 C ATOM 788 O HIS A 47 -5.883 9.403 -2.301 1.00 0.00 O ATOM 789 CB HIS A 47 -6.639 12.261 -0.382 1.00 0.00 C ATOM 790 CG HIS A 47 -7.805 12.851 0.350 1.00 0.00 C ATOM 791 ND1 HIS A 47 -7.694 13.446 1.590 1.00 0.00 N ATOM 792 CD2 HIS A 47 -9.113 12.935 0.011 1.00 0.00 C ATOM 793 CE1 HIS A 47 -8.882 13.869 1.982 1.00 0.00 C ATOM 794 NE2 HIS A 47 -9.760 13.571 1.042 1.00 0.00 N ATOM 0 H HIS A 47 -4.894 9.649 -0.301 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.609 10.379 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.717 12.564 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.607 12.673 -1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.564 12.570 -0.900 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.098 14.373 2.913 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.758 13.780 1.076 1.00 0.00 H new ATOM 803 N ALA A 48 -7.491 10.912 -2.747 1.00 0.00 N ATOM 804 CA ALA A 48 -7.562 10.580 -4.166 1.00 0.00 C ATOM 805 C ALA A 48 -6.405 11.211 -4.935 1.00 0.00 C ATOM 806 O ALA A 48 -6.095 12.388 -4.752 1.00 0.00 O ATOM 807 CB ALA A 48 -8.893 11.032 -4.748 1.00 0.00 C ATOM 0 H ALA A 48 -8.132 11.649 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.484 9.497 -4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.932 10.778 -5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.708 10.532 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.994 12.111 -4.630 1.00 0.00 H new ATOM 813 N LEU A 49 -5.774 10.421 -5.796 1.00 0.00 N ATOM 814 CA LEU A 49 -4.653 10.902 -6.594 1.00 0.00 C ATOM 815 C LEU A 49 -5.140 11.766 -7.753 1.00 0.00 C ATOM 816 O LEU A 49 -6.342 11.946 -7.944 1.00 0.00 O ATOM 817 CB LEU A 49 -3.836 9.723 -7.130 1.00 0.00 C ATOM 818 CG LEU A 49 -3.290 8.775 -6.059 1.00 0.00 C ATOM 819 CD1 LEU A 49 -4.186 7.556 -5.915 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.866 8.356 -6.395 1.00 0.00 C ATOM 0 H LEU A 49 -6.020 9.445 -5.959 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.019 11.512 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.459 9.151 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.999 10.114 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.278 9.304 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.781 6.895 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.188 7.873 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.233 7.024 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.493 7.682 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.854 7.846 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.229 9.239 -6.444 1.00 0.00 H new ATOM 832 N LYS A 50 -4.199 12.299 -8.525 1.00 0.00 N ATOM 833 CA LYS A 50 -4.534 13.144 -9.665 1.00 0.00 C ATOM 834 C LYS A 50 -4.133 12.474 -10.975 1.00 0.00 C ATOM 835 O LYS A 50 -3.204 11.666 -11.013 1.00 0.00 O ATOM 836 CB LYS A 50 -3.841 14.501 -9.540 1.00 0.00 C ATOM 837 CG LYS A 50 -3.942 15.111 -8.151 1.00 0.00 C ATOM 838 CD LYS A 50 -3.917 16.631 -8.206 1.00 0.00 C ATOM 839 CE LYS A 50 -2.546 17.183 -7.850 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.571 17.959 -6.579 1.00 0.00 N ATOM 0 H LYS A 50 -3.199 12.161 -8.382 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.614 13.294 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.789 14.388 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.277 15.190 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.863 14.778 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.116 14.755 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.195 16.964 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.661 17.033 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.836 16.361 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.191 17.822 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.617 18.318 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.229 18.759 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.885 17.343 -5.802 1.00 0.00 H new ATOM 854 N GLY A 51 -4.840 12.816 -12.047 1.00 0.00 N ATOM 855 CA GLY A 51 -4.542 12.239 -13.344 1.00 0.00 C ATOM 856 C GLY A 51 -5.396 11.023 -13.650 1.00 0.00 C ATOM 857 O GLY A 51 -6.608 11.035 -13.430 1.00 0.00 O ATOM 0 H GLY A 51 -5.613 13.482 -12.041 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.697 12.992 -14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.489 11.958 -13.380 1.00 0.00 H new ATOM 861 N LYS A 52 -4.762 9.971 -14.158 1.00 0.00 N ATOM 862 CA LYS A 52 -5.470 8.740 -14.496 1.00 0.00 C ATOM 863 C LYS A 52 -5.789 7.920 -13.247 1.00 0.00 C ATOM 864 O LYS A 52 -6.582 6.980 -13.299 1.00 0.00 O ATOM 865 CB LYS A 52 -4.638 7.902 -15.468 1.00 0.00 C ATOM 866 CG LYS A 52 -5.432 6.807 -16.160 1.00 0.00 C ATOM 867 CD LYS A 52 -5.853 7.223 -17.560 1.00 0.00 C ATOM 868 CE LYS A 52 -7.293 7.713 -17.587 1.00 0.00 C ATOM 869 NZ LYS A 52 -7.461 8.892 -18.482 1.00 0.00 N ATOM 0 H LYS A 52 -3.760 9.946 -14.345 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.411 9.017 -14.971 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.206 8.559 -16.223 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.807 7.450 -14.926 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.831 5.899 -16.214 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.316 6.569 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.192 8.012 -17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.742 6.379 -18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.945 6.906 -17.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.606 7.976 -16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.456 9.196 -18.