USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 500 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 NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 107 HIS : no HD1:sc= -0.623 X(o=-3.3,f=-3.3) USER MOD Set 1.2: A 109 TYR OH : rot 0:sc= -1.45 USER MOD Set 1.3: A 138 ASN : amide:sc= -1.25 K(o=-3.3,f=-4.6!) USER MOD Single : A 94 GLN : amide:sc= -0.0996 X(o=-0.1,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 68:sc= 1.25 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.249 F(o=-1.1,f=-0.25) USER MOD Single : A 120 SER OG : rot 92:sc= 0.48 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.013) USER MOD Single : A 128 GLN :FLIP amide:sc= -1.01 F(o=-3.6!,f=-1) USER MOD Single : A 130 MET CE :methyl -123:sc= -0.0722 (180deg=-0.211) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 88:sc= 0.0102 USER MOD Single : A 149 SER OG : rot 180:sc= 0.00235 USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 156 THR OG1 : rot 30:sc= 0.469 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -17.164 20.291 0.369 1.00 0.00 N ATOM 2 CA GLN A 94 -16.314 20.876 -0.707 1.00 0.00 C ATOM 3 C GLN A 94 -15.624 19.750 -1.481 1.00 0.00 C ATOM 4 O GLN A 94 -15.896 19.528 -2.643 1.00 0.00 O ATOM 5 CB GLN A 94 -15.257 21.788 -0.082 1.00 0.00 C ATOM 6 CG GLN A 94 -15.945 22.951 0.637 1.00 0.00 C ATOM 7 CD GLN A 94 -15.013 24.163 0.657 1.00 0.00 C ATOM 8 OE1 GLN A 94 -14.617 24.622 1.710 1.00 0.00 O ATOM 9 NE2 GLN A 94 -14.644 24.705 -0.471 1.00 0.00 N ATOM 0 HA GLN A 94 -16.937 21.456 -1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -14.644 21.224 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.588 22.169 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.877 23.204 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -16.203 22.661 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -14.977 24.320 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -14.023 25.514 -0.469 1.00 0.00 H new ATOM 20 N THR A 95 -14.735 19.039 -0.845 1.00 0.00 N ATOM 21 CA THR A 95 -14.031 17.929 -1.545 1.00 0.00 C ATOM 22 C THR A 95 -14.753 16.610 -1.264 1.00 0.00 C ATOM 23 O THR A 95 -15.348 16.427 -0.220 1.00 0.00 O ATOM 24 CB THR A 95 -12.588 17.839 -1.037 1.00 0.00 C ATOM 25 OG1 THR A 95 -12.565 17.133 0.195 1.00 0.00 O ATOM 26 CG2 THR A 95 -12.029 19.248 -0.833 1.00 0.00 C ATOM 0 H THR A 95 -14.466 19.179 0.129 1.00 0.00 H new ATOM 0 HA THR A 95 -14.028 18.120 -2.618 1.00 0.00 H new ATOM 0 HB THR A 95 -11.976 17.311 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.643 17.073 0.521 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.003 19.183 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.047 19.787 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.638 19.779 -0.102 1.00 0.00 H new ATOM 34 N ASP A 96 -14.709 15.687 -2.186 1.00 0.00 N ATOM 35 CA ASP A 96 -15.395 14.383 -1.969 1.00 0.00 C ATOM 36 C ASP A 96 -14.518 13.247 -2.500 1.00 0.00 C ATOM 37 O ASP A 96 -14.844 12.605 -3.479 1.00 0.00 O ATOM 38 CB ASP A 96 -16.734 14.383 -2.710 1.00 0.00 C ATOM 39 CG ASP A 96 -16.488 14.532 -4.211 1.00 0.00 C ATOM 40 OD1 ASP A 96 -15.938 15.548 -4.603 1.00 0.00 O ATOM 41 OD2 ASP A 96 -16.851 13.627 -4.945 1.00 0.00 O ATOM 0 H ASP A 96 -14.227 15.780 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 96 -15.568 14.238 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.272 13.457 -2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -17.360 15.200 -2.351 1.00 0.00 H new ATOM 46 N ASP A 97 -13.409 12.994 -1.863 1.00 0.00 N ATOM 47 CA ASP A 97 -12.514 11.898 -2.332 1.00 0.00 C ATOM 48 C ASP A 97 -13.204 10.548 -2.111 1.00 0.00 C ATOM 49 O ASP A 97 -14.051 10.421 -1.249 1.00 0.00 O ATOM 50 CB ASP A 97 -11.203 11.936 -1.543 1.00 0.00 C ATOM 51 CG ASP A 97 -11.475 11.567 -0.084 1.00 0.00 C ATOM 52 OD1 ASP A 97 -11.904 10.450 0.155 1.00 0.00 O ATOM 53 OD2 ASP A 97 -11.250 12.408 0.771 1.00 0.00 O ATOM 0 H ASP A 97 -13.083 13.498 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.303 12.030 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.485 11.241 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.760 12.930 -1.601 1.00 0.00 H new ATOM 58 N PRO A 98 -12.816 9.579 -2.899 1.00 0.00 N ATOM 59 CA PRO A 98 -13.376 8.219 -2.820 1.00 0.00 C ATOM 60 C PRO A 98 -12.767 7.458 -1.638 1.00 0.00 C ATOM 61 O PRO A 98 -11.598 7.595 -1.336 1.00 0.00 O ATOM 62 CB PRO A 98 -12.965 7.583 -4.151 1.00 0.00 C ATOM 63 CG PRO A 98 -11.743 8.385 -4.659 1.00 0.00 C ATOM 64 CD PRO A 98 -11.783 9.748 -3.942 1.00 0.00 C ATOM 0 HA PRO A 98 -14.455 8.207 -2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -12.711 6.531 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -13.783 7.624 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.815 7.858 -4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.787 8.514 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.815 9.998 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.040 10.553 -4.631 1.00 0.00 H new ATOM 72 N ARG A 99 -13.551 6.659 -0.969 1.00 0.00 N ATOM 73 CA ARG A 99 -13.017 5.891 0.192 1.00 0.00 C ATOM 74 C ARG A 99 -12.879 4.416 -0.191 1.00 0.00 C ATOM 75 O ARG A 99 -12.788 3.551 0.657 1.00 0.00 O ATOM 76 CB ARG A 99 -13.979 6.023 1.375 1.00 0.00 C ATOM 77 CG ARG A 99 -13.706 7.334 2.113 1.00 0.00 C ATOM 78 CD ARG A 99 -14.993 8.158 2.187 1.00 0.00 C ATOM 79 NE ARG A 99 -14.714 9.456 2.865 1.00 0.00 N ATOM 80 CZ ARG A 99 -15.680 10.312 3.058 1.00 0.00 C ATOM 81 NH1 ARG A 99 -16.540 10.552 2.106 1.00 0.00 N ATOM 82 NH2 ARG A 99 -15.787 10.927 4.203 1.00 0.00 N ATOM 0 H ARG A 99 -14.538 6.504 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.040 6.286 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.010 6.000 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.855 5.179 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.336 7.128 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.930 7.899 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.382 8.336 1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.759 7.607 2.733 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.768 9.675 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.457 10.070 1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.295 11.221 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.116 10.739 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.542 11.596 4.354 1.00 0.00 H new ATOM 96 N ASN A 100 -12.862 4.122 -1.463 1.00 0.00 N ATOM 97 CA ASN A 100 -12.730 2.704 -1.898 1.00 0.00 C ATOM 98 C ASN A 100 -11.488 2.551 -2.779 1.00 0.00 C ATOM 99 O ASN A 100 -11.424 1.690 -3.633 1.00 0.00 O ATOM 100 CB ASN A 100 -13.973 2.296 -2.692 1.00 0.00 C ATOM 101 CG ASN A 100 -15.051 1.791 -1.732 1.00 0.00 C ATOM 102 OD1 ASN A 100 -14.749 1.341 -0.644 1.00 0.00 O ATOM 103 ND2 ASN A 100 -16.304 1.849 -2.088 1.00 0.00 N ATOM 0 H ASN A 100 -12.934 4.803 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.632 2.064 -1.021 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -14.348 3.146 -3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -13.718 1.518 -3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.030 1.517 -1.454 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -16.558 2.227 -3.001 1.00 0.00 H new ATOM 110 N LYS A 101 -10.502 3.381 -2.578 1.00 0.00 N ATOM 111 CA LYS A 101 -9.265 3.282 -3.403 1.00 0.00 C ATOM 112 C LYS A 101 -8.083 2.919 -2.503 1.00 0.00 C ATOM 113 O LYS A 101 -8.214 2.823 -1.299 1.00 0.00 O ATOM 114 CB LYS A 101 -8.995 4.625 -4.083 1.00 0.00 C ATOM 115 CG LYS A 101 -10.204 5.018 -4.935 1.00 0.00 C ATOM 116 CD LYS A 101 -10.342 4.042 -6.106 1.00 0.00 C ATOM 117 CE LYS A 101 -11.770 3.499 -6.152 1.00 0.00 C ATOM 118 NZ LYS A 101 -12.216 3.394 -7.570 1.00 0.00 N ATOM 0 H LYS A 101 -10.499 4.123 