USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 654 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 33 CYS SG : rot 180:sc= -0.448 USER MOD Set 1.2: A 38 MET CE :methyl -134:sc= -0.388 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -25:sc= 0.283 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.0101 USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 80:sc= 0.614 USER MOD Single : A 51 TYR OH : rot 129:sc= 1.15 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0.121 (180deg=0.115) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 0.366 (180deg=0.31) USER MOD Single : A 60 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.84) USER MOD Single : A 61 TYR OH : rot -131:sc= -2.36! USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 66 HIS : no HD1:sc= 0.926 K(o=0.93,f=-3!) USER MOD Single : A 70 HIS : +bothHN:sc= -0.37 K(o=-0.37,f=-4.5!) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.091 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0811 X(o=-0.081,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.016 9.199 3.908 1.00 0.00 N ATOM 28 CA PHE A 18 -7.149 9.050 2.745 1.00 0.00 C ATOM 29 C PHE A 18 -7.231 7.635 2.184 1.00 0.00 C ATOM 30 O PHE A 18 -7.727 6.722 2.845 1.00 0.00 O ATOM 31 CB PHE A 18 -5.702 9.379 3.115 1.00 0.00 C ATOM 32 CG PHE A 18 -4.983 10.178 2.067 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.068 11.560 2.054 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.223 9.546 1.095 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.409 12.299 1.091 1.00 0.00 C ATOM 36 CE2 PHE A 18 -3.563 10.279 0.129 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.657 11.658 0.127 1.00 0.00 C ATOM 0 HA PHE A 18 -7.489 9.747 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.692 9.933 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.159 8.450 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.656 12.066 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.146 8.469 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.482 13.377 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.974 9.776 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.142 12.234 -0.628 1.00 0.00 H new ATOM 47 N LYS A 19 -6.736 7.457 0.963 1.00 0.00 N ATOM 48 CA LYS A 19 -6.751 6.151 0.318 1.00 0.00 C ATOM 49 C LYS A 19 -5.809 6.122 -0.882 1.00 0.00 C ATOM 50 O LYS A 19 -5.967 6.894 -1.829 1.00 0.00 O ATOM 51 CB LYS A 19 -8.173 5.793 -0.122 1.00 0.00 C ATOM 52 CG LYS A 19 -8.767 4.617 0.636 1.00 0.00 C ATOM 53 CD LYS A 19 -9.400 3.604 -0.305 1.00 0.00 C ATOM 54 CE LYS A 19 -10.203 2.562 0.455 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.552 3.066 0.830 1.00 0.00 N ATOM 0 H LYS A 19 -6.320 8.200 0.402 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.406 5.413 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.816 6.663 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.167 5.562 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.988 4.131 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.517 4.979 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.049 4.120 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.622 3.111 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.307 1.666 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.661 2.271 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.068 2.325 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.453 3.906 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.079 3.320 -0.030 1.00 0.00 H new ATOM 69 N VAL A 20 -4.831 5.225 -0.836 1.00 0.00 N ATOM 70 CA VAL A 20 -3.866 5.092 -1.918 1.00 0.00 C ATOM 71 C VAL A 20 -3.568 3.627 -2.211 1.00 0.00 C ATOM 72 O VAL A 20 -3.485 2.805 -1.298 1.00 0.00 O ATOM 73 CB VAL A 20 -2.547 5.815 -1.590 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.739 7.323 -1.625 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.016 5.368 -0.236 1.00 0.00 C ATOM 0 H VAL A 20 -4.686 4.579 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.315 5.553 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.811 5.550 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.795 7.815 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.069 7.625 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.491 7.611 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.083 5.889 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.748 5.601 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.835 4.293 -0.253 1.00 0.00 H new ATOM 85 N THR A 21 -3.406 3.307 -3.490 1.00 0.00 N ATOM 86 CA THR A 21 -3.116 1.941 -3.905 1.00 0.00 C ATOM 87 C THR A 21 -1.632 1.776 -4.213 1.00 0.00 C ATOM 88 O THR A 21 -1.107 2.395 -5.137 1.00 0.00 O ATOM 89 CB THR A 21 -3.951 1.568 -5.131 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.332 1.732 -4.867 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.737 0.142 -5.589 1.00 0.00 C ATOM 0 H THR A 21 -3.471 3.976 -4.257 1.00 0.00 H new ATOM 0 HA THR A 21 -3.377 1.272 -3.085 1.00 0.00 H new ATOM 0 HB THR A 21 -3.618 2.240 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.491 1.661 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.359 -0.057 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.689 -0.003 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.009 -0.543 -4.786 1.00 0.00 H new ATOM 99 N VAL A 22 -0.960 0.937 -3.432 1.00 0.00 N ATOM 100 CA VAL A 22 0.464 0.693 -3.623 1.00 0.00 C ATOM 101 C VAL A 22 0.702 -0.630 -4.339 1.00 0.00 C ATOM 102 O VAL A 22 0.448 -1.702 -3.789 1.00 0.00 O ATOM 103 CB VAL A 22 1.220 0.679 -2.279 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.721 0.729 -2.514 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.772 1.835 -1.399 1.00 0.00 C ATOM 0 H VAL A 22 -1.378 0.415 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 22 0.844 1.510 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 22 0.985 -0.251 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.240 0.718 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.026 -0.137 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.975 1.641 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.317 1.807 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.974 2.778 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.297 1.750 -1.203 1.00 0.00 H new ATOM 115 N CYS A 23 1.188 -0.549 -5.572 1.00 0.00 N ATOM 116 CA CYS A 23 1.457 -1.743 -6.365 1.00 0.00 C ATOM 117 C CYS A 23 2.863 -2.270 -6.095 1.00 0.00 C ATOM 118 O CYS A 23 3.844 -1.746 -6.620 1.00 0.00 O ATOM 119 CB CYS A 23 1.292 -1.438 -7.854 1.00 0.00 C ATOM 120 SG CYS A 23 1.129 -2.908 -8.895 1.00 0.00 S ATOM 0 H CYS A 23 1.404 0.329 -6.044 1.00 0.00 H new ATOM 0 HA CYS A 23 0.739 -2.511 -6.076 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.411 -0.810 -7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.151 -0.859 -8.193 1.00 0.00 H new ATOM 0 HG CYS A 23 0.992 -2.548 -10.137 1.00 0.00 H new ATOM 126 N PHE A 24 2.948 -3.317 -5.282 1.00 0.00 N ATOM 127 CA PHE A 24 4.232 -3.922 -4.949 1.00 0.00 C ATOM 128 C PHE A 24 4.652 -4.913 -6.028 1.00 0.00 C ATOM 129 O PHE A 24 4.180 -6.049 -6.054 1.00 0.00 O ATOM 130 CB PHE A 24 4.151 -4.629 -3.596 1.00 0.00 C ATOM 131 CG PHE A 24 4.315 -3.704 -2.425 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.362 -2.737 -2.152 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.423 -3.800 -1.599 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.511 -1.883 -1.078 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.578 -2.948 -0.522 1.00 0.00 C ATOM 136 CZ PHE A 24 4.619 -1.988 -0.261 1.00 0.00 C ATOM 0 H PHE A 24 2.144 -3.764 -4.842 1.00 0.00 H new ATOM 0 HA PHE A 24 4.979 -3.130 -4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.189 -5.135 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.921 -5.399 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.492 -2.650 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.174 -4.549 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.761 -1.133 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.447 -3.032 0.114 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.736 -1.321 0.580 1.00 0.00 H new ATOM 146 N GLY A 25 5.539 -4.475 -6.916 1.00 0.00 N ATOM 147 CA GLY A 25 6.002 -5.339 -7.987 1.00 0.00 C ATOM 148 C GLY A 25 4.863 -5.858 -8.846 1.00 0.00 C ATOM 149 O GLY A 25 4.535 -5.270 -9.876 1.00 0.00 O ATOM 0 H GLY A 25 5.945 -3.539 -6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.705 -4.791 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.545 -6.182 -7.561 1.00 0.00 H new ATOM 153 N ARG A 26 4.258 -6.961 -8.417 1.00 0.00 N ATOM 154 CA ARG A 26 3.145 -7.558 -9.145 1.00 0.00 C ATOM 155 C ARG A 26 1.973 -7.838 -8.210 1.00 0.00 C ATOM 156 O ARG A 26 1.215 -8.787 -8.413 1.00 0.00 O ATOM 157 CB ARG A 26 3.591 -8.851 -9.830 1.00 0.00 C ATOM 158 CG ARG A 26 4.057 -8.650 -11.263 1.00 0.00 C ATOM 159 CD ARG A 26 4.769 -9.881 -11.795 1.00 0.00 C ATOM 160 NE ARG A 26 5.794 -9.539 -12.780 1.00 0.00 N ATOM 161 CZ ARG A 26 5.526 -9.061 -13.993 1.00 0.00 C ATOM 162 NH1 ARG A 26 4.270 -8.866 -14.374 1.00 0.00 N ATOM 163 NH2 ARG A 26 6.517 -8.774 -14.826 1.00 0.00 N ATOM 0 H ARG A 26 4.521 -7.460 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 26 2.817 -6.849 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.400 -9.298 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.764 -9.561 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.200 -8.422 -11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.727 -7.792 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.228 -10.420 -10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.041 -10.553 -12.248 1.00 0.00 H new ATOM 0 HE ARG A 26 6.772 -9.675 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.504 -9.083 -13.736 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.070 -8.499 -15.305 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.484 -8.920 -14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.312 -8.408 -15.756 1.00 0.00 H new ATOM 177 N THR A 27 1.832 -7.005 -7.183 1.00 