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.858 9.671 -18.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.187 8.634 -19.451 1.00 0.00 H new ATOM 883 N TRP A 53 -5.170 8.279 -12.124 1.00 0.00 N ATOM 884 CA TRP A 53 -5.395 7.570 -10.869 1.00 0.00 C ATOM 885 C TRP A 53 -6.442 8.287 -10.019 1.00 0.00 C ATOM 886 O TRP A 53 -6.313 8.370 -8.798 1.00 0.00 O ATOM 887 CB TRP A 53 -4.086 7.443 -10.088 1.00 0.00 C ATOM 888 CG TRP A 53 -2.933 6.991 -10.931 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.693 7.561 -11.000 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.911 5.873 -11.828 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.903 6.867 -11.884 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.627 5.826 -12.405 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.853 4.908 -12.198 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.262 4.852 -13.331 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.489 3.942 -13.117 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.203 3.920 -13.673 1.00 0.00 C ATOM 0 H TRP A 53 -4.511 9.055 -12.059 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.766 6.573 -11.105 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.844 8.407 -9.640 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.227 6.737 -9.269 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.380 8.430 -10.441 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.065 7.090 -12.115 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.846 4.917 -11.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.272 4.833 -13.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.208 3.192 -13.411 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.949 3.150 -14.387 1.00 0.00 H new ATOM 907 N LYS A 54 -7.475 8.804 -10.676 1.00 0.00 N ATOM 908 CA LYS A 54 -8.544 9.516 -9.984 1.00 0.00 C ATOM 909 C LYS A 54 -9.386 8.569 -9.132 1.00 0.00 C ATOM 910 O LYS A 54 -9.611 8.827 -7.951 1.00 0.00 O ATOM 911 CB LYS A 54 -9.435 10.244 -10.993 1.00 0.00 C ATOM 912 CG LYS A 54 -9.841 11.640 -10.550 1.00 0.00 C ATOM 913 CD LYS A 54 -10.553 12.391 -11.663 1.00 0.00 C ATOM 914 CE LYS A 54 -10.645 13.878 -11.362 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.907 14.224 -10.653 1.00 0.00 N ATOM 0 H LYS A 54 -7.595 8.743 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.081 10.246 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.910 10.313 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.333 9.651 -11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.494 11.572 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.956 12.197 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.021 12.241 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.555 11.983 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.792 14.178 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.586 14.441 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.931 15.247 -10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.721 13.961 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.952 13.706 -9.752 1.00 0.00 H new ATOM 929 N PRO A 55 -9.868 7.459 -9.717 1.00 0.00 N ATOM 930 CA PRO A 55 -10.691 6.488 -8.994 1.00 0.00 C ATOM 931 C PRO A 55 -9.865 5.568 -8.099 1.00 0.00 C ATOM 932 O PRO A 55 -10.043 4.350 -8.116 1.00 0.00 O ATOM 933 CB PRO A 55 -11.352 5.693 -10.117 1.00 0.00 C ATOM 934 CG PRO A 55 -10.371 5.741 -11.239 1.00 0.00 C ATOM 935 CD PRO A 55 -9.661 7.066 -11.125 1.00 0.00 C ATOM 0 HA PRO A 55 -11.396 6.972 -8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.554 4.667 -9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.306 6.133 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.664 4.914 -11.173 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.876 5.652 -12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.601 6.973 -11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.078 7.803 -11.811 1.00 0.00 H new ATOM 943 N PHE A 56 -8.964 6.155 -7.315 1.00 0.00 N ATOM 944 CA PHE A 56 -8.118 5.382 -6.414 1.00 0.00 C ATOM 945 C PHE A 56 -7.665 6.232 -5.230 1.00 0.00 C ATOM 946 O PHE A 56 -7.876 7.444 -5.207 1.00 0.00 O ATOM 947 CB PHE A 56 -6.901 4.842 -7.165 1.00 0.00 C ATOM 948 CG PHE A 56 -7.258 4.041 -8.386 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.728 2.743 -8.268 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.124 4.590 -9.650 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.058 2.007 -9.390 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.452 3.859 -10.775 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.919 2.566 -10.646 1.00 0.00 C ATOM 0 H PHE A 56 -8.802 7.162 -7.286 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.703 4.545 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.266 5.677 -7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.314 4.219 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.838 2.302 -7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.759 5.601 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.424 0.996 -9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.343 4.299 -11.755 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.175 1.993 -11.525 1.00 0.00 H new ATOM 963 N ARG A 57 -7.044 5.588 -4.247 1.00 0.00 N ATOM 964 CA ARG A 57 -6.563 6.286 -3.060 1.00 0.00 C ATOM 965 C ARG A 57 -5.111 5.924 -2.762 1.00 0.00 C ATOM 966 O ARG A 57 -4.732 4.754 -2.803 1.00 0.00 O ATOM 967 CB ARG A 57 -7.441 5.948 -1.853 1.00 0.00 C ATOM 968 CG ARG A 57 -7.244 6.888 -0.674 