USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 353 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 LYS NZ :NH3+ -161:sc= -8.16! (180deg=-1.39!) USER MOD Set 1.2: A 17 ASN : amide:sc= -7.91! C(o=-16!,f=-16!) USER MOD Single : A 1 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.6!) USER MOD Single : A 1 ASN N :NH3+ 174:sc= -0.0957 (180deg=-0.263) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -156:sc= -0.355 (180deg=-1.76!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 23 SER OG : rot -161:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= -5.58! C(o=-5.6!,f=-4.9!) USER MOD Single : A 31 ASN : amide:sc= -4.2! C(o=-4.2!,f=-10!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -127:sc= -0.516 (180deg=-5.42!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -9.462 26.055 -5.857 1.00 0.00 N ATOM 2 CA ASN A 1 -10.863 26.431 -5.523 1.00 0.00 C ATOM 3 C ASN A 1 -11.821 25.424 -6.162 1.00 0.00 C ATOM 4 O ASN A 1 -12.994 25.692 -6.337 1.00 0.00 O ATOM 5 CB ASN A 1 -11.156 27.832 -6.063 1.00 0.00 C ATOM 6 CG ASN A 1 -12.420 28.380 -5.401 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.852 27.877 -4.382 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.035 29.396 -5.939 1.00 0.00 N ATOM 0 H1 ASN A 1 -8.813 26.791 -5.512 1.00 0.00 H new ATOM 0 H2 ASN A 1 -9.229 25.148 -5.405 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.364 25.963 -6.888 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.997 26.426 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.313 28.493 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.285 27.797 -7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -13.879 29.769 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.672 29.818 -6.794 1.00 0.00 H new ATOM 14 N ASP A 2 -11.331 24.266 -6.513 1.00 0.00 N ATOM 15 CA ASP A 2 -12.210 23.242 -7.142 1.00 0.00 C ATOM 16 C ASP A 2 -13.056 22.560 -6.069 1.00 0.00 C ATOM 17 O ASP A 2 -12.558 22.111 -5.058 1.00 0.00 O ATOM 18 CB ASP A 2 -11.354 22.199 -7.861 1.00 0.00 C ATOM 19 CG ASP A 2 -12.265 21.216 -8.601 1.00 0.00 C ATOM 20 OD1 ASP A 2 -13.465 21.436 -8.602 1.00 0.00 O ATOM 21 OD2 ASP A 2 -11.747 20.260 -9.154 1.00 0.00 O ATOM 0 H ASP A 2 -10.358 23.985 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.867 23.728 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.680 22.688 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.732 21.665 -7.143 1.00 0.00 H new ATOM 26 N ILE A 3 -14.339 22.486 -6.283 1.00 0.00 N ATOM 27 CA ILE A 3 -15.232 21.840 -5.280 1.00 0.00 C ATOM 28 C ILE A 3 -15.058 20.320 -5.325 1.00 0.00 C ATOM 29 O ILE A 3 -15.631 19.600 -4.531 1.00 0.00 O ATOM 30 CB ILE A 3 -16.683 22.194 -5.598 1.00 0.00 C ATOM 31 CG1 ILE A 3 -16.852 23.713 -5.576 1.00 0.00 C ATOM 32 CG2 ILE A 3 -17.602 21.563 -4.550 1.00 0.00 C ATOM 33 CD1 ILE A 3 -18.244 24.081 -6.090 1.00 0.00 C ATOM 0 H ILE A 3 -14.810 22.846 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 3 -14.972 22.199 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.943 21.814 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -16.716 24.090 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -16.088 24.183 -6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.638 21.815 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.480 20.480 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -17.343 21.944 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.363 25.164 -6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.363 23.718 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -19.000 23.623 -5.452 1.00 0.00 H new ATOM 45 N ARG A 4 -14.273 19.824 -6.242 1.00 0.00 N ATOM 46 CA ARG A 4 -14.071 18.348 -6.322 1.00 0.00 C ATOM 47 C ARG A 4 -13.117 17.913 -5.213 1.00 0.00 C ATOM 48 O ARG A 4 -12.763 16.757 -5.097 1.00 0.00 O ATOM 49 CB ARG A 4 -13.480 17.977 -7.685 1.00 0.00 C ATOM 50 CG ARG A 4 -14.473 18.345 -8.788 1.00 0.00 C ATOM 51 CD ARG A 4 -13.937 17.869 -10.140 1.00 0.00 C ATOM 52 NE ARG A 4 -14.739 18.486 -11.234 1.00 0.00 N ATOM 53 CZ ARG A 4 -14.441 18.243 -12.482 1.00 0.00 C ATOM 54 NH1 ARG A 4 -13.446 17.451 -12.773 1.00 0.00 N ATOM 55 NH2 ARG A 4 -15.138 18.796 -13.435 1.00 0.00 N ATOM 0 H ARG A 4 -13.765 20.373 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.029 17.842 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.537 18.502 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.260 16.910 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -15.441 17.887 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.629 19.424 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.887 18.143 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.991 16.782 -10.203 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.522 19.099 -11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.901 17.021 -12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.213 17.261 -13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.914 19.417 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.907 18.608 -14.411 1.00 0.00 H new ATOM 69 N THR A 5 -12.701 18.836 -4.392 1.00 0.00 N ATOM 70 CA THR A 5 -11.775 18.485 -3.284 1.00 0.00 C ATOM 71 C THR A 5 -12.560 17.768 -2.187 1.00 0.00 C ATOM 72 O THR A 5 -12.039 17.467 -1.129 1.00 0.00 O ATOM 73 CB THR A 5 -11.159 19.764 -2.714 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.903 19.461 -2.126 1.00 0.00 O ATOM 75 CG2 THR A 5 -12.096 20.348 -1.656 1.00 0.00 C ATOM 0 H THR A 5 -12.964 19.820 -4.442 1.00 0.00 H new ATOM 0 HA THR A 5 -10.983 17.835 -3.656 1.00 0.00 H new ATOM 0 HB THR A 5 -11.017 20.491 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.506 20.280 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.660 