0.00 N ATOM 178 CA THR A 27 0.754 -7.158 -6.211 1.00 0.00 C ATOM 179 C THR A 27 0.202 -5.799 -5.797 1.00 0.00 C ATOM 180 O THR A 27 0.931 -4.955 -5.279 1.00 0.00 O ATOM 181 CB THR A 27 1.255 -7.919 -4.981 1.00 0.00 C ATOM 182 OG1 THR A 27 1.749 -9.194 -5.347 1.00 0.00 O ATOM 183 CG2 THR A 27 0.188 -8.125 -3.927 1.00 0.00 C ATOM 0 H THR A 27 2.452 -6.216 -7.002 1.00 0.00 H new ATOM 0 HA THR A 27 -0.049 -7.728 -6.678 1.00 0.00 H new ATOM 0 HB THR A 27 2.043 -7.296 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.917 -9.724 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.611 -8.671 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.178 -7.157 -3.586 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.637 -8.696 -4.352 1.00 0.00 H new ATOM 191 N ARG A 28 -1.091 -5.593 -6.027 1.00 0.00 N ATOM 192 CA ARG A 28 -1.738 -4.333 -5.679 1.00 0.00 C ATOM 193 C ARG A 28 -2.394 -4.417 -4.305 1.00 0.00 C ATOM 194 O ARG A 28 -3.141 -5.353 -4.019 1.00 0.00 O ATOM 195 CB ARG A 28 -2.784 -3.966 -6.734 1.00 0.00 C ATOM 196 CG ARG A 28 -2.252 -4.014 -8.159 1.00 0.00 C ATOM 197 CD ARG A 28 -3.172 -4.809 -9.073 1.00 0.00 C ATOM 198 NE ARG A 28 -3.025 -6.250 -8.877 1.00 0.00 N ATOM 199 CZ ARG A 28 -3.919 -7.148 -9.285 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.024 -6.758 -9.909 1.00 0.00 N ATOM 201 NH2 ARG A 28 -3.708 -8.439 -9.069 1.00 0.00 N ATOM 0 H ARG A 28 -1.711 -6.282 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.973 -3.557 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.630 -4.647 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.160 -2.964 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.145 -2.999 -8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.259 -4.462 -8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.206 -4.521 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.955 -4.560 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.189 -6.587 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.191 -5.766 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.706 -7.450 -10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.861 -8.744 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.393 -9.127 -9.382 1.00 0.00 H new ATOM 215 N VAL A 29 -2.111 -3.431 -3.459 1.00 0.00 N ATOM 216 CA VAL A 29 -2.674 -3.391 -2.115 1.00 0.00 C ATOM 217 C VAL A 29 -3.088 -1.974 -1.735 1.00 0.00 C ATOM 218 O VAL A 29 -2.263 -1.060 -1.720 1.00 0.00 O ATOM 219 CB VAL A 29 -1.674 -3.920 -1.070 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.550 -5.432 -1.167 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.317 -3.253 -1.243 1.00 0.00 C ATOM 0 H VAL A 29 -1.495 -2.649 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.554 -4.034 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.050 -3.673 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.839 -5.787 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.523 -5.889 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.199 -5.705 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.376 -3.639 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.068 -3.466 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.423 -2.175 -1.117 1.00 0.00 H new ATOM 231 N ASP A 30 -4.369 -1.797 -1.430 1.00 0.00 N ATOM 232 CA ASP A 30 -4.893 -0.488 -1.050 1.00 0.00 C ATOM 233 C ASP A 30 -4.470 -0.126 0.371 1.00 0.00 C ATOM 234 O ASP A 30 -4.306 -1.000 1.221 1.00 0.00 O ATOM 235 CB ASP A 30 -6.417 -0.474 -1.162 1.00 0.00 C ATOM 236 CG ASP A 30 -6.895 0.131 -2.468 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.956 1.375 -2.560 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.206 -0.640 -3.401 1.00 0.00 O ATOM 0 H ASP A 30 -5.065 -2.543 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.480 0.255 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.794 -1.493 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.835 0.091 -0.329 1.00 0.00 H new ATOM 243 N VAL A 31 -4.298 1.168 0.618 1.00 0.00 N ATOM 244 CA VAL A 31 -3.896 1.645 1.936 1.00 0.00 C ATOM 245 C VAL A 31 -4.704 2.874 2.350 1.00 0.00 C ATOM 246 O VAL A 31 -4.339 4.005 2.026 1.00 0.00 O ATOM 247 CB VAL A 31 -2.398 1.996 1.972 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.951 2.294 3.395 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.571 0.870 1.371 1.00 0.00 C ATOM 0 H VAL A 31 -4.430 1.904 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.090 0.834 2.637 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.241 2.892 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.889 2.540 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.520 3.137 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.123 1.419 4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.515 1.136 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.733 -0.045 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.872 0.710 0.335 1.00 0.00 H new ATOM 259 N PRO A 32 -5.818 2.667 3.076 1.00 0.00 N ATOM 260 CA PRO A 32 -6.676 3.760 3.532 1.00 0.00 C ATOM 261 C PRO A 32 -6.150 4.417 4.805 1.00 0.00 C ATOM 262 O PRO A 32 -6.064 3.778 5.853 1.00 0.00 O ATOM 263 CB PRO A 32 -8.001 3.054 3.804 1.00 0.00 C ATOM 264 CG PRO A 32 -7.612 1.681 4.233 1.00 0.00 C ATOM 265 CD PRO A 32 -6.332 1.351 3.504 1.00 0.00 C ATOM 0 HA PRO A 32 -6.741 4.569 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.571 3.565 4.580 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.627 3.029 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.466 1.639 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.394 0.962 3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.623 0.837 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.515 0.697 2.651 1.00 0.00 H new ATOM 273 N CYS A 33 -5.801 5.696 4.707 1.00 0.00 N ATOM 274 CA CYS A 33 -5.284 6.437 5.852 1.00 0.00 C ATOM 275 C CYS A 33 -6.419 7.086 6.639 1.00 0.00 C ATOM 276 O CYS A 33 -7.462 7.422 6.080 1.00 0.00 O ATOM 277 CB CYS A 33 -4.292 7.506 5.390 1.00 0.00 C ATOM 278 SG CYS A 33 -2.937 7.805 6.549 1.00 0.00 S ATOM 0 H CYS A 33 -5.867 6.240 3.847 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.770 5.732 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.874 7.208 4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.830 8.440 5.228 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.151 8.722 6.070 1.00 0.00 H new ATOM 284 N GLY A 34 -6.207 7.258 7.940 1.00 0.00 N ATOM 285 CA GLY A 34 -7.220 7.865 8.783 1.00 0.00 C ATOM 286 C GLY A 34 -7.560 9.280 8.353 1.00 0.00 C ATOM 287 O GLY A 34 -8.662 9.541 7.871 1.00 0.00 O ATOM 0 H GLY A 34 -5.352 6.988 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.122 7.254 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.870 7.876 9.815 1.00 0.00 H new ATOM 291 N ASP A 35 -6.613 10.194 8.533 1.00 0.00 N ATOM 292 CA ASP A 35 -6.817 11.589 8.163 1.00 0.00 C ATOM 293 C ASP A 35 -6.071 11.925 6.874 1.00 0.00 C ATOM 294 O ASP A 35 -6.520 12.754 6.085 1.00 0.00 O ATOM 295 CB ASP A 35 -6.349 12.512 9.290 1.00 0.00 C ATOM 296 CG ASP A 35 -7.244 13.725 9.453 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.310 14.545 8.514 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.880 13.854 10.521 1.00 0.00 O ATOM 0 H ASP A 35 -5.696 9.994 8.933 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.883 11.742 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.324 11.954 10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.330 12.841 9.087 1.00 0.00 H new ATOM 303 N GLY A 36 -4.931 11.272 6.671 1.00 0.00 N ATOM 304 CA GLY A 36 -4.140 11.516 5.480 1.00 0.00 C ATOM 305 C GLY A 36 -2.896 12.340 5.758 1.00 0.00 C ATOM 306 O GLY A 36 -2.152 12.677 4.837 1.00 0.00 O ATOM 0 H GLY A 36 -4.542 10.579 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.848 10.562 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.754 12.031 4.741 1.00 0.00 H new ATOM 310 N ARG A 37 -2.666 12.663 7.028 1.00 0.00 N ATOM 311 CA ARG A 37 -1.502 13.452 7.416 1.00 0.00 C ATOM 312 C ARG A 37 -0.367 12.549 7.891 1.00 0.00 C ATOM 313 O ARG A 37 0.378 12.902 8.806 1.00 0.00 O ATOM 314 CB ARG A 37 -1.875 14.445 8.518 1.00 0.00 C ATOM 315 CG ARG A 37 -2.467 15.744 7.990 1.00 0.00 C ATOM 316 CD ARG A 37 -3.811 16.056 8.634 1.00 0.00 C ATOM 317 NE ARG A 37 -3.742 17.232 9.497 1.00 0.00 N ATOM 318 CZ ARG A 37 -3.256 17.216 10.737 1.00 0.00 C ATOM 319 NH1 ARG A 37 -2.791 16.087 11.258 1.00 0.00 N ATOM 320 NH2 ARG A 37 -3.234 18.330 11.455 1.00 0.00 N ATOM 0 H ARG A 37 -3.269 12.391 7.804 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.161 14.005 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.592 13.976 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.986 14.673 9.107 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.774 16.563 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.589 15.675 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.557 16.220 7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.142 15.197 9.217 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.086 18.118 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.805 15.228 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.420 16.079 12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.589 19.200 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.862 18.317 12.405 1.00 0.00 H new ATOM 334 N MET A 38 -0.239 11.387 7.260 1.00 0.00 N ATOM 335 CA MET A 38 0.807 10.435 7.614 1.00 0.00 C ATOM 336 C MET A 38 1.967 10.520 6.630 1.00 0.00 C ATOM 337 O MET A 38 1.764 10.705 5.431 1.00 0.00 O ATOM 338 CB MET A 38 0.250 9.010 7.632 1.00 0.00 C ATOM 339 CG MET A 38 1.026 8.063 8.531 1.00 0.00 C ATOM 340 SD MET A 38 -0.046 6.972 9.487 1.00 0.00 S ATOM 341 CE MET A 38 -0.695 5.919 8.192 1.00 0.00 C ATOM 0 H MET A 38 -0.847 11.082 6.500 1.00 0.00 H new ATOM 0 HA MET A 38 1.171 10.688 8.610 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.789 9.039 7.961 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.252 8.616 6.616 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.699 7.460 7.921 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.647 