1.00 0.00 C ATOM 969 CD ARG A 57 -8.571 7.380 -0.119 1.00 0.00 C ATOM 970 NE ARG A 57 -9.238 8.305 -1.032 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.230 7.963 -1.852 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.677 6.712 -1.891 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.779 8.877 -2.641 1.00 0.00 N ATOM 0 H ARG A 57 -6.862 4.584 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.618 7.357 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.487 5.974 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.227 4.928 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.689 6.375 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.641 7.741 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.222 6.527 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.403 7.874 0.838 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.924 9.275 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.260 6.002 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.437 6.462 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.441 9.839 -2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.539 8.618 -3.270 1.00 0.00 H new ATOM 987 N GLU A 58 -4.305 6.937 -2.462 1.00 0.00 N ATOM 988 CA GLU A 58 -2.894 6.724 -2.158 1.00 0.00 C ATOM 989 C GLU A 58 -2.619 6.932 -0.674 1.00 0.00 C ATOM 990 O GLU A 58 -3.421 7.535 0.039 1.00 0.00 O ATOM 991 CB GLU A 58 -2.024 7.672 -2.987 1.00 0.00 C ATOM 992 CG GLU A 58 -0.563 7.259 -3.050 1.00 0.00 C ATOM 993 CD GLU A 58 0.316 8.078 -2.126 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.610 9.245 -2.465 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.712 7.556 -1.063 1.00 0.00 O ATOM 0 H GLU A 58 -4.603 7.912 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.645 5.694 -2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.422 7.724 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.091 8.675 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.476 6.205 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.204 7.363 -4.074 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.479 6.429 -0.215 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.090 6.556 1.183 1.00 0.00 C ATOM 1004 C CYS A 59 0.346 6.089 1.389 1.00 0.00 C ATOM 1005 O CYS A 59 0.655 4.910 1.213 1.00 0.00 O ATOM 1006 CB CYS A 59 -2.036 5.750 2.073 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.891 6.126 3.836 1.00 0.00 S ATOM 0 H CYS A 59 -0.806 5.927 -0.794 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.154 7.608 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.062 5.936 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.843 4.688 1.922 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.005 5.342 4.375 1.00 0.00 H new ATOM 1013 N HIS A 60 1.219 7.019 1.754 1.00 0.00 N ATOM 1014 CA HIS A 60 2.625 6.699 1.975 1.00 0.00 C ATOM 1015 C HIS A 60 2.877 6.306 3.430 1.00 0.00 C ATOM 1016 O HIS A 60 3.262 7.138 4.251 1.00 0.00 O ATOM 1017 CB HIS A 60 3.508 7.889 1.589 1.00 0.00 C ATOM 1018 CG HIS A 60 3.275 9.113 2.423 1.00 0.00 C ATOM 1019 ND1 HIS A 60 4.085 9.465 3.483 1.00 0.00 N ATOM 1020 CD2 HIS A 60 2.319 10.066 2.350 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.636 10.584 4.024 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.566 10.971 3.355 1.00 0.00 N ATOM 0 H HIS A 60 0.980 7.999 1.903 1.00 0.00 H new ATOM 0 HA HIS A 60 2.881 5.848 1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.554 7.596 1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.332 8.135 0.542 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.902 8.943 3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.511 10.109 1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.071 11.095 4.870 1.00 0.00 H new ATOM 1031 N ILE A 61 2.659 5.031 3.742 1.00 0.00 N ATOM 1032 CA ILE A 61 2.869 4.526 5.095 1.00 0.00 C ATOM 1033 C ILE A 61 4.277 4.853 5.588 1.00 0.00 C ATOM 1034 O ILE A 61 4.515 4.973 6.791 1.00 0.00 O ATOM 1035 CB ILE A 61 2.647 3.000 5.165 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.248 2.642 4.657 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.844 2.493 6.589 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.235 2.104 3.241 1.00 0.00 C ATOM 0 H ILE A 61 2.337 4.329 3.076 1.00 0.00 H new ATOM 0 HA ILE A 61 2.140 5.019 5.738 1.00 0.00 H new ATOM 0 HB ILE A 61 3.384 2.515 4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.808 1.899 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.615 3.528 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.683 1.415 6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.859 2.717 6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.131 2.984 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.211 1.872 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.645 2.853 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.840 1.199 3.190 1.00 0.00 H new ATOM 1050 N LYS A 62 5.205 4.993 4.648 1.00 0.00 N ATOM 1051 CA LYS A 62 6.591 5.306 4.972 1.00 0.00 C ATOM 1052 C LYS A 62 7.126 6.389 4.037 1.00 0.00 C ATOM 1053 O LYS A 62 6.556 6.632 2.973 1.00 0.00 O ATOM 1054 CB LYS A 62 7.451 4.045 4.860 1.00 0.00 C ATOM 1055 CG LYS A 62 6.851 2.833 5.555 1.00 0.00 C ATOM 1056 CD LYS A 62 7.208 2.806 7.033 1.00 0.00 C ATOM 1057 CE LYS A 62 8.659 2.407 7.246 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.096 2.635 8.651 1.00 0.00 N ATOM 0 H LYS A 62 5.020 4.894 3.650 1.00 0.00 H new ATOM 0 HA LYS A 62 6.635 5.678 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.602 3.811 