21.260 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.060 20.578 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.237 19.623 -0.855 1.00 0.00 H new ATOM 83 N ALA A 6 -13.811 17.496 -2.432 1.00 0.00 N ATOM 84 CA ALA A 6 -14.641 16.799 -1.410 1.00 0.00 C ATOM 85 C ALA A 6 -14.263 15.316 -1.364 1.00 0.00 C ATOM 86 O ALA A 6 -14.744 14.569 -0.535 1.00 0.00 O ATOM 87 CB ALA A 6 -16.120 16.940 -1.779 1.00 0.00 C ATOM 0 H ALA A 6 -14.296 17.727 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.464 17.245 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -16.731 16.431 -1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.388 17.996 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -16.295 16.493 -2.758 1.00 0.00 H new ATOM 93 N ALA A 7 -13.405 14.884 -2.248 1.00 0.00 N ATOM 94 CA ALA A 7 -12.998 13.451 -2.250 1.00 0.00 C ATOM 95 C ALA A 7 -12.227 13.129 -0.969 1.00 0.00 C ATOM 96 O ALA A 7 -11.474 13.941 -0.467 1.00 0.00 O ATOM 97 CB ALA A 7 -12.103 13.171 -3.458 1.00 0.00 C ATOM 0 H ALA A 7 -12.969 15.461 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.891 12.829 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.807 12.122 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.649 13.392 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.214 13.799 -3.405 1.00 0.00 H new ATOM 103 N ASP A 8 -12.401 11.949 -0.447 1.00 0.00 N ATOM 104 CA ASP A 8 -11.668 11.560 0.792 1.00 0.00 C ATOM 105 C ASP A 8 -10.666 10.464 0.441 1.00 0.00 C ATOM 106 O ASP A 8 -10.132 9.791 1.299 1.00 0.00 O ATOM 107 CB ASP A 8 -12.661 11.044 1.834 1.00 0.00 C ATOM 108 CG ASP A 8 -13.322 9.758 1.329 1.00 0.00 C ATOM 109 OD1 ASP A 8 -12.802 9.174 0.393 1.00 0.00 O ATOM 110 OD2 ASP A 8 -14.339 9.383 1.888 1.00 0.00 O ATOM 0 H ASP A 8 -13.021 11.233 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.143 12.422 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.147 10.854 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.420 11.800 2.032 1.00 0.00 H new ATOM 115 N MET A 9 -10.424 10.274 -0.827 1.00 0.00 N ATOM 116 CA MET A 9 -9.473 9.216 -1.265 1.00 0.00 C ATOM 117 C MET A 9 -8.059 9.555 -0.800 1.00 0.00 C ATOM 118 O MET A 9 -7.093 8.962 -1.240 1.00 0.00 O ATOM 119 CB MET A 9 -9.504 9.108 -2.792 1.00 0.00 C ATOM 120 CG MET A 9 -10.864 8.567 -3.250 1.00 0.00 C ATOM 121 SD MET A 9 -11.255 7.048 -2.344 1.00 0.00 S ATOM 122 CE MET A 9 -9.704 6.175 -2.674 1.00 0.00 C ATOM 0 H MET A 9 -10.848 10.811 -1.583 1.00 0.00 H new ATOM 0 HA MET A 9 -9.768 8.263 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.323 10.086 -3.238 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.707 8.449 -3.135 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.639 9.314 -3.079 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.845 8.368 -4.321 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.867 5.100 -2.592 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.359 6.414 -3.680 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.951 6.485 -1.949 1.00 0.00 H new ATOM 132 N GLU A 10 -7.926 10.490 0.093 1.00 0.00 N ATOM 133 CA GLU A 10 -6.571 10.844 0.591 1.00 0.00 C ATOM 134 C GLU A 10 -6.168 9.848 1.676 1.00 0.00 C ATOM 135 O GLU A 10 -5.021 9.767 2.066 1.00 0.00 O ATOM 136 CB GLU A 10 -6.589 12.257 1.170 1.00 0.00 C ATOM 137 CG GLU A 10 -5.166 12.670 1.555 1.00 0.00 C ATOM 138 CD GLU A 10 -5.186 14.075 2.156 1.00 0.00 C ATOM 139 OE1 GLU A 10 -6.257 14.654 2.226 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.127 14.551 2.535 1.00 0.00 O ATOM 0 H GLU A 10 -8.694 11.024 0.499 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.854 10.806 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.997 12.956 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.239 12.295 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.753 11.962 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.520 12.648 0.677 1.00 0.00 H new ATOM 147 N HIS A 11 -7.105 9.083 2.162 1.00 0.00 N ATOM 148 CA HIS A 11 -6.778 8.093 3.218 1.00 0.00 C ATOM 149 C HIS A 11 -6.727 6.700 2.598 1.00 0.00 C ATOM 150 O HIS A 11 -7.680 6.235 2.004 1.00 0.00 O ATOM 151 CB HIS A 11 -7.860 8.123 4.299 1.00 0.00 C ATOM 152 CG HIS A 11 -7.906 9.489 4.927 1.00 0.00 C ATOM 153 ND1 HIS A 11 -8.717 10.501 4.434 1.00 0.00 N ATOM 154 CD2 HIS A 11 -7.250 10.028 6.008 1.00 0.00 C ATOM 155 CE1 HIS A 11 -8.531 11.585 5.209 1.00 0.00 C ATOM 156 NE2 HIS A 11 -7.648 11.348 6.181 1.00 0.00 N ATOM 0 H HIS A 11 -8.083 9.103 1.872 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.813 8.337 3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.829 7.878 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -7.651 7.369 5.058 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -6.536 9.506 6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -9.034 12.530 5.063 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -7.332 11.999 6.900 1.00 0.00 H new ATOM 165 N CYS A 12 -5.626 6.027 2.744 1.00 0.00 N ATOM 166 CA CYS A 12 -5.512 4.658 2.179 1.00 0.00 C ATOM 167 C CYS A 12 -5.475 3.668 3.337 1.00 0.00 C ATOM 168 O CYS A 12 -5.128 4.018 4.447 1.00 0.00 O ATOM 169 CB CYS A 12 -4.224 4.535 1.366 1.00 0.00 C ATOM 170 SG CYS A 12 -3.946 6.057 0.427 1.00 0.00 S ATOM 0 H CYS A 12 -4.797 6.366 3.232 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.360 4.452 1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.380 4.347 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.291 3.685 0.687 1.00 0.00 H new ATOM 175 N ALA A 13 -5.830 2.439 3.102 1.00 0.00 N ATOM 176 CA ALA A 13 -5.810 1.448 4.209 1.00 0.00 C ATOM 177 C ALA A 13 -5.195 0.138 3.713 1.00 0.00 C ATOM 178 O ALA A 13 -5.304 -0.212 2.555 1.00 0.00 O ATOM 179 CB