USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.085 (180deg=-0.202) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 110:sc= -1.75 USER MOD Single : A 15 SER OG : rot -110:sc= -0.7 USER MOD Single : A 17 GLN : amide:sc= -0.415 K(o=-0.42,f=-2.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.136 USER MOD Single : A 24 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0882 K(o=-0.088,f=-0.65) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.0329 (180deg=0.000563) USER MOD Single : A 50 MET CE :methyl -165:sc= -0.404 (180deg=-1.25) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 56 SER OG : rot 40:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc=-0.000563 (180deg=-0.0597) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 47:sc= 0.578 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.000971 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.972 4.407 -15.477 1.00 0.00 N ATOM 2 CA MET A 1 2.611 3.777 -14.180 1.00 0.00 C ATOM 3 C MET A 1 3.568 4.206 -13.073 1.00 0.00 C ATOM 4 O MET A 1 4.785 4.079 -13.208 1.00 0.00 O ATOM 5 CB MET A 1 2.647 2.257 -14.351 1.00 0.00 C ATOM 6 CG MET A 1 1.504 1.712 -15.193 1.00 0.00 C ATOM 7 SD MET A 1 2.062 0.570 -16.472 1.00 0.00 S ATOM 8 CE MET A 1 2.776 1.710 -17.655 1.00 0.00 C ATOM 0 H1 MET A 1 2.441 3.949 -16.245 1.00 0.00 H new ATOM 0 H2 MET A 1 2.736 5.419 -15.449 1.00 0.00 H new ATOM 0 H3 MET A 1 3.992 4.294 -15.646 1.00 0.00 H new ATOM 0 HA MET A 1 1.611 4.100 -13.891 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.594 1.974 -14.811 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.618 1.788 -13.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.791 1.203 -14.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.974 2.542 -15.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.166 1.153 -18.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.010 2.407 -17.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.587 2.265 -17.182 1.00 0.00 H new ATOM 20 N ARG A 2 3.011 4.714 -11.979 1.00 0.00 N ATOM 21 CA ARG A 2 3.815 5.161 -10.849 1.00 0.00 C ATOM 22 C ARG A 2 3.909 4.074 -9.783 1.00 0.00 C ATOM 23 O ARG A 2 3.168 3.091 -9.817 1.00 0.00 O ATOM 24 CB ARG A 2 3.219 6.434 -10.243 1.00 0.00 C ATOM 25 CG ARG A 2 2.781 7.456 -11.280 1.00 0.00 C ATOM 26 CD ARG A 2 3.960 7.970 -12.093 1.00 0.00 C ATOM 27 NE ARG A 2 3.857 7.597 -13.501 1.00 0.00 N ATOM 28 CZ ARG A 2 4.874 7.652 -14.359 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.070 8.063 -13.956 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.695 7.294 -15.624 1.00 0.00 N ATOM 0 H ARG A 2 2.005 4.826 -11.851 1.00 0.00 H new ATOM 0 HA ARG A 2 4.820 5.375 -11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.362 6.165 -9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.956 6.892 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.047 7.006 -11.948 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.289 8.292 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.013 9.055 -12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.887 7.572 -11.679 1.00 0.00 H new ATOM 0 HE ARG A 2 2.953 7.276 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.214 8.339 -12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.845 8.103 -14.618 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.778 6.977 -15.939 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.474 7.336 -16.281 1.00 0.00 H new ATOM 44 N ASN A 3 4.825 4.259 -8.838 1.00 0.00 N ATOM 45 CA ASN A 3 5.016 3.295 -7.760 1.00 0.00 C ATOM 46 C ASN A 3 4.673 3.917 -6.409 1.00 0.00 C ATOM 47 O ASN A 3 5.426 4.738 -5.884 1.00 0.00 O ATOM 48 CB ASN A 3 6.460 2.789 -7.749 1.00 0.00 C ATOM 49 CG ASN A 3 6.874 2.196 -9.082 1.00 0.00 C ATOM 50 OD1 ASN A 3 7.583 2.831 -9.863 1.00 0.00 O ATOM 51 ND2 ASN A 3 6.430 