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.434 4.247 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.767 2.846 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.210 1.922 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.032 3.789 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.556 2.105 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.787 1.355 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.296 2.978 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.987 2.127 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.241 3.653 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.365 2.285 9.303 1.00 0.00 H new ATOM 1072 N PRO A 63 8.231 7.059 4.416 1.00 0.00 N ATOM 1073 CA PRO A 63 8.827 8.116 3.592 1.00 0.00 C ATOM 1074 C PRO A 63 9.396 7.593 2.276 1.00 0.00 C ATOM 1075 O PRO A 63 9.886 8.362 1.450 1.00 0.00 O ATOM 1076 CB PRO A 63 9.945 8.679 4.475 1.00 0.00 C ATOM 1077 CG PRO A 63 10.271 7.581 5.427 1.00 0.00 C ATOM 1078 CD PRO A 63 8.982 6.846 5.668 1.00 0.00 C ATOM 0 HA PRO A 63 8.085 8.858 3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.815 8.958 3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.618 9.575 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.028 6.916 5.011 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.674 7.979 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.153 5.787 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.447 7.244 6.531 1.00 0.00 H new ATOM 1086 N ASP A 64 9.320 6.283 2.083 1.00 0.00 N ATOM 1087 CA ASP A 64 9.818 5.653 0.867 1.00 0.00 C ATOM 1088 C ASP A 64 8.848 4.579 0.376 1.00 0.00 C ATOM 1089 O ASP A 64 9.239 3.659 -0.341 1.00 0.00 O ATOM 1090 CB ASP A 64 11.196 5.036 1.114 1.00 0.00 C ATOM 1091 CG ASP A 64 12.019 4.934 -0.155 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.799 5.751 -1.074 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.885 4.038 -0.229 1.00 0.00 O ATOM 0 H ASP A 64 8.916 5.633 2.757 1.00 0.00 H new ATOM 0 HA ASP A 64 9.904 6.421 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.735 5.638 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.074 4.043 1.546 1.00 0.00 H new ATOM 1098 N VAL A 65 7.581 4.707 0.765 1.00 0.00 N ATOM 1099 CA VAL A 65 6.558 3.748 0.364 1.00 0.00 C ATOM 1100 C VAL A 65 5.281 4.457 -0.074 1.00 0.00 C ATOM 1101 O VAL A 65 4.952 5.533 0.424 1.00 0.00 O ATOM 1102 CB VAL A 65 6.215 2.774 1.509 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.198 1.742 1.048 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.472 2.095 2.025 1.00 0.00 C ATOM 0 H VAL A 65 7.240 5.465 1.357 1.00 0.00 H new ATOM 0 HA VAL A 65 6.969 3.185 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 65 5.774 3.345 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.969 1.064 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.286 2.247 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.609 1.174 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.211 1.411 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.943 1.537 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.166 2.849 2.398 1.00 0.00 H new ATOM 1114 N LEU A 66 4.564 3.838 -1.005 1.00 0.00 N ATOM 1115 CA LEU A 66 3.316 4.400 -1.511 1.00 0.00 C ATOM 1116 C LEU A 66 2.337 3.290 -1.878 1.00 0.00 C ATOM 1117 O LEU A 66 2.264 2.868 -3.033 1.00 0.00 O ATOM 1118 CB LEU A 66 3.581 5.288 -2.729 1.00 0.00 C ATOM 1119 CG LEU A 66 4.921 6.027 -2.720 1.00 0.00 C ATOM 1120 CD1 LEU A 66 5.265 6.526 -4.115 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.885 7.184 -1.733 1.00 0.00 C ATOM 0 H LEU A 66 4.825 2.946 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 66 2.874 5.009 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.531 4.671 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.780 6.023 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 66 5.696 5.329 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.221 7.049 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.333 5.679 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.488 7.208 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.846 7.698 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.098 7.882 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.685 6.802 -0.732 1.00 0.00 H new ATOM 1133 N LEU A 67 1.591 2.817 -0.886 1.00 0.00 N ATOM 1134 CA LEU A 67 0.619 1.750 -1.097 1.00 0.00 C ATOM 1135 C LEU A 67 -0.727 2.313 -1.549 1.00 0.00 C ATOM 1136 O LEU A 67 -1.282 3.208 -0.912 1.00 0.00 O ATOM 1137 CB LEU A 67 0.452 0.940 0.195 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.736 -0.029 0.225 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -0.858 -0.777 -1.095 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.594 -1.006 1.382 1.00 0.00 C ATOM 0 H LEU A 67 1.641 3.156 0.075 1.00 0.00 H new ATOM 0 HA LEU A 67 0.989 1.096 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.366 0.371 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.350 1.636 1.