USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 804 hydrogens (21 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 73 GLN : amide:sc= 0.272 X(o=0.36,f=0.085) USER MOD Set 1.2: A 74 TYR OH : rot -147:sc= 0.0856 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.851 K(o=-0.62,f=-11!) USER MOD Set 2.2: A 71 THR OG1 : rot 112:sc= 0.228 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.719 (180deg=-0.21) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc=-0.00532 USER MOD Single : A 4 THR OG1 : rot -140:sc= 0 USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.827 USER MOD Single : A 15 THR OG1 : rot 78:sc= 0.504 USER MOD Single : A 16 CYS SG : rot -30:sc= -0.747 USER MOD Single : A 22 THR OG1 : rot -8:sc= 0.75 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 27 SER OG : rot 70:sc= 0.207 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -116:sc= 0.259 (180deg=-0.208) USER MOD Single : A 61 THR OG1 : rot 68:sc= 0.782 USER MOD Single : A 62 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.14) USER MOD Single : A 65 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.9) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.23) USER MOD Single : A 96 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-0.89) USER MOD Single : A 97 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 100 HIS : no HD1:sc= 0.171 K(o=0.17,f=-2!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 102 PNS O33 : rot 117:sc= 0.088 USER MOD Single : A 102 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.659 7.424 -5.476 1.00 0.00 N ATOM 2 CA MET A 1 -14.019 6.843 -5.514 1.00 0.00 C ATOM 3 C MET A 1 -14.223 5.892 -4.317 1.00 0.00 C ATOM 4 O MET A 1 -14.707 4.764 -4.484 1.00 0.00 O ATOM 5 CB MET A 1 -14.247 6.113 -6.869 1.00 0.00 C ATOM 6 CG MET A 1 -14.192 7.014 -8.103 1.00 0.00 C ATOM 7 SD MET A 1 -14.597 6.114 -9.619 1.00 0.00 S ATOM 8 CE MET A 1 -14.492 7.416 -10.846 1.00 0.00 C ATOM 0 H1 MET A 1 -12.724 8.451 -5.326 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.119 6.994 -4.698 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.176 7.236 -6.377 1.00 0.00 H new ATOM 0 HA MET A 1 -14.757 7.641 -5.434 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.495 5.331 -6.975 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.219 5.620 -6.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.888 7.844 -7.977 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.195 7.445 -8.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.718 7.007 -11.831 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.209 8.201 -10.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.485 7.833 -10.849 1.00 0.00 H new ATOM 20 N THR A 2 -13.876 6.391 -3.103 1.00 0.00 N ATOM 21 CA THR A 2 -13.964 5.627 -1.835 1.00 0.00 C ATOM 22 C THR A 2 -13.178 4.289 -1.943 1.00 0.00 C ATOM 23 O THR A 2 -13.696 3.195 -1.682 1.00 0.00 O ATOM 24 CB THR A 2 -15.466 5.405 -1.405 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.181 6.649 -1.510 1.00 0.00 O ATOM 26 CG2 THR A 2 -15.612 4.890 0.038 1.00 0.00 C ATOM 0 H THR A 2 -13.525 7.341 -2.977 1.00 0.00 H new ATOM 0 HA THR A 2 -13.495 6.215 -1.046 1.00 0.00 H new ATOM 0 HB THR A 2 -15.873 4.647 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.115 6.513 -1.245 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.668 4.758 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.096 3.935 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.175 5.612 0.728 1.00 0.00 H new ATOM 34 N SER A 3 -11.914 4.406 -2.365 1.00 0.00 N ATOM 35 CA SER A 3 -11.014 3.264 -2.634 1.00 0.00 C ATOM 36 C SER A 3 -9.754 3.372 -1.743 1.00 0.00 C ATOM 37 O SER A 3 -9.694 4.231 -0.844 1.00 0.00 O ATOM 38 CB SER A 3 -10.654 3.277 -4.150 1.00 0.00 C ATOM 39 OG SER A 3 -9.838 2.173 -4.530 1.00 0.00 O ATOM 0 H SER A 3 -11.474 5.311 -2.534 1.00 0.00 H new ATOM 0 HA SER A 3 -11.500 2.318 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.572 3.264 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.136 4.206 -4.388 1.00 0.00 H new ATOM 0 HG SER A 3 -10.164 1.359 -4.092 1.00 0.00 H new ATOM 45 N THR A 4 -8.760 2.490 -2.000 1.00 0.00 N ATOM 46 CA THR A 4 -7.436 2.521 -1.344 1.00 0.00 C ATOM 47 C THR A 4 -6.776 3.902 -1.536 1.00 0.00 C ATOM 48 O THR A 4 -6.232 4.466 -0.592 1.00 0.00 O ATOM 49 CB THR A 4 -6.501 1.396 -1.918 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.164 0.122 -1.824 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.149 1.317 -1.178 1.00 0.00 C ATOM 0 H THR A 4 -8.857 1.731 -2.675 1.00 0.00 H new ATOM 0 HA THR A 4 -7.581 2.340 -0.279 1.00 0.00 H new ATOM 0 HB THR A 4 -6.296 1.648 -2.958 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.518 -0.564 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.541 0.524 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.626 2.269 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.323 1.103 -0.124 1.00 0.00 H new ATOM 59 N PHE A 5 -6.892 4.439 -2.770 1.00 0.00 N ATOM 60 CA PHE A 5 -6.414 5.792 -3.136 1.00 0.00 C ATOM 61 C PHE A 5 -6.973 6.868 -2.180 1.00 0.00 C ATOM 62 O PHE A 5 -6.229 7.713 -1.700 1.00 0.00 O ATOM 63 CB PHE A 5 -6.808 6.130 -4.609 1.00 0.00 C ATOM 64 CG PHE A 5 -6.670 7.621 -4.972 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.418 8.240 -5.004 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.799 8.409 -5.226 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.305 9.591 -5.275 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.677 9.758 -5.507 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.434 10.348 -5.526 1.00 0.00 C ATOM 0 H PHE A 5 -7.324 3.941 -3.548 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.328 5.792 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.184 5.544 -5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.839 5.820 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.529 7.657 -4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.780 7.957 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.331 10.057 -5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.558 10.348 -5.712 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.340 11.403 -5.737 1.00 0.00 H new ATOM 79 N ASP A 6 -8.285 6.814 -1.937 1.00 0.00 N ATOM 80 CA ASP A 6 -9.010 7.819 -1.127 1.00 0.00 C ATOM 81 C ASP A 6 -8.587 7.766 0.343 1.00 0.00 C ATOM 82 O ASP A 6 -8.500 8.808 1.006 1.00 0.00 O ATOM 83 CB ASP A 6 -10.528 7.611 -1.257 1.00 0.00 C ATOM 84 CG ASP A 6 -11.011 7.811 -2.697 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.689 6.963 -3.557 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.725 8.799 -2.978 1.00 0.00 O ATOM 0 H ASP A 6 -8.885 6.071 -2.295 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.753 8.807 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.787 6.606 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.048 8.308 -0.600 1.00 0.00 H new ATOM 91 N ARG A 7 -8.337 6.536 0.834 1.00 0.00 N ATOM 92 CA ARG A 7 -7.792 6.294 2.184 1.00 0.00 C ATOM 93 C ARG A 7 -6.402 6.941 2.324 1.00 0.00 C ATOM 94 O ARG A 7 -6.154 7.691 3.263 1.00 0.00 O ATOM 95 CB ARG A 7 -7.701 4.766 2.485 1.00 0.00 C ATOM 96 CG ARG A 7 -9.052 4.037 2.580 1.00 0.00 C ATOM 97 CD ARG A 7 -9.902 4.548 3.756 1.00 0.00 C ATOM 98 NE ARG A 7 -11.094 3.708 3.979 1.00 0.00 N ATOM 99 CZ ARG A 7 -11.810 3.653 5.115 1.00 0.00 C ATOM 100 NH1 ARG A 7 -11.526 4.449 6.140 1.00 0.00 N ATOM 101 NH2 ARG A 7 -12.820 2.800 5.206 1.00 0.00 N ATOM 0 H ARG A 7 -8.508 5.681 0.304 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.470 6.747 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.105 4.293 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.165 4.628 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.603 4.172 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.879 2.967 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.296 4.565 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.213 5.574 3.560 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.401 3.119 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.755 5.114 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.079 4.396 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.048 2.193 4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.370 2.750 6.064 1.00 0.00 H new ATOM 115 N VAL A 8 -5.528 6.652 1.342 1.00 0.00 N ATOM 116 CA VAL A 8 -4.147 7.170 1.285 1.00 0.00 C ATOM 117 C VAL A 8 -4.140 8.704 1.181 1.00 0.00 C ATOM 118 O VAL A 8 -3.341 9.375 1.824 1.00 0.00 O ATOM 119 CB VAL A 8 -3.374 6.540 0.068 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.961 7.158 -0.109 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.296 5.004 0.228 1.00 0.00 C ATOM 0 H VAL A 8 -5.763 6.045 0.556 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.641 6.887 2.208 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.932 6.772 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.465 6.693 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.052 8.230 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.373 6.986 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.759 4.577 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.770 4.761 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.304 4.590 0.265 1.00 0.00 H new ATOM 131 N ALA A 9 -5.071 9.227 0.383 1.00 0.00 N ATOM 132 CA ALA A 9 -5.255 10.667 0.155 1.00 0.00 C ATOM 133 C ALA A 9 -5.653 11.387 1.456 1.00 0.00 C ATOM 134 O ALA A 9 -5.171 12.487 1.742 1.00 0.00 O ATOM 135 CB ALA A 9 -6.317 10.870 -0.932 1.00 0.00 C ATOM 0 H ALA A 9 -5.735 8.652 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.312 11.101 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.459 11.936 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.989 10.391 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.259 10.427 -0.608 1.00 0.00 H new ATOM 141 N THR A 10 -6.545 10.737 2.225 1.00 0.00 N ATOM 142 CA THR A 10 -6.931 11.179 3.576 1.00 0.00 C ATOM 143 C THR A 10 -5.703 11.192 4.516 1.00 0.00 C ATOM 144 O THR A 10 -5.501 12.147 5.269 1.00 0.00 O ATOM 145 CB THR A 10 -8.063 10.264 4.160 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.231 10.336 3.322 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.454 10.634 5.600 1.00 0.00 C ATOM 0 H THR A 10 -7.020 9.886 1.925 1.00 0.00 H new ATOM 0 HA THR A 10 -7.319 12.195 3.503 1.00 0.00 H new ATOM 0 HB THR A 10 -7.664 9.250 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.071 9.836 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.241 9.965 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.584 10.538 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.814 11.662 5.626 1.00 0.00 H new ATOM 155 N ILE A 11 -4.879 10.139 4.425 1.00 0.00 N ATOM 156 CA ILE A 11 -3.648 9.983 5.220 1.00 0.00 C ATOM 157 C ILE A 11 -2.618 11.094 4.906 1.00 0.00 C ATOM 158 O ILE A 11 -1.985 11.624 5.819 1.00 0.00 O ATOM 159 CB ILE A 11 -3.034 8.550 4.975 1.00 0.00 C ATOM 160 CG1 ILE A 11 -3.994 7.453 5.545 1.00 0.00 C ATOM 161 CG2 ILE A 11 -1.611 8.419 5.557 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.621 6.018 5.222 1.00 0.00 C ATOM 0 H ILE A 11 -5.049 9.360 3.789 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.906 10.082 6.274 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.938 8.403 3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.038 7.562 6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.998 7.642 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.230 7.416 5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.956 9.153 5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.640 8.595 6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.353 5.343 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.608 5.880 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.633 5.799 5.627 1.00 0.00 H new ATOM 174 N ILE A 12 -2.486 11.468 3.618 1.00 0.00 N ATOM 175 CA ILE A 12 -1.553 12.535 3.188 1.00 0.00 C ATOM 176 C ILE A 12 -2.046 13.897 3.715 1.00 0.00 C ATOM 177 O ILE A 12 -1.254 14.735 4.174 1.00 0.00 O ATOM 178 CB ILE A 12 -1.421 12.575 1.618 1.00 0.00 C ATOM 179 CG1 ILE A 12 -0.856 11.224 1.080 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.548 13.767 1.132 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.785 11.120 -0.434 1.00 0.00 C ATOM 0 H ILE A 12 -3.014 11.047 2.854 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.568 