ALA A 13 -7.238 1.201 4.694 1.00 0.00 C ATOM 0 H ALA A 13 -6.132 2.079 2.197 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.211 1.833 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.226 0.474 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.668 2.137 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.840 0.816 3.871 1.00 0.00 H new ATOM 185 N ASP A 14 -4.552 -0.590 4.585 1.00 0.00 N ATOM 186 CA ASP A 14 -3.934 -1.878 4.171 1.00 0.00 C ATOM 187 C ASP A 14 -5.033 -2.863 3.770 1.00 0.00 C ATOM 188 O ASP A 14 -6.092 -2.904 4.368 1.00 0.00 O ATOM 189 CB ASP A 14 -3.122 -2.450 5.336 1.00 0.00 C ATOM 190 CG ASP A 14 -4.032 -2.641 6.552 1.00 0.00 C ATOM 191 OD1 ASP A 14 -5.227 -2.442 6.410 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.517 -2.976 7.605 1.00 0.00 O ATOM 0 H ASP A 14 -4.429 -0.346 5.568 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.273 -1.712 3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.677 -3.403 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.301 -1.777 5.585 1.00 0.00 H new ATOM 197 N GLU A 15 -4.798 -3.653 2.759 1.00 0.00 N ATOM 198 CA GLU A 15 -5.838 -4.627 2.324 1.00 0.00 C ATOM 199 C GLU A 15 -6.041 -5.674 3.417 1.00 0.00 C ATOM 200 O GLU A 15 -5.098 -6.157 4.012 1.00 0.00 O ATOM 201 CB GLU A 15 -5.383 -5.327 1.039 1.00 0.00 C ATOM 202 CG GLU A 15 -6.371 -5.047 -0.102 1.00 0.00 C ATOM 203 CD GLU A 15 -6.853 -6.370 -0.702 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.097 -7.327 -0.665 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.970 -6.404 -1.189 1.00 0.00 O ATOM 0 H GLU A 15 -3.934 -3.666 2.217 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.773 -4.097 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.388 -4.979 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.309 -6.401 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.220 -4.475 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.892 -4.441 -0.871 1.00 0.00 H new ATOM 212 N LYS A 16 -7.267 -6.034 3.682 1.00 0.00 N ATOM 213 CA LYS A 16 -7.531 -7.056 4.733 1.00 0.00 C ATOM 214 C LYS A 16 -7.415 -8.452 4.119 1.00 0.00 C ATOM 215 O LYS A 16 -7.208 -9.430 4.809 1.00 0.00 O ATOM 216 CB LYS A 16 -8.939 -6.854 5.293 1.00 0.00 C ATOM 217 CG LYS A 16 -9.979 -7.242 4.240 1.00 0.00 C ATOM 218 CD LYS A 16 -11.374 -6.880 4.751 1.00 0.00 C ATOM 219 CE LYS A 16 -12.434 -7.592 3.906 1.00 0.00 C ATOM 220 NZ LYS A 16 -11.827 -8.045 2.623 1.00 0.00 N ATOM 0 H LYS A 16 -8.096 -5.665 3.217 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.804 -6.953 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.073 -7.459 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.077 -5.813 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.776 -6.723 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.921 -8.310 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.475 -7.169 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.521 -5.801 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.836 -8.446 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.268 -6.919 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.579 -8.230 1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.194 -7.305 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.284 -8.917 2.785 1.00 0.00 H new ATOM 234 N ASN A 17 -7.545 -8.551 2.822 1.00 0.00 N ATOM 235 CA ASN A 17 -7.441 -9.882 2.161 1.00 0.00 C ATOM 236 C ASN A 17 -5.985 -10.148 1.777 1.00 0.00 C ATOM 237 O ASN A 17 -5.625 -11.240 1.386 1.00 0.00 O ATOM 238 CB ASN A 17 -8.304 -9.888 0.900 1.00 0.00 C ATOM 239 CG ASN A 17 -9.751 -9.573 1.277 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.372 -10.312 2.015 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.314 -8.495 0.805 1.00 0.00 N ATOM 0 H ASN A 17 -7.719 -7.767 2.193 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.785 -10.657 2.846 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.933 -9.151 0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.247 -10.860 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.277 -8.271 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.791 -7.876 0.186 1.00 0.00 H new ATOM 248 N PHE A 18 -5.147 -9.155 1.886 1.00 0.00 N ATOM 249 CA PHE A 18 -3.715 -9.347 1.527 1.00 0.00 C ATOM 250 C PHE A 18 -2.871 -9.281 2.799 1.00 0.00 C ATOM 251 O PHE A 18 -3.068 -8.423 3.639 1.00 0.00 O ATOM 252 CB PHE A 18 -3.284 -8.242 0.562 1.00 0.00 C ATOM 253 CG PHE A 18 -1.925 -8.567 -0.004 1.00 0.00 C ATOM 254 CD1 PHE A 18 -1.816 -9.387 -1.133 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.772 -8.047 0.597 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.555 -9.687 -1.662 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.489 -8.346 0.068 1.00 0.00 C ATOM 258 CZ PHE A 18 0.598 -9.166 -1.061 1.00 0.00 C ATOM 0 H PHE A 18 -5.392 -8.219 2.208 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.577 -10.316 1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.011 -8.145 -0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.254 -7.284 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.705 -9.789 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.856 -7.415 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.471 -10.320 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.378 -7.944 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.571 -9.397 -1.469 1.00 0.00 H new ATOM 268 N ASP A 19 -1.937 -10.178 2.960 1.00 0.00 N ATOM 269 CA ASP A 19 -1.099 -10.155 4.190 1.00 0.00 C ATOM 270 C ASP A 19 0.000 -9.107 4.036 1.00 0.00 C ATOM 271 O ASP A 19 1.113 -9.405 3.649 1.00 0.00 O ATOM 272 CB ASP A 19 -0.470 -11.530 4.413 1.00 0.00 C ATOM 273 CG ASP A 19 -1.575 -12.575 4.566 