8.644 9.213 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.773 5.814 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.482 6.364 7.220 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.225 4.937 8.252 1.00 0.00 H new ATOM 351 N LYS A 39 3.184 10.382 7.141 1.00 0.00 N ATOM 352 CA LYS A 39 4.370 10.441 6.300 1.00 0.00 C ATOM 353 C LYS A 39 4.448 9.218 5.391 1.00 0.00 C ATOM 354 O LYS A 39 4.036 8.120 5.770 1.00 0.00 O ATOM 355 CB LYS A 39 5.630 10.538 7.161 1.00 0.00 C ATOM 356 CG LYS A 39 6.255 11.922 7.161 1.00 0.00 C ATOM 357 CD LYS A 39 6.937 12.225 8.485 1.00 0.00 C ATOM 358 CE LYS A 39 6.560 13.603 9.005 1.00 0.00 C ATOM 359 NZ LYS A 39 7.716 14.292 9.644 1.00 0.00 N ATOM 0 H LYS A 39 3.374 10.229 8.131 1.00 0.00 H new ATOM 0 HA LYS A 39 4.301 11.332 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.384 10.259 8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.363 9.816 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.981 11.994 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.486 12.670 6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.659 11.469 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.018 12.166 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.185 14.211 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.749 13.509 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.417 15.228 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.059 13.725 10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.481 14.405 8.948 1.00 0.00 H new ATOM 373 N VAL A 40 4.980 9.411 4.188 1.00 0.00 N ATOM 374 CA VAL A 40 5.111 8.318 3.232 1.00 0.00 C ATOM 375 C VAL A 40 5.758 7.101 3.884 1.00 0.00 C ATOM 376 O VAL A 40 5.300 5.975 3.705 1.00 0.00 O ATOM 377 CB VAL A 40 5.943 8.736 2.002 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.007 7.603 0.987 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.369 9.996 1.371 1.00 0.00 C ATOM 0 H VAL A 40 5.326 10.310 3.853 1.00 0.00 H new ATOM 0 HA VAL A 40 4.104 8.062 2.902 1.00 0.00 H new ATOM 0 HB VAL A 40 6.959 8.953 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.598 7.918 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.470 6.729 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.998 7.349 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.969 10.275 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.342 9.810 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.384 10.807 2.099 1.00 0.00 H new ATOM 389 N PHE A 41 6.822 7.339 4.646 1.00 0.00 N ATOM 390 CA PHE A 41 7.533 6.260 5.328 1.00 0.00 C ATOM 391 C PHE A 41 6.567 5.370 6.103 1.00 0.00 C ATOM 392 O PHE A 41 6.742 4.153 6.161 1.00 0.00 O ATOM 393 CB PHE A 41 8.586 6.834 6.276 1.00 0.00 C ATOM 394 CG PHE A 41 9.487 5.793 6.878 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.080 4.827 6.081 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.739 5.780 8.240 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.908 3.867 6.630 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.566 4.822 8.796 1.00 0.00 C ATOM 399 CZ PHE A 41 11.151 3.865 7.990 1.00 0.00 C ATOM 0 H PHE A 41 7.211 8.268 4.807 1.00 0.00 H new ATOM 0 HA PHE A 41 8.027 5.652 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.194 7.559 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.084 7.375 7.078 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.893 4.825 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.284 6.526 8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.364 3.120 5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.754 4.822 9.859 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.798 3.116 8.422 1.00 0.00 H new ATOM 409 N SER A 42 5.543 5.982 6.686 1.00 0.00 N ATOM 410 CA SER A 42 4.550 5.237 7.447 1.00 0.00 C ATOM 411 C SER A 42 3.622 4.482 6.502 1.00 0.00 C ATOM 412 O SER A 42 3.173 3.376 6.805 1.00 0.00 O ATOM 413 CB SER A 42 3.741 6.180 8.339 1.00 0.00 C ATOM 414 OG SER A 42 4.305 6.263 9.635 1.00 0.00 O ATOM 0 H SER A 42 5.380 6.988 6.646 1.00 0.00 H new ATOM 0 HA SER A 42 5.068 4.518 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.708 7.172 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.712 5.827 8.408 1.00 0.00 H new ATOM 0 HG SER A 42 3.771 6.873 10.186 1.00 0.00 H new ATOM 420 N LEU A 43 3.345 5.085 5.351 1.00 0.00 N ATOM 421 CA LEU A 43 2.477 4.469 4.357 1.00 0.00 C ATOM 422 C LEU A 43 3.157 3.258 3.731 1.00 0.00 C ATOM 423 O LEU A 43 2.531 2.219 3.526 1.00 0.00 O ATOM 424 CB LEU A 43 2.108 5.483 3.271 1.00 0.00 C ATOM 425 CG LEU A 43 0.740 5.268 2.621 1.00 0.00 C ATOM 426 CD1 LEU A 43 0.728 3.978 1.815 1.00 0.00 C ATOM 427 CD2 LEU A 43 -0.353 5.250 3.679 1.00 0.00 C ATOM 0 H LEU A 43 3.709 6.000 5.084 1.00 0.00 H new ATOM 0 HA LEU A 43 1.565 4.139 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.134 6.483 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.871 5.453 2.493 1.00 0.00 H new ATOM 0 HG LEU A 43 0.546 6.097 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.253 3.842 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.486 4.030 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.943 3.136 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.320 5.096 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.164 4.440 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.359 6.201 4.212 1.00 0.00 H new ATOM 439 N ILE A 44 4.445 3.398 3.436 1.00 0.00 N ATOM 440 CA ILE A 44 5.209 2.315 2.841 1.00 0.00 C ATOM 441 C ILE A 44 5.308 1.132 3.797 1.00 0.00 C ATOM 442 O ILE A 44 5.104 -0.014 3.401 1.00 0.00 O ATOM 443 CB ILE A 44 6.629 2.769 2.452 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.554 4.063 1.636 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.337 1.670 1.673 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.807 4.368 0.840 1.00 0.00 C ATOM 0 H ILE A 44 4.979 4.252 3.600 1.00 0.00 H new ATOM 0 HA ILE A 44 4.679 2.011 1.938 1.00 0.00 H new ATOM 0 HB ILE A 44 7.206 2.965 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.708 3.999 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.355 4.895 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.339 2.003 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.406 0.774 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.774 1.445 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.671 5.300 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.654 4.467 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.998 3.557 0.137 1.00 0.00 H new ATOM 458 N GLN A 45 5.614 1.421 5.056 1.00 0.00 N ATOM 459 CA GLN A 45 5.731 0.378 6.069 1.00 0.00 C ATOM 460 C GLN A 45 4.415 -0.375 6.222 1.00 0.00 C ATOM 461 O GLN A 45 4.403 -1.590 6.422 1.00 0.00 O ATOM 462 CB GLN A 45 6.147 0.982 7.410 1.00 0.00 C ATOM 463 CG GLN A 45 7.648 1.182 7.549 1.00 0.00 C ATOM 464 CD GLN A 45 8.238 0.400 8.707 1.00 0.00 C ATOM 465 OE1 GLN A 45 8.600 0.973 9.736 1.00 0.00 O ATOM 466 NE2 GLN A 45 8.339 -0.913 8.546 1.00 0.00 N ATOM 0 H GLN A 45 5.785 2.366 5.400 1.00 0.00 H new ATOM 0 HA GLN A 45 6.498 -0.326 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.648 1.943 7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.799 0.334 8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.138 0.879 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.858 2.243 7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.027 -1.346 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.729 -1.490 9.291 1.00 0.00 H new ATOM 475 N GLN A 46 3.308 0.353 6.125 1.00 0.00 N ATOM 476 CA GLN A 46 1.986 -0.249 6.248 1.00 0.00 C ATOM 477 C GLN A 46 1.699 -1.171 5.065 1.00 0.00 C ATOM 478 O GLN A 46 1.205 -2.286 5.236 1.00 0.00 O ATOM 479 CB GLN A 46 0.914 0.840 6.339 1.00 0.00 C ATOM 480 CG GLN A 46 0.010 0.704 7.553 1.00 0.00 C ATOM 481 CD GLN A 46 -1.361 0.160 7.201 1.00 0.00 C ATOM 482 OE1 GLN A 46 -2.257 0.910 6.815 1.00 0.00 O ATOM 483 NE2 GLN A 46 -1.530 -1.151 7.335 1.00 0.00 N ATOM 0 H GLN A 46 3.300 1.360 5.962 1.00 0.00 H new ATOM 0 HA GLN A 46 1.965 -0.844 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.400 1.815 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.303 0.813 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.482 0.045 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.101 1.678 8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.758 -1.734 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.431 -1.574 7.114 1.00 0.00 H new ATOM 492 N ALA A 47 2.013 -0.695 3.864 1.00 0.00 N ATOM 493 CA ALA A 47 1.790 -1.471 2.650 1.00 0.00 C ATOM 494 C ALA A 47 2.717 -2.682 2.590 1.00 0.00 C ATOM 495 O ALA A 47 2.289 -3.786 2.253 1.00 0.00 O ATOM 496 CB ALA A 47 1.981 -0.593 1.423 1.00 0.00 C ATOM 0 H ALA A 47 2.423 0.225 3.706 1.00 0.00 H new ATOM 0 HA ALA A 47 0.764 -1.837 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.812 -1.184 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.271 0.234 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.997 -0.199 1.412 1.00 0.00 H new ATOM 502 N VAL A 48 3.987 -2.469 2.921 1.00 0.00 N ATOM 503 CA VAL A 48 4.971 -3.548 2.911 1.00 0.00 C ATOM 504 C VAL A 48 4.501 -4.714 3.772 1.00 0.00 C ATOM 505 O VAL A 48 4.438 -5.856 3.314 1.00 0.00 O ATOM 506 CB VAL A 48 6.346 -3.059 3.414 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.349 -4.204 3.455 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.862 -1.929 2.539 1.00 0.00 C ATOM 0 H VAL A 48 4.359 -1.561 3.199 1.00 0.00 H new ATOM 0 HA VAL A 48 5.076 -3.882 1.879 1.00 0.00 H new ATOM 0 HB VAL A 48 6.221 -2.682 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.310 -3.834 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.987 -4.981 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.470 -4.618 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.832 -1.597 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.966 -2.282 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.159 -1.097 2.567 1.00 0.00 H new ATOM 518 N THR A 49 4.162 -4.415 5.021 1.00 0.00 N ATOM 519 CA THR A 49 3.684 -5.438 5.945 1.00 0.00 C