0.974 -9.350 1.00 0.00 N ATOM 0 H ASN A 3 5.446 5.067 -8.797 1.00 0.00 H new ATOM 0 HA ASN A 3 4.345 2.454 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.129 3.612 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.573 2.036 -6.969 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.674 0.525 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.845 0.484 -8.673 1.00 0.00 H new ATOM 58 N ILE A 4 3.533 3.520 -5.854 1.00 0.00 N ATOM 59 CA ILE A 4 3.090 4.040 -4.565 1.00 0.00 C ATOM 60 C ILE A 4 3.860 3.397 -3.417 1.00 0.00 C ATOM 61 O ILE A 4 3.956 2.173 -3.329 1.00 0.00 O ATOM 62 CB ILE A 4 1.583 3.805 -4.352 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.794 4.256 -5.583 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.102 4.539 -3.109 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.677 3.904 -5.520 1.00 0.00 C ATOM 0 H ILE A 4 2.900 2.841 -6.276 1.00 0.00 H new ATOM 0 HA ILE A 4 3.286 5.112 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 4 1.415 2.738 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.897 5.335 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.231 3.800 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.035 4.363 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.645 4.173 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.281 5.608 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.174 4.254 -6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.789 2.823 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.129 4.382 -4.651 1.00 0.00 H new ATOM 77 N TYR A 5 4.406 4.230 -2.538 1.00 0.00 N ATOM 78 CA TYR A 5 5.167 3.745 -1.393 1.00 0.00 C ATOM 79 C TYR A 5 4.389 3.957 -0.098 1.00 0.00 C ATOM 80 O TYR A 5 4.019 5.082 0.238 1.00 0.00 O ATOM 81 CB TYR A 5 6.518 4.458 -1.314 1.00 0.00 C ATOM 82 CG TYR A 5 7.385 3.993 -0.165 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.795 2.668 -0.072 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.792 4.876 0.826 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.587 2.239 0.976 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.584 4.455 1.877 1.00 0.00 C ATOM 87 CZ TYR A 5 8.979 3.136 1.948 1.00 0.00 C ATOM 88 OH TYR A 5 9.767 2.713 2.993 1.00 0.00 O ATOM 0 H TYR A 5 4.335 5.246 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 5 5.337 2.676 -1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.056 4.303 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.348 5.530 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.490 1.963 -0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.484 5.910 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.898 1.206 1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.892 5.156 2.639 1.00 0.00 H new ATOM 0 HH TYR A 5 9.954 3.469 3.588 1.00 0.00 H new ATOM 98 N VAL A 6 4.144 2.870 0.626 1.00 0.00 N ATOM 99 CA VAL A 6 3.409 2.939 1.883 1.00 0.00 C ATOM 100 C VAL A 6 4.121 2.157 2.983 1.00 0.00 C ATOM 101 O VAL A 6 4.745 1.128 2.723 1.00 0.00 O ATOM 102 CB VAL A 6 1.974 2.398 1.722 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.995 0.935 1.302 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.184 2.580 3.010 1.00 0.00 C ATOM 0 H VAL A 6 4.444 1.931 0.364 1.00 0.00 H new ATOM 0 HA VAL A 6 3.363 3.990 2.167 1.00 0.00 H new ATOM 0 HB VAL A 6 1.479 2.969 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.973 0.573 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.517 0.837 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.510 0.346 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.174 2.192 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.676 2.039 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.135 3.640 3.260 1.00 0.00 H new ATOM 114 N GLY A 7 4.022 2.653 4.212 1.00 0.00 N ATOM 115 CA GLY A 7 4.659 1.990 5.334 