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.395 2.511 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.801 5.392 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.104 4.556 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.109 5.005 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.084 6.035 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.103 4.545 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.633 3.222 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.814 2.521 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.439 4.157 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.188 3.025 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.188 4.334 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.584 2.750 -8.086 1.00 0.00 H new ATOM 132 N HIS A 102 -6.928 2.714 -3.075 1.00 0.00 N ATOM 133 CA HIS A 102 -5.743 2.356 -2.246 1.00 0.00 C ATOM 134 C HIS A 102 -5.513 3.437 -1.189 1.00 0.00 C ATOM 135 O HIS A 102 -6.146 4.474 -1.194 1.00 0.00 O ATOM 136 CB HIS A 102 -4.502 2.253 -3.136 1.00 0.00 C ATOM 137 CG HIS A 102 -4.400 0.865 -3.706 1.00 0.00 C ATOM 138 ND1 HIS A 102 -4.694 -0.270 -2.963 1.00 0.00 N ATOM 139 CD2 HIS A 102 -4.043 0.414 -4.952 1.00 0.00 C ATOM 140 CE1 HIS A 102 -4.514 -1.336 -3.764 1.00 0.00 C ATOM 141 NE2 HIS A 102 -4.118 -0.975 -4.987 1.00 0.00 N ATOM 0 H HIS A 102 -6.754 2.779 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.924 1.398 -1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -4.559 2.984 -3.942 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.608 2.486 -2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -3.748 1.042 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -4.671 -2.359 -3.455 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -3.914 -1.586 -5.778 1.00 0.00 H new ATOM 148 N LYS A 103 -4.602 3.200 -0.289 1.00 0.00 N ATOM 149 CA LYS A 103 -4.309 4.205 0.770 1.00 0.00 C ATOM 150 C LYS A 103 -2.843 4.073 1.179 1.00 0.00 C ATOM 151 O LYS A 103 -2.496 4.174 2.339 1.00 0.00 O ATOM 152 CB LYS A 103 -5.208 3.952 1.983 1.00 0.00 C ATOM 153 CG LYS A 103 -5.479 5.275 2.704 1.00 0.00 C ATOM 154 CD LYS A 103 -6.912 5.280 3.239 1.00 0.00 C ATOM 155 CE LYS A 103 -7.514 6.677 3.073 1.00 0.00 C ATOM 156 NZ LYS A 103 -8.979 6.561 2.829 1.00 0.00 N ATOM 0 H LYS A 103 -4.044 2.348 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.499 5.209 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.148 3.500 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.730 3.247 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.773 5.406 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.332 6.111 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.514 4.547 2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.920 4.991 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.330 7.273 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.036 7.194 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.388 7.510 2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.144 6.008 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.429 6.084 3.636 1.00 0.00 H new ATOM 170 N PHE A 104 -1.984 3.839 0.227 1.00 0.00 N ATOM 171 CA PHE A 104 -0.537 3.689 0.540 1.00 0.00 C ATOM 172 C PHE A 104 -0.116 4.756 1.553 1.00 0.00 C ATOM 173 O PHE A 104 -0.581 5.877 1.518 1.00 0.00 O ATOM 174 CB PHE A 104 0.279 3.850 -0.744 1.00 0.00 C ATOM 175 CG PHE A 104 -0.267 2.928 -1.811 1.00 0.00 C ATOM 176 CD1 PHE A 104 0.050 1.562 -1.786 1.00 0.00 C ATOM 177 CD2 PHE A 104 -1.090 3.437 -2.825 1.00 0.00 C ATOM 178 CE1 PHE A 104 -0.455 0.707 -2.775 1.00 0.00 C ATOM 179 CE2 PHE A 104 -1.595 2.582 -3.813 1.00 0.00 C ATOM 180 CZ PHE A 104 -1.277 1.218 -3.789 1.00 0.00 C ATOM 0 H PHE A 104 -2.224 3.745 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.358 2.701 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.237 4.884 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.327 3.620 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 104 0.683 1.169 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.335 4.489 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.211 -0.345 -2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.230 2.975 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.665 0.560 -4.552 1.00 0.00 H new ATOM 190 N ARG A 105 0.764 4.414 2.455 1.00 0.00 N ATOM 191 CA ARG A 105 1.215 5.406 3.469 1.00 0.00 C ATOM 192 C ARG A 105 2.663 5.107 3.862 1.00 0.00 C ATOM 193 O ARG A 105 2.955 4.097 4.471 1.00 0.00 O ATOM 194 CB ARG A 105 0.322 5.311 4.708 1.00 0.00 C ATOM 195 CG ARG A 105 -0.894 6.222 4.534 1.00 0.00 C ATOM 196 CD ARG A 105 -1.253 6.856 5.879 1.00 0.00 C ATOM 197 NE ARG A 105 -1.170 8.340 5.767 1.00 0.00 N ATOM 198 CZ ARG A 105 -1.191 9.078 6.843 1.00 0.00 C ATOM 199 NH1 ARG A 105 -2.202 9.005 7.665 1.00 0.00 N ATOM 200 NH2 ARG A 105 -0.200 9.888 7.097 1.00 0.00 N ATOM 0 H ARG A 105 1.189 3.490 2.532 1.00 0.00 H new ATOM 0 HA ARG A 105 1.150 6.410 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -0.001 4.281 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.883 5.602 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.678 6.998 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.739 5.649 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.259 6.559 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.573 6.501 6.654 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.097 8.779 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.976 8.371 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.218 9.582 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.590 9.944 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -0.216 10.465 7.938 1.00 0.00 H new ATOM 214 N LEU A 106 3.572 5.976 3.519 1.00 0.00 N ATOM 215 CA LEU A 106 4.997 5.739 3.873 1.00 0.00 C ATOM 216 C LEU A 106 5.120 5.532 5.384 1.00 0.00 C ATOM 217 O LEU A 106 4.642 6.325 6.171 1.00 0.00 O ATOM 218 CB LEU A 106 5.835 6.948 3.445 1.00 0.00 C ATOM 219 CG LEU A 106 5.598 8.109 4.411 1.00 0.00 C ATOM 220 CD1 LEU A 106 6.412 9.323 3.963 1.00 0.00 C ATOM 221 CD2 LEU A 106 4.112 8.470 4.425 1.00 0.00 C ATOM 0 H LEU A 106 3.389 6.840 3.009 1.00 0.00 H new ATOM 0 HA LEU A 106 5.359 4.849 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.892 6.683 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.569 7.246 2.431 1.00 0.00 H new ATOM 0 HG LEU A 106 5.909 7.813 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.242 10.150 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.472 9.068 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.104 9.618 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.945 9.298 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.799 8.764 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.531 7.606 4.748 1.00 0.00 H new ATOM 233 N HIS A 107 5.755 4.470 5.795 1.00 0.00 N ATOM 234 CA HIS A 107 5.909 4.210 7.253 1.00 0.00 C ATOM 235 C HIS A 107 7.381 4.352 7.641 1.00 0.00 C ATOM 236 O HIS A 107 8.219 4.678 6.825 1.00 0.00 O ATOM 237 CB HIS A 107 5.430 2.792 7.572 1.00 0.00 C ATOM 238 CG HIS A 107 4.042 2.852 8.147 1.00 0.00 C ATOM 239 ND1 HIS A 107 3.787 2.614 9.488 1.00 0.00 N ATOM 240 CD2 HIS A 107 2.823 3.125 7.577 1.00 0.00 C ATOM 241 CE1 HIS A 107 2.461 2.745 9.678 1.00 0.00 C ATOM 242 NE2 HIS A 107 1.827 3.057 8.545 1.00 0.00 N ATOM 0 H HIS A 107 6.174 3.770 5.183 1.00 0.00 H new ATOM 0 HA HIS A 107 5.314 4.928 7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.435 2.182 6.668 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.109 2.318 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.662 3.357 6.535 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.970 2.614 10.631 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.827 3.212 8.417 1.00 0.00 H new ATOM 250 N SER A 108 7.702 4.116 8.883 