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.708 -12.181 4.777 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.269 -13.751 4.466 1.00 0.00 O ATOM 0 H ASP A 19 -1.719 -10.922 2.297 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.723 -9.904 5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.175 -11.787 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.157 -11.515 5.304 1.00 0.00 H new ATOM 280 N CYS A 20 -0.305 -7.878 4.341 1.00 0.00 N ATOM 281 CA CYS A 20 0.714 -6.803 4.221 1.00 0.00 C ATOM 282 C CYS A 20 1.816 -7.042 5.250 1.00 0.00 C ATOM 283 O CYS A 20 2.974 -6.753 5.021 1.00 0.00 O ATOM 284 CB CYS A 20 0.041 -5.458 4.483 1.00 0.00 C ATOM 285 SG CYS A 20 -1.446 -5.336 3.461 1.00 0.00 S ATOM 0 H CYS A 20 -1.221 -7.571 4.670 1.00 0.00 H new ATOM 0 HA CYS A 20 1.150 -6.804 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.218 -5.366 5.538 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.726 -4.642 4.250 1.00 0.00 H new ATOM 290 N ARG A 21 1.459 -7.579 6.384 1.00 0.00 N ATOM 291 CA ARG A 21 2.474 -7.852 7.435 1.00 0.00 C ATOM 292 C ARG A 21 3.494 -8.850 6.885 1.00 0.00 C ATOM 293 O ARG A 21 4.690 -8.656 6.982 1.00 0.00 O ATOM 294 CB ARG A 21 1.763 -8.457 8.647 1.00 0.00 C ATOM 295 CG ARG A 21 2.645 -8.339 9.894 1.00 0.00 C ATOM 296 CD ARG A 21 3.831 -9.297 9.786 1.00 0.00 C ATOM 297 NE ARG A 21 4.464 -9.460 11.124 1.00 0.00 N ATOM 298 CZ ARG A 21 5.023 -10.594 11.450 1.00 0.00 C ATOM 299 NH1 ARG A 21 5.004 -11.597 10.613 1.00 0.00 N ATOM 300 NH2 ARG A 21 5.602 -10.725 12.612 1.00 0.00 N ATOM 0 H ARG A 21 0.504 -7.841 6.627 1.00 0.00 H new ATOM 0 HA ARG A 21 2.984 -6.934 7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.815 -7.945 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.531 -9.505 8.455 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.002 -7.315 10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.061 -8.568 10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.497 -10.264 9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.559 -8.912 9.072 1.00 0.00 H new ATOM 0 HE ARG A 21 4.461 -8.685 11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.552 -11.494 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.441 -12.483 10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.618 -9.942 13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.039 -11.611 12.867 1.00 0.00 H new ATOM 314 N ARG A 22 3.024 -9.915 6.296 1.00 0.00 N ATOM 315 CA ARG A 22 3.948 -10.932 5.730 1.00 0.00 C ATOM 316 C ARG A 22 4.713 -10.338 4.550 1.00 0.00 C ATOM 317 O ARG A 22 5.913 -10.472 4.437 1.00 0.00 O ATOM 318 CB ARG A 22 3.132 -12.133 5.260 1.00 0.00 C ATOM 319 CG ARG A 22 3.843 -12.808 4.093 1.00 0.00 C ATOM 320 CD ARG A 22 3.212 -14.174 3.837 1.00 0.00 C ATOM 321 NE ARG A 22 3.897 -14.826 2.689 1.00 0.00 N ATOM 322 CZ ARG A 22 3.243 -15.648 1.918 1.00 0.00 C ATOM 323 NH1 ARG A 22 1.987 -15.909 2.156 1.00 0.00 N ATOM 324 NH2 ARG A 22 3.849 -16.212 0.910 1.00 0.00 N ATOM 0 H ARG A 22 2.032 -10.124 6.183 1.00 0.00 H new ATOM 0 HA ARG A 22 4.662 -11.244 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.003 -12.841 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.136 -11.812 4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.769 -12.188 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.904 -12.921 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.295 -14.798 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.149 -14.062 3.625 1.00 0.00 H new ATOM 0 HE ARG A 22 4.881 -14.629 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.516 -15.469 2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.476 -16.553 1.552 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.832 -16.009 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.340 -16.856 0.304 1.00 0.00 H new ATOM 338 N SER A 23 4.024 -9.680 3.666 1.00 0.00 N ATOM 339 CA SER A 23 4.712 -9.074 2.501 1.00 0.00 C ATOM 340 C SER A 23 5.685 -7.996 2.995 1.00 0.00 C ATOM 341 O SER A 23 6.763 -7.831 2.462 1.00 0.00 O ATOM 342 CB SER A 23 3.668 -8.465 1.564 1.00 0.00 C ATOM 343 OG SER A 23 2.912 -9.512 0.968 1.00 0.00 O ATOM 0 H SER A 23 3.015 -9.536 3.700 1.00 0.00 H new ATOM 0 HA SER A 23 5.274 -9.833 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.011 -7.795 2.118 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.156 -7.868 0.794 1.00 0.00 H new ATOM 0 HG SER A 23 2.469 -9.177 0.161 1.00 0.00 H new ATOM 349 N LEU A 24 5.314 -7.265 4.014 1.00 0.00 N ATOM 350 CA LEU A 24 6.220 -6.202 4.540 1.00 0.00 C ATOM 351 C LEU A 24 7.513 -6.824 5.075 1.00 0.00 C ATOM 352 O LEU A 24 8.600 -6.402 4.738 1.00 0.00 O ATOM 353 CB LEU A 24 5.520 -5.451 5.675 1.00 0.00 C ATOM 354 CG LEU A 24 6.464 -4.390 6.249 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.613 -3.240 5.254 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.889 -3.853 7.561 1.00 0.00 C ATOM 0 H LEU A 24 4.424 -7.358 4.504 1.00 0.00 H new ATOM 0 HA LEU A 24 6.461 -5.514 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.609 -4.980 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.223 -6.149 6.457 1.00 0.00 H new ATOM 0 HG LEU A 24 7.440 -4.839 6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.285 -2.487 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.023 -3.619 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.637 -2.792 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.560 -3.098 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.912 -3.407 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.785 -4.671 8.274 1.00 0.00 H new ATOM 368 N ARG A 25 7.407 -7.825 5.909 1.00 0.00 N ATOM 369 CA ARG A 25 8.639 -8.460 6.456 1.00 0.00 C ATOM 370 C ARG A 25 9.390 -9.139 5.316 1.00 