12.320 3.602 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.422 12.724 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.144 11.077 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.477 10.411 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.486 13.753 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.999 14.705 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.453 13.680 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.380 10.147 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.785 11.231 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.139 11.907 -0.823 1.00 0.00 H new ATOM 193 N ALA A 13 -3.368 14.087 3.636 1.00 0.00 N ATOM 194 CA ALA A 13 -4.065 15.248 4.210 1.00 0.00 C ATOM 195 C ALA A 13 -3.834 15.385 5.739 1.00 0.00 C ATOM 196 O ALA A 13 -3.655 16.496 6.243 1.00 0.00 O ATOM 197 CB ALA A 13 -5.562 15.148 3.877 1.00 0.00 C ATOM 0 H ALA A 13 -3.993 13.432 3.166 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.650 16.152 3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.087 16.005 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.694 15.138 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.968 14.229 4.300 1.00 0.00 H new ATOM 203 N GLU A 14 -3.830 14.248 6.463 1.00 0.00 N ATOM 204 CA GLU A 14 -3.597 14.220 7.926 1.00 0.00 C ATOM 205 C GLU A 14 -2.122 14.498 8.276 1.00 0.00 C ATOM 206 O GLU A 14 -1.832 15.249 9.218 1.00 0.00 O ATOM 207 CB GLU A 14 -4.033 12.848 8.511 1.00 0.00 C ATOM 208 CG GLU A 14 -5.548 12.568 8.455 1.00 0.00 C ATOM 209 CD GLU A 14 -6.378 13.563 9.285 1.00 0.00 C ATOM 210 OE1 GLU A 14 -6.426 13.422 10.526 1.00 0.00 O ATOM 211 OE2 GLU A 14 -6.970 14.501 8.710 1.00 0.00 O ATOM 0 H GLU A 14 -3.987 13.326 6.055 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.199 15.012 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.512 12.057 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.707 12.792 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.880 12.604 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.738 11.557 8.815 1.00 0.00 H new ATOM 218 N THR A 15 -1.200 13.896 7.512 1.00 0.00 N ATOM 219 CA THR A 15 0.239 13.900 7.836 1.00 0.00 C ATOM 220 C THR A 15 0.921 15.218 7.417 1.00 0.00 C ATOM 221 O THR A 15 1.668 15.827 8.196 1.00 0.00 O ATOM 222 CB THR A 15 0.969 12.699 7.145 1.00 0.00 C ATOM 223 OG1 THR A 15 0.380 11.459 7.570 1.00 0.00 O ATOM 224 CG2 THR A 15 2.481 12.677 7.439 1.00 0.00 C ATOM 0 H THR A 15 -1.427 13.393 6.654 1.00 0.00 H new ATOM 0 HA THR A 15 0.317 13.801 8.919 1.00 0.00 H new ATOM 0 HB THR A 15 0.847 12.827 6.069 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.460 11.314 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.937 11.824 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.936 13.599 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.641 12.592 8.514 1.00 0.00 H new ATOM 232 N CYS A 16 0.635 15.655 6.187 1.00 0.00 N ATOM 233 CA CYS A 16 1.412 16.686 5.481 1.00 0.00 C ATOM 234 C CYS A 16 0.542 17.935 5.193 1.00 0.00 C ATOM 235 O CYS A 16 1.028 18.913 4.612 1.00 0.00 O ATOM 236 CB CYS A 16 1.968 16.065 4.173 1.00 0.00 C ATOM 237 SG CYS A 16 3.028 17.157 3.216 1.00 0.00 S ATOM 0 H CYS A 16 -0.152 15.300 5.644 1.00 0.00 H new ATOM 0 HA CYS A 16 2.241 17.020 6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.529 15.164 4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.130 15.755 3.549 1.00 0.00 H new ATOM 0 HG CYS A 16 2.660 18.390 3.400 1.00 0.00 H new ATOM 243 N ASP A 17 -0.745 17.887 5.638 1.00 0.00 N ATOM 244 CA ASP A 17 -1.761 18.953 5.420 1.00 0.00 C ATOM 245 C ASP A 17 -1.860 19.343 3.931 1.00 0.00 C ATOM 246 O ASP A 17 -1.495 20.446 3.522 1.00 0.00 O ATOM 247 CB ASP A 17 -1.498 20.175 6.354 1.00 0.00 C ATOM 248 CG ASP A 17 -2.646 21.210 6.351 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.692 20.951 6.990 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.519 22.280 5.709 1.00 0.00 O ATOM 0 H ASP A 17 -1.110 17.094 6.166 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.738 18.556 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.344 19.818 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.575 20.666 6.045 1.00 0.00 H new ATOM 255 N ILE A 18 -2.305 18.383 3.110 1.00 0.00 N ATOM 256 CA ILE A 18 -2.486 18.574 1.653 1.00 0.00 C ATOM 257 C ILE A 18 -3.995 18.467 1.332 1.00 0.00 C ATOM 258 O ILE A 18 -4.609 17.455 1.691 1.00 0.00 O ATOM 259 CB ILE A 18 -1.664 17.507 0.826 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.148 17.515 1.233 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.830 17.724 -0.702 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.583 18.835 1.022 1.00 0.00 C ATOM 0 H ILE A 18 -2.552 17.447 3.432 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.111 19.557 1.368 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.070 16.525 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.071 17.242 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.367 16.740 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.252 16.973 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.883 17.633 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.472 18.718 -0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.622 18.730 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.548 19.106 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.103 19.615 1.613 1.00 0.00 H new ATOM 274 N PRO A 19 -4.622 19.515 0.681 1.00 0.00 N ATOM 275 CA PRO A 19 -6.077 19.514 0.363 1.00 0.00 C ATOM 276 C PRO A 19 -6.482 18.293 -0.493 1.00 0.00 C ATOM 277 O PRO A 19 -5.848 18.022 -1.514 1.00 0.00 O ATOM 278 CB PRO A 19 -6.291 20.852 -0.407 1.00 0.00 C ATOM 279 CG PRO A 19 -5.144 21.717 0.011 1.00 0.00 C ATOM 280 CD PRO A 19 -3.978 20.775 0.206 1.00 0.00 C ATOM 0 HA PRO A 19 -6.696 19.440 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.295 20.692 -1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.246 21.309 -0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.920 22.466 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.373 22.254 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.428 20.619 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.267 21.162 0.936 1.00 0.00 H new ATOM 288 N ARG A 20 -7.524 17.558 -0.047 1.00 0.00 N ATOM 289 CA ARG A 20 -8.049 16.361 -0.741 1.00 0.00 C ATOM 290 C ARG A 20 -8.473 16.677 -2.195 1.00 0.00 C ATOM 291 O ARG A 20 -8.329 15.827 -3.088 1.00 0.00 O ATOM 292 CB ARG A 20 -9.245 15.758 0.052 1.00 0.00 C ATOM 293 CG ARG A 20 -9.870 14.485 -0.571 1.00 0.00 C ATOM 294 CD ARG A 20 -8.864 13.330 -0.715 1.00 0.00 C ATOM 295 NE ARG A 20 -9.422 12.201 -1.494 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.296 12.036 -2.820 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.636 12.923 -3.570 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.856 10.990 -3.406 1.00 0.00 N ATOM 0 H ARG A 20 -8.028 17.780 0.811 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.243 15.628 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.910 15.523 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.021 16.518 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.705 14.157 0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.277 14.730 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.960 13.695 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.572 12.978 0.275 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.945 11.491 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.216 13.745 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.552 12.778 -4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.380 10.314 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.763 10.860 -4.413 1.00 0.00 H new ATOM 312 N GLU A 21 -8.959 17.918 -2.425 1.00 0.00 N ATOM 313 CA GLU A 21 -9.408 18.386 -3.751 1.00 0.00 C ATOM 314 C GLU A 21 -8.210 18.462 -4.723 1.00 0.00 C ATOM 315 O GLU A 21 -8.347 18.181 -5.917 1.00 0.00 O ATOM 316 CB GLU A 21 -10.115 19.772 -3.635 1.00 0.00 C ATOM 317 CG GLU A 21 -9.258 20.880 -2.992 1.00 0.00 C ATOM 318 CD GLU A 21 -9.968 22.241 -2.936 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.913 22.996 -3.932 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.595 22.560 -1.904 1.00 0.00 O ATOM 0 H GLU A 21 -9.050 18.623 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.130 17.671 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.415 20.096 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.027 19.652 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.985 20.578 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.330 20.985 -3.554 1.00 0.00 H new ATOM 327 N THR A 22 -7.025 18.808 -4.177 1.00 0.00 N ATOM 328 CA THR A 22 -5.773 18.933 -4.948 1.00 0.00 C ATOM 329 C THR A 22 -4.935 17.639 -4.855 1.00 0.00 C ATOM 330 O THR A 22 -3.715 17.667 -5.040 1.00 0.00 O ATOM 331 CB THR A 22 -4.930 20.158 -4.439 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.575 19.984 -3.058 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.688 21.488 -4.607 1.00 0.00 C ATOM 0 H THR A 22 -6.911 19.009 -3.184 1.00 0.00 H new ATOM 0 HA THR A 22 -6.039 19.098 -5.992 1.00 0.00 H new ATOM 0 HB THR A 22 -4.028 20.201 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.042 19.202 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.069 22.308 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.916 21.646 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.616 21.453 -4.036 1.00 0.00 H new ATOM 341 N ILE A 23 -5.588 16.504 -4.545 1.00 0.00 N ATOM 342 CA ILE A 23 -4.956 15.177 -4.555 1.00 0.00 C ATOM 343 C ILE A 23 -5.591 14.350 -5.689 1.00 0.00 C ATOM 344 O ILE A 23 -6.713 13.841 -5.555 1.00 0.00 O ATOM 345 CB ILE A 23 -5.117 14.450 -3.160 1.00 0.00 C ATOM 346 CG1 ILE A 23 -4.337 15.225 -2.046 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.658 12.977 -3.237 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.486 14.662 -0.639 1.00 0.00 C ATOM 0 H ILE A 23 -6.573 16.484 -4.280 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.885 15.283 -4.728 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.176 14.448 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.278 15.235 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.674 16.262 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.782 12.506 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.260 12.447 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.608 12.938 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.908 15.268 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.537 14.678 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.120 13.636 -0.617 1.00 0.00 H new ATOM 360 N THR A 24 -4.887 14.290 -6.826 1.00 0.00 N ATOM 361 CA THR A 24 -5.287 13.488 -7.997 1.00 0.00 C ATOM 362 C THR A 24 -4.570 12.119 -7.966 1.00 0.00 C ATOM 363 O THR A 24 -3.540 11.983 -7.293 1.00 0.00 O ATOM 364 CB THR A 24 -4.943 14.255 -9.325 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.562 14.660 -9.317 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.842 15.491 -9.517 1.00 0.00 C ATOM 0 H THR A 24 -4.015 14.800 -6.964 1.00 0.00 H new ATOM 0 HA THR A 24 -6.364 13.323 -7.962 1.00 0.00 H new ATOM 0 HB THR A 24 -5.123 13.573 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.356 15.136 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.574 15.995 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.885 15.179 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.704 16.175 -8.680 1.00 0.00 H new ATOM 374 N PRO A 25 -5.104 11.065 -8.674 1.00 0.00 N ATOM 375 CA PRO A 25 -4.407 9.760 -8.802 1.00 0.00 C ATOM 376 C PRO A 25 -3.069 9.883 -9.569 1.00 0.00 C ATOM 377 O PRO A 25 -2.157 9.084 -9.358 1.00 0.00 O ATOM 378 CB PRO A 25 -5.432 8.866 -9.551 1.00 0.00 C ATOM 379 CG PRO A 25 -6.320 9.832 -10.272 1.00 0.00 C ATOM 380 CD PRO A 25 -6.428 11.039 -9.369 1.00 0.00 C ATOM 0 HA PRO A 25 -4.120 9.346 -7.836 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.935 8.190 -10.246 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.000 8.247 -8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.899 10.103 -11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.301 9.396 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.603 11.953 -9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.252 10.941 -8.662 1.00 0.00 H