ATOM 520 C THR A 49 2.460 -6.143 5.370 1.00 0.00 C ATOM 521 O THR A 49 2.339 -7.367 5.447 1.00 0.00 O ATOM 522 CB THR A 49 3.343 -4.812 7.298 1.00 0.00 C ATOM 523 OG1 THR A 49 4.470 -4.154 7.846 1.00 0.00 O ATOM 524 CG2 THR A 49 2.858 -5.819 8.319 1.00 0.00 C ATOM 0 H THR A 49 4.209 -3.476 5.417 1.00 0.00 H new ATOM 0 HA THR A 49 4.476 -6.173 6.088 1.00 0.00 H new ATOM 0 HB THR A 49 2.536 -4.108 7.094 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.569 -3.273 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.634 -5.308 9.256 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.957 -6.308 7.948 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.633 -6.566 8.490 1.00 0.00 H new ATOM 532 N ARG A 50 1.557 -5.360 4.787 1.00 0.00 N ATOM 533 CA ARG A 50 0.343 -5.904 4.191 1.00 0.00 C ATOM 534 C ARG A 50 0.683 -6.815 3.015 1.00 0.00 C ATOM 535 O ARG A 50 0.005 -7.814 2.777 1.00 0.00 O ATOM 536 CB ARG A 50 -0.573 -4.770 3.726 1.00 0.00 C ATOM 537 CG ARG A 50 -1.485 -4.239 4.821 1.00 0.00 C ATOM 538 CD ARG A 50 -2.937 -4.615 4.574 1.00 0.00 C ATOM 539 NE ARG A 50 -3.196 -6.024 4.861 1.00 0.00 N ATOM 540 CZ ARG A 50 -4.300 -6.666 4.488 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.251 -6.030 3.813 1.00 0.00 N ATOM 542 NH2 ARG A 50 -4.456 -7.947 4.791 1.00 0.00 N ATOM 0 H ARG A 50 1.644 -4.346 4.715 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.176 -6.492 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.039 -3.952 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.184 -5.124 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.165 -4.635 5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.394 -3.154 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.583 -3.994 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.194 -4.404 3.536 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.489 -6.546 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.137 -5.044 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.095 -6.528 3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.730 -8.440 5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.302 -8.439 4.505 1.00 0.00 H new ATOM 556 N TYR A 51 1.739 -6.467 2.286 1.00 0.00 N ATOM 557 CA TYR A 51 2.172 -7.257 1.137 1.00 0.00 C ATOM 558 C TYR A 51 2.530 -8.676 1.569 1.00 0.00 C ATOM 559 O TYR A 51 1.966 -9.647 1.068 1.00 0.00 O ATOM 560 CB TYR A 51 3.371 -6.585 0.455 1.00 0.00 C ATOM 561 CG TYR A 51 4.068 -7.457 -0.566 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.402 -7.904 -1.700 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.395 -7.831 -0.394 1.00 0.00 C ATOM 564 CE1 TYR A 51 4.038 -8.699 -2.633 1.00 0.00 C ATOM 565 CE2 TYR A 51 6.039 -8.626 -1.323 1.00 0.00 C ATOM 566 CZ TYR A 51 5.357 -9.057 -2.442 1.00 0.00 C ATOM 567 OH TYR A 51 5.993 -9.849 -3.369 1.00 0.00 O ATOM 0 H TYR A 51 2.311 -5.643 2.470 1.00 0.00 H new ATOM 0 HA TYR A 51 1.351 -7.313 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.033 -5.671 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.091 -6.290 1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.370 -7.625 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.932 -7.495 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.505 -9.039 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.071 -8.908 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 51 6.842 -9.433 -3.628 1.00 0.00 H new ATOM 577 N ARG A 52 3.468 -8.788 2.506 1.00 0.00 N ATOM 578 CA ARG A 52 3.898 -10.089 3.009 1.00 0.00 C ATOM 579 C ARG A 52 2.705 -10.910 3.494 1.00 0.00 C ATOM 580 O ARG A 52 2.596 -12.100 3.198 1.00 0.00 O ATOM 581 CB ARG A 52 4.900 -9.915 4.151 1.00 0.00 C ATOM 582 CG ARG A 52 6.095 -9.047 3.794 1.00 0.00 C ATOM 583 CD ARG A 52 7.070 -8.940 4.956 1.00 0.00 C ATOM 584 NE ARG A 52 6.615 -7.990 5.968 1.00 0.00 N ATOM 585 CZ ARG A 52 7.412 -7.443 6.883 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.703 -7.748 6.917 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.916 -6.588 7.767 1.00 0.00 N ATOM 0 H ARG A 52 3.945 -7.993 2.932 1.00 0.00 H new ATOM 0 HA ARG A 52 4.378 -10.622 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.388 -9.476 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.256 -10.897 4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.605 -9.466 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.752 -8.052 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.199 -9.921 5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.046 -8.631 4.582 1.00 0.00 H new ATOM 0 HE ARG A 52 5.629 -7.731 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.090 -8.405 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.309 -7.325 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.924 -6.350 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.526 -6.168 8.469 1.00 0.00 H new ATOM 601 N LYS A 53 1.816 -10.266 4.243 1.00 0.00 N ATOM 602 CA LYS A 53 0.634 -10.939 4.776 1.00 0.00 C ATOM 603 C LYS A 53 -0.369 -11.247 3.665 1.00 0.00 C ATOM 604 O LYS A 53 -1.077 -12.251 3.721 1.00 0.00 O ATOM 605 CB LYS A 53 -0.027 -10.078 5.853 1.00 0.00 C ATOM 606 CG LYS A 53 0.389 -10.451 7.268 1.00 0.00 C ATOM 607 CD LYS A 53 1.888 -10.300 7.471 1.00 0.00 C ATOM 608 CE LYS A 53 2.484 -11.501 8.189 1.00 0.00 C ATOM 609 NZ LYS A 53 3.603 -12.110 7.418 1.00 0.00 N ATOM 0 H LYS A 53 1.890 -9.280 4.495 1.00 0.00 H new ATOM 0 HA LYS A 53 0.954 -11.881 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.221 -9.032 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.110 -10.168 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.140 -9.819 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.096 -11.480 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.375 -10.176 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.088 -9.396 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.844 -11.195 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.707 -12.248 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.048 -12.860 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.235 -12.516 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.309 -11.380 7.195 1.00 0.00 H new ATOM 623 N ALA A 54 -0.424 -10.378 2.661 1.00 0.00 N ATOM 624 CA ALA A 54 -1.341 -10.564 1.542 1.00 0.00 C ATOM 625 C ALA A 54 -0.827 -11.630 0.582 1.00 0.00 C ATOM 626 O ALA A 54 -1.608 -12.309 -0.084 1.00 0.00 O ATOM 627 CB ALA A 54 -1.551 -9.248 0.808 1.00 0.00 C ATOM 0 H ALA A 54 0.154 -9.540 2.599 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.297 -10.902 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.237 -9.401 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.971 -8.512 1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.595 -8.887 0.428 1.00 0.00 H new ATOM 633 N VAL A 55 0.492 -11.772 0.517 1.00 0.00 N ATOM 634 CA VAL A 55 1.114 -12.757 -0.362 1.00 0.00 C ATOM 635 C VAL A 55 1.409 -14.064 0.376 1.00 0.00 C ATOM 636 O VAL A 55 1.872 -15.034 -0.228 1.00 0.00 O ATOM 637 CB VAL A 55 2.423 -12.214 -0.969 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.450 -11.943 0.121 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.976 -13.185 -2.002 1.00 0.00 C ATOM 0 H VAL A 55 1.152 -11.218 1.062 1.00 0.00 H new ATOM 0 HA VAL A 55 0.401 -12.957 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 55 2.203 -11.271 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.366 -11.561 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.054 -11.206 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.667 -12.868 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.900 -12.785 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.178 -14.145 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.246 -13.322 -2.800 1.00 0.00 H new ATOM 649 N ALA A 56 1.142 -14.089 1.679 1.00 0.00 N ATOM 650 CA ALA A 56 1.381 -15.279 2.490 1.00 0.00 C ATOM 651 C ALA A 56 2.874 -15.532 2.672 1.00 0.00 C ATOM 652 O ALA A 56 3.320 -16.680 2.702 1.00 0.00 O ATOM 653 CB ALA A 56 0.712 -16.495 1.864 1.00 0.00 C ATOM 0 H ALA A 56 0.760 -13.297 2.196 1.00 0.00 H new ATOM 0 HA ALA A 56 0.945 -15.106 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.901 -17.373 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.362 -16.324 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.118 -16.660 0.866 1.00 0.00 H new ATOM 659 N LYS A 57 3.644 -14.456 2.797 1.00 0.00 N ATOM 660 CA LYS A 57 5.086 -14.564 2.981 1.00 0.00 C ATOM 661 C LYS A 57 5.472 -14.279 4.428 1.00 0.00 C ATOM 662 O LYS A 57 4.609 -14.072 5.281 1.00 0.00 O ATOM 663 CB LYS A 57 5.815 -13.601 2.051 1.00 0.00 C ATOM 664 CG LYS A 57 6.078 -14.176 0.671 1.00 0.00 C ATOM 665 CD LYS A 57 6.566 -13.103 -0.284 1.00 0.00 C ATOM 666 CE LYS A 57 7.293 -13.703 -1.479 1.00 0.00 C ATOM 667 NZ LYS A 57 8.533 -12.947 -1.810 1.00 0.00 N ATOM 0 H LYS A 57 3.293 -13.499 2.774 1.00 0.00 H new ATOM 0 HA LYS A 57 5.381 -15.585 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.226 -12.690 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.765 -13.318 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.821 -14.971 0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.165 -14.626 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.718 -12.513 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.233 -12.422 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.547 -14.741 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.629 -13.708 -2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.102 -13.493 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.279 -12.031 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.085 -12.788 -0.943 1.00 0.00 H new ATOM 681 N ASP A 58 6.773 -14.268 4.699 1.00 0.00 N ATOM 682 CA ASP A 58 7.272 -14.005 6.044 1.00 0.00 C ATOM 683 C ASP A 58 8.638 -13.322 5.991 1.00 0.00 C ATOM 684 O ASP A 58 9.194 -13.116 4.915 1.00 0.00 O ATOM 685 CB ASP A 58 7.366 -15.314 6.836 1.00 0.00 C ATOM 686 CG ASP A 58 6.251 -15.458 7.855 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.578 -14.448 8.151 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.050 -16.585 8.356 1.00 0.00 O ATOM 0 H ASP A 58 7.501 -14.438 4.005 1.00 0.00 H new ATOM 0 HA ASP A 58 6.573 -13.336 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.333 -16.156 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.328 -15.358 7.346 1.00 0.00 H new ATOM 693 N PRO A 59 9.193 -12.953 7.158 1.00 0.00 N ATOM 694 CA PRO A 59 10.500 -12.284 7.238 1.00 0.00 C ATOM 695 C PRO A 59 11.647 -13.157 6.726 1.00 0.00 C ATOM 696 O PRO A 59 12.772 -12.681 6.566 1.00 0.00 O ATOM 697 CB PRO A 59 10.675 -12.003 8.738 1.00 0.00 C ATOM 698 CG PRO A 59 9.310 -12.126 9.323 1.00 0.00 C ATOM 699 CD PRO A 59 8.597 -13.149 8.488 1.00 0.00 C ATOM 0 HA PRO A 59 10.527 -11.390 6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.364 -12.714 9.194 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.087 -11.008 8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.359 -12.438 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.787 -11.170 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.760 -14.160 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.520 -12.984 8.477 1.00 0.00 H new ATOM 707 N ASN A 60 11.363 -14.436 6.479 1.00 0.00 N ATOM 708 CA ASN A 60 12.374 -15.374 5.990 1.00 0.00 C ATOM 709 C ASN A 60 13.216 -14.765 4.870 1.00 0.00 C ATOM 710 O ASN A 60 14.400 -15.072 4.736 1.00 0.00 O ATOM 711 CB ASN A 60 11.708 -16.659 5.498 1.00 0.00 C ATOM 712 CG ASN A 60 10.702 -16.403 4.395 1.00 0.00 C ATOM 713 OD1 ASN A 60 11.069 -16.199 3.238 1.00 0.00 O ATOM 714 ND2 ASN A 60 9.420 -16.412 4.746 1.00 0.00 N ATOM 0 H ASN A 60 10.439 -14.847 6.610 1.00 0.00 H new ATOM 0 HA ASN A 60 13.039 -15.604 6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.473 -17.346 5.136 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.209 -17.150 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.698 -16.246 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.158 -16.585 5.716 1.00 0.00 H new ATOM 721 N TYR A 61 12.598 -13.902 4.068 1.00 0.00 N ATOM 722 CA TYR A 61 13.300 -13.254 2.963 1.00 0.00 C ATOM 723 C TYR A 61 13.491 -11.764 3.240 1.00 0.00 C ATOM 724 O TYR A 61 12.829 -11.200 4.109 1.00 0.00 O ATOM 725 CB TYR A 61 12.536 -13.462 1.648 1.00 0.00 C ATOM 726 CG TYR A 61 11.289 -12.617 1.515 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.188 -12.834 2.334 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.210 -11.602 0.570 1.00 0.00 C ATOM 729 CE1 TYR A 61 9.049 -12.063 2.217 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.073 -10.827 0.445 1.00 0.00 C ATOM 731 CZ TYR A 61 8.995 -11.060 1.272 1.00 0.00 C ATOM 732 OH TYR A 61 7.859 -10.292 1.151 1.00 0.00 O ATOM 0 H TYR A 61 11.618 -13.636 4.161 1.00 0.00 H new ATOM 0 HA TYR A 61 14.285 -13.711 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.202 -13.240 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.260 -14.513 1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.224 -13.619 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.053 -11.415 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.203 -12.245 2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.029 -10.043 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 61 7.594 -10.247 0.209 1.00 0.00 H new ATOM 742 N TRP A 62 14.399 -11.134 2.501 1.00 0.00 N ATOM 743 CA TRP A 62 14.668 -9.711 2.680 1.00 0.00 C ATOM 744 C TRP A 62 13.762 -8.871 1.789 1.00 0.00 C ATOM 745 O TRP A 62 13.308 -9.334 0.740 1.00 0.00 O ATOM 746 CB TRP A 62 16.143 -9.400 2.385 1.00 0.00 C ATOM 747 CG TRP A 62 16.394 -8.874 1.000 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.076 -9.485 -0.178 1.00 0.00 C ATOM 749 CD2 TRP A 62 17.006 -7.627 0.651 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.466 -8.705 -1.237 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.038 -7.557 -0.756 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.534 -6.566 1.389 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.577 -6.469 -1.435 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.065 -5.485 0.712 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.083 -5.444 -0.687 1.00 0.00 C ATOM 0 H TRP A 62 14.958 -11.583 1.776 1.00 0.00 H new ATOM 0 HA TRP A 62 14.459 -9.456 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.501 -8.669 3.110 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.730 -10.307 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.588 -10.444 -0.264 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.349 -8.941 -2.222 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.527 -6.590 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.595 -6.436 -2.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.473 -4.657 1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.506 -4.584 -1.185 1.00 0.00 H new ATOM 766 N ILE A 63 13.515 -7.633 2.212 1.00 0.00 N ATOM 767 CA ILE A 63 12.675 -6.721 1.450 1.00 0.00 C ATOM 768 C ILE A 63 13.194 -5.289 1.540 1.00 0.00 C ATOM 769 O ILE A 63 13.119 -4.653 2.591 1.00 0.00 O ATOM 770 CB ILE A 63 11.213 -6.754 1.940 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.651 -8.171 1.830 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.354 -5.777 1.145 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.294 -8.332 2.479 1.00 0.00 C ATOM 0 H ILE A 63 13.886 -7.242 3.078 1.00 0.00 H new ATOM 0 HA ILE A 63 12.710 -7.056 0.413 1.00 0.00 H new ATOM 0 HB ILE A 63 11.194 -6.450 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.576 -8.443 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.351 -8.868 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.327 -5.817 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.743 -4.766 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.377 -6.048 0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.955 -9.362 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.367 -8.091 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.581 -7.660 2.002 1.00 0.00 H new ATOM 785 N GLN A 64 13.707 -4.785 0.423 1.00 0.00 N ATOM 786 CA GLN A 64 14.224 -3.424 0.363 1.00 0.00 C ATOM 787 C GLN A 64 13.268 -2.530 -0.419 1.00 0.00 C ATOM 788 O GLN A 64 13.238 -2.563 -1.650 1.00 0.00 O ATOM 789 CB GLN A 64 15.608 -3.407 -0.288 1.00 0.00 C ATOM 790 CG GLN A 64 16.695 -2.838 0.608 1.00 0.00 C ATOM 791 CD GLN A 64 16.545 -1.345 0.831 1.00 0.00 C ATOM 792 OE1 GLN A 64 15.709 -0.902 1.619 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.357 -0.560 0.132 1.00 0.00 N ATOM 0 H GLN A 64 13.776 -5.300 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 64 14.311 -3.042 1.380 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.879 -4.424 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.561 -2.821 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.672 -3.349 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.670 -3.039 0.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.035 -0.970 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.302 0.453 0.237 1.00 0.00 H new ATOM 802 N VAL A 65 12.485 -1.736 0.301 1.00 0.00 N ATOM 803 CA VAL A 65 11.525 -0.839 -0.330 1.00 0.00 C ATOM 804 C VAL A 65 12.213 0.416 -0.855 1.00 0.00 C ATOM 805 O VAL A 65 12.412 1.382 -0.116 1.00 0.00 O ATOM 806 CB VAL A 65 10.404 -0.429 0.650 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.241 0.202 -0.100 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.931 -1.629 1.464 1.00 0.00 C ATOM 0 H VAL A 65 12.496 -1.695 1.320 1.00 0.00 H new ATOM 0 HA VAL A 65 11.082 -1.384 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 65 10.809 0.311 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.462 0.484 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.588 1.089 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.839 -0.514 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.141 -1.317 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.547 -2.396 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.767 -2.033 2.035 1.00 0.00 H new ATOM 818 N HIS A 66 12.575 0.397 -2.135 1.00 0.00 N ATOM 819 CA HIS A 66 13.244 1.537 -2.757 1.00 0.00 C ATOM 820 C HIS A 66 12.448 2.822 -2.547 1.00 0.00 C ATOM 821 O HIS A 66 12.859 3.703 -1.790 1.00 0.00 O ATOM 822 CB HIS A 66 13.441 1.286 -4.252 1.00 0.00 C ATOM 823 CG HIS A 66 14.387 0.164 -4.551 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.751 0.263 -4.374 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.159 -1.086 -5.019 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.321 -0.878 -4.719 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.377 -1.713 -5.114 1.00 0.00 N ATOM 0 H HIS A 66 12.417 -0.393 -2.761 1.00 0.00 H new ATOM 0 HA HIS A 66 14.218 1.654 -2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.475 1.066 -4.706 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.812 2.198 -4.719 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.198 -1.511 -5.271 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.379 -1.092 -4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.528 -2.669 -5.437 1.00 0.00 H new ATOM 836 N ARG A 67 11.310 2.923 -3.221 1.00 0.00 N ATOM 837 CA ARG A 67 10.456 4.099 -3.112 1.00 0.00 C ATOM 838 C ARG A 67 9.143 3.888 -3.862 1.00 0.00 C ATOM 839 O ARG A 67 8.901 2.818 -4.419 1.00 0.00 O ATOM 840 CB ARG A 67 11.177 5.333 -3.658 1.00 0.00 C ATOM 841 CG ARG A 67 11.785 5.122 -5.035 1.00 0.00 C ATOM 842 CD ARG A 67 13.062 5.930 -5.208 1.00 0.00 C ATOM 843 NE ARG A 67 14.255 5.141 -4.907 1.00 0.00 N ATOM 844 CZ ARG A 67 15.444 5.673 -4.635 1.00 0.00 C ATOM 845 NH1 ARG A 67 15.605 6.991 -4.626 1.00 0.00 N ATOM 846 NH2 ARG A 67 16.476 4.883 -4.370 1.00 0.00 N ATOM 0 H ARG A 67 10.956 2.203 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 67 10.231 4.257 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.473 6.164 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.965 5.621 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.000 4.063 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.064 5.410 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.121 6.300 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.030 6.802 