0.00 C ATOM 371 O ARG A 25 10.578 -9.379 5.392 1.00 0.00 O ATOM 372 CB ARG A 25 8.269 -9.493 7.522 1.00 0.00 C ATOM 373 CG ARG A 25 7.433 -10.602 6.885 1.00 0.00 C ATOM 374 CD ARG A 25 6.965 -11.582 7.962 1.00 0.00 C ATOM 375 NE ARG A 25 6.254 -12.721 7.315 1.00 0.00 N ATOM 376 CZ ARG A 25 5.788 -13.698 8.042 1.00 0.00 C ATOM 377 NH1 ARG A 25 5.948 -13.685 9.336 1.00 0.00 N ATOM 378 NH2 ARG A 25 5.153 -14.688 7.474 1.00 0.00 N ATOM 0 H ARG A 25 6.527 -8.227 6.232 1.00 0.00 H new ATOM 0 HA ARG A 25 9.270 -7.699 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.172 -9.912 7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.709 -9.017 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.572 -10.172 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.022 -11.128 6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.818 -11.948 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.303 -11.078 8.666 1.00 0.00 H new ATOM 0 HE ARG A 25 6.132 -12.736 6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.438 -12.910 9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.583 -14.450 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.022 -14.696 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.788 -15.453 8.042 1.00 0.00 H new ATOM 392 N ASN A 26 8.699 -9.446 4.256 1.00 0.00 N ATOM 393 CA ASN A 26 9.359 -10.106 3.100 1.00 0.00 C ATOM 394 C ASN A 26 10.094 -9.055 2.273 1.00 0.00 C ATOM 395 O ASN A 26 10.746 -9.361 1.293 1.00 0.00 O ATOM 396 CB ASN A 26 8.292 -10.773 2.235 1.00 0.00 C ATOM 397 CG ASN A 26 7.618 -11.897 3.023 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.152 -12.368 4.005 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.456 -12.344 2.634 1.00 0.00 N ATOM 0 H ASN A 26 7.701 -9.267 4.141 1.00 0.00 H new ATOM 0 HA ASN A 26 10.069 -10.853 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.550 -10.038 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.744 -11.173 1.327 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.996 -13.090 3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.007 -11.948 1.808 1.00 0.00 H new ATOM 406 N GLY A 27 9.992 -7.813 2.659 1.00 0.00 N ATOM 407 CA GLY A 27 10.680 -6.736 1.896 1.00 0.00 C ATOM 408 C GLY A 27 9.841 -6.379 0.668 1.00 0.00 C ATOM 409 O GLY A 27 10.334 -5.830 -0.295 1.00 0.00 O ATOM 0 H GLY A 27 9.461 -7.498 3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.817 -5.857 2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.673 -7.067 1.590 1.00 0.00 H new ATOM 413 N ASP A 28 8.574 -6.689 0.699 1.00 0.00 N ATOM 414 CA ASP A 28 7.701 -6.373 -0.461 1.00 0.00 C ATOM 415 C ASP A 28 7.742 -4.868 -0.729 1.00 0.00 C ATOM 416 O ASP A 28 7.771 -4.429 -1.861 1.00 0.00 O ATOM 417 CB ASP A 28 6.271 -6.807 -0.144 1.00 0.00 C ATOM 418 CG ASP A 28 5.433 -6.762 -1.419 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.368 -5.704 -2.019 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.872 -7.786 -1.774 1.00 0.00 O ATOM 0 H ASP A 28 8.107 -7.149 1.481 1.00 0.00 H new ATOM 0 HA ASP A 28 8.051 -6.904 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.269 -7.815 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.839 -6.151 0.612 1.00 0.00 H new ATOM 425 N CYS A 29 7.755 -4.074 0.307 1.00 0.00 N ATOM 426 CA CYS A 29 7.809 -2.600 0.110 1.00 0.00 C ATOM 427 C CYS A 29 9.167 -2.236 -0.495 1.00 0.00 C ATOM 428 O CYS A 29 9.340 -1.189 -1.087 1.00 0.00 O ATOM 429 CB CYS A 29 7.654 -1.898 1.461 1.00 0.00 C ATOM 430 SG CYS A 29 6.214 -2.568 2.331 1.00 0.00 S ATOM 0 H CYS A 29 7.731 -4.383 1.279 1.00 0.00 H new ATOM 0 HA CYS A 29 7.005 -2.285 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.553 -2.040 2.061 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.535 -0.825 1.313 1.00 0.00 H new ATOM 435 N ASP A 30 10.136 -3.099 -0.339 1.00 0.00 N ATOM 436 CA ASP A 30 11.491 -2.819 -0.891 1.00 0.00 C ATOM 437 C ASP A 30 11.636 -3.471 -2.267 1.00 0.00 C ATOM 438 O ASP A 30 12.661 -3.359 -2.909 1.00 0.00 O ATOM 439 CB ASP A 30 12.545 -3.395 0.055 1.00 0.00 C ATOM 440 CG ASP A 30 12.504 -2.640 1.383 1.00 0.00 C ATOM 441 OD1 ASP A 30 11.939 -1.559 1.408 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.040 -3.152 2.351 1.00 0.00 O ATOM 0 H ASP A 30 10.045 -3.990 0.150 1.00 0.00 H new ATOM 0 HA ASP A 30 11.627 -1.742 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.359 -4.456 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.535 -3.312 -0.393 1.00 0.00 H new ATOM 447 N ASN A 31 10.623 -4.149 -2.729 1.00 0.00 N ATOM 448 CA ASN A 31 10.714 -4.801 -4.062 1.00 0.00 C ATOM 449 C ASN A 31 10.072 -3.888 -5.107 1.00 0.00 C ATOM 450 O ASN A 31 8.888 -3.621 -5.066 1.00 0.00 O ATOM 451 CB ASN A 31 9.974 -6.139 -4.021 1.00 0.00 C ATOM 452 CG ASN A 31 10.187 -6.890 -5.335 1.00 0.00 C ATOM 453 OD1 ASN A 31 10.686 -6.335 -6.293 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.828 -8.142 -5.421 1.00 0.00 N ATOM 0 H ASN A 31 9.737 -4.279 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 31 11.758 -4.975 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.335 -6.739 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.910 -5.971 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.967 -8.654 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.409 -8.609 -4.617 1.00 0.00 H new ATOM 461 N ASP A 32 10.841 -3.402 -6.038 1.00 0.00 N ATOM 462 CA ASP A 32 10.267 -2.506 -7.080 1.00 0.00 C ATOM 463 C ASP A 32 9.165 -3.257 -7.828 1.00 0.00 C ATOM 464 O ASP A 32 8.191 -2.681 -8.266 1.00 0.00 O ATOM 465 CB ASP A 32 11.368 -2.092 -8.060 1.00 0.00 C ATOM 466 CG ASP A 32 12.423 -1.266 -7.320 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.139 -0.832 -6.217 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.497 -1.085 -7.869 1.00 0.00 O ATOM 0 H ASP A 32 11.841 -3.585 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 32 9.850 -1.613 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.827 -2.976 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.942 -1.510 -8.878 1.00 0.00 H new ATOM 473 N ASP A 33 9.321 -4.543 -7.976 1.00 0.00 N ATOM 474 CA ASP A 33 8.296 -5.347 -8.693 1.00 0.00 C ATOM 475 C ASP A 33 7.000 -5.395 -7.878 1.00 0.00 C ATOM 476 O ASP A 33 5.937 -5.650 -8.411 1.00 0.00 O ATOM 477 CB ASP A 33 8.827 -6.768 -8.900 1.00 0.00 C ATOM 478 CG ASP A 33 7.841 -7.565 -9.756 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.846 -6.992 -10.166 1.00 0.00 O ATOM 480 OD2 ASP A 33 8.098 -8.735 -9.987 1.00 0.00 O ATOM 0 H ASP A 33 10.120 -5.073 -7.628 1.00 0.00 H new ATOM 0 HA ASP A 33 8.087 -4.887 -9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.802 -6.735 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.967 -7.259 -7.937 1.00 0.00 H new ATOM 485 N LYS A 34 7.071 -5.167 -6.591 1.00 0.00 N ATOM 486 CA LYS A 34 5.830 -5.220 -5.763 1.00 0.00 C ATOM 487 C LYS A 34 5.485 -3.825 -5.247 1.00 0.00 C ATOM 488 O LYS A 34 4.491 -3.633 -4.574 1.00 0.00 O ATOM 489 CB LYS A 34 6.052 -6.148 -4.572 1.00 0.00 C ATOM 490 CG LYS A 34 6.681 -7.451 -5.059 1.00 0.00 C ATOM 491 CD LYS A 34 6.651 -8.486 -3.935 1.00 0.00 C ATOM 492 CE LYS A 34 7.430 -9.729 -4.368 1.00 0.00 C ATOM 493 NZ LYS A 34 6.541 -10.922 -4.294 1.00 0.00 N ATOM 0 H LYS A 34 7.927 -4.948 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 34 5.011 -5.592 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.701 -5.669 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.104 -6.352 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.139 -7.826 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.709 -7.274 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.088 -8.067 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.621 -8.753 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.803 -9.602 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.299 -9.869 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.070 -11.768 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.206 -11.045 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.725 -10.787 -4.925 1.00 0.00 H new ATOM 507 N LEU A 35 6.294 -2.847 -5.543 1.00 0.00 N ATOM 508 CA LEU A 35 5.995 -1.475 -5.051 1.00 0.00 C ATOM 509 C LEU A 35 4.586 -1.076 -5.485 1.00 0.00 C ATOM 510 O LEU A 35 3.794 -0.607 -4.693 1.00 0.00 O ATOM 511 CB LEU A 35 7.009 -0.487 -5.627 1.00 0.00 C ATOM 512 CG LEU A 35 8.236 -0.412 -4.716 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.287 0.497 -5.354 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.823 0.165 -3.358 1.00 0.00 C ATOM 0 H LEU A 35 7.143 -2.937 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 35 6.059 -1.459 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.307 -0.800 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.555 0.499 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 35 8.652 -1.410 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.162 0.552 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.578 0.092 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.871 1.496 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.695 0.220 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.410 1.164 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.070 -0.478 -2.903 1.00 0.00 H new ATOM 526 N LEU A 36 4.263 -1.270 -6.733 1.00 0.00 N ATOM 527 CA LEU A 36 2.897 -0.913 -7.203 1.00 0.00 C ATOM 528 C LEU A 36 1.883 -1.805 -6.494 1.00 0.00 C ATOM 529 O LEU A 36 0.814 -1.370 -6.112 1.00 0.00 O ATOM 530 CB LEU A 36 2.799 -1.138 -8.712 1.00 0.00 C ATOM 531 CG LEU A 36 1.445 -0.636 -9.215 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.630 0.058 -10.563 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.489 -1.820 -9.380 1.00 0.00 C ATOM 0 H LEU A 36 4.883 -1.658 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 36 2.693 0.134 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.606 -0.612 -9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.914 -2.197 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 36 1.029 0.069 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.666 0.416 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.311 0.902 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.046 -0.648 -11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.476 -1.461 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.904 -2.525 -10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.357 -2.318 -8.419 1.00 0.00 H new ATOM 545 N GLU A 37 2.213 -3.051 -6.317 1.00 0.00 N ATOM 546 CA GLU A 37 1.276 -3.982 -5.638 1.00 0.00 C ATOM 547 C GLU A 37 1.001 -3.470 -4.224 1.00 0.00 C ATOM 548 O GLU A 37 -0.112 -3.515 -3.744 1.00 0.00 O ATOM 549 CB GLU A 37 1.918 -5.369 -5.569 1.00 0.00 C ATOM 550 CG GLU A 37 2.201 -5.867 -6.991 1.00 0.00 C ATOM 551 CD GLU A 37 0.881 -6.031 -7.747 1.00 0.00 C ATOM 552 OE1 GLU A 37 -0.145 -6.106 -7.094 1.00 0.00 O ATOM 553 OE2 GLU A 37 0.921 -6.082 -8.964 1.00 0.00 O ATOM 0 H GLU A 37 3.096 -3.466 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 37 0.338 -4.041 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.844 -5.326 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.255 -6.064 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.846 -5.161 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.733 -6.818 -6.956 1.00 0.00 H new ATOM 560 N MET A 38 2.006 -2.973 -3.557 1.00 0.00 N ATOM 561 CA MET A 38 1.803 -2.447 -2.179 1.00 0.00 C ATOM 562 C MET A 38 0.999 -1.150 -2.239 1.00 0.00 C ATOM 