1.00 0.00 N ATOM 251 CA SER A 108 9.121 4.246 9.319 1.00 0.00 C ATOM 252 C SER A 108 9.499 3.068 10.221 1.00 0.00 C ATOM 253 O SER A 108 10.047 3.248 11.291 1.00 0.00 O ATOM 254 CB SER A 108 9.297 5.554 10.090 1.00 0.00 C ATOM 255 OG SER A 108 8.471 6.556 9.511 1.00 0.00 O ATOM 0 H SER A 108 7.045 3.840 9.613 1.00 0.00 H new ATOM 0 HA SER A 108 9.768 4.247 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.033 5.410 11.138 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.341 5.867 10.064 1.00 0.00 H new ATOM 0 HG SER A 108 8.581 7.396 10.004 1.00 0.00 H new ATOM 261 N TYR A 109 9.224 1.863 9.798 1.00 0.00 N ATOM 262 CA TYR A 109 9.586 0.686 10.639 1.00 0.00 C ATOM 263 C TYR A 109 11.099 0.680 10.860 1.00 0.00 C ATOM 264 O TYR A 109 11.770 1.671 10.648 1.00 0.00 O ATOM 265 CB TYR A 109 9.179 -0.613 9.933 1.00 0.00 C ATOM 266 CG TYR A 109 7.911 -0.398 9.141 1.00 0.00 C ATOM 267 CD1 TYR A 109 6.672 -0.368 9.793 1.00 0.00 C ATOM 268 CD2 TYR A 109 7.976 -0.235 7.750 1.00 0.00 C ATOM 269 CE1 TYR A 109 5.496 -0.175 9.056 1.00 0.00 C ATOM 270 CE2 TYR A 109 6.800 -0.040 7.013 1.00 0.00 C ATOM 271 CZ TYR A 109 5.561 -0.010 7.666 1.00 0.00 C ATOM 272 OH TYR A 109 4.403 0.181 6.939 1.00 0.00 O ATOM 0 H TYR A 109 8.767 1.644 8.913 1.00 0.00 H new ATOM 0 HA TYR A 109 9.064 0.753 11.593 1.00 0.00 H new ATOM 0 HB2 TYR A 109 9.979 -0.942 9.270 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.028 -1.404 10.668 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.623 -0.494 10.865 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.931 -0.260 7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.540 -0.153 9.559 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.849 0.087 5.942 1.00 0.00 H new ATOM 0 HH TYR A 109 3.632 0.174 7.544 1.00 0.00 H new ATOM 282 N SER A 110 11.645 -0.431 11.272 1.00 0.00 N ATOM 283 CA SER A 110 13.118 -0.498 11.491 1.00 0.00 C ATOM 284 C SER A 110 13.815 -0.763 10.153 1.00 0.00 C ATOM 285 O SER A 110 15.026 -0.789 10.068 1.00 0.00 O ATOM 286 CB SER A 110 13.437 -1.630 12.467 1.00 0.00 C ATOM 287 OG SER A 110 13.319 -2.877 11.795 1.00 0.00 O ATOM 0 H SER A 110 11.136 -1.294 11.466 1.00 0.00 H new ATOM 0 HA SER A 110 13.471 0.446 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.446 -1.511 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.755 -1.596 13.317 1.00 0.00 H new ATOM 0 HG SER A 110 13.525 -3.605 12.418 1.00 0.00 H new ATOM 293 N SER A 111 13.056 -0.961 9.108 1.00 0.00 N ATOM 294 CA SER A 111 13.665 -1.225 7.776 1.00 0.00 C ATOM 295 C SER A 111 12.556 -1.276 6.720 1.00 0.00 C ATOM 296 O SER A 111 11.392 -1.364 7.057 1.00 0.00 O ATOM 297 CB SER A 111 14.403 -2.564 7.810 1.00 0.00 C ATOM 298 OG SER A 111 15.751 -2.348 8.208 1.00 0.00 O ATOM 0 H SER A 111 12.036 -0.951 9.122 1.00 0.00 H new ATOM 0 HA SER A 111 14.370 -0.432 7.529 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.912 -3.246 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.373 -3.034 6.827 1.00 0.00 H new ATOM 0 HG SER A 111 15.773 -2.057 9.144 1.00 0.00 H new ATOM 304 N PRO A 112 12.950 -1.219 5.475 1.00 0.00 N ATOM 305 CA PRO A 112 12.005 -1.255 4.347 1.00 0.00 C ATOM 306 C PRO A 112 11.508 -2.682 4.105 1.00 0.00 C ATOM 307 O PRO A 112 12.255 -3.635 4.197 1.00 0.00 O ATOM 308 CB PRO A 112 12.834 -0.747 3.165 1.00 0.00 C ATOM 309 CG PRO A 112 14.318 -0.979 3.539 1.00 0.00 C ATOM 310 CD PRO A 112 14.369 -1.114 5.074 1.00 0.00 C ATOM 0 HA PRO A 112 11.111 -0.655 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.576 -1.282 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.641 0.310 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 112 14.703 -1.878 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.937 -0.147 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.935 -1.994 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.850 -0.251 5.534 1.00 0.00 H new ATOM 318 N THR A 113 10.249 -2.832 3.800 1.00 0.00 N ATOM 319 CA THR A 113 9.697 -4.193 3.553 1.00 0.00 C ATOM 320 C THR A 113 9.852 -4.538 2.074 1.00 0.00 C ATOM 321 O THR A 113 10.278 -3.725 1.280 1.00 0.00 O ATOM 322 CB THR A 113 8.216 -4.221 3.933 1.00 0.00 C ATOM 323 OG1 THR A 113 7.986 -3.312 5.000 1.00 0.00 O ATOM 324 CG2 THR A 113 7.826 -5.634 4.369 1.00 0.00 C ATOM 0 H THR A 113 9.578 -2.069 3.711 1.00 0.00 H new ATOM 0 HA THR A 113 10.237 -4.922 4.157 1.00 0.00 H new ATOM 0 HB THR A 113 7.613 -3.931 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.037 -3.327 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 113 6.770 -5.653 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.003 -6.330 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.427 -5.928 5.230 1.00 0.00 H new ATOM 332 N PHE A 114 9.515 -5.736 1.699 1.00 0.00 N ATOM 333 CA PHE A 114 9.653 -6.129 0.270 1.00 0.00 C ATOM 334 C PHE A 114 8.477 -5.571 -0.534 1.00 0.00 C ATOM 335 O PHE A 114 7.357 -5.523 -0.068 1.00 0.00 O ATOM 336 CB PHE A 114 9.667 -7.655 0.157 1.00 0.00 C ATOM 337 CG PHE A 114 10.989 -8.188 0.655 1.00 0.00 C ATOM 338 CD1 PHE A 114 11.324 -8.076 2.011 1.00 0.00 C ATOM 339 CD2 PHE A 114 11.880 -8.796 -0.239 1.00 0.00 C ATOM 340 CE1 PHE A 114 12.551 -8.571 2.473 1.00 0.00 C ATOM 341 CE2 PHE A 114 13.107 -9.292 0.223 1.00 0.00 C ATOM 342 CZ PHE A 114 13.442 -9.179 1.579 1.00 0.00 C ATOM 0 H PHE A 114 9.150 -6.461 2.317 1.00 0.00 H new ATOM 0 HA PHE A 114 10.586 -5.726 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.849 -8.080 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.510 -7.954 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 114 10.637 -7.608 2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.622 -8.883 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 114 12.810 -8.484 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 114 13.794 -9.761 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.387 -9.561 1.935 1.00 0.00 H new ATOM 352 N CYS A 115 8.731 -5.145 -1.740 1.00 0.00 N ATOM 353 CA CYS A 115 7.639 -4.586 -2.585 1.00 0.00 C ATOM 354 C CYS A 115 6.756 -5.729 -3.090 1.00 0.00 C ATOM 355 O CYS A 115 7.232 -6.796 -3.424 1.00 0.00 O ATOM 356 CB CYS A 115 8.261 -3.833 -3.763 1.00 0.00 C ATOM 357 SG CYS A 115 6.970 -3.238 -4.879 1.00 0.00 S ATOM 0 H CYS A 115 9.652 -5.160 -2.178 1.00 0.00 H new ATOM 0 HA CYS A 115 7.025 -3.898 -2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.850 -2.992 -3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.944 -4.489 -4.303 1.00 0.00 H new ATOM 362 N ASP A 116 5.471 -5.516 -3.132 1.00 0.00 N ATOM 363 CA ASP A 116 4.547 -6.593 -3.597 1.00 0.00 C ATOM 364 C ASP A 116 4.271 -6.440 -5.093 1.00 0.00 C ATOM 365 O ASP A 116 3.814 -7.357 -5.746 1.00 0.00 O ATOM 366 CB ASP A 116 3.229 -6.500 -2.826 1.00 0.00 C ATOM 367 CG ASP A 116 2.770 -5.042 -2.773 1.00 0.00 C ATOM 368 OD1 ASP A 116 2.456 -4.501 -3.821 1.00 0.00 O ATOM 369 OD2 ASP A 116 2.740 -4.490 -1.685 1.00 0.00 O ATOM 0 H ASP A 116 5.018 -4.642 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 116 5.012 -7.562 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.469 -7.114 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.358 -6.889 -1.816 1.00 0.00 H new ATOM 374 N HIS A 117 4.538 -5.289 -5.641 1.00 0.00 N ATOM 375 CA HIS A 117 4.284 -5.080 -7.092 1.00 0.00 C ATOM 376 C HIS A 117 5.523 -5.486 -7.895 1.00 0.00 C ATOM 377 O HIS A 117 5.441 -5.773 -9.072 1.00 0.00 O ATOM 378 CB HIS A 117 3.976 -3.603 -7.346 1.00 0.00 C ATOM 379 CG HIS A 117 3.966 -3.338 -8.826 1.00 0.00 C ATOM 380 ND1 HIS A 117 4.973 -3.046 -9.713 1.00 0.00 N flip ATOM 381 CD2 HIS A 117 2.798 -3.359 -9.573 1.00 0.00 C flip ATOM 382 CE1 HIS A 117 4.441 -2.885 -10.989 1.00 0.00 C flip ATOM 383 NE2 HIS A 117 3.128 -3.084 -10.848 1.00 0.00 N flip ATOM 0 H HIS A 117 4.921 -4.483 -5.147 1.00 0.00 H new ATOM 0 HA HIS A 117 3.436 -5.690 -7.402 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.010 -3.343 -6.913 1.00 0.00 H new ATOM 0 HB3 HIS A 117 4.723 -2.976 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.805 -3.560 -9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.975 -2.650 -11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 117 2.457 -3.034 -11.614 1.00 0.00 H new ATOM 391 N CYS A 118 6.671 -5.519 -7.272 1.00 0.00 N ATOM 392 CA CYS A 118 7.902 -5.914 -8.014 1.00 0.00 C ATOM 393 C CYS A 118 8.710 -6.916 -7.183 1.00 0.00 C ATOM 394 O CYS A 118 9.774 -7.347 -7.578 1.00 0.00 O ATOM 395 CB CYS A 118 8.751 -4.672 -8.290 1.00 0.00 C ATOM 396 SG CYS A 118 9.260 -3.929 -6.722 1.00 0.00 S ATOM 0 H CYS A 118 6.809 -5.291 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 118 7.620 -6.379 -8.959 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.628 -4.941 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.181 -3.952 -8.878 1.00 0.00 H new ATOM 401 N GLY A 119 8.213 -7.292 -6.035 1.00 0.00 N ATOM 402 CA GLY A 119 8.954 -8.268 -5.185 1.00 0.00 C ATOM 403 C GLY A 119 10.407 -7.817 -5.024 1.00 0.00 C ATOM 404 O GLY A 119 11.329 -8.532 -5.361 1.00 0.00 O ATOM 0 H GLY A 119 7.327 -6.966 -5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.478 -8.348 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.919 -9.259 -5.638 1.00 0.00 H new ATOM 408 N SER A 120 10.618 -6.638 -4.509 1.00 0.00 N ATOM 409 CA SER A 120 12.013 -6.144 -4.324 1.00 0.00 C ATOM 410 C SER A 120 12.086 -5.256 -3.078 1.00 0.00 C ATOM 411 O SER A 120 11.346 -4.302 -2.941 1.00 0.00 O ATOM 412 CB SER A 120 12.434 -5.334 -5.551 1.00 0.00 C ATOM 413 OG SER A 120 11.865 -5.916 -6.716 1.00 0.00 O ATOM 0 H SER A 120 9.886 -5.995 -4.208 1.00 0.00 H new ATOM 0 HA SER A 120 12.683 -6.995 -4.200 1.00 0.00 H new ATOM 0 HB2 SER A 120 12.104 -4.300 -5.449 1.00 0.00 H new ATOM 0 HB3 SER A 120 13.521 -5.315 -5.633 1.00 0.00 H new ATOM 0 HG SER A 120 11.000 -5.495 -6.903 1.00 0.00 H new ATOM 419 N LEU A 121 12.972 -5.563 -2.169 1.00 0.00 N ATOM 420 CA LEU A 121 13.090 -4.735 -0.934 1.00 0.00 C ATOM 421 C LEU A 121 13.072 -3.250 -1.297 1.00 0.00 C ATOM 422 O LEU A 121 13.729 -2.814 -2.222 1.00 0.00 O ATOM 423 CB LEU A 121 14.398 -5.063 -0.213 1.00 0.00 C ATOM 424 CG LEU A 121 14.153 -6.177 0.806 1.00 0.00 C ATOM 425 CD1 LEU A 121 15.483 -6.843 1.163 1.00 0.00 C ATOM 426 CD2 LEU A 121 13.528 -5.577 2.069 1.00 0.00 C ATOM 0 H LEU A 121 13.618 -6.350 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 121 12.247 -4.957 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.155 -5.374 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 121 14.782 -4.175 0.289 1.00 0.00 H new ATOM 0 HG LEU A 121 13.478 -6.920 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 121 15.309 -7.637 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.931 -7.266 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 121 16.158 -6.102 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 121 13.351 -6.368 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 121 14.206 -4.836 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.582 -5.100 1.815 1.00 0.00 H new ATOM 438 N LEU A 122 12.323 -2.470 -0.568 1.00 0.00 N ATOM 439 CA LEU A 122 12.255 -1.010 -0.857 1.00 0.00 C ATOM 440 C LEU A 122 13.525 -0.329 -0.342 1.00 0.00 C ATOM 441 O LEU A 122 13.600 0.082 0.799 1.00 0.00 O ATOM 442 CB LEU A 122 11.036 -0.407 -0.156 1.00 0.00 C ATOM 443 CG LEU A 122 9.813 -1.290 -0.402 1.00 0.00 C ATOM 444 CD1 LEU A 122 8.854 -1.178 0.785 1.00 0.00 C ATOM 445 CD2 LEU A 122 9.101 -0.832 -1.676 1.00 0.00 C ATOM 0 H LEU A 122 11.753 -2.782 0.218 1.00 0.00 H new ATOM 0 HA LEU A 122 12.169 -0.857 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.225 -0.321 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.851 0.600 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 122 10.131 -2.326 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.982 -1.808 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.360 -1.504 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 122 8.536 -0.142 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.229 -1.462 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.783 0.205 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.783 -0.912 -2.523 1.00 0.00 H new ATOM 457 N TYR A 123 14.524 -0.207 -1.173 1.00 0.00 N ATOM 458 CA TYR A 123 15.785 0.449 -0.728 1.00 0.00 C ATOM 459 C TYR A 123 15.480 1.879 -0.279 1.00 0.00 C ATOM 460 O TYR A 123 14.388 2.183 0.159 1.00 0.00 O ATOM 461 CB TYR A 123 16.780 0.479 -1.890 1.00 0.00 C ATOM 462 CG TYR A 123 16.817 -0.874 -2.557 1.00 0.00 C ATOM 463 CD1 TYR A 123 17.108 -2.020 -1.804 1.00 0.00 C ATOM 464 CD2 TYR A 123 16.559 -0.987 -3.931 1.00 0.00 C ATOM 465 CE1 TYR A 123 17.143 -3.276 -2.422 1.00 0.00 C ATOM 466 CE2 TYR A 123 16.593 -2.244 -4.549 1.00 0.00 C ATOM 467 CZ TYR A 123 16.885 -3.388 -3.795 1.00 0.00 C ATOM 468 OH TYR A 123 16.918 -4.626 -4.405 1.00 0.00 O ATOM 0 H TYR A 123 14.521 -0.533 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 123 16.215 -0.110 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 123 16.490 1.244 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 123 17.773 0.744 -1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.305 -1.934 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.334 -0.105 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 123 17.369 -4.158 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 123 16.394 -2.331 -5.607 1.00 0.00 H new ATOM 0 HH TYR A 123 16.716 -4.526 -5.359 1.00 0.00 H new ATOM 478 N GLY A 124 16.433 2.762 -0.388 1.00 0.00 N ATOM 479 CA GLY A 124 16.192 4.172 0.031 1.00 0.00 C ATOM 480 C GLY A 124 15.218 4.834 -0.947 1.00 0.00 C ATOM 481 O GLY A 124 14.784 5.952 -0.744 1.00 0.00 O ATOM 0 H GLY A 124 17.367 2.569 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.784 4.198 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.133 4.722 0.053 1.00 0.00 H new ATOM 485 N LEU A 125 14.872 4.156 -2.007 1.00 0.00 N ATOM 486 CA LEU A 125 13.929 4.747 -2.997 1.00 0.00 C ATOM 487 C LEU A 125 12.692 5.285 -2.273 1.00 0.00 C ATOM 488 O LEU A 125 12.089 6.252 -2.693 1.00 0.00 O ATOM 489 CB LEU A 125 13.504 3.672 -4.000 1.00 0.00 C ATOM 490 CG LEU A 125 14.482 3.657 -5.176 1.00 0.00 C ATOM 491 CD1 LEU A 125 14.252 2.402 -6.018 1.00 0.00 C ATOM 492 CD2 LEU A 125 14.255 4.899 -6.041 1.00 0.00 C ATOM 0 H LEU A 125 15.202 3.217 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 125 14.423 5.563 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.485 2.695 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.493 3.871 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 125 15.504 3.657 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 125 14.950 2.393 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 125 14.412 1.517 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.230 2.400 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.951 4.890 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.232 4.898 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 125 14.420 5.795 -5.442 1.00 0.00 H new ATOM 504 N VAL A 126 12.307 4.669 -1.188 1.00 0.00 N ATOM 505 CA VAL A 126 11.108 5.153 -0.447 1.00 0.00 C ATOM 506 C VAL A 126 11.381 5.107 1.057 1.00 0.00 C ATOM 507 O VAL A 126 11.886 4.132 1.576 1.00 0.00 O ATOM 508 CB VAL A 126 9.911 4.258 -0.770 1.00 0.00 C ATOM 509 CG1 VAL A 126 9.640 4.287 -2.274 1.00 0.00 C ATOM 510 CG2 VAL A 126 10.216 2.824 -0.336 1.00 0.00 C ATOM 0 H VAL A 126 12.769 3.854 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 126 10.890 6.178 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 126 9.033 4.622 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.787 3.649 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.422 