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 67 14.171 4.124 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.814 7.603 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.519 7.392 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.357 3.870 -4.375 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.388 5.289 -4.161 1.00 0.00 H new ATOM 860 N LEU A 68 8.299 4.917 -3.873 1.00 0.00 N ATOM 861 CA LEU A 68 7.012 4.838 -4.557 1.00 0.00 C ATOM 862 C LEU A 68 6.946 5.832 -5.712 1.00 0.00 C ATOM 863 O LEU A 68 7.705 6.801 -5.755 1.00 0.00 O ATOM 864 CB LEU A 68 5.870 5.103 -3.574 1.00 0.00 C ATOM 865 CG LEU A 68 6.055 4.492 -2.184 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.096 5.127 -1.188 1.00 0.00 C ATOM 867 CD2 LEU A 68 5.858 2.985 -2.237 1.00 0.00 C ATOM 0 H LEU A 68 8.482 5.811 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 68 6.907 3.832 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.747 6.181 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.945 4.717 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 68 7.073 4.693 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.243 4.679 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.288 6.198 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.069 4.959 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.993 2.565 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.852 2.762 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.588 2.546 -2.917 1.00 0.00 H new ATOM 879 N GLU A 69 6.033 5.585 -6.646 1.00 0.00 N ATOM 880 CA GLU A 69 5.865 6.456 -7.801 1.00 0.00 C ATOM 881 C GLU A 69 4.387 6.695 -8.094 1.00 0.00 C ATOM 882 O GLU A 69 3.557 5.804 -7.913 1.00 0.00 O ATOM 883 CB GLU A 69 6.550 5.848 -9.028 1.00 0.00 C ATOM 884 CG GLU A 69 7.851 6.537 -9.403 1.00 0.00 C ATOM 885 CD GLU A 69 8.420 6.037 -10.716 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.350 4.816 -10.966 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.935 6.866 -11.496 1.00 0.00 O ATOM 0 H GLU A 69 5.398 4.787 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 69 6.329 7.415 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.749 4.793 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.866 5.895 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.682 7.612 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.583 6.379 -8.611 1.00 0.00 H new ATOM 894 N HIS A 70 4.065 7.902 -8.548 1.00 0.00 N ATOM 895 CA HIS A 70 2.684 8.256 -8.864 1.00 0.00 C ATOM 896 C HIS A 70 2.179 7.450 -10.058 1.00 0.00 C ATOM 897 O HIS A 70 0.990 7.145 -10.154 1.00 0.00 O ATOM 898 CB HIS A 70 2.574 9.754 -9.157 1.00 0.00 C ATOM 899 CG HIS A 70 1.966 10.538 -8.036 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.678 10.338 -7.588 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.478 11.530 -7.269 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.424 11.172 -6.595 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.501 11.905 -6.382 1.00 0.00 N ATOM 0 H HIS A 70 4.739 8.651 -8.705 1.00 0.00 H new ATOM 0 HA HIS A 70 2.064 8.018 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.568 10.149 -9.369 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.976 9.897 -10.057 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.023 9.653 -7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.471 11.948 -7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.506 11.242 -6.051 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.592 12.632 -5.673 1.00 0.00 H new ATOM 912 N GLY A 71 3.088 7.110 -10.965 1.00 0.00 N ATOM 913 CA GLY A 71 2.714 6.345 -12.139 1.00 0.00 C ATOM 914 C GLY A 71 3.547 6.704 -13.353 1.00 0.00 C ATOM 915 O GLY A 71 3.913 5.833 -14.145 1.00 0.00 O ATOM 0 H GLY A 71 4.078 7.351 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.826 5.282 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.661 6.517 -12.361 1.00 0.00 H new ATOM 919 N ASP A 72 3.849 7.989 -13.502 1.00 0.00 N ATOM 920 CA ASP A 72 4.644 8.464 -14.629 1.00 0.00 C ATOM 921 C ASP A 72 5.000 9.937 -14.458 1.00 0.00 C ATOM 922 O ASP A 72 5.050 10.691 -15.430 1.00 0.00 O ATOM 923 CB ASP A 72 3.882 8.259 -15.940 1.00 0.00 C ATOM 924 CG ASP A 72 2.577 9.029 -15.977 1.00 0.00 C ATOM 925 OD1 ASP A 72 1.775 8.880 -15.032 1.00 0.00 O ATOM 926 OD2 ASP A 72 2.358 9.778 -16.951 1.00 0.00 O ATOM 0 H ASP A 72 3.555 8.721 -12.856 1.00 0.00 H new ATOM 0 HA ASP A 72 5.568 7.886 -14.661 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.509 8.573 -16.774 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.678 7.197 -16.076 1.00 0.00 H new ATOM 931 N GLY A 73 5.246 10.340 -13.216 1.00 0.00 N ATOM 932 CA GLY A 73 5.594 11.721 -12.939 1.00 0.00 C ATOM 933 C GLY A 73 5.151 12.163 -11.558 1.00 0.00 C ATOM 934 O GLY A 73 4.199 12.930 -11.420 1.00 0.00 O ATOM 0 H GLY A 73 5.211 9.734 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.673 11.846 -13.029 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.135 12.366 -13.688 1.00 0.00 H new ATOM 938 N GLY A 74 5.845 11.678 -10.533 1.00 0.00 N ATOM 939 CA GLY A 74 5.503 12.039 -9.169 1.00 0.00 C ATOM 940 C GLY A 74 6.003 11.024 -8.160 1.00 0.00 C ATOM 941 O GLY A 74 5.211 10.371 -7.482 1.00 0.00 O ATOM 0 H GLY A 74 6.637 11.042 -10.622 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.927 13.016 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.421 12.132 -9.081 1.00 0.00 H new ATOM 945 N ILE A 75 7.321 10.890 -8.062 1.00 0.00 N ATOM 946 CA ILE A 75 7.926 9.948 -7.130 1.00 0.00 C ATOM 947 C ILE A 75 7.653 10.348 -5.684 1.00 0.00 C ATOM 948 O ILE A 75 7.367 11.510 -5.394 1.00 0.00 O ATOM 949 CB ILE A 75 9.451 9.845 -7.339 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.775 9.706 -8.829 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.012 8.669 -6.551 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.235 9.425 -9.113 1.00 0.00 C ATOM 0 H ILE A 75 7.991 11.423 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 75 7.472 8.977 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 75 9.919 10.758 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.171 8.901 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.485 10.623 -9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.089 8.607 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.807 8.811 -5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.543 7.746 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.386 9.340 -10.189 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.845 10.241 -8.724 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.527 8.492 -8.630 1.00 0.00 H new ATOM 964 N LEU A 76 7.744 9.377 -4.781 1.00 0.00 N ATOM 965 CA LEU A 76 7.507 9.625 -3.364 1.00 0.00 C ATOM 966 C LEU A 76 8.607 8.995 -2.513 1.00 0.00 C ATOM 967 O LEU A 76 8.912 7.809 -2.653 1.00 0.00 O ATOM 968 CB LEU A 76 6.144 9.072 -2.945 1.00 0.00 C ATOM 969 CG LEU A 76 4.985 9.427 -3.878 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.892 8.428 -5.021 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.676 9.479 -3.104 1.00 0.00 C ATOM 0 H LEU A 76 7.980 8.411 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 76 7.516 10.703 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.215 7.987 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.911 9.440 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 76 5.174 10.413 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.062 8.698 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.821 8.441 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.727 7.429 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.862 9.733 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.482 8.506 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.746 10.235 -2.322 1.00 0.00 H new ATOM 983 N ASP A 77 9.196 9.797 -1.632 1.00 0.00 N ATOM 984 CA ASP A 77 10.262 9.320 -0.756 1.00 0.00 C ATOM 985 C ASP A 77 9.699 8.891 0.595 1.00 0.00 C ATOM 986 O ASP A 77 8.489 8.728 0.750 1.00 0.00 O ATOM 987 CB ASP A 77 11.315 10.413 -0.560 1.00 0.00 C ATOM 988 CG ASP A 77 11.724 11.064 -1.868 1.00 0.00 C ATOM 989 OD1 ASP A 77 10.960 11.914 -2.372 1.00 0.00 O ATOM 990 OD2 ASP A 77 12.807 10.724 -2.387 1.00 0.00 O ATOM 0 H ASP A 77 8.954 10.780 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 77 10.730 8.456 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.923 11.174 0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.195 9.984 -0.080 1.00 0.00 H new ATOM 995 N LEU A 78 10.582 8.707 1.571 1.00 0.00 N ATOM 996 CA LEU A 78 10.169 8.296 2.908 1.00 0.00 C ATOM 997 C LEU A 78 10.408 9.413 3.921 1.00 0.00 C ATOM 998 O LEU A 78 10.902 9.173 5.022 1.00 0.00 O ATOM 999 CB LEU A 78 10.929 7.037 3.336 1.00 0.00 C ATOM 1000 CG LEU A 78 11.182 6.019 2.220 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.560 6.231 1.611 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.044 4.599 2.750 1.00 0.00 C ATOM 0 H LEU A 78 11.588 8.836 1.461 1.00 0.00 H new ATOM 0 HA LEU A 78 9.102 8.078 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.889 7.337 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.370 6.547 4.133 1.00 0.00 H new ATOM 0 HG LEU A 78 10.434 6.167 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.724 5.500 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.623 7.236 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.321 6.109 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.227 3.890 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.769 4.436 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.037 4.452 3.140 1.00 0.00 H new ATOM 1014 N ASP A 79 10.052 10.638 3.542 1.00 0.00 N ATOM 1015 CA ASP A 79 10.229 11.789 4.420 1.00 0.00 C ATOM 1016 C ASP A 79 9.273 12.919 4.050 1.00 0.00 C ATOM 1017 O ASP A 79 9.557 14.090 4.303 1.00 0.00 O ATOM 1018 CB ASP A 79 11.675 12.285 4.356 1.00 0.00 C ATOM 1019 CG ASP A 79 12.196 12.726 5.709 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.402 13.275 6.500 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.399 12.521 5.977 1.00 0.00 O ATOM 0 H