1.00 0.00 C ATOM 116 C GLY A 7 3.699 1.747 6.483 1.00 0.00 C ATOM 117 O GLY A 7 2.485 1.848 6.317 1.00 0.00 O ATOM 0 H GLY A 7 3.511 3.503 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.073 1.038 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.494 2.596 5.684 1.00 0.00 H new ATOM 121 N ASN A 8 4.245 1.427 7.652 1.00 0.00 N ATOM 122 CA ASN A 8 3.429 1.170 8.835 1.00 0.00 C ATOM 123 C ASN A 8 2.392 0.085 8.560 1.00 0.00 C ATOM 124 O ASN A 8 1.279 0.130 9.085 1.00 0.00 O ATOM 125 CB ASN A 8 2.730 2.454 9.285 1.00 0.00 C ATOM 126 CG ASN A 8 2.611 2.549 10.794 1.00 0.00 C ATOM 127 OD1 ASN A 8 1.519 2.427 11.350 1.00 0.00 O ATOM 128 ND2 ASN A 8 3.735 2.769 11.464 1.00 0.00 N ATOM 0 H ASN A 8 5.249 1.339 7.806 1.00 0.00 H new ATOM 0 HA ASN A 8 4.089 0.822 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.284 3.316 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.735 2.498 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.716 2.843 12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.618 2.864 10.962 1.00 0.00 H new ATOM 135 N LEU A 9 2.763 -0.890 7.736 1.00 0.00 N ATOM 136 CA LEU A 9 1.863 -1.985 7.394 1.00 0.00 C ATOM 137 C LEU A 9 2.285 -3.275 8.088 1.00 0.00 C ATOM 138 O LEU A 9 3.442 -3.686 8.006 1.00 0.00 O ATOM 139 CB LEU A 9 1.833 -2.194 5.879 1.00 0.00 C ATOM 140 CG LEU A 9 1.628 -0.924 5.052 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.530 -1.260 3.572 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.382 -0.182 5.515 1.00 0.00 C ATOM 0 H LEU A 9 3.680 -0.944 7.293 1.00 0.00 H new ATOM 0 HA LEU A 9 0.863 -1.720 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.770 -2.660 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.035 -2.897 5.641 1.00 0.00 H new ATOM 0 HG LEU A 9 2.491 -0.274 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.384 -0.344 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.449 -1.748 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.686 -1.930 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.251 0.719 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.490 -0.826 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.491 0.093 6.564 1.00 0.00 H new ATOM 154 N VAL A 10 1.337 -3.911 8.769 1.00 0.00 N ATOM 155 CA VAL A 10 1.609 -5.157 9.475 1.00 0.00 C ATOM 156 C VAL A 10 1.371 -6.362 8.562 1.00 0.00 C ATOM 157 O VAL A 10 1.199 -6.206 7.353 1.00 0.00 O ATOM 158 CB VAL A 10 0.742 -5.270 10.755 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.588 -5.958 10.473 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.504 -5.993 11.857 1.00 0.00 C ATOM 0 H VAL A 10 0.374 -3.584 8.847 1.00 0.00 H new ATOM 0 HA VAL A 10 2.658 -5.151 9.772 1.00 0.00 H new ATOM 0 HB VAL A 10 0.520 -4.258 11.095 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.168 -6.019 11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.144 -5.385 9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.404 -6.963 10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.878 -6.062 12.747 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.767 -6.996 11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.413 -5.440 12.094 1.00 0.00 H new ATOM 170 N TYR A 11 1.362 -7.559 9.142 1.00 0.00 N ATOM 171 CA TYR A 11 1.145 -8.783 8.374 1.00 0.00 C ATOM 172 C TYR A 11 -0.084 -8.657 7.478 1.00 0.00 C ATOM 173 O TYR A 11 -0.036 -8.986 6.292 1.00 0.00 O ATOM 174 CB TYR A 11 0.985 -9.977 9.319 1.00 0.00 C ATOM 175 CG TYR A 11 2.168 -10.919 9.311 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.257 -11.944 8.377 1.00 0.00 C ATOM 177 CD2 TYR A 11 3.194 -10.784 10.237 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.337 -12.808 8.367 1.00 0.00 C ATOM 179 CE2 TYR A 11 4.276 -11.642 10.233 1.00 0.00 C ATOM 180 CZ TYR A 11 4.342 -12.652 9.297 1.00 0.00 C ATOM 181 OH