new ATOM 388 N GLU A 26 -2.936 10.935 -10.404 1.00 0.00 N ATOM 389 CA GLU A 26 -1.741 11.158 -11.242 1.00 0.00 C ATOM 390 C GLU A 26 -0.760 12.120 -10.537 1.00 0.00 C ATOM 391 O GLU A 26 0.231 12.555 -11.132 1.00 0.00 O ATOM 392 CB GLU A 26 -2.174 11.738 -12.615 1.00 0.00 C ATOM 393 CG GLU A 26 -2.867 13.119 -12.547 1.00 0.00 C ATOM 394 CD GLU A 26 -3.212 13.687 -13.934 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.299 13.376 -14.464 1.00 0.00 O ATOM 396 OE2 GLU A 26 -2.394 14.438 -14.508 1.00 0.00 O ATOM 0 H GLU A 26 -3.653 11.652 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.232 10.207 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.294 11.820 -13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.851 11.031 -13.095 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.780 13.032 -11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.216 13.821 -12.025 1.00 0.00 H new ATOM 403 N SER A 27 -1.060 12.459 -9.267 1.00 0.00 N ATOM 404 CA SER A 27 -0.218 13.351 -8.459 1.00 0.00 C ATOM 405 C SER A 27 1.017 12.587 -7.965 1.00 0.00 C ATOM 406 O SER A 27 0.910 11.428 -7.546 1.00 0.00 O ATOM 407 CB SER A 27 -1.020 13.913 -7.270 1.00 0.00 C ATOM 408 OG SER A 27 -0.234 14.784 -6.483 1.00 0.00 O ATOM 0 H SER A 27 -1.890 12.122 -8.779 1.00 0.00 H new ATOM 0 HA SER A 27 0.109 14.189 -9.075 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.896 14.445 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.383 13.091 -6.653 1.00 0.00 H new ATOM 0 HG SER A 27 -0.064 15.611 -6.981 1.00 0.00 H new ATOM 414 N HIS A 28 2.185 13.234 -8.047 1.00 0.00 N ATOM 415 CA HIS A 28 3.441 12.674 -7.548 1.00 0.00 C ATOM 416 C HIS A 28 3.743 13.281 -6.167 1.00 0.00 C ATOM 417 O HIS A 28 3.757 14.498 -6.033 1.00 0.00 O ATOM 418 CB HIS A 28 4.593 12.984 -8.530 1.00 0.00 C ATOM 419 CG HIS A 28 5.825 12.175 -8.242 1.00 0.00 C ATOM 420 ND1 HIS A 28 6.657 12.467 -7.193 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.280 11.073 -8.867 1.00 0.00 C ATOM 422 CE1 HIS A 28 7.587 11.540 -7.209 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.402 10.674 -8.207 1.00 0.00 N ATOM 0 H HIS A 28 2.284 14.161 -8.462 1.00 0.00 H new ATOM 0 HA HIS A 28 3.349 11.591 -7.461 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.261 12.785 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.837 14.045 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.838 10.596 -9.729 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.401 11.485 -6.502 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.987 9.869 -8.432 1.00 0.00 H new ATOM 431 N ALA A 29 3.966 12.433 -5.154 1.00 0.00 N ATOM 432 CA ALA A 29 4.283 12.859 -3.776 1.00 0.00 C ATOM 433 C ALA A 29 5.436 13.882 -3.711 1.00 0.00 C ATOM 434 O ALA A 29 5.299 14.917 -3.068 1.00 0.00 O ATOM 435 CB ALA A 29 4.612 11.630 -2.922 1.00 0.00 C ATOM 0 H ALA A 29 3.932 11.420 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 29 3.401 13.364 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.846 11.946 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.754 10.958 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.471 11.111 -3.347 1.00 0.00 H new ATOM 441 N ILE A 30 6.527 13.632 -4.448 1.00 0.00 N ATOM 442 CA ILE A 30 7.788 14.383 -4.271 1.00 0.00 C ATOM 443 C ILE A 30 7.833 15.580 -5.248 1.00 0.00 C ATOM 444 O ILE A 30 8.213 16.697 -4.871 1.00 0.00 O ATOM 445 CB ILE A 30 9.055 13.470 -4.504 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.958 12.145 -3.683 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.369 14.218 -4.149 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.159 11.217 -3.844 1.00 0.00 C ATOM 0 H ILE A 30 6.567 12.916 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 30 7.813 14.740 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 30 9.077 13.221 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.844 12.393 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.057 11.610 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.220 13.560 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.463 15.105 -4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.347 14.515 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.010 10.321 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.263 10.936 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.062 11.730 -3.515 1.00 0.00 H new ATOM 460 N ASP A 31 7.411 15.329 -6.499 1.00 0.00 N ATOM 461 CA ASP A 31 7.595 16.269 -7.632 1.00 0.00 C ATOM 462 C ASP A 31 6.358 17.140 -7.886 1.00 0.00 C ATOM 463 O ASP A 31 6.407 18.050 -8.725 1.00 0.00 O ATOM 464 CB ASP A 31 7.976 15.481 -8.916 1.00 0.00 C ATOM 465 CG ASP A 31 9.378 14.866 -8.813 1.00 0.00 C ATOM 466 OD1 ASP A 31 9.529 13.808 -8.174 1.00 0.00 O ATOM 467 OD2 ASP A 31 10.344 15.453 -9.343 1.00 0.00 O ATOM 0 H ASP A 31 6.931 14.468 -6.760 1.00 0.00 H new ATOM 0 HA ASP A 31 8.405 16.946 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.245 14.691 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.934 16.148 -9.777 1.00 0.00 H new ATOM 472 N ASP A 32 5.251 16.879 -7.176 1.00 0.00 N ATOM 473 CA ASP A 32 4.010 17.671 -7.320 1.00 0.00 C ATOM 474 C ASP A 32 3.567 18.189 -5.940 1.00 0.00 C ATOM 475 O ASP A 32 3.474 19.398 -5.716 1.00 0.00 O ATOM 476 CB ASP A 32 2.903 16.809 -7.991 1.00 0.00 C ATOM 477 CG ASP A 32 1.594 17.573 -8.233 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.719 17.581 -7.342 1.00 0.00 O ATOM 479 OD2 ASP A 32 1.435 18.174 -9.317 1.00 0.00 O ATOM 0 H ASP A 32 5.185 16.124 -6.493 1.00 0.00 H new ATOM 0 HA ASP A 32 4.194 18.532 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.275 16.431 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.698 15.942 -7.363 1.00 0.00 H new ATOM 484 N LEU A 33 3.317 17.252 -5.004 1.00 0.00 N ATOM 485 CA LEU A 33 2.892 17.578 -3.626 1.00 0.00 C ATOM 486 C LEU A 33 4.058 18.145 -2.790 1.00 0.00 C ATOM 487 O LEU A 33 3.829 18.704 -1.714 1.00 0.00 O ATOM 488 CB LEU A 33 2.295 16.330 -2.926 1.00 0.00 C ATOM 489 CG LEU A 33 1.070 15.661 -3.617 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.588 14.434 -2.809 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.072 16.681 -3.856 1.00 0.00 C ATOM 0 H LEU A 33 3.403 16.251 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 33 2.123 18.347 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.083 15.583 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.003 16.614 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 33 1.387 15.306 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.268 13.982 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.395 13.704 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.297 14.750 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.911 16.181 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.397 17.094 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.288 17.487 -4.496 1.00 0.00 H new ATOM 503 N GLY A 34 5.300 17.982 -3.296 1.00 0.00 N ATOM 504 CA GLY A 34 6.501 18.524 -2.649 1.00 0.00 C ATOM 505 C GLY A 34 6.800 17.879 -1.299 1.00 0.00 C ATOM 506 O GLY A 34 7.105 18.569 -0.325 1.00 0.00 O ATOM 0 H GLY A 34 5.491 17.473 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.357 18.383 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.378 19.598 -2.512 1.00 0.00 H new ATOM 510 N ILE A 35 6.700 16.547 -1.259 1.00 0.00 N ATOM 511 CA ILE A 35 6.892 15.734 -0.046 1.00 0.00 C ATOM 512 C ILE A 35 8.210 14.966 -0.177 1.00 0.00 C ATOM 513 O ILE A 35 8.384 14.209 -1.128 1.00 0.00 O ATOM 514 CB ILE A 35 5.702 14.704 0.140 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.329 15.447 0.198 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.903 13.815 1.393 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.105 14.543 0.241 1.00 0.00 C ATOM 0 H ILE A 35 6.479 15.989 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 35 6.914 16.392 0.823 1.00 0.00 H new ATOM 0 HB ILE A 35 5.700 14.046 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.318 16.089 1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.249 16.099 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.066 13.122 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.831 13.252 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.953 14.444 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.203 15.154 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.082 13.919 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.152 13.909 1.126 1.00 0.00 H new ATOM 529 N ASP A 36 9.138 15.160 0.775 1.00 0.00 N ATOM 530 CA ASP A 36 10.404 14.400 0.813 1.00 0.00 C ATOM 531 C ASP A 36 10.140 13.007 1.410 1.00 0.00 C ATOM 532 O ASP A 36 9.111 12.797 2.075 1.00 0.00 O ATOM 533 CB ASP A 36 11.477 15.169 1.633 1.00 0.00 C ATOM 534 CG ASP A 36 12.841 14.443 1.725 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.519 14.308 0.691 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.224 13.989 2.821 1.00 0.00 O ATOM 0 H ASP A 36 9.037 15.837 1.531 1.00 0.00 H new ATOM 0 HA ASP A 36 10.789 14.282 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.629 16.150 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.098 15.336 2.641 1.00 0.00 H new ATOM 541 N SER A 37 11.076 12.067 1.190 1.00 0.00 N ATOM 542 CA SER A 37 10.944 10.673 1.629 1.00 0.00 C ATOM 543 C SER A 37 10.773 10.573 3.159 1.00 0.00 C ATOM 544 O SER A 37 10.075 9.681 3.641 1.00 0.00 O ATOM 545 CB SER A 37 12.164 9.860 1.149 1.00 0.00 C ATOM 546 OG SER A 37 13.410 10.436 1.583 1.00 0.00 O ATOM 0 H SER A 37 11.950 12.258 0.699 1.00 0.00 H new ATOM 0 HA SER A 37 10.042 10.254 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.088 8.839 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.153 9.801 0.061 1.00 0.00 H new ATOM 551 N LEU A 38 11.376 11.532 3.890 1.00 0.00 N ATOM 552 CA LEU A 38 11.277 11.621 5.364 1.00 0.00 C ATOM 553 C LEU A 38 9.834 11.924 5.819 1.00 0.00 C ATOM 554 O LEU A 38 9.350 11.328 6.789 1.00 0.00 O ATOM 555 CB LEU A 38 12.278 12.687 5.912 1.00 0.00 C ATOM 556 CG LEU A 38 13.730 12.187 6.191 1.00 0.00 C ATOM 557 CD1 LEU A 38 13.761 11.246 7.411 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.349 11.511 4.955 1.00 0.00 C ATOM 0 H LEU A 38 11.947 12.269 3.476 1.00 0.00 H new ATOM 0 HA LEU A 38 11.547 10.650 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.330 13.508 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.872 13.095 6.838 1.00 0.00 H new ATOM 0 HG LEU A 38 14.339 13.062 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.783 10.910 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.398 11.778 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.123 10.383 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.360 11.177 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.741 10.653 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.385 12.223 4.131 1.00 0.00 H new ATOM 570 N ASP A 39 9.153 12.838 5.116 1.00 0.00 N ATOM 571 CA ASP A 39 7.739 13.181 5.408 1.00 0.00 C ATOM 572 C ASP A 39 6.815 12.058 4.928 1.00 0.00 C ATOM 573 O ASP A 39 5.741 11.825 5.498 1.00 0.00 O ATOM 574 CB ASP A 39 7.358 14.513 4.729 1.00 0.00 C ATOM 575 CG ASP A 39 8.296 15.660 5.128 1.00 0.00 C ATOM 576 OD1 ASP A 39 8.034 16.340 6.145 1.00 0.00 O ATOM 577 OD2 ASP A 39 9.311 15.877 4.428 1.00 0.00 O ATOM 0 H ASP A 39 9.553 13.360 4.336 1.00 0.00 H new ATOM 0 HA ASP A 39 7.623 13.296 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.383 14.386 3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.334 14.774 4.996 1.00 0.00 H new ATOM 582 N PHE A 40 7.272 11.346 3.889 1.00 0.00 N ATOM 583 CA PHE A 40 6.528 10.252 3.268 1.00 0.00 C ATOM 584 C PHE A 40 6.615 8.978 4.143 1.00 0.00 C ATOM 585 O PHE A 40 5.785 8.079 4.006 1.00 0.00 O ATOM 586 CB PHE A 40 7.060 9.998 1.833 1.00 0.00 C ATOM 587 CG PHE A 40 6.132 9.147 0.972 1.00 0.00 C ATOM 588 CD1 PHE A 40 5.042 9.730 0.327 1.00 0.00 C ATOM 589 CD2 PHE A 40 6.346 7.781 0.802 1.00 0.00 C ATOM 590 CE1 PHE A 40 4.193 8.972 -0.448 1.00 0.00 C ATOM 591 CE2 PHE A 40 5.494 7.027 0.023 1.00 0.00 C ATOM 592 CZ PHE A 40 4.427 7.623 -0.605 1.00 0.00 C ATOM 0 H PHE A 40 8.179 11.519 3.455 1.00 0.00 H new ATOM 0 HA PHE A 40 5.476 10.528 3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.219 10.957 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.031 9.508 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.861 10.789 