563 O MET A 38 0.059 -0.953 -1.493 1.00 0.00 O ATOM 564 CB MET A 38 3.161 -2.168 -1.547 1.00 0.00 C ATOM 565 CG MET A 38 3.891 -3.488 -1.305 1.00 0.00 C ATOM 566 SD MET A 38 3.007 -4.444 -0.046 1.00 0.00 S ATOM 567 CE MET A 38 2.248 -5.652 -1.158 1.00 0.00 C ATOM 0 H MET A 38 2.961 -2.909 -3.909 1.00 0.00 H new ATOM 0 HA MET A 38 1.261 -3.182 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.753 -1.527 -2.200 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.033 -1.633 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.953 -4.057 -2.233 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.914 -3.296 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.172 -5.680 -0.985 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.442 -5.367 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.672 -6.638 -0.968 1.00 0.00 H new ATOM 577 N GLY A 39 1.351 -0.265 -3.132 1.00 0.00 N ATOM 578 CA GLY A 39 0.593 1.009 -3.245 1.00 0.00 C ATOM 579 C GLY A 39 -0.870 0.674 -3.502 1.00 0.00 C ATOM 580 O GLY A 39 -1.765 1.431 -3.180 1.00 0.00 O ATOM 0 H GLY A 39 2.128 -0.370 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.694 1.593 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.992 1.617 -4.057 1.00 0.00 H new ATOM 584 N TYR A 40 -1.113 -0.464 -4.085 1.00 0.00 N ATOM 585 CA TYR A 40 -2.509 -0.875 -4.378 1.00 0.00 C ATOM 586 C TYR A 40 -3.068 -1.715 -3.224 1.00 0.00 C ATOM 587 O TYR A 40 -4.122 -1.431 -2.691 1.00 0.00 O ATOM 588 CB TYR A 40 -2.515 -1.711 -5.657 1.00 0.00 C ATOM 589 CG TYR A 40 -3.903 -2.242 -5.900 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.298 -3.442 -5.304 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.796 -1.535 -6.713 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.585 -3.943 -5.520 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.086 -2.035 -6.931 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.479 -3.239 -6.335 1.00 0.00 C ATOM 595 OH TYR A 40 -7.751 -3.732 -6.547 1.00 0.00 O ATOM 0 H TYR A 40 -0.398 -1.132 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.129 0.013 -4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.193 -1.104 -6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.808 -2.536 -5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.607 -3.984 -4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.491 -0.606 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.889 -4.871 -5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.777 -1.492 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.244 -3.123 -7.135 1.00 0.00 H new ATOM 605 N TYR A 41 -2.380 -2.763 -2.851 1.00 0.00 N ATOM 606 CA TYR A 41 -2.882 -3.634 -1.752 1.00 0.00 C ATOM 607 C TYR A 41 -2.528 -3.054 -0.381 1.00 0.00 C ATOM 608 O TYR A 41 -3.370 -2.966 0.490 1.00 0.00 O ATOM 609 CB TYR A 41 -2.261 -5.030 -1.882 1.00 0.00 C ATOM 610 CG TYR A 41 -2.862 -5.750 -3.066 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.158 -6.273 -2.980 1.00 0.00 C ATOM 612 CD2 TYR A 41 -2.125 -5.900 -4.249 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.718 -6.943 -4.073 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.687 -6.569 -5.342 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.983 -7.090 -5.255 1.00 0.00 C ATOM 616 OH TYR A 41 -4.535 -7.751 -6.332 1.00 0.00 O ATOM 0 H TYR A 41 -1.492 -3.052 -3.262 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.967 -3.694 -1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.181 -4.947 -2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.435 -5.602 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.726 -6.159 -2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.124 -5.500 -4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.717 -7.347 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.120 -6.683 -6.254 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.893 -7.763 -7.072 1.00 0.00 H new ATOM 626 N CYS A 42 -1.293 -2.684 -0.160 1.00 0.00 N ATOM 627 CA CYS A 42 -0.927 -2.148 1.181 1.00 0.00 C ATOM 628 C CYS A 42 -0.149 -0.838 1.067 1.00 0.00 C ATOM 629 O CYS A 42 1.034 -0.784 1.357 1.00 0.00 O ATOM 630 CB CYS A 42 -0.063 -3.173 1.909 1.00 0.00 C ATOM 631 SG CYS A 42 -0.739 -4.826 1.642 1.00 0.00 S ATOM 0 H CYS A 42 -0.534 -2.729 -0.840 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.847 -1.955 1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.963 -3.125 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.033 -2.948 2.975 1.00 0.00 H new ATOM 636 N PRO A 43 -0.809 0.219 0.680 1.00 0.00 N ATOM 637 CA PRO A 43 -0.173 1.563 0.558 1.00 0.00 C ATOM 638 C PRO A 43 0.219 2.121 1.929 1.00 0.00 C ATOM 639 O PRO A 43 1.199 2.829 2.072 1.00 0.00 O ATOM 640 CB PRO A 43 -1.266 2.426 -0.078 1.00 0.00 C ATOM 641 CG PRO A 43 -2.547 1.748 0.276 1.00 0.00 C ATOM 642 CD PRO A 43 -2.234 0.255 0.315 1.00 0.00 C ATOM 0 HA PRO A 43 0.747 1.535 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.239 3.445 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.139 2.491 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.919 2.094 1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.321 1.966 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.850 -0.267 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.415 -0.220 -0.650 1.00 0.00 H new ATOM 650 N VAL A 44 -0.546 1.808 2.940 1.00 0.00 N ATOM 651 CA VAL A 44 -0.231 2.311 4.306 1.00 0.00 C ATOM 652 C VAL A 44 0.887 1.467 4.923 1.00 0.00 C ATOM 653 O VAL A 44 1.812 1.982 5.516 1.00 0.00 O ATOM 654 CB VAL A 44 -1.482 2.211 5.182 1.00 0.00 C ATOM 655 CG1 VAL A 44 -1.167 2.720 6.590 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.597 3.061 4.570 1.00 0.00 C ATOM 0 H VAL A 44 -1.379 1.223 2.877 1.00 0.00 