TYR A 11 5.419 -13.510 9.290 1.00 0.00 O ATOM 0 H TYR A 11 1.502 -7.708 10.141 1.00 0.00 H new ATOM 0 HA TYR A 11 2.016 -8.944 7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.832 -9.609 10.333 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.088 -10.531 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.470 -12.068 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.145 -9.995 10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.392 -13.600 7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.066 -11.522 10.959 1.00 0.00 H new ATOM 0 HH TYR A 11 6.038 -13.263 10.008 1.00 0.00 H new ATOM 191 N SER A 12 -1.182 -8.176 8.052 1.00 0.00 N ATOM 192 CA SER A 12 -2.424 -8.003 7.308 1.00 0.00 C ATOM 193 C SER A 12 -3.185 -6.778 7.806 1.00 0.00 C ATOM 194 O SER A 12 -4.328 -6.880 8.251 1.00 0.00 O ATOM 195 CB SER A 12 -3.298 -9.253 7.435 1.00 0.00 C ATOM 196 OG SER A 12 -4.132 -9.409 6.301 1.00 0.00 O ATOM 0 H SER A 12 -1.237 -7.899 9.032 1.00 0.00 H new ATOM 0 HA SER A 12 -2.175 -7.852 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.665 -10.133 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.910 -9.183 8.334 1.00 0.00 H new ATOM 0 HG SER A 12 -4.679 -10.215 6.406 1.00 0.00 H new ATOM 202 N ALA A 13 -2.539 -5.618 7.728 1.00 0.00 N ATOM 203 CA ALA A 13 -3.149 -4.371 8.172 1.00 0.00 C ATOM 204 C ALA A 13 -4.435 -4.081 7.406 1.00 0.00 C ATOM 205 O ALA A 13 -5.485 -3.845 8.004 1.00 0.00 O ATOM 206 CB ALA A 13 -2.168 -3.220 8.012 1.00 0.00 C ATOM 0 H ALA A 13 -1.593 -5.517 7.361 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.403 -4.477 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.636 -2.294 8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.278 -3.414 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.886 -3.125 6.963 1.00 0.00 H new ATOM 212 N THR A 14 -4.347 -4.100 6.078 1.00 0.00 N ATOM 213 CA THR A 14 -5.507 -3.837 5.230 1.00 0.00 C ATOM 214 C THR A 14 -5.117 -3.823 3.754 1.00 0.00 C ATOM 215 O THR A 14 -5.912 -4.199 2.892 1.00 0.00 O ATOM 216 CB THR A 14 -6.158 -2.503 5.608 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.251 -1.690 6.332 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.404 -2.663 6.451 1.00 0.00 C ATOM 0 H THR A 14 -3.486 -4.294 5.567 1.00 0.00 H new ATOM 0 HA THR A 14 -6.225 -4.642 5.390 1.00 0.00 H new ATOM 0 HB THR A 14 -6.436 -2.039 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.979 -0.929 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.815 -1.680 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.144 -3.245 5.901 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.153 -3.179 7.377 1.00 0.00 H new ATOM 226 N SER A 15 -3.893 -3.385 3.468 1.00 0.00 N ATOM 227 CA SER A 15 -3.405 -3.322 2.093 1.00 0.00 C ATOM 228 C SER A 15 -3.645 -4.636 1.359 1.00 0.00 C ATOM 229 O SER A 15 -4.255 -4.658 0.290 1.00 0.00 O ATOM 230 CB SER A 15 -1.915 -2.977 2.074 1.00 0.00 C ATOM 231 OG SER A 15 -1.562 -2.175 3.189 1.00 0.00 O ATOM 0 H SER A 15 -3.222 -3.069 4.169 1.00 0.00 H new ATOM 0 HA SER A 15 -3.961 -2.539 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.326 -3.894 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.672 -2.450 1.151 1.00 0.00 H new ATOM 0 HG SER A 15 -1.351 -1.267 2.885 1.00 0.00 H new ATOM 237 N GLU A 16 -3.168 -5.731 1.941 1.00 0.00 N ATOM 238 CA GLU A 16 -3.343 -7.047 1.341 1.00 0.00 C ATOM 239 C GLU A 16 -4.821 -7.432 1.293 1.00 0.00 C ATOM 240 O GLU A 16 -5.207 -8.361 0.584 1.00 0.00 O ATOM 241 CB GLU A 16 -2.555 -8.098 2.125 1.00 0.00 C ATOM 242 CG GLU A 16 -2.141 -9.297 1.289 1.00 0.00 C ATOM 243 CD GLU A 16 -2.927 -10.547 1.631 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.957 -10.922 2.822 1.00 0.00 O ATOM 245 OE2 GLU A 16 -3.514 -11.152 0.708 1.00 0.00 O ATOM 0 H GLU A 16 -2.659 -5.733 2.825 