5.309 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.518 3.924 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.363 2.185 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.095 2.462 -0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 126 10.407 2.801 0.737 1.00 0.00 H new ATOM 520 N HIS A 127 11.046 6.152 1.763 1.00 0.00 N ATOM 521 CA HIS A 127 11.282 6.160 3.232 1.00 0.00 C ATOM 522 C HIS A 127 10.689 4.889 3.840 1.00 0.00 C ATOM 523 O HIS A 127 9.518 4.832 4.163 1.00 0.00 O ATOM 524 CB HIS A 127 10.610 7.386 3.853 1.00 0.00 C ATOM 525 CG HIS A 127 11.195 7.642 5.215 1.00 0.00 C ATOM 526 ND1 HIS A 127 10.403 7.880 6.327 1.00 0.00 N ATOM 527 CD2 HIS A 127 12.492 7.700 5.658 1.00 0.00 C ATOM 528 CE1 HIS A 127 11.224 8.068 7.376 1.00 0.00 C ATOM 529 NE2 HIS A 127 12.509 7.970 7.024 1.00 0.00 N ATOM 0 H HIS A 127 10.620 6.999 1.386 1.00 0.00 H new ATOM 0 HA HIS A 127 12.353 6.198 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 127 10.755 8.257 3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.535 7.224 3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 127 13.367 7.558 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 127 10.885 8.273 8.381 1.00 0.00 H new ATOM 0 HE2 HIS A 127 13.326 8.071 7.626 1.00 0.00 H new ATOM 537 N GLN A 128 11.486 3.867 3.991 1.00 0.00 N ATOM 538 CA GLN A 128 10.971 2.595 4.572 1.00 0.00 C ATOM 539 C GLN A 128 10.137 1.857 3.521 1.00 0.00 C ATOM 540 O GLN A 128 10.604 0.934 2.884 1.00 0.00 O ATOM 541 CB GLN A 128 10.106 2.902 5.796 1.00 0.00 C ATOM 542 CG GLN A 128 10.686 2.192 7.020 1.00 0.00 C ATOM 543 CD GLN A 128 12.161 2.565 7.177 1.00 0.00 C ATOM 544 OE1 GLN A 128 13.075 1.796 6.652 1.00 0.00 O flip ATOM 545 NE2 GLN A 128 12.485 3.567 7.783 1.00 0.00 N flip ATOM 0 H GLN A 128 12.474 3.858 3.737 1.00 0.00 H new ATOM 0 HA GLN A 128 11.809 1.967 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 128 10.070 3.978 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 128 9.081 2.573 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 128 10.131 2.476 7.914 1.00 0.00 H new ATOM 0 HG3 GLN A 128 10.583 1.112 6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 128 11.771 4.168 8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 128 13.471 3.807 7.881 1.00 0.00 H new ATOM 554 N GLY A 129 8.907 2.254 3.330 1.00 0.00 N ATOM 555 CA GLY A 129 8.054 1.569 2.317 1.00 0.00 C ATOM 556 C GLY A 129 6.637 2.145 2.362 1.00 0.00 C ATOM 557 O GLY A 129 6.176 2.603 3.389 1.00 0.00 O ATOM 0 H GLY A 129 8.458 3.021 3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.479 1.700 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.028 0.497 2.514 1.00 0.00 H new ATOM 561 N MET A 130 5.940 2.124 1.257 1.00 0.00 N ATOM 562 CA MET A 130 4.552 2.669 1.240 1.00 0.00 C ATOM 563 C MET A 130 3.569 1.549 1.586 1.00 0.00 C ATOM 564 O MET A 130 3.218 0.739 0.752 1.00 0.00 O ATOM 565 CB MET A 130 4.232 3.218 -0.153 1.00 0.00 C ATOM 566 CG MET A 130 5.510 3.755 -0.801 1.00 0.00 C ATOM 567 SD MET A 130 5.147 5.311 -1.651 1.00 0.00 S ATOM 568 CE MET A 130 5.067 6.358 -0.177 1.00 0.00 C ATOM 0 H MET A 130 6.272 1.753 0.367 1.00 0.00 H new ATOM 0 HA MET A 130 4.466 3.473 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 130 3.800 2.433 -0.774 1.00 0.00 H new ATOM 0 HB3 MET A 130 3.488 4.012 -0.080 1.00 0.00 H new ATOM 0 HG2 MET A 130 6.277 3.913 -0.042 1.00 0.00 H new ATOM 0 HG3 MET A 130 5.906 3.026 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 130 4.097 6.853 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 130 5.200 5.744 0.713 1.00 0.00 H new ATOM 0 HE3 MET A 130 5.856 7.109 -0.221 1.00 0.00 H new ATOM 578 N LYS A 131 3.124 1.491 2.811 1.00 0.00 N ATOM 579 CA LYS A 131 2.171 0.415 3.204 1.00 0.00 C ATOM 580 C LYS A 131 0.734 0.924 3.102 1.00 0.00 C ATOM 581 O LYS A 131 0.385 1.948 3.654 1.00 0.00 O ATOM 582 CB LYS A 131 2.454 -0.011 4.643 1.00 0.00 C ATOM 583 CG LYS A 131 1.733 -1.328 4.938 1.00 0.00 C ATOM 584 CD LYS A 131 2.163 -1.848 6.312 1.00 0.00 C ATOM 585 CE LYS A 131 1.626 -3.266 6.514 1.00 0.00 C ATOM 586 NZ LYS A 131 2.337 -3.907 7.656 1.00 0.00 N ATOM 0 H LYS A 131 3.378 2.140 3.555 1.00 0.00 H new ATOM 0 HA LYS A 131 2.298 -0.435 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.527 -0.130 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.119 0.762 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.654 -1.177 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.968 -2.064 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.250 -1.845 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.786 -1.190 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.554 -3.236 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.769 -3.853 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.973 -4.871 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.356 -3.948 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.179 -3.350 8.520 1.00 0.00 H new ATOM 600 N CYS A 132 -0.102 0.206 2.408 1.00 0.00 N ATOM 601 CA CYS A 132 -1.522 0.636 2.276 1.00 0.00 C ATOM 602 C CYS A 132 -2.198 0.547 3.645 1.00 0.00 C ATOM 603 O CYS A 132 -2.232 -0.497 4.264 1.00 0.00 O ATOM 604 CB CYS A 132 -2.241 -0.273 1.280 1.00 0.00 C ATOM 605 SG CYS A 132 -3.949 0.287 1.072 1.00 0.00 S ATOM 0 H CYS A 132 0.136 -0.661 1.926 1.00 0.00 H new ATOM 0 HA CYS A 132 -1.567 1.663 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -1.724 -0.260 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -2.226 -1.303 1.636 1.00 0.00 H new ATOM 610 N SER A 133 -2.726 1.637 4.126 1.00 0.00 N ATOM 611 CA SER A 133 -3.389 1.620 5.463 1.00 0.00 C ATOM 612 C SER A 133 -4.816 1.073 5.340 1.00 0.00 C ATOM 613 O SER A 133 -5.604 1.167 6.259 1.00 0.00 O ATOM 614 CB SER A 133 -3.439 3.043 6.020 1.00 0.00 C ATOM 615 OG SER A 133 -2.148 3.407 6.492 1.00 0.00 O ATOM 0 H SER A 133 -2.728 2.540 3.652 1.00 0.00 H new ATOM 0 HA SER A 133 -2.819 0.978 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.765 3.738 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 133 -4.166 3.104 6.830 1.00 0.00 H new ATOM 0 HG SER A 133 -2.175 4.319 6.848 1.00 0.00 H new ATOM 621 N CYS A 134 -5.156 0.508 4.215 1.00 0.00 N ATOM 622 CA CYS A 134 -6.535 -0.033 4.046 1.00 0.00 C ATOM 623 C CYS A 134 -6.486 -1.452 3.464 1.00 0.00 C ATOM 624 O CYS A 134 -7.470 -2.166 3.483 1.00 0.00 O ATOM 625 CB CYS A 134 -7.322 0.876 3.099 1.00 0.00 C ATOM 626 SG CYS A 134 -8.517 1.848 4.051 1.00 0.00 S ATOM 0 H CYS A 134 -4.542 0.397 3.408 1.00 0.00 H new ATOM 0 HA CYS A 134 -7.022 -0.068 5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -6.641 1.539 2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -7.839 0.277 2.349 1.00 0.00 H new ATOM 0 HG CYS A 134 -9.185 2.622 3.248 1.00 0.00 H new ATOM 632 N CYS A 135 -5.364 -1.871 2.941 1.00 0.00 N ATOM 633 CA CYS A 135 -5.291 -3.245 2.362 1.00 0.00 C ATOM 634 C CYS A 135 -3.941 -3.892 2.690 1.00 0.00 C ATOM 635 O CYS A 135 -3.640 -4.977 2.234 1.00 0.00 O ATOM 636 CB CYS A 135 -5.463 -3.166 0.843 1.00 0.00 C ATOM 637 SG CYS A 135 -4.019 -2.355 0.111 1.00 0.00 S ATOM 0 H CYS A 135 -4.502 -1.327 2.890 1.00 0.00 H new ATOM 0 HA CYS A 135 -6.086 -3.853 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -5.580 -4.167 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -6.368 -2.611 0.598 1.00 0.00 H new ATOM 642 N GLU A 136 -3.123 -3.242 3.475 1.00 0.00 N ATOM 643 CA GLU A 136 -1.800 -3.836 3.819 1.00 0.00 C ATOM 644 C GLU A 136 -1.034 -4.149 2.533 1.00 0.00 C ATOM 645 O GLU A 136 -0.863 -5.294 2.163 1.00 0.00 O ATOM 646 CB GLU A 136 -2.009 -5.128 4.613 1.00 0.00 C ATOM 647 CG GLU A 136 -2.469 -4.788 6.031 1.00 0.00 C ATOM 648 CD GLU A 136 -3.514 -5.809 6.486 1.00 0.00 C ATOM 649 OE1 GLU A 136 -4.625 -5.753 5.984 1.00 0.00 O ATOM 650 OE2 GLU A 136 -3.186 -6.628 7.327 1.00 0.00 O ATOM 0 H GLU A 136 -3.313 -2.330 3.891 1.00 0.00 H new ATOM 0 HA GLU A 136 -1.230 -3.128 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -2.752 -5.755 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -1.082 -5.700 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -1.618 -4.794 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -2.891 -3.783 6.057 1.00 0.00 H new ATOM 657 N MET A 137 -0.575 -3.141 1.847 1.00 0.00 N ATOM 658 CA MET A 137 0.176 -3.379 0.582 1.00 0.00 C ATOM 659 C MET A 137 1.440 -2.516 0.563 1.00 0.00 C ATOM 660 O MET A 137 1.382 -1.316 0.385 1.00 0.00 O ATOM 661 CB MET A 137 -0.709 -3.010 -0.611 1.00 0.00 C ATOM 662 CG MET A 137 -0.233 -3.762 -1.854 1.00 0.00 C ATOM 663 SD MET A 137 -1.063 -3.096 -3.317 1.00 0.00 S ATOM 664 CE MET A 137 -1.061 -4.620 -4.293 1.00 0.00 C ATOM 0 H MET A 137 -0.687 -2.161 2.107 1.00 0.00 H new ATOM 0 HA MET A 137 0.456 -4.431 0.520 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.748 -3.261 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.670 -1.935 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.847 -3.664 -1.960 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.448 -4.826 -1.753 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.536 -4.436 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.034 -4.949 -4.452 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.612 -5.395 -3.759 1.00 0.00 H new ATOM 674 N ASN A 138 2.584 -3.119 0.743 1.00 0.00 N ATOM 675 CA ASN A 138 3.849 -2.333 0.733 1.00 0.00 C ATOM 676 C ASN A 138 4.396 -2.267 -0.695 1.00 0.00 C ATOM 677 O ASN A 138 4.697 -3.276 -1.301 1.00 0.00 O ATOM 678 CB ASN A 138 4.878 -3.008 1.643 1.00 0.00 C ATOM 679 CG ASN A 138 4.675 -2.533 3.083 1.00 0.00 C ATOM 680 OD1 ASN A 138 3.950 -3.147 3.842 1.00 0.00 O ATOM 681 ND2 ASN A 138 5.287 -1.456 3.495 1.00 0.00 N ATOM 0 H ASN A 138 2.696 -4.121 0.896 1.00 0.00 H new ATOM 0 HA ASN A 138 3.652 -1.324 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 138 4.773 -4.091 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.887 -2.769 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 138 5.157 -1.130 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 138 5.895 -0.940 2.859 1.00 0.00 H new ATOM 688 N VAL A 139 4.524 -1.088 -1.237 1.00 0.00 N ATOM 689 CA VAL A 139 5.047 -0.959 -2.626 1.00 0.00 C ATOM 690 C VAL A 139 6.118 0.134 -2.671 1.00 0.00 C ATOM 691 O VAL A 139 6.381 0.802 -1.690 1.00 0.00 O ATOM 692 CB VAL A 139 3.901 -0.589 -3.569 1.00 0.00 C ATOM 693 CG1 VAL A 139 2.999 -1.807 -3.781 1.00 0.00 C ATOM 694 CG2 VAL A 139 3.082 0.548 -2.953 1.00 0.00 C ATOM 0 H VAL A 139 4.289 -0.208 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 139 5.484 -1.907 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 139 4.309 -0.268 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 139 2.183 -1.543 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 139 3.580 -2.619 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 139 2.591 -2.128 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.265 0.813 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.675 0.225 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.722 1.417 -2.801 1.00 0.00 H new ATOM 704 N HIS A 140 6.737 0.320 -3.806 1.00 0.00 N ATOM 705 CA HIS A 140 7.791 1.369 -3.922 1.00 0.00 C ATOM 706 C HIS A 140 7.136 2.730 -4.160 1.00 0.00 C ATOM 707 O HIS A 140 5.930 2.867 -4.116 1.00 0.00 O ATOM 708 CB HIS A 140 8.707 1.042 -5.103 1.00 0.00 C ATOM 709 CG HIS A 140 9.665 -0.050 -4.716 1.00 0.00 C ATOM 710 ND1 HIS A 140 9.533 -1.348 -5.184 1.00 0.00 N ATOM 711 CD2 HIS A 140 10.777 -0.052 -3.911 1.00 0.00 C ATOM 712 CE1 HIS A 140 10.542 -2.071 -4.662 1.00 0.00 C ATOM 713 NE2 HIS A 140 11.328 -1.329 -3.879 1.00 0.00 N ATOM 0 H HIS A 140 6.558 -0.210 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 140 8.373 1.398 -3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.112 0.729 -5.961 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.259 1.932 -5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.165 0.807 -3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.696 -3.123 -4.853 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.156 -1.633 -3.367 1.00 0.00 H new ATOM 720 N ARG A 141 7.925 3.736 -4.418 1.00 0.00 N ATOM 721 CA ARG A 141 7.362 5.085 -4.670 1.00 0.00 C ATOM 722 C ARG A 141 7.062 5.217 -6.165 1.00 0.00 C ATOM 723 O ARG A 141 6.215 5.985 -6.576 1.00 0.00 O ATOM 724 CB ARG A 141 8.391 6.135 -4.243 1.00 0.00 C ATOM 725 CG ARG A 141 7.959 7.519 -4.722 1.00 0.00 C ATOM 726 CD ARG A 141 7.061 8.166 -3.667 1.00 0.00 C ATOM 727 NE ARG A 141 6.033 9.007 -4.342 1.00 0.00 N ATOM 728 CZ ARG A 141 5.242 9.765 -3.634 1.00 0.00 C ATOM 729 NH1 ARG A 141 5.485 9.961 -2.366 1.00 0.00 N ATOM 730 NH2 ARG A 141 4.206 10.329 -4.194 1.00 0.00 N ATOM 0 H ARG A 141 8.942 3.677 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 141 6.443 5.232 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 141 8.495 6.133 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 141 9.368 5.887 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 141 8.834 8.143 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.425 7.438 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 141 6.579 7.397 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 141 7.658 8.776 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 141 5.948 8.990 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 141 6.294 9.521 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.866 10.554 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 141 4.016 10.177 -5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 141 3.587 10.922 -3.641 1.00 0.00 H new ATOM 744 N ARG A 142 7.750 4.463 -6.977 1.00 0.00 N ATOM 745 CA ARG A 142 7.512 4.531 -8.445 1.00 0.00 C ATOM 746 C ARG A 142 6.555 3.408 -8.856 1.00 0.00 C ATOM 747 O ARG A 142 6.071 3.369 -9.970 1.00 0.00 O ATOM 748 CB ARG A 142 8.843 4.364 -9.181 1.00 0.00 C ATOM 749 CG ARG A 142 8.587 4.196 -10.680 1.00 0.00 C ATOM 750 CD ARG A 142 9.924 4.067 -11.412 1.00 0.00 C ATOM 751 NE ARG A 142 9.678 3.829 -12.862 1.00 0.00 N ATOM 752 CZ ARG A 142 10.676 3.548 -13.656 1.00 0.00 C ATOM 753 NH1 ARG A 142 11.867 4.013 -13.395 1.00 0.00 N ATOM 754 NH2 ARG A 142 10.482 2.801 -14.708 1.00 0.00 N ATOM 0 H ARG A 142 8.469 3.801 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 142 7.073 5.495 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 142 9.478 5.233 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 142 9.377 3.496 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 142 7.975 3.312 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 142 8.031 5.051 -11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.513 4.974 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 142 10.503 3.245 -10.991 1.00 0.00 H new ATOM 0 HE ARG A 142 8.730 3.886 -13.235 1.00 0.00 H new ATOM 0 HH11 ARG A 142 12.018 4.595 -12.571 1.00 0.00 H new ATOM 0 HH12 ARG A 142 12.647 3.794 -14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 142 9.551 2.437 -14.910 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.261 2.581 -15.328 1.00 0.00 H new ATOM 768 N CYS A 143 6.279 2.494 -7.964 1.00 0.00 N ATOM 769 CA CYS A 143 5.354 1.377 -8.302 1.00 0.00 C ATOM 770 C CYS A 143 3.919 1.782 -7.958 1.00 0.00 C ATOM 771 O CYS A 143 2.967 1.198 -8.438 1.00 0.00 O ATOM 772 CB CYS A 143 5.738 0.133 -7.494 1.00 0.00 C ATOM 773 SG CYS A 143 7.362 -0.461 -8.029 1.00 0.00 S ATOM 0 H CYS A 143 6.655 2.474 -7.016 1.00 0.00 H new ATOM 0 HA CYS A 143 5.426 1.156 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 143 5.759 0.370 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 143 4.990 -0.648 -7.632 1.00 0.00 H new ATOM 778 N VAL A 144 