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.647 0.551 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.708 -1.458 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.008 -0.063 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.054 -1.346 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.445 -1.687 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.327 -1.577 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.562 -0.455 2.322 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.243 1.778 -2.652 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.524 2.221 -3.193 1.00 0.00 C ATOM 1154 C VAL A 68 -3.633 1.230 -2.854 1.00 0.00 C ATOM 1155 O VAL A 68 -3.441 0.016 -2.936 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.453 2.395 -4.724 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.778 2.911 -5.271 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.310 3.326 -5.102 1.00 0.00 C ATOM 0 H VAL A 68 -0.793 1.037 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.749 3.184 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.261 1.420 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.705 3.026 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.571 2.201 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.008 3.875 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.275 3.437 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.468 4.301 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.368 2.907 -4.749 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.793 1.754 -2.477 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.934 0.914 -2.130 1.00 0.00 C ATOM 1170 C TYR A 69 -7.248 1.638 -2.405 1.00 0.00 C ATOM 1171 O TYR A 69 -7.260 2.833 -2.699 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.862 0.506 -0.657 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.887 1.677 0.297 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -4.826 2.571 0.356 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -6.972 1.890 1.137 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -4.844 3.645 1.227 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -6.998 2.960 2.010 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.932 3.834 2.052 1.00 0.00 C ATOM 1179 OH TYR A 69 -5.954 4.901 2.920 1.00 0.00 O ATOM 0 H TYR A 69 -4.969 2.756 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.897 0.019 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.699 -0.154 -0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.950 -0.067 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.972 2.425 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.809 1.208 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.011 4.331 1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.849 3.112 2.657 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.791 4.891 3.429 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.353 0.906 -2.308 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.672 1.479 -2.546 1.00 0.00 C ATOM 1191 C LEU A 70 -10.576 1.291 -1.331 1.00 0.00 C ATOM 1192 O LEU A 70 -10.419 0.334 -0.573 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.316 0.839 -3.778 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.180 1.776 -4.621 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.388 3.009 -5.028 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.714 1.052 -5.847 1.00 0.00 C ATOM 0 H LEU A 70 -8.361 -0.085 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.548 2.547 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.527 0.431 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.930 -0.001 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.029 2.098 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.019 3.665 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.057 3.540 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.519 2.707 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.327 1.735 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.880 0.700 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.319 0.201 -5.533 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.517 2.211 -1.150 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.443 2.145 -0.027 1.00 0.00 C ATOM 1210 C VAL A 71 -13.812 1.638 -0.472 1.00 0.00 C ATOM 1211 O VAL A 71 -14.546 2.339 -1.169 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.610 3.521 0.647 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.455 3.402 1.908 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.252 4.132 0.963 1.00 0.00 C ATOM 0 H VAL A 71 -11.658 3.011 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.017 1.447 0.693 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.127 4.182 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.561 4.384 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.440 3.014 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.969 2.723 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.392 5.103 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.705 3.473 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.686 4.258 0.040 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.148 0.421 -0.063 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.429 -0.180 -0.418 1.00 0.00 C ATOM 1226 C LYS A 72 -16.390 -0.144 0.766 1.00 0.00 C ATOM 1227 O LYS A 72 -16.012 0.238 1.873 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.228 -1.622 -0.885 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.141 -2.022 -2.034 1.00 0.00 C ATOM 1230 CD LYS A 72 -17.118 -3.111 -1.620 1.00 0.00 C ATOM 1231 CE LYS A 72 -18.131 -3.399 -2.716 1.00 0.00 C ATOM 1232 NZ LYS A 72 -19.528 -3.374 -2.202 1.00 0.00 N ATOM 0 H LYS A 72 -13.551 -0.170 0.515 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.862 0.399 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.191 -1.754 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.399 -2.295 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.694 -1.149 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.539 -2.372 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.569 -4.022 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.639 -2.807 -0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -18.024 -2.662 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.923 -4.375 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.188 -3.575 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -19.638 -4.094 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -19.735 -2.435 -1.806 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.633 -0.546 0.525 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.646 -0.560 1.575 1.00 0.00 C ATOM 1248 C ASP A 73 -18.228 -1.471 2.723 1.00 0.00 C ATOM 1249 O ASP A 73 -18.303 -2.695 2.619 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.990 -1.019 1.011 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.624 0.020 0.106 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.268 0.062 -1.091 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.476 0.793 0.593 1.00 0.00 O ATOM 0 H ASP A 73 -17.963 -0.866 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.748 0.455 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.849 -1.945 0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.669 -1.242 1.834 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.787 -0.863 3.821 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.358 -1.614 4.995 1.00 0.00 C ATOM 1260 C ASP A 74 -16.291 -2.646 4.630 1.00 0.00 C ATOM 1261 O ASP A 74 -16.125 -3.650 5.323 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.556 -2.308 5.648 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.873 -1.746 7.021 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.916 -0.505 7.160 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.079 -2.547 7.956 1.00 0.00 O ATOM 0 H ASP A 74 -17.718 0.150 3.921 1.00 0.00 H new ATOM 0 HA ASP A 74 -16.923 -0.910 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.429 -2.201 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.352 -3.375 5.734 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.572 -2.395 3.541 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.526 -3.305 3.090 1.00 0.00 C ATOM 1272 C GLU A 75 -13.424 -2.548 2.354 1.00 0.00 C ATOM 1273 O GLU A 75 -13.697 -1.636 1.573 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.116 -4.383 2.180 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.767 -5.529 2.938 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.254 -5.642 2.659 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.619 -6.118 1.564 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -18.054 -5.259 3.539 1.00 0.00 O ATOM 0 H GLU A 75 -15.695 -1.569 2.955 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.090 -3.780 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.856 -3.927 1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.326 -4.782 1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.278 -6.464 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.611 -5.387 4.007 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.177 -2.935 2.606 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.032 -2.296 1.968 1.00 0.00 C ATOM 1287 C LEU A 76 -10.358 -3.248 0.985 1.00 0.00 C ATOM 1288 O LEU A 76 -10.386 -4.465 1.168 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.025 -1.836 3.023 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.155 -0.645 2.613 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.935 0.653 2.743 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.889 -0.595 3.454 1.00 0.00 C ATOM 0 H LEU A 76 -11.934 -3.689 3.248 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.392 -1.427 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.568 -1.574 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.374 -2.674 3.271 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.868 -0.770 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.301 1.489 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.812 0.617 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.251 0.785 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.283 0.258 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.155 -0.493 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.321 -1.514 3.311 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.757 -2.689 -0.061 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.079 -3.492 -1.070 1.00 0.00 C ATOM 1306 C ILE A 77 -7.728 -2.889 -1.448 1.00 0.00 C ATOM 1307 O ILE A 77 -7.630 -1.700 -1.747 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.945 -3.637 -2.340 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.080 -2.291 -3.058 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.317 -4.188 -1.982 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.033 -2.069 -4.127 1.00 0.00 C ATOM 0 H ILE A 77 -9.726 -1.684 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.915 -4.477 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.453 -4.337 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.069 -2.228 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.014 -1.488 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.917 -4.285 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.205 -5.166 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.813 -3.508 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.190 -1.096 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.041 -2.100 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.113 -2.851 -4.882 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.689 -3.721 -1.437 