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.963 -7.006 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.663 -7.633 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.160 -8.442 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.278 -9.064 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.078 -9.489 1.437 1.00 0.00 H new ATOM 252 N GLN A 17 -5.643 -6.714 2.053 1.00 0.00 N ATOM 253 CA GLN A 17 -7.076 -6.981 2.097 1.00 0.00 C ATOM 254 C GLN A 17 -7.822 -6.165 1.045 1.00 0.00 C ATOM 255 O GLN A 17 -8.822 -6.617 0.489 1.00 0.00 O ATOM 256 CB GLN A 17 -7.628 -6.669 3.489 1.00 0.00 C ATOM 257 CG GLN A 17 -9.125 -6.908 3.621 1.00 0.00 C ATOM 258 CD GLN A 17 -9.865 -5.698 4.158 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.366 -4.575 4.103 1.00 0.00 O ATOM 260 NE2 GLN A 17 -11.064 -5.924 4.684 1.00 0.00 N ATOM 0 H GLN A 17 -5.340 -5.942 2.647 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.228 -8.038 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.105 -7.282 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.412 -5.628 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.533 -7.176 2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.296 -7.757 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.440 -6.872 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.609 -5.149 5.063 1.00 0.00 H new ATOM 269 N VAL A 18 -7.335 -4.955 0.784 1.00 0.00 N ATOM 270 CA VAL A 18 -7.964 -4.071 -0.192 1.00 0.00 C ATOM 271 C VAL A 18 -7.392 -4.273 -1.594 1.00 0.00 C ATOM 272 O VAL A 18 -8.036 -3.932 -2.586 1.00 0.00 O ATOM 273 CB VAL A 18 -7.801 -2.591 0.210 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.331 -2.205 0.256 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.570 -1.689 -0.743 1.00 0.00 C ATOM 0 H VAL A 18 -6.507 -4.565 1.235 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.023 -4.329 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.216 -2.460 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.239 -1.157 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.814 -2.827 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.885 -2.354 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.442 -0.649 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.191 -1.823 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.628 -1.948 -0.714 1.00 0.00 H new ATOM 285 N LYS A 19 -6.183 -4.824 -1.675 1.00 0.00 N ATOM 286 CA LYS A 19 -5.538 -5.060 -2.966 1.00 0.00 C ATOM 287 C LYS A 19 -6.487 -5.761 -3.936 1.00 0.00 C ATOM 288 O LYS A 19 -6.379 -5.597 -5.151 1.00 0.00 O ATOM 289 CB LYS A 19 -4.270 -5.894 -2.786 1.00 0.00 C ATOM 290 CG LYS A 19 -4.526 -7.271 -2.204 1.00 0.00 C ATOM 291 CD LYS A 19 -3.565 -8.304 -2.770 1.00 0.00 C ATOM 292 CE LYS A 19 -4.211 -9.120 -3.880 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.100 -10.583 -3.628 1.00 0.00 N ATOM 0 H LYS A 19 -5.632 -5.114 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.270 -4.091 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.777 -6.003 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.581 -5.356 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.424 -7.233 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.552 -7.572 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.677 -7.803 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.235 -8.970 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.262 -8.845 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.737 -8.878 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.552 -11.105 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.097 -10.850 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.574 -10.818 -2.733 1.00 0.00 H new ATOM 307 N GLU A 20 -7.416 -6.540 -3.391 1.00 0.00 N ATOM 308 CA GLU A 20 -8.384 -7.261 -4.210 