0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.188 7.308 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.345 9.434 -0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.665 5.967 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.769 7.032 -1.224 1.00 0.00 H new ATOM 602 N LEU A 41 7.640 8.912 5.035 1.00 0.00 N ATOM 603 CA LEU A 41 7.759 7.838 6.054 1.00 0.00 C ATOM 604 C LEU A 41 6.519 7.839 6.957 1.00 0.00 C ATOM 605 O LEU A 41 5.893 6.806 7.156 1.00 0.00 O ATOM 606 CB LEU A 41 9.025 8.023 6.935 1.00 0.00 C ATOM 607 CG LEU A 41 10.393 7.876 6.215 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.554 8.177 7.180 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.538 6.482 5.562 1.00 0.00 C ATOM 0 H LEU A 41 8.398 9.594 5.067 1.00 0.00 H new ATOM 0 HA LEU A 41 7.842 6.889 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.983 9.012 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.986 7.296 7.747 1.00 0.00 H new ATOM 0 HG LEU A 41 10.433 8.611 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.502 8.068 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.462 9.197 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.521 7.480 8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.506 6.411 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.466 5.711 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.744 6.339 4.829 1.00 0.00 H new ATOM 621 N ASP A 42 6.188 9.039 7.475 1.00 0.00 N ATOM 622 CA ASP A 42 5.031 9.256 8.372 1.00 0.00 C ATOM 623 C ASP A 42 3.715 8.929 7.657 1.00 0.00 C ATOM 624 O ASP A 42 2.805 8.343 8.259 1.00 0.00 O ATOM 625 CB ASP A 42 5.011 10.714 8.893 1.00 0.00 C ATOM 626 CG ASP A 42 6.212 11.042 9.791 1.00 0.00 C ATOM 627 OD1 ASP A 42 7.312 11.313 9.260 1.00 0.00 O ATOM 628 OD2 ASP A 42 6.074 11.000 11.038 1.00 0.00 O ATOM 0 H ASP A 42 6.717 9.890 7.283 1.00 0.00 H new ATOM 0 HA ASP A 42 5.135 8.583 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.000 11.398 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.090 10.883 9.450 1.00 0.00 H new ATOM 633 N ILE A 43 3.636 9.306 6.364 1.00 0.00 N ATOM 634 CA ILE A 43 2.492 8.945 5.498 1.00 0.00 C ATOM 635 C ILE A 43 2.367 7.415 5.403 1.00 0.00 C ATOM 636 O ILE A 43 1.283 6.863 5.611 1.00 0.00 O ATOM 637 CB ILE A 43 2.629 9.559 4.047 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.668 11.121 4.113 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.501 9.068 3.093 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.839 11.828 2.778 1.00 0.00 C ATOM 0 H ILE A 43 4.352 9.861 5.895 1.00 0.00 H new ATOM 0 HA ILE A 43 1.594 9.363 5.952 1.00 0.00 H new ATOM 0 HB ILE A 43 3.572 9.205 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.744 11.471 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.485 11.419 4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.636 9.516 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.544 7.982 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.531 9.362 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.853 12.906 2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.777 11.516 2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.009 11.569 2.120 1.00 0.00 H new ATOM 652 N ALA A 44 3.505 6.737 5.160 1.00 0.00 N ATOM 653 CA ALA A 44 3.535 5.293 4.902 1.00 0.00 C ATOM 654 C ALA A 44 3.304 4.480 6.198 1.00 0.00 C ATOM 655 O ALA A 44 2.777 3.387 6.138 1.00 0.00 O ATOM 656 CB ALA A 44 4.870 4.912 4.246 1.00 0.00 C ATOM 0 H ALA A 44 4.425 7.178 5.138 1.00 0.00 H new ATOM 0 HA ALA A 44 2.721 5.048 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.889 3.839 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.979 5.449 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.691 5.177 4.912 1.00 0.00 H new ATOM 662 N PHE A 45 3.705 5.040 7.360 1.00 0.00 N ATOM 663 CA PHE A 45 3.453 4.442 8.699 1.00 0.00 C ATOM 664 C PHE A 45 1.946 4.403 8.986 1.00 0.00 C ATOM 665 O PHE A 45 1.422 3.397 9.468 1.00 0.00 O ATOM 666 CB PHE A 45 4.188 5.230 9.838 1.00 0.00 C ATOM 667 CG PHE A 45 5.612 4.760 10.127 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.830 3.497 10.680 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.721 5.563 9.862 1.00 0.00 C ATOM 670 CE1 PHE A 45 7.109 3.054 10.963 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.999 5.118 10.143 1.00 0.00 C ATOM 672 CZ PHE A 45 8.193 3.862 10.690 1.00 0.00 C ATOM 0 H PHE A 45 4.215 5.923 7.401 1.00 0.00 H new ATOM 0 HA PHE A 45 3.850 3.427 8.683 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.217 6.286 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.601 5.149 10.753 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.987 2.856 10.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.580 6.544 9.432 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.259 2.077 11.397 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.848 5.752 9.935 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.193 3.514 10.903 1.00 0.00 H new ATOM 682 N ALA A 46 1.271 5.517 8.664 1.00 0.00 N ATOM 683 CA ALA A 46 -0.182 5.657 8.850 1.00 0.00 C ATOM 684 C ALA A 46 -0.950 4.747 7.868 1.00 0.00 C ATOM 685 O ALA A 46 -2.027 4.256 8.198 1.00 0.00 O ATOM 686 CB ALA A 46 -0.599 7.118 8.687 1.00 0.00 C ATOM 0 H ALA A 46 1.716 6.345 8.268 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.435 5.341 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.676 7.207 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.085 7.728 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.334 7.463 7.688 1.00 0.00 H new ATOM 692 N ILE A 47 -0.373 4.531 6.666 1.00 0.00 N ATOM 693 CA ILE A 47 -0.895 3.560 5.675 1.00 0.00 C ATOM 694 C ILE A 47 -0.795 2.122 6.226 1.00 0.00 C ATOM 695 O ILE A 47 -1.786 1.388 6.257 1.00 0.00 O ATOM 696 CB ILE A 47 -0.118 3.675 4.299 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.408 5.051 3.611 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.451 2.498 3.349 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.412 5.335 2.359 1.00 0.00 C ATOM 0 H ILE A 47 0.465 5.022 6.354 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.944 3.796 5.493 1.00 0.00 H new ATOM 0 HB ILE A 47 0.948 3.619 4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.466 5.093 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.226 5.846 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.102 2.615 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.170 1.557 3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.520 2.492 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.138 6.311 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.473 5.331 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.213 4.567 1.612 1.00 0.00 H new ATOM 711 N ASP A 48 0.422 1.754 6.661 1.00 0.00 N ATOM 712 CA ASP A 48 0.754 0.403 7.173 1.00 0.00 C ATOM 713 C ASP A 48 -0.207 -0.033 8.280 1.00 0.00 C ATOM 714 O ASP A 48 -0.865 -1.069 8.178 1.00 0.00 O ATOM 715 CB ASP A 48 2.224 0.352 7.704 1.00 0.00 C ATOM 716 CG ASP A 48 3.307 0.367 6.609 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.998 0.637 5.431 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.482 0.080 6.929 1.00 0.00 O ATOM 0 H ASP A 48 1.218 2.392 6.669 1.00 0.00 H new ATOM 0 HA ASP A 48 0.652 -0.289 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.386 1.202 8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.347 -0.549 8.305 1.00 0.00 H new ATOM 723 N LYS A 49 -0.299 0.805 9.313 1.00 0.00 N ATOM 724 CA LYS A 49 -1.089 0.519 10.515 1.00 0.00 C ATOM 725 C LYS A 49 -2.607 0.546 10.215 1.00 0.00 C ATOM 726 O LYS A 49 -3.365 -0.220 10.824 1.00 0.00 O ATOM 727 CB LYS A 49 -0.703 1.516 11.643 1.00 0.00 C ATOM 728 CG LYS A 49 0.812 1.515 11.990 1.00 0.00 C ATOM 729 CD LYS A 49 1.184 2.513 13.115 1.00 0.00 C ATOM 730 CE LYS A 49 2.710 2.625 13.344 1.00 0.00 C ATOM 731 NZ LYS A 49 3.331 1.325 13.731 1.00 0.00 N ATOM 0 H LYS A 49 0.175 1.708 9.341 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.860 -0.491 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.997 2.522 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.272 1.273 12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.108 0.510 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.383 1.759 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.786 3.497 12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.705 2.201 14.043 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.184 2.993 12.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.903 3.362 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.353 1.457 13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.901 0.984 14.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.173 0.627 12.977 1.00 0.00 H new ATOM 745 N ALA A 50 -3.035 1.431 9.277 1.00 0.00 N ATOM 746 CA ALA A 50 -4.450 1.519 8.826 1.00 0.00 C ATOM 747 C ALA A 50 -4.920 0.212 8.163 1.00 0.00 C ATOM 748 O ALA A 50 -5.870 -0.428 8.632 1.00 0.00 O ATOM 749 CB ALA A 50 -4.651 2.709 7.863 1.00 0.00 C ATOM 0 H ALA A 50 -2.416 2.098 8.816 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.060 1.682 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.694 2.750 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.388 3.637 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.013 2.581 6.988 1.00 0.00 H new ATOM 755 N PHE A 51 -4.214 -0.189 7.096 1.00 0.00 N ATOM 756 CA PHE A 51 -4.569 -1.364 6.279 1.00 0.00 C ATOM 757 C PHE A 51 -4.067 -2.674 6.928 1.00 0.00 C ATOM 758 O PHE A 51 -4.330 -3.758 6.400 1.00 0.00 O ATOM 759 CB PHE A 51 -3.978 -1.219 4.853 1.00 0.00 C ATOM 760 CG PHE A 51 -4.551 -0.070 4.020 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.042 1.223 4.116 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.600 -0.293 3.127 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.548 2.250 3.346 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.104 0.733 2.356 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.579 2.003 2.467 1.00 0.00 C ATOM 0 H PHE A 51 -3.376 0.294 6.772 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.656 -1.413 6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.900 -1.082 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.140 -2.152 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.236 1.425 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.023 -1.283 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.137 3.245 3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.911 0.542 1.664 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.977 2.805 1.864 1.00 0.00 H new ATOM 775 N GLY A 52 -3.333 -2.561 8.061 1.00 0.00 N ATOM 776 CA GLY A 52 -2.781 -3.724 8.772 1.00 0.00 C ATOM 777 C GLY A 52 -1.675 -4.456 8.004 1.00 0.00 C ATOM 778 O GLY A 52 -1.362 -5.615 8.304 1.00 0.00 O ATOM 0 H GLY A 52 -3.112 -1.667 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.386 -3.395 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.588 -4.425 8.982 1.00 0.00 H new ATOM 782 N ILE A 53 -1.091 -3.773 7.005 1.00 0.00 N ATOM 783 CA ILE A 53 -0.001 -4.307 6.168 1.00 0.00 C ATOM 784 C ILE A 53 1.303 -3.590 6.511 1.00 0.00 C ATOM 785 O ILE A 53 1.355 -2.821 7.471 1.00 0.00 O ATOM 786 CB ILE A 53 -0.347 -4.169 4.620 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.811 -2.707 4.215 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.404 -5.217 4.223 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.292 -1.701 3.923 1.00 0.00 C ATOM 0 H ILE A 53 -1.365 -2.824 6.752 1.00 0.00 H new ATOM 0 HA ILE A 53 0.118 -5.370 6.376 1.00 0.00 H new ATOM 0 HB ILE A 53 0.573 -4.356 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.446 -2.783 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.430 -2.310 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.636 -5.116 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.016 -6.217 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.310 -5.060 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.152 -0.741 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.918 -1.580 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.902 -2.060 3.094 1.00 0.00 H new ATOM 801 N LYS A 54 2.359 -3.876 5.747 1.00 0.00 N ATOM 802 CA LYS A 54 3.596 -3.087 5.754 1.00 0.00 C ATOM 803 C LYS A 54 4.108 -2.943 4.325 1.00 0.00 C ATOM 804 O LYS A 54 4.319 -3.944 3.630 1.00 0.00 O ATOM 805 CB LYS A 54 4.694 -3.698 6.676 1.00 