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.347 -3.269 -1.783 1.00 0.00 C ATOM 1325 C LEU A 78 -5.170 -3.221 -3.297 1.00 0.00 C ATOM 1326 O LEU A 78 -5.441 -4.197 -3.994 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.297 -4.191 -1.162 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.348 -4.295 0.362 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.241 -5.203 0.874 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.242 -2.915 0.994 1.00 0.00 C ATOM 0 H LEU A 78 -6.752 -4.709 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.213 -2.263 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.417 -5.189 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.308 -3.839 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.306 -4.731 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.294 -5.264 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.361 -6.199 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.273 -4.797 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.280 -3.008 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.299 -2.453 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.071 -2.294 0.654 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.716 -2.077 -3.801 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.509 -1.904 -5.235 1.00 0.00 C ATOM 1344 C LEU A 79 -3.108 -2.348 -5.644 1.00 0.00 C ATOM 1345 O LEU A 79 -2.938 -3.397 -6.268 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.733 -0.441 -5.631 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.957 -0.192 -6.516 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.068 0.475 -5.718 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.582 0.659 -7.722 1.00 0.00 C ATOM 0 H LEU A 79 -4.485 -1.258 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.232 -2.530 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.832 0.155 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.846 -0.081 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.321 -1.155 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.929 0.644 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.358 -0.170 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.714 1.430 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.465 0.825 -8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.191 1.618 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.821 0.144 -8.309 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.110 -1.544 -5.293 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.727 -1.859 -5.629 1.00 0.00 C ATOM 1363 C ARG A 80 0.239 -1.172 -4.668 1.00 0.00 C ATOM 1364 O ARG A 80 -0.171 -0.379 -3.820 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.422 -1.432 -7.067 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.530 0.068 -7.290 1.00 0.00 C ATOM 1367 CD ARG A 80 0.826 0.696 -7.576 1.00 0.00 C ATOM 1368 NE ARG A 80 0.945 1.136 -8.963 1.00 0.00 N ATOM 1369 CZ ARG A 80 0.311 2.195 -9.463 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -0.487 2.922 -8.692 1.00 0.00 N ATOM 1371 NH2 ARG A 80 0.479 2.527 -10.735 1.00 0.00 N ATOM 0 H ARG A 80 -2.233 -0.672 -4.778 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.594 -2.937 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.584 -1.759 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.109 -1.942 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.204 0.264 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.969 0.536 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.979 1.547 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.613 -0.025 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 80 1.550 0.601 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.617 2.671 -7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.971 3.732 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.093 1.972 -11.330 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.006 3.338 -11.119 1.00 0.00 H new ATOM 1385 N LEU A 81 1.524 -1.483 -4.807 1.00 0.00 N ATOM 1386 CA LEU A 81 2.550 -0.899 -3.952 1.00 0.00 C ATOM 1387 C LEU A 81 3.666 -0.280 -4.788 1.00 0.00 C ATOM 1388 O LEU A 81 4.085 -0.844 -5.799 1.00 0.00 O ATOM 1389 CB LEU A 81 3.128 -1.962 -3.014 1.00 0.00 C ATOM 1390 CG LEU A 81 4.068 -1.433 -1.925 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.419 -1.062 -2.518 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.447 -0.236 -1.216 1.00 0.00 C ATOM 0 H LEU A 81 1.879 -2.137 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 81 2.087 -0.112 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.302 -2.487 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.668 -2.696 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 81 4.222 -2.224 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.072 -0.689 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.870 -1.943 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.284 -0.289 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.129 0.125 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.261 0.559 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.505 -0.534 -0.755 1.00 0.00 H new ATOM 1404 N GLY A 82 4.144 0.884 -4.358 1.00 0.00 N ATOM 1405 CA GLY A 82 5.207 1.560 -5.077 1.00 0.00 C ATOM 1406 C GLY A 82 6.064 2.421 -4.169 1.00 0.00 C ATOM 1407 O GLY A 82 5.863 2.446 -2.956 1.00 0.00 O ATOM 0 H GLY A 82 3.814 1.370 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.836 0.819 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.774 2.182 -5.860 1.00 0.00 H new ATOM 1411 