ASP A 79 9.640 10.858 2.635 1.00 0.00 H new ATOM 0 HA ASP A 79 10.003 11.472 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.312 11.491 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.740 13.118 3.656 1.00 0.00 H new ATOM 1026 N ASP A 80 8.140 12.564 3.451 1.00 0.00 N ATOM 1027 CA ASP A 80 7.146 13.553 3.052 1.00 0.00 C ATOM 1028 C ASP A 80 5.737 13.074 3.392 1.00 0.00 C ATOM 1029 O ASP A 80 5.440 11.884 3.309 1.00 0.00 O ATOM 1030 CB ASP A 80 7.253 13.838 1.551 1.00 0.00 C ATOM 1031 CG ASP A 80 7.048 15.304 1.224 1.00 0.00 C ATOM 1032 OD1 ASP A 80 6.467 16.024 2.065 1.00 0.00 O ATOM 1033 OD2 ASP A 80 7.467 15.732 0.129 1.00 0.00 O ATOM 0 H ASP A 80 7.888 11.600 3.232 1.00 0.00 H new ATOM 0 HA ASP A 80 7.341 14.473 3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.233 13.523 1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.512 13.243 1.017 1.00 0.00 H new ATOM 1038 N ILE A 81 4.876 14.010 3.781 1.00 0.00 N ATOM 1039 CA ILE A 81 3.503 13.684 4.137 1.00 0.00 C ATOM 1040 C ILE A 81 2.780 12.980 2.995 1.00 0.00 C ATOM 1041 O ILE A 81 3.159 13.106 1.831 1.00 0.00 O ATOM 1042 CB ILE A 81 2.730 14.950 4.544 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.289 15.474 5.859 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.238 14.665 4.673 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.075 14.516 7.009 1.00 0.00 C ATOM 0 H ILE A 81 5.107 15.001 3.857 1.00 0.00 H new ATOM 0 HA ILE A 81 3.542 13.002 4.987 1.00 0.00 H new ATOM 0 HB ILE A 81 2.854 15.705 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.356 15.665 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.818 16.428 6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.717 15.578 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.851 14.313 3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.078 13.900 5.433 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.494 14.942 7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.007 14.345 7.146 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.569 13.569 6.791 1.00 0.00 H new ATOM 1057 N LEU A 82 1.740 12.232 3.345 1.00 0.00 N ATOM 1058 CA LEU A 82 0.964 11.497 2.357 1.00 0.00 C ATOM 1059 C LEU A 82 0.059 12.431 1.557 1.00 0.00 C ATOM 1060 O LEU A 82 0.050 12.396 0.328 1.00 0.00 O ATOM 1061 CB LEU A 82 0.124 10.415 3.036 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.645 9.501 2.082 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.316 8.647 1.272 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.619 8.626 2.853 1.00 0.00 C ATOM 0 H LEU A 82 1.416 12.119 4.306 1.00 0.00 H new ATOM 0 HA LEU A 82 1.665 11.026 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.780 9.801 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.588 10.896 3.707 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.215 10.123 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.249 8.003 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.974 9.292 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.913 8.033 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.158 7.982 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.070 8.011 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.329 9.256 3.388 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.705 13.258 2.261 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.618 14.195 1.613 1.00 0.00 C ATOM 1078 C CYS A 83 -0.868 15.157 0.694 1.00 0.00 C ATOM 1079 O CYS A 83 -1.462 15.761 -0.200 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.399 14.986 2.663 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.856 15.838 2.011 1.00 0.00 S ATOM 0 H CYS A 83 -0.711 13.300 3.280 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.313 13.615 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.713 14.306 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.735 15.721 3.118 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.452 16.477 2.973 1.00 0.00 H new ATOM 1087 N ASP A 84 0.434 15.301 0.918 1.00 0.00 N ATOM 1088 CA ASP A 84 1.251 16.197 0.109 1.00 0.00 C ATOM 1089 C ASP A 84 1.746 15.506 -1.159 1.00 0.00 C ATOM 1090 O ASP A 84 1.464 15.953 -2.272 1.00 0.00 O ATOM 1091 CB ASP A 84 2.443 16.705 0.922 1.00 0.00 C ATOM 1092 CG ASP A 84 2.084 17.895 1.791 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.095 19.033 1.276 1.00 0.00 O ATOM 1094 OD2 ASP A 84 1.794 17.688 2.989 1.00 0.00 O ATOM 0 H ASP A 84 0.945 14.810 1.652 1.00 0.00 H new ATOM 0 HA ASP A 84 0.627 17.041 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.820 15.899 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.250 16.984 0.244 1.00 0.00 H new ATOM 1099 N VAL A 85 2.492 14.420 -0.985 1.00 0.00 N ATOM 1100 CA VAL A 85 3.034 13.675 -2.118 1.00 0.00 C ATOM 1101 C VAL A 85 1.968 12.814 -2.794 1.00 0.00 C ATOM 1102 O VAL A 85 2.159 12.356 -3.920 1.00 0.00 O ATOM 1103 CB VAL A 85 4.205 12.774 -1.684 1.00 0.00 C ATOM 1104 CG1 VAL A 85 5.396 13.618 -1.255 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.775 11.833 -0.567 1.00 0.00 C ATOM 0 H VAL A 85 2.735 14.036 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 85 3.392 14.416 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 85 4.507 12.167 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.214 12.965 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.719 14.241 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.109 14.253 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.617 11.205 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.442 12.416 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.957 11.203 -0.917 1.00 0.00 H new ATOM 1115 N ALA A 86 0.852 12.591 -2.106 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.228 11.780 -2.656 1.00 0.00 C ATOM 1117 C ALA A 86 -1.576 12.471 -2.494 1.00 0.00 C ATOM 1118 O ALA A 86 -1.676 13.524 -1.865 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.252 10.413 -1.986 1.00 0.00 C ATOM 0 H ALA A 86 0.673 12.959 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.043 11.651 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.063 9.817 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.698 9.907 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.408 10.536 -0.914 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.613 11.870 -3.069 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.962 12.422 -2.990 1.00 0.00 C ATOM 1127 C ASP A 87 -4.981 11.326 -2.700 1.00 0.00 C ATOM 1128 O ASP A 87 -4.751 10.156 -3.004 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.319 13.136 -4.295 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.602 13.937 -4.183 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.570 15.025 -3.570 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.637 13.477 -4.709 1.00 0.00 O ATOM 0 H ASP A 87 -2.545 10.999 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.987 13.142 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.502 13.800 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.422 12.400 -5.092 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.109 11.713 -2.110 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.166 10.763 -1.777 1.00 0.00 C ATOM 1139 C ASP A 88 -7.562 9.933 -2.995 1.00 0.00 C ATOM 1140 O ASP A 88 -7.822 10.472 -4.070 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.390 11.502 -1.232 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.281 10.606 -0.392 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.772 9.605 0.153 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -10.488 10.908 -0.280 1.00 0.00 O ATOM 0 H ASP A 88 -6.314 12.678 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.783 10.089 -1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.061 12.349 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.967 11.906 -2.064 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.604 8.615 -2.818 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.965 7.708 -3.901 1.00 0.00 C ATOM 1151 C LYS A 89 -7.008 7.862 -5.080 1.00 0.00 C ATOM 1152 O LYS A 89 -7.398 8.312 -6.159 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.409 7.963 -4.346 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.313 6.751 -4.203 1.00 0.00 C ATOM 1155 CD LYS A 89 -9.938 5.654 -5.191 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.283 4.474 -4.492 1.00 0.00 C ATOM 1157 NZ LYS A 89 -8.901 3.402 -5.454 1.00 0.00 N ATOM 0 H LYS A 89 -7.392 8.152 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.887 6.685 -3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.821 8.784 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.408 8.284 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.246 6.364 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.349 7.048 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.831 5.316 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.258 6.056 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.396 4.815 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.967 4.067 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.458 2.615 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.750 3.059 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.228 3.783 -6.149 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.752 7.486 -4.867 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.737 7.583 -5.912 1.00 0.00 C ATOM 1173 C ASP A 90 -3.947 6.283 -6.030 1.00 0.00 C ATOM 1174 O ASP A 90 -3.865 5.508 -5.078 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.786 8.746 -5.621 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.098 9.258 -6.871 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.807 9.701 -7.799 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.852 9.215 -6.924 1.00 0.00 O ATOM 0 H ASP A 90 -5.411 7.111 -3.981 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.245 7.764 -6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.343 9.560 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.033 8.425 -4.901 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.369 