0.00 C ATOM 806 CG LYS A 54 4.427 -3.505 8.182 1.00 0.00 C ATOM 807 CD LYS A 54 5.562 -4.044 9.064 1.00 0.00 C ATOM 808 CE LYS A 54 5.303 -3.806 10.555 1.00 0.00 C ATOM 809 NZ LYS A 54 6.402 -4.336 11.384 1.00 0.00 N ATOM 0 H LYS A 54 2.382 -4.666 5.102 1.00 0.00 H new ATOM 0 HA LYS A 54 3.364 -2.105 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.778 -4.764 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.655 -3.247 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.286 -2.444 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.497 -4.007 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.683 -5.112 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.499 -3.565 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.188 -2.738 10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.366 -4.282 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.196 -4.159 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.494 -5.360 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.291 -3.864 11.125 1.00 0.00 H new ATOM 823 N LEU A 55 4.260 -1.692 3.880 1.00 0.00 N ATOM 824 CA LEU A 55 4.935 -1.379 2.629 1.00 0.00 C ATOM 825 C LEU A 55 6.436 -1.601 2.836 1.00 0.00 C ATOM 826 O LEU A 55 6.974 -1.147 3.858 1.00 0.00 O ATOM 827 CB LEU A 55 4.664 0.101 2.214 1.00 0.00 C ATOM 828 CG LEU A 55 3.164 0.515 2.103 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.017 1.995 1.670 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.389 -0.437 1.166 1.00 0.00 C ATOM 0 H LEU A 55 3.917 -0.872 4.381 1.00 0.00 H new ATOM 0 HA LEU A 55 4.560 -2.022 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.149 0.755 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.143 0.281 1.251 1.00 0.00 H new ATOM 0 HG LEU A 55 2.720 0.425 3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.960 2.251 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.500 2.639 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.488 2.138 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.347 -0.123 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.832 -0.408 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.441 -1.453 1.556 1.00 0.00 H new ATOM 842 N PRO A 56 7.148 -2.307 1.908 1.00 0.00 N ATOM 843 CA PRO A 56 8.622 -2.313 1.897 1.00 0.00 C ATOM 844 C PRO A 56 9.148 -0.962 1.369 1.00 0.00 C ATOM 845 O PRO A 56 9.893 -0.920 0.404 1.00 0.00 O ATOM 846 CB PRO A 56 8.970 -3.511 0.973 1.00 0.00 C ATOM 847 CG PRO A 56 7.798 -3.637 0.048 1.00 0.00 C ATOM 848 CD PRO A 56 6.586 -3.178 0.837 1.00 0.00 C ATOM 0 HA PRO A 56 9.081 -2.427 2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.892 -3.329 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.119 -4.424 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.937 -3.025 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.676 -4.667 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.886 -2.630 0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.042 -4.024 1.257 1.00 0.00 H new ATOM 856 N LEU A 57 8.769 0.127 2.073 1.00 0.00 N ATOM 857 CA LEU A 57 9.019 1.526 1.672 1.00 0.00 C ATOM 858 C LEU A 57 10.529 1.792 1.670 1.00 0.00 C ATOM 859 O LEU A 57 11.040 2.474 0.783 1.00 0.00 O ATOM 860 CB LEU A 57 8.259 2.472 2.669 1.00 0.00 C ATOM 861 CG LEU A 57 8.030 3.976 2.272 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.306 4.838 2.356 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.371 4.079 0.885 1.00 0.00 C ATOM 0 H LEU A 57 8.268 0.054 2.958 1.00 0.00 H new ATOM 0 HA LEU A 57 8.650 1.717 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.281 2.030 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.804 2.461 3.613 1.00 0.00 H new ATOM 0 HG LEU A 57 7.348 4.390 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.072 5.863 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.687 4.826 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.062 4.435 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.222 5.128 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.016 3.613 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.408 3.569 0.901 1.00 0.00 H new ATOM 875 N GLU A 58 11.216 1.213 2.673 1.00 0.00 N ATOM 876 CA GLU A 58 12.682 1.286 2.821 1.00 0.00 C ATOM 877 C GLU A 58 13.355 0.754 1.537 1.00 0.00 C ATOM 878 O GLU A 58 14.176 1.435 0.915 1.00 0.00 O ATOM 879 CB GLU A 58 13.129 0.437 4.050 1.00 0.00 C ATOM 880 CG GLU A 58 12.355 0.715 5.352 1.00 0.00 C ATOM 881 CD GLU A 58 12.764 -0.223 6.504 1.00 0.00 C ATOM 882 OE1 GLU A 58 12.382 -1.413 6.476 1.00 0.00 O ATOM 883 OE2 GLU A 58 13.489 0.210 7.426 1.00 0.00 O ATOM 0 H GLU A 58 10.763 0.675 3.412 1.00 0.00 H new ATOM 0 HA GLU A 58 12.981 2.322 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.023 -0.619 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.189 0.617 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.523 1.749 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.287 0.607 5.164 1.00 0.00 H new ATOM 890 N LYS A 59 12.880 -0.432 1.112 1.00 0.00 N ATOM 891 CA LYS A 59 13.415 -1.154 -0.049 1.00 0.00 C ATOM 892 C LYS A 59 13.089 -0.397 -1.351 1.00 0.00 C ATOM 893 O LYS A 59 13.959 -0.216 -2.186 1.00 0.00 O ATOM 894 CB LYS A 59 12.842 -2.591 -0.102 1.00 0.00 C ATOM 895 CG LYS A 59 13.380 -3.445 -1.270 1.00 0.00 C ATOM 896 CD LYS A 59 12.808 -4.876 -1.280 1.00 0.00 C ATOM 897 CE LYS A 59 13.313 -5.693 -2.482 1.00 0.00 C ATOM 898 NZ LYS A 59 12.835 -5.129 -3.774 1.00 0.00 N ATOM 0 H LYS A 59 12.108 -0.916 1.571 1.00 0.00 H new ATOM 0 HA LYS A 59 14.498 -1.217 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.070 -3.096 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.756 -2.534 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.137 -2.956 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.467 -3.494 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.085 -5.383 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.719 -4.831 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.403 -5.714 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.974 -6.725 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.212 -5.817 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.308 -4.250 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.650 -4.925 -4.387 1.00 0.00 H new ATOM 912 N TRP A 60 11.825 0.069 -1.456 1.00 0.00 N ATOM 913 CA TRP A 60 11.303 0.832 -2.616 1.00 0.00 C ATOM 914 C TRP A 60 12.166 2.062 -2.884 1.00 0.00 C ATOM 915 O TRP A 60 12.565 2.318 -4.018 1.00 0.00 O ATOM 916 CB TRP A 60 9.837 1.291 -2.365 1.00 0.00 C ATOM 917 CG TRP A 60 8.793 0.203 -2.434 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.961 -1.087 -2.840 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.404 0.344 -2.123 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.769 -1.756 -2.788 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.797 -0.900 -2.355 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.617 1.404 -1.667 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.444 -1.122 -2.146 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.270 1.189 -1.463 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.697 -0.068 -1.704 1.00 0.00 C ATOM 0 H TRP A 60 11.126 -0.076 -0.727 1.00 0.00 H new ATOM 0 HA TRP A 60 11.331 0.171 -3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.785 1.758 -1.382 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.585 2.059 -3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.899 -1.518 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.629 -2.736 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.055 2.373 -1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.999 -2.090 -2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 4.648 2.000 -1.113 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.639 -0.206 -1.536 1.00 0.00 H new ATOM 936 N THR A 61 12.466 2.791 -1.803 1.00 0.00 N ATOM 937 CA THR A 61 13.232 4.036 -1.864 1.00 0.00 C ATOM 938 C THR A 61 14.692 3.749 -2.271 1.00 0.00 C ATOM 939 O THR A 61 15.281 4.517 -3.034 1.00 0.00 O ATOM 940 CB THR A 61 13.164 4.808 -0.504 1.00 0.00 C ATOM 941 OG1 THR A 61 11.788 5.048 -0.147 1.00 0.00 O ATOM 942 CG2 THR A 61 13.903 6.157 -0.552 1.00 0.00 C ATOM 0 H THR A 61 12.182 2.531 -0.859 1.00 0.00 H new ATOM 0 HA THR A 61 12.785 4.676 -2.625 1.00 0.00 H new ATOM 0 HB THR A 61 13.655 4.181 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.351 4.196 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.824 6.650 0.417 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.954 5.988 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.456 6.790 -1.318 1.00 0.00 H new ATOM 950 N GLN A 62 15.244 2.594 -1.833 1.00 0.00 N ATOM 951 CA GLN A 62 16.626 2.205 -2.182 1.00 0.00 C ATOM 952 C GLN A 62 16.705 1.817 -3.667 1.00 0.00 C ATOM 953 O GLN A 62 17.689 2.125 -4.333 1.00 0.00 O ATOM 954 CB GLN A 62 17.130 1.031 -1.296 1.00 0.00 C ATOM 955 CG GLN A 62 17.255 1.354 0.200 1.00 0.00 C ATOM 956 CD GLN A 62 18.129 2.580 0.486 1.00 0.00 C ATOM 957 OE1 GLN A 62 17.624 3.703 0.570 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.443 2.396 0.588 1.00 0.00 N ATOM 0 H GLN A 62 14.756 1.921 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 62 17.272 3.064 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.449 0.188 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.104 0.709 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.260 1.522 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.673 0.490 0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.834 1.457 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.060 3.194 0.739 1.00 0.00 H new ATOM 967 N GLU A 63 15.652 1.130 -4.155 1.00 0.00 N ATOM 968 CA GLU A 63 15.499 0.747 -5.579 1.00 0.00 C ATOM 969 C GLU A 63 15.479 1.992 -6.477 1.00 0.00 C ATOM 970 O GLU A 63 16.151 2.044 -7.511 1.00 0.00 O ATOM 971 CB GLU A 63 14.189 -0.051 -5.792 1.00 0.00 C ATOM 972 CG GLU A 63 14.152 -1.427 -5.122 1.00 0.00 C ATOM 973 CD GLU A 63 12.790 -2.110 -5.300 1.00 0.00 C ATOM 974 OE1 GLU A 63 12.437 -2.446 -6.452 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.062 -2.313 -4.304 1.00 0.00 O ATOM 0 H GLU A 63 14.876 0.822 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 63 16.351 0.122 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.355 0.542 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.031 -0.181 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.933 -2.058 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.369 -1.320 -4.059 1.00 0.00 H new ATOM 982 N VAL A 64 14.696 2.982 -6.043 1.00 0.00 N ATOM 983 CA VAL A 64 14.558 4.273 -6.722 1.00 0.00 C ATOM 984 C VAL A 64 15.931 4.987 -6.830 1.00 0.00 C ATOM 985 O VAL A 64 16.357 5.366 -7.926 1.00 0.00 O ATOM 986 CB VAL A 64 13.492 5.166 -5.980 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.522 6.625 -6.466 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.072 4.568 -6.139 1.00 0.00 C ATOM 0 H VAL A 64 14.131 2.908 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 64 14.202 4.102 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 64 13.755 5.171 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.771 7.203 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.509 7.050 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.307 6.657 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.351 5.199 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.815 4.518 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.050 3.565 -5.712 1.00 0.00 H new ATOM 998 N ASN A 65 16.625 5.123 -5.687 1.00 0.00 N ATOM 999 CA ASN A 65 17.967 5.748 -5.624 1.00 0.00 C ATOM 1000 C ASN A 65 19.071 4.858 -6.250 1.00 0.00 C ATOM 1001 O ASN A 65 20.190 5.333 -6.451 1.00 0.00 O ATOM 1002 CB ASN A 65 18.334 6.150 -4.157 1.00 0.00 C ATOM 1003 CG ASN A 65 17.482 7.319 -3.615 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.761 8.483 -3.897 1.00 0.00 O ATOM 1005 ND2 ASN A 65 16.486 7.032 -2.785 1.00 0.00 N ATOM 0 H ASN A 65 16.278 4.806 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 65 17.917 6.655 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.206 5.284 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.387 6.427 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.936 7.784 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.270 6.060 -2.564 1.00 0.00 H new ATOM 1012 N ASP A 66 18.769 3.572 -6.550 1.00 0.00 N ATOM 1013 CA ASP A 66 19.716 2.656 -7.242 1.00 0.00 C ATOM 1014 C ASP A 66 19.468 2.629 -8.768 1.00 0.00 C ATOM 1015 O ASP A 66 20.289 2.098 -9.531 1.00 0.00 O ATOM 1016 CB ASP A 66 19.576 1.224 -6.649 1.00 0.00 C ATOM 1017 CG ASP A 66 20.681 0.247 -7.095 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.788 0.278 -6.512 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.454 -0.561 -8.020 1.00 0.00 O ATOM 0 H ASP A 66 17.873 3.141 -6.323 1.00 0.00 H new ATOM 0 HA ASP A 66 20.729 3.024 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.583 1.291 -5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.607 0.816 -6.938 1.00 0.00 H new ATOM 1024 N GLY A 67 18.352 3.241 -9.217 1.00 0.00 N ATOM 1025 CA GLY A 67 17.934 3.158 -10.630 1.00 0.00 C ATOM 1026 C GLY A 67 17.236 1.843 -11.011 1.00 0.00 C ATOM 1027 O GLY A 67 17.020 1.586 -12.205 1.00 0.00 O ATOM 0 H GLY A 67 17.730 3.793 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.261 3.988 -10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.812 3.286 -11.264 1.00 0.00 H new ATOM 1031 N LYS A 68 16.886 1.008 -10.006 1.00 0.00 N ATOM 1032 CA LYS A 68 16.027 -0.189 -10.213 1.00 0.00 C ATOM 1033 C LYS A 68 14.594 0.241 -10.572 1.00 0.00 C ATOM 1034 O LYS A 68 13.877 -0.477 -11.275 1.00 0.00 O ATOM 1035 CB LYS A 68 15.985 -1.093 -8.951 1.00 0.00 C ATOM 1036 CG LYS A 68 17.329 -1.721 -8.547 1.00 0.00 C ATOM 1037 CD LYS A 68 17.224 -2.521 -7.226 1.00 0.00 C ATOM 1038 CE LYS A 68 18.559 -3.128 -6.770 1.00 0.00 C ATOM 1039 NZ LYS A 68 18.439 -3.733 -5.421 1.00 0.00 N ATOM 0 H LYS A 68 17.184 1.139 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 68 16.462 -0.761 -11.032 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.612 -0.503 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.265 -1.894 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.674 -2.380 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.077 -0.936 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.846 -1.865 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.494 -3.321 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.880 -3.886 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.328 -2.355 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.355 -4.135 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.156 -3.003 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.722 -4.486 -5.441 1.00 0.00 H new ATOM 1053 N ALA A 69 14.200 1.416 -10.067 1.00 0.00 N ATOM 1054 CA ALA A 69 12.884 2.015 -10.319 1.00 0.00 C ATOM 1055 C ALA A 69 12.998 3.547 -10.326 1.00 0.00 C ATOM 1056 O ALA A 69 14.033 4.110 -9.943 1.00 0.00 O ATOM 1057 CB ALA A 69 11.875 1.552 -9.254 1.00 0.00 C ATOM 0 H ALA A 69 14.794 1.985 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 69 12.526 1.688 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.903 2.004 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.784 0.466 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.222 1.858 -8.267 1.00 0.00 H new ATOM 1063 N THR A 70 11.929 4.203 -10.783 1.00 0.00 N ATOM 1064 CA THR A 70 11.778 5.666 -10.711 1.00 0.00 C ATOM 1065 C THR A 70 10.961 6.046 -9.458 1.00 0.00 C ATOM 1066 O THR A 70 10.263 5.188 -8.899 1.00 0.00 O ATOM 1067 CB THR A 70 11.061 6.201 -11.988 1.00 0.00 C ATOM 1068 OG1 THR A 70 9.794 5.534 -12.153 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.912 6.011 -13.258 1.00 0.00 C ATOM 0 H THR A 70 11.135 3.734 -11.218 1.00 0.00 H new ATOM 0 HA THR A 70 12.768 6.117 -10.648 1.00 0.00 H new ATOM 0 HB THR A 70 10.908 7.271 -11.850 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.347 5.875 -12.956 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.370 6.399 -14.121 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.854 6.549 -13.149 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.115 4.950 -13.404 1.00 0.00 H new ATOM 1077 N THR A 71 11.060 7.324 -9.014 1.00 0.00 N ATOM 1078 CA THR A 71 10.197 7.850 -7.934 1.00 0.00 C ATOM 1079 C THR A 71 8.716 7.630 -8.307 1.00 0.00 C ATOM 1080 O THR A 71 7.944 7.114 -7.511 1.00 0.00 O ATOM 1081 CB THR A 71 10.454 9.373 -7.632 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.282 10.155 -8.828 1.00 0.00 O ATOM 1083 CG2 THR A 71 11.847 9.635 -7.037 1.00 0.00 C ATOM 0 H THR A 71 11.725 8.003 -9.386 1.00 0.00 H new ATOM 0 HA THR A 71 10.445 7.303 -7.025 1.00 0.00 H new ATOM 0 HB THR A 71 9.720 9.672 -6.884 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.488 10.722 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.968 10.702 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.951 9.088 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.611 9.301 -7.739 1.00 0.00 H new ATOM 1091 N GLU A 72 8.375 7.998 -9.564 1.00 0.00 N ATOM 1092 CA GLU A 72 7.033 7.831 -10.170 1.00 0.00 C ATOM 1093 C GLU A 72 6.379 6.469 -9.848 1.00 0.00 C ATOM 1094 O GLU A 72 5.222 6.410 -9.400 1.00 0.00 O ATOM 1095 CB GLU A 72 7.099 8.009 -11.724 1.00 0.00 C ATOM 1096 CG GLU A 72 7.687 9.358 -12.231 1.00 0.00 C ATOM 1097 CD GLU A 72 9.215 9.341 -12.490 1.00 0.00 C ATOM 1098 OE1 GLU A 72 10.003 9.596 -11.554 1.00 0.00 O ATOM 1099 OE2 GLU A 72 9.633 9.061 -13.639 1.00 0.00 O ATOM 0 H GLU A 72 9.043 8.431 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 72 6.411 8.608 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.696 7.197 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.091 7.901 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.179 9.636 -13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.465 10.134 -11.498 1.00 0.00 H new ATOM 1106 N GLN A 73 7.159 5.405 -10.041 1.00 0.00 N ATOM 1107 CA GLN A 73 6.682 4.012 -9.942 1.00 0.00 C ATOM 1108 C GLN A 73 6.031 3.690 -8.568 1.00 0.00 C ATOM 1109 O GLN A 73 5.122 2.855 -8.491 1.00 0.00 O ATOM 1110 CB GLN A 73 7.851 3.033 -10.226 1.00 0.00 C ATOM 1111 CG GLN A 73 7.414 1.588 -10.557 1.00 0.00 C ATOM 1112 CD GLN A 73 8.586 0.638 -10.799 1.00 0.00 C ATOM 1113 OE1 GLN A 73 9.105 0.542 -11.910 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.999 -0.081 -9.768 1.00 0.00 N ATOM 0 H GLN A 73 8.150 5.479 -10.273 1.00 0.00 H new ATOM 0 HA GLN A 73 5.902 3.887 -10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.438 3.421 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.508 3.010 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.808 1.203 -9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.779 1.603 -11.443 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.547 0.023 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.770 -0.739 -9.881 1.00 0.00 H new ATOM 1123 N TYR A 74 6.504 4.347 -7.488 1.00 0.00 N ATOM 1124 CA TYR A 74 5.994 4.112 -6.113 1.00 0.00 C ATOM 1125 C TYR A 74 5.318 5.360 -5.498 1.00 0.00 C ATOM 1126 O TYR A 74 4.485 5.223 -4.604 1.00 0.00 O ATOM 1127 CB TYR A 74 7.157 3.642 -5.191 1.00 0.00 C ATOM 1128 CG TYR A 74 7.821 2.324 -5.633 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.067 1.153 -5.749 1.00 0.00 C ATOM 1130 CD2 TYR A 74 9.184 2.248 -5.933 1.00 0.00 C ATOM 1131 CE1 TYR A 74 7.648 -0.037 -6.136 1.00 0.00 C ATOM 1132 CE2 TYR A 74 9.769 1.054 -6.322 1.00 0.00 C ATOM 1133 CZ TYR A 74 8.999 -0.082 -6.425 1.00 0.00 C ATOM 1134 OH TYR A 74 9.573 -1.275 -6.819 1.00 0.00 O ATOM 0 H TYR A 74 7.242 5.049 -7.539 1.00 0.00 H new ATOM 0 HA TYR A 74 5.231 3.337 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.916 4.424 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.776 3.521 -4.177 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.009 1.180 -5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.793 3.137 -5.860 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.048 -0.932 -6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.825 1.015 -6.544 1.00 0.00 H new ATOM 0 HH TYR A 74 10.498 -1.314 -6.499 1.00 0.00 H new ATOM 1144 N PHE A 75 5.663 6.564 -5.977 1.00 0.00 N ATOM 1145 CA PHE A 75 5.248 7.841 -5.343 1.00 0.00 C ATOM 1146 C PHE A 75 4.116 8.544 -6.123 1.00 0.00 C ATOM 1147 O PHE A 75 3.666 9.605 -5.705 1.00 0.00 O ATOM 1148 CB PHE A 75 6.468 8.793 -5.192 1.00 0.00 C ATOM 1149 CG PHE A 75 7.514 8.372 -4.146 1.00 0.00 C ATOM 1150 CD1 PHE A 75 8.534 7.467 -4.449 1.00 0.00 C ATOM 1151 CD2 PHE A 75 7.487 8.911 -2.858 1.00 0.00 C ATOM 1152 CE1 PHE A 75 9.486 7.112 -3.503 1.00 0.00 C ATOM 1153 CE2 PHE A 75 8.440 8.558 -1.916 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.437 7.660 -2.237 1.00 0.00 C ATOM 0 H PHE A 75 6.236 6.689 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 75 4.857 7.596 -4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.962 8.878 -6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.101 9.786 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.583 7.035 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.711 9.614 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.264 6.408 -3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.402 8.988 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.177 7.386 -1.500 1.00 0.00 H new ATOM 1164 N VAL A 76 3.624 7.944 -7.227 1.00 0.00 N ATOM 1165 CA VAL A 76 2.421 8.466 -7.916 1.00 0.00 C ATOM 1166 C VAL A 76 1.229 7.762 -7.272 1.00 0.00 C ATOM 1167 O VAL A 76 1.194 6.547 -7.234 1.00 0.00 O ATOM 1168 CB VAL A 76 2.434 8.248 -9.477 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.068 8.603 -10.117 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.560 9.075 -10.137 1.00 0.00 C ATOM 0 H VAL A 76 4.031 7.113 -7.656 1.00 0.00 H new ATOM 0 HA VAL A 76 2.376 9.549 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 76 2.623 7.189 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.117 8.440 -11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.290 7.970 -9.689 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.834 9.649 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.550 8.909 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.402 10.134 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.524 8.767 -9.731 1.00 0.00 H new ATOM 1180 N LEU A 77 0.282 8.549 -6.766 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.727 8.099 -5.780 1.00 0.00 C ATOM 1182 C LEU A 77 -1.650 6.955 -6.267 1.00 0.00 C ATOM 1183 O LEU A 77 -2.216 6.243 -5.436 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.538 9.320 -5.293 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.680 10.528 -4.794 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.564 11.659 -4.265 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.386 10.095 -3.751 1.00 0.00 C ATOM 0 H LEU A 77 0.183 9.531 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.178 7.655 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.178 9.660 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.195 9.001 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.136 10.914 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.936 12.483 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.223 12.008 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.163 11.293 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.958 10.966 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.109 9.651 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.058 9.364 -4.200 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.796 6.779 -7.597 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.524 5.613 -8.173 1.00 0.00 C ATOM 1201 C LYS A 78 -1.643 4.344 -8.093 1.00 0.00 C ATOM 1202 O LYS A 78 -2.127 3.259 -7.756 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.963 5.881 -9.647 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.792 6.112 -10.628 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.232 6.436 -12.069 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.024 6.654 -12.999 1.00 0.00 C ATOM 1207 NZ LYS A 78 -1.429 7.064 -14.362 1.00 0.00 N ATOM 0 H LYS A 78 -1.424 7.423 -8.295 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.428 5.457 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.553 5.034 -9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.615 6.754 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.176 6.930 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.164 5.221 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.845 5.621 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.855 7.330 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.373 7.416 -12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.443 5.734 -13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.582 7.198 -14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.029 6.326 -14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.961 7.956 -14.312 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.336 4.514 -8.379 1.00 0.00 N ATOM 1222 CA ASN A 79 0.657 3.418 -8.374 1.00 0.00 C ATOM 1223 C ASN A 79 0.903 2.953 -6.940 1.00 0.00 C ATOM 1224 O ASN A 79 0.952 1.756 -6.669 1.00 0.00 O ATOM 1225 CB ASN A 79 1.999 3.866 -9.017 1.00 0.00 C ATOM 1226 CG ASN A 79 1.870 4.312 -10.473 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.978 3.870 -11.203 1.00 0.00 O ATOM 1228 ND2 ASN A 79 2.774 5.173 -10.910 1.00 0.00 N ATOM 0 H ASN A 79 0.063 5.421 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 79 0.256 2.595 -8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.415 4.686 -8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.710 3.042 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.748 5.492 -11.878 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.497 5.518 -10.279 1.00 0.00 H new ATOM 1235 N LEU A 80 1.040 3.939 -6.039 1.00 0.00 N ATOM 1236 CA LEU A 80 1.168 3.729 -4.593 1.00 0.00 C ATOM 1237 C LEU A 80 -0.041 2.933 -4.070 1.00 0.00 C ATOM 1238 O LEU A 80 0.129 1.871 -3.485 1.00 0.00 O ATOM 1239 CB LEU A 80 1.272 5.099 -3.862 1.00 0.00 C ATOM 1240 CG LEU A 80 1.398 5.046 -2.305 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.693 4.325 -1.851 1.00 0.00 C ATOM 1242 CD2 LEU A 80 1.274 6.460 -1.690 1.00 0.00 C ATOM 0 H LEU A 80 1.065 4.924 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 80 2.076 3.159 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.136 5.633 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.391 5.689 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 80 0.566 4.451 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.739 4.311 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.691 3.302 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.561 4.854 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.365 6.394 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.065 7.098 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.304 6.885 -1.947 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.255 3.436 -4.386 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.531 2.837 -3.927 1.00 0.00 C ATOM 1256 C ALA A 81 -2.691 1.391 -4.421 1.00 0.00 C ATOM 1257 O ALA A 81 -3.233 0.537 -3.709 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.717 3.685 -4.406 1.00 0.00 C ATOM 0 H ALA A 81 -1.379 4.267 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.512 2.819 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.648 3.235 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.630 4.693 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.716 3.730 -5.495 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.194 1.132 -5.642 1.00 0.00 N ATOM 1265 CA ALA A 82 -2.231 -0.204 -6.244 1.00 0.00 C ATOM 1266 C ALA A 82 -1.289 -1.151 -5.483 1.00 0.00 C ATOM 1267 O ALA A 82 -1.708 -2.226 -5.074 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.864 -0.133 -7.731 1.00 0.00 C ATOM 0 H ALA A 82 -1.759 1.840 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.244 -0.599 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.896 -1.134 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.575 0.509 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.859 0.276 -7.839 1.00 0.00 H new ATOM 1274 N ARG A 83 -0.030 -0.697 -5.259 1.00 0.00 N ATOM 1275 CA ARG A 83 1.014 -1.460 -4.520 1.00 0.00 C ATOM 1276 C ARG A 83 0.516 -1.873 -3.118 1.00 0.00 C ATOM 1277 O ARG A 83 0.708 -3.015 -2.689 1.00 0.00 O ATOM 1278 CB ARG A 83 2.314 -0.612 -4.381 1.00 0.00 C ATOM 1279 CG ARG A 83 3.091 -0.319 -5.696 1.00 0.00 C ATOM 1280 CD ARG A 83 3.996 -1.481 -6.167 1.00 0.00 C ATOM 1281 NE ARG A 83 3.252 -2.677 -6.624 1.00 0.00 N ATOM 1282 CZ ARG A 83 3.796 -3.886 -6.831 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.065 -4.137 -6.546 1.00 0.00 N ATOM 1284 NH2 ARG A 83 3.048 -4.861 -7.320 1.00 0.00 N ATOM 0 H ARG A 83 0.293 0.213 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 83 1.230 -2.362 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.053 0.340 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.986 -1.127 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.375 -0.088 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.705 0.570 -5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.630 -1.127 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.657 -1.768 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 83 2.252 -2.574 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.656 -3.401 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.451 -5.066 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.066 -4.691 -7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.453 -5.783 -7.481 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.146 -0.920 -2.438 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.722 -1.116 -1.094 1.00 0.00 C ATOM 1300 C ILE A 84 -1.818 -2.196 -1.144 1.00 0.00 C ATOM 1301 O ILE A 84 -1.771 -3.164 -0.392 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.329 0.225 -0.536 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.234 1.341 -0.487 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.984 0.026 0.860 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.749 2.736 -0.244 1.00 0.00 C ATOM 0 H ILE A 84 -0.298 0.018 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 84 0.078 -1.437 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.118 0.541 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.480 1.093 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.313 1.332 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.391 0.975 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.787 -0.707 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.234 -0.330 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.087 3.435 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.438 3.013 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.269 2.770 0.713 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.765 -2.025 -2.088 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.926 -2.927 -2.257 1.00 0.00 C ATOM 1319 C ASP A 85 -3.473 -4.353 -2.656 1.00 0.00 C ATOM 1320 O ASP A 85 -4.109 -5.337 -2.281 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.894 -2.335 -3.314 1.00 0.00 C ATOM 1322 CG ASP A 85 -6.242 -3.078 -3.388 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -7.149 -2.758 -2.587 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -6.406 -3.990 -4.230 1.00 0.00 O ATOM 0 H ASP A 85 -2.748 -1.256 -2.758 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.449 -3.008 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.077 -1.286 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.415 -2.366 -4.293 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.346 -4.441 -3.387 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.720 -5.718 -3.788 1.00 0.00 C ATOM 1331 C GLU A 86 -1.101 -6.424 -2.570 1.00 0.00 C ATOM 1332 O GLU A 86 -1.062 -7.655 -2.527 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.645 -5.475 -4.888 1.00 0.00 C ATOM 1334 CG GLU A 86 -1.229 -5.045 -6.243 1.00 0.00 C ATOM 1335 CD GLU A 86 -0.156 -4.689 -7.287 1.00 0.00 C ATOM 1336 OE1 GLU A 86 0.297 -3.524 -7.318 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.258 -5.578 -8.067 1.00 0.00 O ATOM 0 H GLU A 86 -1.839 -3.621 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.493 -6.366 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.048 -4.708 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.067 -6.389 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.852 -5.850 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.879 -4.183 -6.093 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.617 -5.633 -1.592 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.070 -6.152 -0.321 1.00 0.00 C ATOM 1346 C LEU A 87 -1.195 -6.512 0.671 1.00 0.00 C ATOM 1347 O LEU A 87 -1.004 -7.368 1.530 1.00 0.00 O ATOM 1348 CB LEU A 87 0.923 -5.139 0.309 1.00 0.00 C ATOM 1349 CG LEU A 87 2.235 -4.903 -0.502 1.00 0.00 C ATOM 1350 CD1 LEU A 87 3.099 -3.811 0.141 1.00 0.00 C ATOM 1351 CD2 LEU A 87 3.040 -6.216 -0.675 1.00 0.00 C ATOM 0 H LEU A 87 -0.594 -4.616 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 87 0.477 -7.068 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.413 -4.183 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.189 -5.488 1.307 1.00 0.00 H new ATOM 0 HG LEU A 87 1.945 -4.559 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.006 -3.671 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.539 -2.876 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.367 -4.109 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.947 -6.014 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.307 -6.611 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.433 -6.948 -1.208 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.359 -5.841 0.552 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.565 -6.173 1.349 1.00 0.00 C ATOM 1365 C VAL A 88 -4.190 -7.483 0.806 1.00 0.00 C ATOM 1366 O VAL A 88 -4.682 -8.331 1.569 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.623 -5.002 1.334 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -5.876 -5.358 2.175 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -3.993 -3.667 1.818 1.00 0.00 C ATOM 0 H VAL A 88 -2.493 -5.061 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.264 -6.312 2.387 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.943 -4.868 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.583 -4.529 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.346 -6.253 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.581 -5.543 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.747 -2.880 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.623 -3.787 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.166 -3.396 1.162 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.104 -7.642 -0.522 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.544 -8.861 -1.229 1.00 0.00 C ATOM 1381 C ALA A 89 -3.572 -10.017 -0.931 1.00 0.00 C ATOM 1382 O ALA A 89 -3.990 -11.165 -0.757 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.640 -8.593 -2.742 1.00 0.00 C ATOM 0 H ALA A 89 -3.726 -6.927 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.535 -9.145 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.965 -9.500 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.360 -7.795 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.663 -8.294 -3.121 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.270 -9.679 -0.852 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.200 -10.620 -0.443 1.00 0.00 C ATOM 1391 C ALA A 90 -1.346 -11.020 1.034 1.00 0.00 C ATOM 1392 O ALA A 90 -0.913 -12.100 1.443 1.00 0.00 O ATOM 1393 CB ALA A 90 0.183 -9.992 -0.686 1.00 0.00 C ATOM 0 H ALA A 90 -1.926 -8.744 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.295 -11.521 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.960 -10.693 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.297 -9.762 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.274 -9.075 -0.104 1.00 0.00 H new ATOM 1399 N LYS A 91 -1.951 -10.113 1.829 1.00 0.00 N ATOM 1400 CA LYS A 91 -2.266 -10.350 3.244 1.00 0.00 C ATOM 1401 C LYS A 91 -3.542 -11.214 3.366 1.00 0.00 C ATOM 1402 O LYS A 91 -3.770 -11.852 4.399 1.00 0.00 O ATOM 1403 CB LYS A 91 -2.467 -9.005 3.986 1.00 0.00 C ATOM 1404 CG LYS A 91 -2.620 -9.134 5.524 1.00 0.00 C ATOM 1405 CD LYS A 91 -3.131 -7.848 6.203 1.00 0.00 C ATOM 1406 CE LYS A 91 -4.510 -7.410 5.684 1.00 0.00 C ATOM 1407 NZ LYS A 91 -5.105 -6.361 6.534 1.00 0.00 N ATOM 0 H LYS A 91 -2.235 -9.190 1.500 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.431 -10.881 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.618 -8.356 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.353 -8.513 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.308 -9.950 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.656 -9.404 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.187 -8.008 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.413 -7.045 6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.414 -7.040 4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.176 -8.272 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.124 -6.294 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.959 -6.601 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.652 -5.448 6.327 1.00 0.00 H new ATOM 1421 N GLY A 92 -4.359 -11.236 2.287 1.00 0.00 N ATOM 1422 CA GLY A 92 -5.529 -12.114 2.205 1.00 0.00 C ATOM 1423 C GLY A 92 -5.138 -13.589 2.199 1.00 0.00 C ATOM 1424 O GLY A 92 -5.883 -14.434 2.684 1.00 0.00 O ATOM 0 H GLY A 92 -4.221 -10.650 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.189 -11.918 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.092 -11.884 1.300 1.00 0.00 H new ATOM 1428 N ALA A 93 -3.966 -13.879 1.601 1.00 0.00 N ATOM 1429 CA ALA A 93 -3.265 -15.172 1.751 1.00 0.00 C ATOM 1430 C ALA A 93 -2.081 -14.991 2.729 1.00 0.00 C ATOM 1431 O ALA A 93 -1.988 -13.960 3.399 1.00 0.00 O ATOM 1432 CB ALA A 93 -2.794 -15.672 0.372 1.00 0.00 C ATOM 0 H ALA A 93 -3.475 -13.220 0.997 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.939 -15.924 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.278 -16.625 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.656 -15.803 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.114 -14.942 -0.067 1.00 0.00 H new ATOM 1438 N LEU A 94 -1.198 -16.015 2.831 1.00 0.00 N ATOM 1439 CA LEU A 94 0.025 -15.977 3.686 1.00 0.00 C ATOM 1440 C LEU A 94 -0.343 -15.897 5.191 1.00 0.00 C ATOM 1441 O LEU A 94 0.484 -15.492 6.027 1.00 0.00 O ATOM 1442 CB LEU A 94 0.968 -14.784 3.301 1.00 0.00 C ATOM 1443 CG LEU A 94 1.577 -14.792 1.865 1.00 0.00 C ATOM 1444 CD1 LEU A 94 2.396 -13.506 1.602 1.00 0.00 C ATOM 1445 CD2 LEU A 94 2.430 -16.062 1.628 1.00 0.00 C ATOM 0 H LEU A 94 -1.310 -16.893 2.324 1.00 0.00 H new ATOM 0 HA LEU A 94 0.564 -16.907 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.408 -13.857 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.790 -14.758 4.016 1.00 0.00 H new ATOM 0 HG LEU A 94 0.753 -14.811 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.809 -13.538 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.748 -12.635 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.209 -13.438 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.842 -16.041 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.244 -16.094 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.805 -16.947 1.746 1.00 0.00 H new ATOM 1457 N GLU A 95 -1.575 -16.327 5.521 1.00 0.00 N ATOM 1458 CA GLU A 95 -2.166 -16.142 6.852 1.00 0.00 C ATOM 1459 C GLU A 95 -1.554 -17.107 7.890 1.00 0.00 C ATOM 1460 O GLU A 95 -2.054 -18.212 8.124 1.00 0.00 O ATOM 1461 CB GLU A 95 -3.710 -16.263 6.778 1.00 0.00 C ATOM 1462 CG GLU A 95 -4.369 -15.234 5.837 1.00 0.00 C ATOM 1463 CD GLU A 95 -5.896 -15.184 5.969 1.00 0.00 C ATOM 1464 OE1 GLU A 95 -6.400 -14.431 6.832 1.00 0.00 O ATOM 1465 OE2 GLU A 95 -6.605 -15.894 5.229 1.00 0.00 O ATOM 0 H GLU A 95 -2.188 -16.814 4.867 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.927 -15.135 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.971 -17.267 6.444 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.123 -16.143 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.960 -14.246 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.108 -15.475 4.806 1.00 0.00 H new ATOM 1472 N HIS A 96 -0.439 -16.647 8.483 1.00 0.00 N ATOM 1473 CA HIS A 96 0.341 -17.363 9.512 1.00 0.00 C ATOM 1474 C HIS A 96 -0.080 -16.870 10.931 1.00 0.00 C ATOM 1475 O HIS A 96 0.733 -16.810 11.863 1.00 0.00 O ATOM 1476 CB HIS A 96 1.853 -17.108 9.209 1.00 0.00 C ATOM 1477 CG HIS A 96 2.834 -17.843 10.098 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.448 -17.245 11.182 1.00 0.00 N ATOM 1479 CD2 HIS A 96 3.300 -19.113 10.067 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.245 -18.108 11.768 1.00 0.00 C ATOM 1481 NE2 HIS A 96 4.174 -19.247 11.117 1.00 0.00 N ATOM 0 H HIS A 96 -0.041 -15.736 8.253 1.00 0.00 H new ATOM 0 HA HIS A 96 0.153 -18.436 9.491 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.049 -17.387 8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.046 -16.038 9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.034 -19.877 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.855 -17.915 12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.687 -20.096 11.354 1.00 0.00 H new ATOM 1490 N HIS A 97 -1.384 -16.520 11.066 1.00 0.00 N ATOM 1491 CA HIS A 97 -2.010 -16.031 12.330 1.00 0.00 C ATOM 1492 C HIS A 97 -1.501 -14.631 12.747 1.00 0.00 C ATOM 1493 O HIS A 97 -1.821 -14.160 13.850 1.00 0.00 O ATOM 1494 CB HIS A 97 -1.884 -17.064 13.493 1.00 0.00 C ATOM 1495 CG HIS A 97 -2.696 -18.323 13.294 1.00 0.00 C ATOM 1496 ND1 HIS A 97 -3.486 -18.872 14.279 1.00 0.00 N ATOM 1497 CD2 HIS A 97 -2.832 -19.134 12.218 1.00 0.00 C ATOM 1498 CE1 HIS A 97 -4.064 -19.966 13.822 1.00 0.00 C ATOM 1499 NE2 HIS A 97 -3.688 -20.147 12.574 1.00 0.00 N ATOM 0 H HIS A 97 -2.044 -16.569 10.290 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.073 -15.923 12.114 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.835 -17.336 13.610 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.195 -16.587 14.423 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.355 -19.007 11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.733 -20.606 14.378 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.984 -20.914 11.970 1.00 0.00 H new ATOM 1508 N HIS A 98 -0.762 -13.959 11.837 1.00 0.00 N ATOM 1509 CA HIS A 98 -0.332 -12.565 12.015 1.00 0.00 C ATOM 1510 C HIS A 98 -1.566 -11.674 11.788 1.00 0.00 C ATOM 1511 O HIS A 98 -1.951 -11.433 10.635 1.00 0.00 O ATOM 1512 CB HIS A 98 0.802 -12.223 11.015 1.00 0.00 C ATOM 1513 CG HIS A 98 1.321 -10.818 11.104 1.00 0.00 C ATOM 1514 ND1 HIS A 98 0.736 -9.755 10.454 1.00 0.00 N ATOM 1515 CD2 HIS A 98 2.379 -10.311 11.763 1.00 0.00 C ATOM 1516 CE1 HIS A 98 1.410 -8.658 10.711 1.00 0.00 C ATOM 1517 NE2 HIS A 98 2.413 -8.968 11.503 1.00 0.00 N ATOM 0 H HIS A 98 -0.449 -14.373 10.959 1.00 0.00 H new ATOM 0 HA HIS A 98 0.066 -12.402 13.017 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.631 -12.912 11.179 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.438 -12.397 10.002 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.072 -10.861 12.382 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.180 -7.671 10.337 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.105 -8.312 11.865 1.00 0.00 H new ATOM 1526 N HIS A 99 -2.193 -11.245 12.901 1.00 0.00 N ATOM 1527 CA HIS A 99 -3.526 -10.612 12.917 1.00 0.00 C ATOM 1528 C HIS A 99 -4.584 -11.623 12.429 1.00 0.00 C ATOM 1529 O HIS A 99 -4.887 -11.716 11.235 1.00 0.00 O ATOM 1530 CB HIS A 99 -3.562 -9.268 12.131 1.00 0.00 C ATOM 1531 CG HIS A 99 -4.933 -8.666 11.971 1.00 0.00 C ATOM 1532 ND1 HIS A 99 -5.581 -8.627 10.762 1.00 0.00 N ATOM 1533 CD2 HIS A 99 -5.766 -8.068 12.857 1.00 0.00 C ATOM 1534 CE1 HIS A 99 -6.744 -8.037 10.902 1.00 0.00 C ATOM 1535 NE2 HIS A 99 -6.885 -7.686 12.161 1.00 0.00 N ATOM 0 H HIS A 99 -1.780 -11.330 13.830 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.766 -10.339 13.945 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.922 -8.548 12.641 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.134 -9.430 11.142 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.584 -7.920 13.911 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.464 -7.868 10.115 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.695 -7.208 12.556 1.00 0.00 H new ATOM 1544 N HIS A 100 -5.070 -12.433 13.373 1.00 0.00 N ATOM 1545 CA HIS A 100 -6.112 -13.442 13.126 1.00 0.00 C ATOM 1546 C HIS A 100 -7.489 -12.814 13.437 1.00 0.00 C ATOM 1547 O HIS A 100 -7.819 -12.603 14.605 1.00 0.00 O ATOM 1548 CB HIS A 100 -5.828 -14.717 13.985 1.00 0.00 C ATOM 1549 CG HIS A 100 -5.697 -14.465 15.476 1.00 0.00 C ATOM 1550 ND1 HIS A 100 -4.609 -13.820 16.037 1.00 0.00 N ATOM 1551 CD2 HIS A 100 -6.539 -14.731 16.506 1.00 0.00 C ATOM 1552 CE1 HIS A 100 -4.795 -13.697 17.341 1.00 0.00 C ATOM 1553 NE2 HIS A 100 -5.958 -14.240 17.648 1.00 0.00 N ATOM 0 H HIS A 100 -4.750 -12.409 14.341 1.00 0.00 H new ATOM 0 HA HIS A 100 -6.110 -13.756 12.082 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -6.632 -15.434 13.822 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -4.909 -15.181 13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -7.491 -15.236 16.439 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.112 -13.232 18.036 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -6.360 -14.287 18.584 1.00 0.00 H new ATOM 1562 N HIS A 101 -8.247 -12.464 12.372 1.00 0.00 N ATOM 1563 CA HIS A 101 -9.555 -11.769 12.466 1.00 0.00 C ATOM 1564 C HIS A 101 -9.376 -10.324 13.024 1.00 0.00 C ATOM 1565 O HIS A 101 -9.266 -10.149 14.256 1.00 0.00 O ATOM 1566 CB HIS A 101 -10.598 -12.584 13.296 1.00 0.00 C ATOM 1567 CG HIS A 101 -11.932 -11.891 13.469 1.00 0.00 C ATOM 1568 ND1 HIS A 101 -12.186 -11.016 14.501 1.00 0.00 N ATOM 1569 CD2 HIS A 101 -13.072 -11.932 12.735 1.00 0.00 C ATOM 1570 CE1 HIS A 101 -13.411 -10.553 14.396 1.00 0.00 C ATOM 1571 NE2 HIS A 101 -13.975 -11.089 13.332 1.00 0.00 N ATOM 1572 OXT HIS A 101 -9.351 -9.370 12.230 1.00 0.00 O ATOM 0 H HIS A 101 -7.965 -12.658 11.411 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.957 -11.692 11.456 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.761 -13.546 12.809 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.179 -12.792 14.281 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.238 -12.520 11.845 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.878 -9.850 15.070 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.925 -10.907 13.007 1.00 0.00 H new TER 1581 HIS A 101 HETATM 1582 P24 PNS A 102 14.802 9.701 1.223 1.00 0.00 P HETATM 1583 O25 PNS A 102 14.894 9.833 -0.243 1.00 0.00 O HETATM 1584 O26 PNS A 102 14.751 8.337 1.792 1.00 0.00 O HETATM 1585 O27 PNS A 102 15.979 10.536 1.930 1.00 0.00 O HETATM 1586 C28 PNS A 102 16.182 11.943 1.718 1.00 0.00 C HETATM 1587 C29 PNS A 102 17.588 12.391 2.251 1.00 0.00 C HETATM 1588 C30 PNS A 102 18.698 11.697 1.401 1.00 0.00 C HETATM 1589 C31 PNS A 102 17.726 11.956 3.743 1.00 0.00 C HETATM 1590 C32 PNS A 102 17.761 13.964 2.164 1.00 0.00 C HETATM 1591 O33 PNS A 102 19.032 14.337 2.728 1.00 0.00 O HETATM 1592 C34 PNS A 102 17.676 14.507 0.715 1.00 0.00 C HETATM 1593 O35 PNS A 102 18.712 14.766 0.089 1.00 0.00 O HETATM 1594 N36 PNS A 102 16.443 14.683 0.213 1.00 0.00 N HETATM 1595 C37 PNS A 102 16.183 15.189 -1.157 1.00 0.00 C HETATM 1596 C38 PNS A 102 16.564 16.669 -1.358 1.00 0.00 C HETATM 1597 C39 PNS A 102 15.781 17.639 -0.459 1.00 0.00 C HETATM 1598 O40 PNS A 102 15.021 18.488 -0.954 1.00 0.00 O HETATM 1599 N41 PNS A 102 15.986 17.510 0.873 1.00 0.00 N HETATM 1600 C42 PNS A 102 15.329 18.356 1.891 1.00 0.00 C HETATM 1601 C43 PNS A 102 13.813 18.175 1.956 1.00 0.00 C HETATM 1602 S44 PNS A 102 13.056 19.226 3.204 1.00 0.00 S HETATM 0 H432 PNS A 102 13.380 18.401 0.982 1.00 0.00 H new HETATM 0 H431 PNS A 102 13.582 17.132 2.173 1.00 0.00 H new HETATM 0 H422 PNS A 102 15.552 19.402 1.680 1.00 0.00 H new HETATM 0 H421 PNS A 102 15.755 18.130 2.868 1.00 0.00 H new HETATM 0 H382 PNS A 102 16.397 16.939 -2.401 1.00 0.00 H new HETATM 0 H381 PNS A 102 17.630 16.789 -1.165 1.00 0.00 H new HETATM 0 H372 PNS A 102 15.125 15.062 -1.386 1.00 0.00 H new HETATM 0 H371 PNS A 102 16.739 14.581 -1.870 1.00 0.00 H new HETATM 0 H313 PNS A 102 18.700 12.263 4.123 1.00 0.00 H new HETATM 0 H312 PNS A 102 17.633 10.872 3.816 1.00 0.00 H new HETATM 0 H311 PNS A 102 16.941 12.428 4.334 1.00 0.00 H new HETATM 0 H303 PNS A 102 19.679 12.003 1.764 1.00 0.00 H new HETATM 0 H302 PNS A 102 18.591 11.988 0.356 1.00 0.00 H new HETATM 0 H301 PNS A 102 18.600 10.615 1.488 1.00 0.00 H new HETATM 0 H282 PNS A 102 15.399 12.508 2.224 1.00 0.00 H new HETATM 0 H281 PNS A 102 16.102 12.170 0.655 1.00 0.00 H new HETATM 0 H44 PNS A 102 11.771 19.032 3.213 1.00 0.00 H new HETATM 0 H41 PNS A 102 16.631 16.787 1.192 1.00 0.00 H new HETATM 0 H36 PNS A 102 15.643 14.457 0.805 1.00 0.00 H new HETATM 0 H33 PNS A 102 19.589 14.748 2.035 1.00 0.00 H new HETATM 0 H32 PNS A 102 16.936 14.404 2.724 1.00 0.00 H new