N SER A 83 7.022 3.131 -4.759 1.00 0.00 N ATOM 1412 CA SER A 83 7.910 3.996 -3.995 1.00 0.00 C ATOM 1413 C SER A 83 8.029 5.365 -4.654 1.00 0.00 C ATOM 1414 O SER A 83 7.612 5.554 -5.797 1.00 0.00 O ATOM 1415 CB SER A 83 9.293 3.358 -3.864 1.00 0.00 C ATOM 1416 OG SER A 83 9.231 2.153 -3.120 1.00 0.00 O ATOM 0 H SER A 83 7.201 3.123 -5.763 1.00 0.00 H new ATOM 0 HA SER A 83 7.484 4.125 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.699 3.156 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.974 4.056 -3.376 1.00 0.00 H new ATOM 0 HG SER A 83 9.223 2.360 -2.162 1.00 0.00 H new ATOM 1422 N HIS A 84 8.600 6.319 -3.927 1.00 0.00 N ATOM 1423 CA HIS A 84 8.774 7.672 -4.441 1.00 0.00 C ATOM 1424 C HIS A 84 9.568 7.662 -5.744 1.00 0.00 C ATOM 1425 O HIS A 84 9.367 8.512 -6.610 1.00 0.00 O ATOM 1426 CB HIS A 84 9.485 8.544 -3.405 1.00 0.00 C ATOM 1427 CG HIS A 84 9.032 9.971 -3.412 1.00 0.00 C ATOM 1428 ND1 HIS A 84 8.279 10.517 -4.431 1.00 0.00 N ATOM 1429 CD2 HIS A 84 9.226 10.967 -2.516 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.031 11.787 -4.161 1.00 0.00 C ATOM 1431 NE2 HIS A 84 8.595 12.085 -3.005 1.00 0.00 N ATOM 0 H HIS A 84 8.950 6.180 -2.979 1.00 0.00 H new ATOM 0 HA HIS A 84 7.787 8.088 -4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.319 8.124 -2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.559 8.511 -3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.775 10.896 -1.589 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.464 12.466 -4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.567 12.997 -2.549 1.00 0.00 H new ATOM 1440 N SER A 85 10.471 6.696 -5.874 1.00 0.00 N ATOM 1441 CA SER A 85 11.296 6.574 -7.071 1.00 0.00 C ATOM 1442 C SER A 85 10.630 5.681 -8.116 1.00 0.00 C ATOM 1443 O SER A 85 10.937 5.769 -9.305 1.00 0.00 O ATOM 1444 CB SER A 85 12.672 6.013 -6.709 1.00 0.00 C ATOM 1445 OG SER A 85 13.263 6.751 -5.654 1.00 0.00 O ATOM 0 H SER A 85 10.650 5.985 -5.165 1.00 0.00 H new ATOM 0 HA SER A 85 11.413 7.570 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.576 4.967 -6.416 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.321 6.041 -7.584 1.00 0.00 H new ATOM 0 HG SER A 85 14.141 6.371 -5.441 1.00 0.00 H new ATOM 1451 N GLU A 86 9.727 4.816 -7.666 1.00 0.00 N ATOM 1452 CA GLU A 86 9.031 3.901 -8.564 1.00 0.00 C ATOM 1453 C GLU A 86 7.844 4.581 -9.240 1.00 0.00 C ATOM 1454 O GLU A 86 7.849 4.796 -10.452 1.00 0.00 O ATOM 1455 CB GLU A 86 8.558 2.664 -7.796 1.00 0.00 C ATOM 1456 CG GLU A 86 9.176 1.368 -8.295 1.00 0.00 C ATOM 1457 CD GLU A 86 8.357 0.717 -9.391 1.00 0.00 C ATOM 1458 OE1 GLU A 86 8.131 1.371 -10.432 1.00 0.00 O ATOM 1459 OE2 GLU A 86 7.944 -0.448 -9.213 1.00 0.00 O ATOM 0 H GLU A 86 9.460 4.729 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 86 9.733 3.596 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.797 2.788 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.473 2.592 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.181 1.568 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.278 0.673 -7.461 1.00 0.00 H new ATOM 1466 N LEU A 87 6.828 4.913 -8.451 1.00 0.00 N ATOM 1467 CA LEU A 87 5.629 5.561 -8.976 1.00 0.00 C ATOM 1468 C LEU A 87 5.982 6.786 -9.819 1.00 0.00 C ATOM 1469 O LEU A 87 5.223 7.174 -10.709 1.00 0.00 O ATOM 1470 CB LEU A 87 4.698 5.966 -7.830 1.00 0.00 C ATOM 1471 CG LEU A 87 4.060 4.803 -7.066 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.970 5.311 -6.137 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.497 3.770 -8.032 1.00 0.00 C ATOM 0 H LEU A 87 6.810 4.745 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 87 5.117 4.843 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.261 6.578 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.904 6.594 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 87 4.832 4.324 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.527 4.471 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.400 6.012 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.200 5.815 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.048 2.952 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.739 4.236 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.300 3.382 -8.658 1.00 0.00 H new ATOM 1485 N PHE A 88 7.133 7.388 -9.539 1.00 0.00 N ATOM 1486 CA PHE A 88 7.574 8.565 -10.277 1.00 0.00 C ATOM 1487 C PHE A 88 8.507 8.173 -11.419 1.00 0.00 C ATOM 1488 O PHE A 88 8.750 9.022 -12.302 1.00 0.00 O ATOM 1489 CB PHE A 88 8.280 9.549 -9.345 1.00 0.00 C ATOM 1490 CG PHE A 88 7.342 10.319 -8.460 1.00 0.00 C ATOM 1491 CD1 PHE A 88 6.426 9.659 -7.655 1.00 0.00 C ATOM 1492 CD2 PHE A 88 7.376 11.705 -8.432 1.00 0.00 C ATOM 1493 CE1 PHE A 88 5.562 10.367 -6.841 1.00 0.00 C ATOM 1494 CE2 PHE A 88 6.515 12.417 -7.619 1.00 0.00 C ATOM 1495 CZ PHE A 88 5.608 11.747 -6.823 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.987 7.020 -11.419 1.00 0.00 O ATOM 0 H PHE A 88 7.775 7.081 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 88 6.691 9.046 -10.698 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.987 9.002 -8.722 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.860 10.251 -9.944 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.387 8.580 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.084 12.234 -9.053 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.852 9.842 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.552 13.496 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.935 12.302 -6.186 1.00 0.00 H new TER 1506 PHE A 88