6.054 -7.204 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.584 4.847 -7.447 1.00 0.00 C ATOM 1185 C ARG A 91 -1.091 5.157 -7.422 1.00 0.00 C ATOM 1186 O ARG A 91 -0.660 6.225 -7.858 1.00 0.00 O ATOM 1187 CB ARG A 91 -2.966 4.228 -8.793 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.465 4.045 -8.974 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.019 4.984 -10.034 1.00 0.00 C ATOM 1190 NE ARG A 91 -5.336 6.302 -9.486 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.493 7.395 -10.229 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -5.364 7.333 -11.550 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.779 8.553 -9.651 1.00 0.00 N ATOM 0 H ARG A 91 -3.428 6.687 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.803 4.134 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.586 4.860 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.475 3.260 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.675 3.013 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.971 4.226 -8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.292 5.091 -10.839 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.917 4.548 -10.471 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.443 6.389 -8.475 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.144 6.444 -12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.485 8.174 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.879 8.606 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.899 9.391 -10.220 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.304 4.217 -6.908 1.00 0.00 N ATOM 1208 CA LEU A 92 1.143 4.390 -6.826 1.00 0.00 C ATOM 1209 C LEU A 92 1.866 3.069 -7.067 1.00 0.00 C ATOM 1210 O LEU A 92 1.383 2.005 -6.679 1.00 0.00 O ATOM 1211 CB LEU A 92 1.535 4.953 -5.457 1.00 0.00 C ATOM 1212 CG LEU A 92 0.740 6.180 -5.006 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.855 6.367 -3.501 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.223 7.424 -5.737 1.00 0.00 C ATOM 0 H LEU A 92 -0.643 3.328 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 92 1.441 5.095 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.415 4.168 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.593 5.213 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.310 6.021 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.283 7.244 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.463 5.486 -2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.902 6.505 -3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.647 8.288 -5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.279 7.586 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.089 7.290 -6.810 1.00 0.00 H new ATOM 1226 N VAL A 93 3.029 3.146 -7.706 1.00 0.00 N ATOM 1227 CA VAL A 93 3.824 1.957 -7.995 1.00 0.00 C ATOM 1228 C VAL A 93 4.932 1.780 -6.962 1.00 0.00 C ATOM 1229 O VAL A 93 5.791 2.648 -6.803 1.00 0.00 O ATOM 1230 CB VAL A 93 4.452 2.030 -9.399 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.112 0.706 -9.758 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.404 2.410 -10.434 1.00 0.00 C ATOM 0 H VAL A 93 3.442 4.019 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 93 3.149 1.102 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 93 5.220 2.803 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.550 0.776 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.893 0.480 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.365 -0.088 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.866 2.457 -11.420 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.611 1.662 -10.440 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.983 3.384 -10.185 1.00 0.00 H new ATOM 1242 N ALA A 94 4.903 0.654 -6.258 1.00 0.00 N ATOM 1243 CA ALA A 94 5.903 0.367 -5.236 1.00 0.00 C ATOM 1244 C ALA A 94 7.036 -0.489 -5.787 1.00 0.00 C ATOM 1245 O ALA A 94 6.812 -1.600 -6.272 1.00 0.00 O ATOM 1246 CB ALA A 94 5.257 -0.316 -4.041 1.00 0.00 C ATOM 0 H ALA A 94 4.199 -0.074 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 94 6.331 1.316 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.016 -0.524 -3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.494 0.337 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.798 -1.251 -4.361 1.00 0.00 H new ATOM 1252 N VAL A 95 8.256 0.035 -5.701 1.00 0.00 N ATOM 1253 CA VAL A 95 9.434 -0.675 -6.181 1.00 0.00 C ATOM 1254 C VAL A 95 10.311 -1.117 -5.015 1.00 0.00 C ATOM 1255 O VAL A 95 10.783 -0.292 -4.230 1.00 0.00 O ATOM 1256 CB VAL A 95 10.268 0.198 -7.138 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.380 -0.619 -7.776 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.378 0.824 -8.201 1.00 0.00 C ATOM 0 H VAL A 95 8.453 0.953 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 95 9.081 -1.552 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 95 10.726 1.001 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.958 0.015 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.034 -1.013 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.947 -1.445 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.984 1.437 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.889 0.037 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.622 1.447 -7.722 1.00 0.00 H new ATOM 1268 N PHE A 96 10.523 -2.421 -4.899 1.00 0.00 N ATOM 1269 CA PHE A 96 11.338 -2.965 -3.821 1.00 0.00 C ATOM 1270 C PHE A 96 12.068 -4.226 -4.267 1.00 0.00 C ATOM 1271 O PHE A 96 11.812 -4.760 -5.347 1.00 0.00 O ATOM 1272 CB PHE A 96 10.462 -3.278 -2.606 1.00 0.00 C ATOM 1273 CG PHE A 96 9.461 -4.368 -2.857 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.363 -4.141 -3.669 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.618 -5.619 -2.281 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.439 -5.140 -3.903 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.697 -6.624 -2.512 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.605 -6.383 -3.325 1.00 0.00 C ATOM 0 H PHE A 96 10.143 -3.121 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 96 12.081 -2.215 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.101 -3.567 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.935 -2.373 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.228 -3.171 -4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.469 -5.811 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.587 -4.949 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.830 -7.595 -2.058 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.883 -7.165 -3.508 1.00 0.00 H new ATOM 1288 N ASP A 97 12.974 -4.701 -3.421 1.00 0.00 N ATOM 1289 CA ASP A 97 13.741 -5.905 -3.709 1.00 0.00 C ATOM 1290 C ASP A 97 13.382 -7.004 -2.715 1.00 0.00 C ATOM 1291 O ASP A 97 13.309 -6.757 -1.515 1.00 0.00 O ATOM 1292 CB ASP A 97 15.239 -5.608 -3.643 1.00 0.00 C ATOM 1293 CG ASP A 97 15.865 -5.478 -5.016 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.551 -4.495 -5.722 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.668 -6.358 -5.389 1.00 0.00 O ATOM 0 H ASP A 97 13.196 -4.267 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 97 13.495 -6.243 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.399 -4.685 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.740 -6.404 -3.093 1.00 0.00 H new ATOM 1300 N GLU A 98 13.153 -8.211 -3.217 1.00 0.00 N ATOM 1301 CA GLU A 98 12.795 -9.331 -2.359 1.00 0.00 C ATOM 1302 C GLU A 98 13.602 -10.574 -2.710 1.00 0.00 C ATOM 1303 O GLU A 98 13.808 -10.881 -3.885 1.00 0.00 O ATOM 1304 CB GLU A 98 11.300 -9.631 -2.474 1.00 0.00 C ATOM 1305 CG GLU A 98 10.827 -9.828 -3.905 1.00 0.00 C ATOM 1306 CD GLU A 98 9.468 -10.498 -3.984 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.482 -9.895 -3.513 1.00 0.00 O ATOM 1308 OE2 GLU A 98 9.393 -11.625 -4.516 1.00 0.00 O ATOM 0 H GLU A 98 13.209 -8.438 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 98 13.027 -9.052 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.073 -10.528 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.738 -8.813 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.780 -8.860 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.557 -10.431 -4.445 1.00 0.00 H new ATOM 1315 N GLN A 99 14.054 -11.290 -1.685 1.00 0.00 N ATOM 1316 CA GLN A 99 14.835 -12.505 -1.895 1.00 0.00 C ATOM 1317 C GLN A 99 13.968 -13.746 -1.703 1.00 0.00 C ATOM 1318 O GLN A 99 14.135 -14.490 -0.736 1.00 0.00 O ATOM 1319 CB GLN A 99 16.039 -12.550 -0.949 1.00 0.00 C ATOM 1320 CG GLN A 99 16.845 -13.836 -1.042 1.00 0.00 C ATOM 1321 CD GLN A 99 17.148 -14.436 0.318 1.00 0.00 C ATOM 1322 OE1 GLN A 99 16.997 -15.639 0.526 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.579 -13.597 1.252 1.00 0.00 N ATOM 0 H GLN A 99 13.894 -11.052 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 99 15.202 -12.493 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.693 -11.706 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.689 -12.425 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.295 -14.562 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.781 -13.636 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.690 -12.606 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.799 -13.943 2.186 1.00 0.00 H new ATOM 1332 N ASP A 100 13.045 -13.965 -2.632 1.00 0.00 N ATOM 1333 CA ASP A 100 12.153 -15.117 -2.568 1.00 0.00 C ATOM 1334 C ASP A 100 12.945 -16.420 -2.592 1.00 0.00 C ATOM 1335 O ASP A 100 12.582 -17.347 -1.834 1.00 0.00 O ATOM 1336 CB ASP A 100 11.163 -15.087 -3.733 1.00 0.00 C ATOM 1337 CG ASP A 100 9.891 -15.856 -3.430 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.988 -17.051 -3.082 1.00 0.00 O ATOM 1339 OD2 ASP A 100 8.798 -15.263 -3.541 1.00 0.00 O ATOM 1340 OXT ASP A 100 13.920 -16.506 -3.368 1.00 0.00 O ATOM 0 H ASP A 100 12.894 -13.360 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 100 11.601 -15.066 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.912 -14.052 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.637 -15.508 -4.620 1.00 0.00 H new