H new ATOM 0 HA VAL A 44 0.094 3.350 4.243 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.803 1.171 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.060 2.648 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.371 2.116 7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.845 3.760 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.490 2.992 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.273 4.100 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.824 2.697 3.568 1.00 0.00 H new ATOM 666 N THR A 45 0.799 0.168 4.798 1.00 0.00 N ATOM 667 CA THR A 45 1.846 -0.719 5.391 1.00 0.00 C ATOM 668 C THR A 45 3.224 -0.401 4.809 1.00 0.00 C ATOM 669 O THR A 45 4.223 -0.457 5.499 1.00 0.00 O ATOM 670 CB THR A 45 1.517 -2.182 5.094 1.00 0.00 C ATOM 671 OG1 THR A 45 0.197 -2.474 5.534 1.00 0.00 O ATOM 672 CG2 THR A 45 2.515 -3.079 5.825 1.00 0.00 C ATOM 0 H THR A 45 0.046 -0.318 4.310 1.00 0.00 H new ATOM 0 HA THR A 45 1.862 -0.546 6.467 1.00 0.00 H new ATOM 0 HB THR A 45 1.583 -2.362 4.021 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.207 -3.288 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.285 -4.124 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.525 -2.854 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.448 -2.899 6.898 1.00 0.00 H new ATOM 680 N CYS A 46 3.300 -0.094 3.542 1.00 0.00 N ATOM 681 CA CYS A 46 4.632 0.193 2.938 1.00 0.00 C ATOM 682 C CYS A 46 5.002 1.664 3.134 1.00 0.00 C ATOM 683 O CYS A 46 6.093 2.085 2.804 1.00 0.00 O ATOM 684 CB CYS A 46 4.604 -0.151 1.450 1.00 0.00 C ATOM 685 SG CYS A 46 4.624 -1.951 1.249 1.00 0.00 S ATOM 0 H CYS A 46 2.506 -0.030 2.905 1.00 0.00 H new ATOM 0 HA CYS A 46 5.386 -0.419 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.712 0.268 0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.463 0.292 0.947 1.00 0.00 H new ATOM 690 N GLY A 47 4.123 2.446 3.694 1.00 0.00 N ATOM 691 CA GLY A 47 4.453 3.878 3.934 1.00 0.00 C ATOM 692 C GLY A 47 4.273 4.708 2.661 1.00 0.00 C ATOM 693 O GLY A 47 5.018 5.635 2.412 1.00 0.00 O ATOM 0 H GLY A 47 3.192 2.157 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.814 4.274 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.482 3.963 4.284 1.00 0.00 H new ATOM 697 N PHE A 48 3.286 4.408 1.865 1.00 0.00 N ATOM 698 CA PHE A 48 3.065 5.213 0.632 1.00 0.00 C ATOM 699 C PHE A 48 1.846 6.100 0.856 1.00 0.00 C ATOM 700 O PHE A 48 1.583 7.026 0.113 1.00 0.00 O ATOM 701 CB PHE A 48 2.825 4.286 -0.560 1.00 0.00 C ATOM 702 CG PHE A 48 3.990 3.328 -0.707 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.267 3.674 -0.234 1.00 0.00 C ATOM 704 CD2 PHE A 48 3.792 2.087 -1.321 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.334 2.781 -0.380 1.00 0.00 C ATOM 706 CE2 PHE A 48 4.861 1.196 -1.466 1.00 0.00 C ATOM 707 CZ PHE A 48 6.132 1.543 -0.995 1.00 0.00 C ATOM 0 H PHE A 48 2.626 3.645 2.013 1.00 0.00 H new ATOM 0 HA PHE A 48 3.941 5.825 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.899 3.728 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.707 4.873 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.425 4.630 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.812 1.816 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.315 3.049 -0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.705 0.239 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.956 0.854 -1.107 1.00 0.00 H new ATOM 717 N CYS A 49 1.115 5.832 1.899 1.00 0.00 N ATOM 718 CA CYS A 49 -0.081 6.661 2.215 1.00 0.00 C ATOM 719 C CYS A 49 -0.021 7.072 3.685 1.00 0.00 C ATOM 720 O CYS A 49 0.747 6.533 4.458 1.00 0.00 O ATOM 721 CB CYS A 49 -1.351 5.854 1.958 1.00 0.00 C ATOM 722 SG CYS A 49 -1.935 6.164 0.272 1.00 0.00 S ATOM 0 H CYS A 49 1.295 5.069 2.552 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.092 7.549 1.582 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.153 4.791 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.122 6.130 2.678 1.00 0.00 H new ATOM 727 N GLU A 50 -0.824 8.019 4.083 1.00 0.00 N ATOM 728 CA GLU A 50 -0.809 8.456 5.507 1.00 0.00 C ATOM 729 C GLU A 50 -2.026 7.865 6.226 1.00 0.00 C ATOM 730 O GLU A 50 -3.154 8.188 5.905 1.00 0.00 O ATOM 731 CB GLU A 50 -0.870 9.981 5.571 1.00 0.00 C ATOM 732 CG GLU A 50 0.213 10.573 4.666 1.00 0.00 C ATOM 733 CD GLU A 50 -0.249 10.519 3.209 1.00 0.00 C ATOM 734 OE1 GLU A 50 -1.184 11.229 2.876 1.00 0.00 O ATOM 735 OE2 GLU A 50 0.343 9.769 2.449 1.00 0.00 O ATOM 0 H GLU A 50 -1.489 8.509 3.485 1.00 0.00 H new ATOM 0 HA GLU A 50 0.106 8.110 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.853 10.330 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.726 10.319 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.419 11.604 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.143 10.017 4.784 1.00 0.00 H new ATOM 742 N PRO A 51 -1.809 7.001 7.186 1.00 0.00 N ATOM 743 CA PRO A 51 -2.916 6.360 7.947 1.00 0.00 C ATOM 744 C PRO A 51 -3.986 7.367 8.377 1.00 0.00 C ATOM 745 O PRO A 51 -5.156 7.058 8.226 1.00 0.00 O ATOM 746 CB PRO A 51 -2.225 5.767 9.172 1.00 0.00 C ATOM 747 CG PRO A 51 -0.804 5.546 8.769 1.00 0.00 C ATOM 748 CD PRO A 51 -0.488 6.545 7.654 1.00 0.00 C ATOM 749 OXT PRO A 51 -3.615 8.429 8.848 1.00 0.00 O ATOM 0 HA PRO A 51 -3.442 5.621 7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.289 6.444 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.696 4.831 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.136 5.693 9.618 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.657 4.523 8.422 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.112 7.377 8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.079 6.076 6.849 1.00 0.00 H new TER 757 PRO A 51