3.755 2.777 -7.130 1.00 0.00 N ATOM 779 CA VAL A 144 2.382 3.219 -6.756 1.00 0.00 C ATOM 780 C VAL A 144 1.627 3.667 -8.010 1.00 0.00 C ATOM 781 O VAL A 144 0.472 3.343 -8.199 1.00 0.00 O ATOM 782 CB VAL A 144 2.472 4.385 -5.771 1.00 0.00 C ATOM 783 CG1 VAL A 144 1.076 4.715 -5.239 1.00 0.00 C ATOM 784 CG2 VAL A 144 3.382 3.997 -4.604 1.00 0.00 C ATOM 0 H VAL A 144 4.513 3.303 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 144 1.850 2.390 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 144 2.882 5.258 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 144 1.141 5.546 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 144 0.426 4.991 -6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.665 3.843 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 144 3.447 4.828 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 144 2.971 3.124 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 144 4.377 3.762 -4.981 1.00 0.00 H new ATOM 794 N ARG A 145 2.271 4.409 -8.868 1.00 0.00 N ATOM 795 CA ARG A 145 1.588 4.876 -10.108 1.00 0.00 C ATOM 796 C ARG A 145 1.385 3.691 -11.054 1.00 0.00 C ATOM 797 O ARG A 145 0.629 3.763 -12.002 1.00 0.00 O ATOM 798 CB ARG A 145 2.448 5.937 -10.798 1.00 0.00 C ATOM 799 CG ARG A 145 1.542 6.936 -11.521 1.00 0.00 C ATOM 800 CD ARG A 145 1.844 8.352 -11.025 1.00 0.00 C ATOM 801 NE ARG A 145 0.585 8.991 -10.549 1.00 0.00 N ATOM 802 CZ ARG A 145 -0.133 9.708 -11.369 1.00 0.00 C ATOM 803 NH1 ARG A 145 -0.816 9.126 -12.318 1.00 0.00 N ATOM 804 NH2 ARG A 145 -0.169 11.007 -11.243 1.00 0.00 N ATOM 0 H ARG A 145 3.239 4.712 -8.765 1.00 0.00 H new ATOM 0 HA ARG A 145 0.620 5.306 -9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 145 3.065 6.455 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 145 3.127 5.465 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 145 1.702 6.875 -12.598 1.00 0.00 H new ATOM 0 HG3 ARG A 145 0.495 6.691 -11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 145 2.575 8.318 -10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 145 2.284 8.944 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 145 0.284 8.868 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -0.788 8.111 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -1.378 9.686 -12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 145 0.365 11.463 -10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -0.731 11.566 -11.885 1.00 0.00 H new ATOM 818 N SER A 146 2.053 2.601 -10.802 1.00 0.00 N ATOM 819 CA SER A 146 1.898 1.411 -11.685 1.00 0.00 C ATOM 820 C SER A 146 0.907 0.431 -11.053 1.00 0.00 C ATOM 821 O SER A 146 0.554 -0.573 -11.639 1.00 0.00 O ATOM 822 CB SER A 146 3.253 0.723 -11.858 1.00 0.00 C ATOM 823 OG SER A 146 4.258 1.709 -12.052 1.00 0.00 O ATOM 0 H SER A 146 2.700 2.482 -10.023 1.00 0.00 H new ATOM 0 HA SER A 146 1.525 1.729 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 146 3.483 0.121 -10.979 1.00 0.00 H new ATOM 0 HB3 SER A 146 3.223 0.045 -12.711 1.00 0.00 H new ATOM 0 HG SER A 146 4.601 2.002 -11.182 1.00 0.00 H new ATOM 829 N VAL A 147 0.455 0.712 -9.860 1.00 0.00 N ATOM 830 CA VAL A 147 -0.512 -0.205 -9.196 1.00 0.00 C ATOM 831 C VAL A 147 -1.933 0.122 -9.669 1.00 0.00 C ATOM 832 O VAL A 147 -2.278 1.276 -9.827 1.00 0.00 O ATOM 833 CB VAL A 147 -0.432 -0.021 -7.679 1.00 0.00 C ATOM 834 CG1 VAL A 147 -1.427 -0.962 -6.997 1.00 0.00 C ATOM 835 CG2 VAL A 147 0.983 -0.346 -7.200 1.00 0.00 C ATOM 0 H VAL A 147 0.714 1.536 -9.318 1.00 0.00 H new ATOM 0 HA VAL A 147 -0.268 -1.236 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 147 -0.675 1.011 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -1.370 -0.831 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -2.437 -0.733 -7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -1.184 -1.994 -7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 147 1.040 -0.215 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.225 -1.378 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 147 1.694 0.323 -7.685 1.00 0.00 H new ATOM 845 N PRO A 148 -2.718 -0.905 -9.873 1.00 0.00 N ATOM 846 CA PRO A 148 -4.112 -0.757 -10.320 1.00 0.00 C ATOM 847 C PRO A 148 -5.000 -0.355 -9.139 1.00 0.00 C ATOM 848 O PRO A 148 -5.202 -1.119 -8.218 1.00 0.00 O ATOM 849 CB PRO A 148 -4.478 -2.153 -10.831 1.00 0.00 C ATOM 850 CG PRO A 148 -3.504 -3.138 -10.141 1.00 0.00 C ATOM 851 CD PRO A 148 -2.292 -2.307 -9.678 1.00 0.00 C ATOM 0 HA PRO A 148 -4.244 0.013 -11.081 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.513 -2.396 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.382 -2.207 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -3.984 -3.628 -9.294 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.195 -3.924 -10.830 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.047 -2.507 -8.635 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.403 -2.538 -10.265 1.00 0.00 H new ATOM 859 N SER A 149 -5.523 0.841 -9.158 1.00 0.00 N ATOM 860 CA SER A 149 -6.391 1.294 -8.034 1.00 0.00 C ATOM 861 C SER A 149 -7.339 0.163 -7.629 1.00 0.00 C ATOM 862 O SER A 149 -8.390 -0.018 -8.211 1.00 0.00 O ATOM 863 CB SER A 149 -7.207 2.509 -8.477 1.00 0.00 C ATOM 864 OG SER A 149 -7.518 2.386 -9.859 1.00 0.00 O ATOM 0 H SER A 149 -5.387 1.524 -9.903 1.00 0.00 H new ATOM 0 HA SER A 149 -5.767 1.566 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 149 -8.123 2.580 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 149 -6.643 3.425 -8.299 1.00 0.00 H new ATOM 0 HG SER A 149 -8.043 3.162 -10.147 1.00 0.00 H new ATOM 870 N LEU A 150 -6.973 -0.599 -6.637 1.00 0.00 N ATOM 871 CA LEU A 150 -7.848 -1.720 -6.192 1.00 0.00 C ATOM 872 C LEU A 150 -7.545 -2.050 -4.730 1.00 0.00 C ATOM 873 O LEU A 150 -6.903 -3.035 -4.426 1.00 0.00 O ATOM 874 CB LEU A 150 -7.580 -2.952 -7.060 1.00 0.00 C ATOM 875 CG LEU A 150 -8.908 -3.584 -7.478 1.00 0.00 C ATOM 876 CD1 LEU A 150 -9.444 -2.871 -8.721 1.00 0.00 C ATOM 877 CD2 LEU A 150 -8.688 -5.065 -7.795 1.00 0.00 C ATOM 0 H LEU A 150 -6.104 -0.494 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 150 -8.894 -1.428 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -7.006 -2.670 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.980 -3.675 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 150 -9.629 -3.488 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -10.391 -3.322 -9.019 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -9.599 -1.816 -8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.725 -2.967 -9.534 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -9.634 -5.518 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.968 -5.160 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -8.306 -5.574 -6.910 1.00 0.00 H new ATOM 889 N CYS A 151 -8.000 -1.232 -3.821 1.00 0.00 N ATOM 890 CA CYS A 151 -7.733 -1.498 -2.380 1.00 0.00 C ATOM 891 C CYS A 151 -8.713 -2.553 -1.864 1.00 0.00 C ATOM 892 O CYS A 151 -9.681 -2.243 -1.199 1.00 0.00 O ATOM 893 CB CYS A 151 -7.911 -0.203 -1.583 1.00 0.00 C ATOM 894 SG CYS A 151 -6.847 -0.246 -0.121 1.00 0.00 S ATOM 0 H CYS A 151 -8.545 -0.392 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 151 -6.713 -1.863 -2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 151 -7.660 0.657 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 151 -8.953 -0.087 -1.285 1.00 0.00 H new ATOM 899 N GLY A 152 -8.468 -3.799 -2.164 1.00 0.00 N ATOM 900 CA GLY A 152 -9.384 -4.876 -1.689 1.00 0.00 C ATOM 901 C GLY A 152 -10.753 -4.716 -2.353 1.00 0.00 C ATOM 902 O GLY A 152 -11.721 -5.334 -1.956 1.00 0.00 O ATOM 0 H GLY A 152 -7.673 -4.119 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -8.966 -5.854 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -9.487 -4.828 -0.605 1.00 0.00 H new ATOM 906 N VAL A 153 -10.842 -3.892 -3.361 1.00 0.00 N ATOM 907 CA VAL A 153 -12.149 -3.696 -4.048 1.00 0.00 C ATOM 908 C VAL A 153 -12.279 -4.697 -5.198 1.00 0.00 C ATOM 909 O VAL A 153 -11.593 -4.602 -6.196 1.00 0.00 O ATOM 910 CB VAL A 153 -12.226 -2.276 -4.600 1.00 0.00 C ATOM 911 CG1 VAL A 153 -13.545 -2.089 -5.354 1.00 0.00 C ATOM 912 CG2 VAL A 153 -12.153 -1.275 -3.445 1.00 0.00 C ATOM 0 H VAL A 153 -10.067 -3.347 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 153 -12.959 -3.854 -3.336 1.00 0.00 H new ATOM 0 HB VAL A 153 -11.392 -2.107 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 153 -13.598 -1.074 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 153 -13.597 -2.801 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 153 -14.380 -2.259 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 153 -12.208 -0.260 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 153 -12.986 -1.445 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 153 -11.213 -1.406 -2.909 1.00 0.00 H new ATOM 922 N ASP A 154 -13.153 -5.657 -5.067 1.00 0.00 N ATOM 923 CA ASP A 154 -13.323 -6.662 -6.153 1.00 0.00 C ATOM 924 C ASP A 154 -14.438 -7.640 -5.777 1.00 0.00 C ATOM 925 O ASP A 154 -15.322 -7.922 -6.562 1.00 0.00 O ATOM 926 CB ASP A 154 -12.015 -7.431 -6.347 1.00 0.00 C ATOM 927 CG ASP A 154 -11.574 -7.331 -7.808 1.00 0.00 C ATOM 928 OD1 ASP A 154 -11.790 -6.288 -8.401 1.00 0.00 O ATOM 929 OD2 ASP A 154 -11.029 -8.301 -8.310 1.00 0.00 O ATOM 0 H ASP A 154 -13.756 -5.788 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 154 -13.586 -6.152 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -11.242 -7.025 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -12.151 -8.476 -6.068 1.00 0.00 H new ATOM 934 N HIS A 155 -14.405 -8.162 -4.580 1.00 0.00 N ATOM 935 CA HIS A 155 -15.463 -9.122 -4.157 1.00 0.00 C ATOM 936 C HIS A 155 -15.431 -10.351 -5.067 1.00 0.00 C ATOM 937 O HIS A 155 -14.735 -11.312 -4.805 1.00 0.00 O ATOM 938 CB HIS A 155 -16.834 -8.449 -4.260 1.00 0.00 C ATOM 939 CG HIS A 155 -17.163 -7.778 -2.954 1.00 0.00 C ATOM 940 ND1 HIS A 155 -17.444 -8.499 -1.803 1.00 0.00 N ATOM 941 CD2 HIS A 155 -17.261 -6.456 -2.601 1.00 0.00 C ATOM 942 CE1 HIS A 155 -17.695 -7.614 -0.822 1.00 0.00 C ATOM 943 NE2 HIS A 155 -17.597 -6.354 -1.254 1.00 0.00 N ATOM 0 H HIS A 155 -13.692 -7.965 -3.878 1.00 0.00 H new ATOM 0 HA HIS A 155 -15.284 -9.428 -3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -16.832 -7.716 -5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -17.597 -9.189 -4.503 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -17.102 -5.621 -3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -17.945 -7.889 0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -17.738 -5.501 -0.713 1.00 0.00 H new ATOM 951 N THR A 156 -16.177 -10.328 -6.138 1.00 0.00 N ATOM 952 CA THR A 156 -16.187 -11.495 -7.065 1.00 0.00 C ATOM 953 C THR A 156 -16.327 -12.787 -6.257 1.00 0.00 C ATOM 954 O THR A 156 -15.355 -13.455 -5.963 1.00 0.00 O ATOM 955 CB THR A 156 -14.879 -11.528 -7.859 1.00 0.00 C ATOM 956 OG1 THR A 156 -13.780 -11.483 -6.959 1.00 0.00 O ATOM 957 CG2 THR A 156 -14.821 -10.323 -8.799 1.00 0.00 C ATOM 0 H THR A 156 -16.780 -9.552 -6.411 1.00 0.00 H new ATOM 0 HA THR A 156 -17.027 -11.405 -7.754 1.00 0.00 H new ATOM 0 HB THR A 156 -14.832 -12.446 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 156 -14.033 -11.908 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 156 -13.889 -10.347 -9.364 1.00 0.00 H new ATOM 0 HG22 THR A 156 -15.665 -10.358 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 156 -14.868 -9.404 -8.215 1.00 0.00 H new ATOM 965 N GLU A 157 -17.528 -13.147 -5.898 1.00 0.00 N ATOM 966 CA GLU A 157 -17.730 -14.395 -5.111 1.00 0.00 C ATOM 967 C GLU A 157 -18.374 -15.461 -6.001 1.00 0.00 C ATOM 968 O GLU A 157 -19.145 -15.157 -6.891 1.00 0.00 O ATOM 969 CB GLU A 157 -18.644 -14.106 -3.919 1.00 0.00 C ATOM 970 CG GLU A 157 -17.879 -13.290 -2.875 1.00 0.00 C ATOM 971 CD GLU A 157 -18.465 -13.559 -1.487 1.00 0.00 C ATOM 972 OE1 GLU A 157 -19.425 -12.895 -1.133 1.00 0.00 O ATOM 973 OE2 GLU A 157 -17.944 -14.424 -0.802 1.00 0.00 O ATOM 0 H GLU A 157 -18.380 -12.630 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 157 -16.767 -14.756 -4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -19.527 -13.558 -4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -18.994 -15.041 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -16.822 -13.556 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -17.944 -12.227 -3.109 1.00 0.00 H new ATOM 980 N ARG A 158 -18.065 -16.707 -5.769 1.00 0.00 N ATOM 981 CA ARG A 158 -18.661 -17.790 -6.601 1.00 0.00 C ATOM 982 C ARG A 158 -19.140 -18.925 -5.694 1.00 0.00 C ATOM 983 O ARG A 158 -20.321 -19.185 -5.579 1.00 0.00 O ATOM 984 CB ARG A 158 -17.609 -18.323 -7.574 1.00 0.00 C ATOM 985 CG ARG A 158 -16.949 -17.153 -8.307 1.00 0.00 C ATOM 986 CD ARG A 158 -16.692 -17.542 -9.763 1.00 0.00 C ATOM 987 NE ARG A 158 -17.087 -16.417 -10.656 1.00 0.00 N ATOM 988 CZ ARG A 158 -17.055 -16.569 -11.952 1.00 0.00 C ATOM 989 NH1 ARG A 158 -17.121 -17.764 -12.470 1.00 0.00 N ATOM 990 NH2 ARG A 158 -16.958 -15.525 -12.730 1.00 0.00 N ATOM 0 H ARG A 158 -17.426 -17.022 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 158 -19.507 -17.393 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -16.857 -18.898 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -18.072 -19.000 -8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -17.591 -16.274 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -16.011 -16.887 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -15.638 -17.781 -9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -17.259 -18.438 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 158 -17.383 -15.527 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -17.198 -18.580 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -17.096 -17.883 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.907 -14.590 -12.325 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -16.933 -15.644 -13.743 1.00 0.00 H new ATOM 1004 N ARG A 159 -18.231 -19.604 -5.049 1.00 0.00 N ATOM 1005 CA ARG A 159 -18.635 -20.722 -4.150 1.00 0.00 C ATOM 1006 C ARG A 159 -18.406 -20.313 -2.694 1.00 0.00 C ATOM 1007 O ARG A 159 -19.365 -20.314 -1.940 1.00 0.00 O ATOM 1008 CB ARG A 159 -17.797 -21.962 -4.470 1.00 0.00 C ATOM 1009 CG ARG A 159 -17.947 -22.312 -5.952 1.00 0.00 C ATOM 1010 CD ARG A 159 -16.579 -22.676 -6.532 1.00 0.00 C ATOM 1011 NE ARG A 159 -15.590 -21.622 -6.170 1.00 0.00 N ATOM 1012 CZ ARG A 159 -14.353 -21.949 -5.909 1.00 0.00 C ATOM 1013 NH1 ARG A 159 -13.620 -22.518 -6.827 1.00 0.00 N ATOM 1014 NH2 ARG A 159 -13.850 -21.708 -4.729 1.00 0.00 N ATOM 1015 OXT ARG A 159 -17.275 -20.006 -2.356 1.00 0.00 O ATOM 0 H ARG A 159 -17.227 -19.433 -5.106 1.00 0.00 H new ATOM 0 HA ARG A 159 -19.690 -20.948 -4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -16.749 -21.777 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -18.119 -22.801 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -18.638 -23.147 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -18.371 -21.467 -6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -16.254 -23.642 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -16.645 -22.771 -7.616 1.00 0.00 H new ATOM 0 HE ARG A 159 -15.879 -20.645 -6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -14.013 -22.707 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -12.654 -22.773 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -14.423 -21.264 -4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -12.884 -21.963 -4.525 1.00 0.00 H new TER 1029 ARG A 159 HETATM 1030 ZN ZN A 1 -4.721 -0.438 -0.965 1.00 0.00 ZN HETATM 1031 ZN ZN A 2 8.090 -1.967 -6.441 1.00 0.00 ZN