1.00 0.00 C ATOM 309 C GLU A 20 -9.404 -6.300 -4.813 1.00 0.00 C ATOM 310 O GLU A 20 -9.888 -6.510 -5.925 1.00 0.00 O ATOM 311 CB GLU A 20 -9.098 -8.326 -3.375 1.00 0.00 C ATOM 312 CG GLU A 20 -8.412 -9.682 -3.404 1.00 0.00 C ATOM 313 CD GLU A 20 -8.427 -10.314 -4.781 1.00 0.00 C ATOM 314 OE1 GLU A 20 -9.531 -10.506 -5.335 1.00 0.00 O ATOM 315 OE2 GLU A 20 -7.337 -10.619 -5.308 1.00 0.00 O ATOM 0 H GLU A 20 -7.519 -6.688 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.846 -7.750 -5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.163 -7.983 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.119 -8.437 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.380 -9.570 -3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.905 -10.349 -2.697 1.00 0.00 H new ATOM 322 N LEU A 21 -9.724 -5.245 -4.071 1.00 0.00 N ATOM 323 CA LEU A 21 -10.684 -4.249 -4.531 1.00 0.00 C ATOM 324 C LEU A 21 -9.986 -3.150 -5.325 1.00 0.00 C ATOM 325 O LEU A 21 -10.559 -2.580 -6.253 1.00 0.00 O ATOM 326 CB LEU A 21 -11.429 -3.640 -3.342 1.00 0.00 C ATOM 327 CG LEU A 21 -12.765 -2.978 -3.685 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.761 -3.165 -2.551 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.564 -1.499 -3.982 1.00 0.00 C ATOM 0 H LEU A 21 -9.332 -5.058 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.402 -4.746 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.608 -4.423 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.784 -2.899 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.168 -3.457 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.705 -2.687 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.927 -4.229 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.366 -2.712 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.524 -1.043 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.139 -1.007 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.885 -1.387 -4.827 1.00 0.00 H new ATOM 341 N PHE A 22 -8.743 -2.859 -4.954 1.00 0.00 N ATOM 342 CA PHE A 22 -7.963 -1.829 -5.632 1.00 0.00 C ATOM 343 C PHE A 22 -7.778 -2.167 -7.110 1.00 0.00 C ATOM 344 O PHE A 22 -7.547 -1.282 -7.933 1.00 0.00 O ATOM 345 CB PHE A 22 -6.598 -1.667 -4.955 1.00 0.00 C ATOM 346 CG PHE A 22 -6.398 -0.318 -4.328 1.00 0.00 C ATOM 347 CD1 PHE A 22 -7.393 0.255 -3.551 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.214 0.377 -4.512 1.00 0.00 C ATOM 349 CE1 PHE A 22 -7.211 1.497 -2.972 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.026 1.619 -3.936 1.00 0.00 C ATOM 351 CZ PHE A 22 -6.025 2.179 -3.164 1.00 0.00 C ATOM 0 H PHE A 22 -8.254 -3.322 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.510 -0.889 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.487 -2.435 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.813 -1.836 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.321 -0.275 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.428 -0.057 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.995 1.933 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.099 2.151 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.879 3.149 -2.711 1.00 0.00 H new ATOM 361 N SER A 23 -7.882 -3.450 -7.440 1.00 0.00 N ATOM 362 CA SER A 23 -7.724 -3.899 -8.818 1.00 0.00 C ATOM 363 C SER A 23 -9.010 -3.689 -9.615 1.00 0.00 C ATOM 364 O SER A 23 -8.981 -3.601 -10.843 1.00 0.00 O ATOM 365 CB SER A 23 -7.329 -5.376 -8.852 1.00 0.00 C ATOM 366 OG SER A 23 -5.930 -5.534 -8.684 1.00 0.00 O ATOM 0 H SER A 23 -8.075 -4.197 -6.772 1.00 0.00 H new ATOM 0 HA SER A 23 -6.934 -3.305 -9.276 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.856 -5.915 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.637 -5.816 -9.801 1.00 0.00 H new ATOM 0 HG SER A 23 -5.703 -6.487 -8.708 1.00 0.00 H new ATOM 372 N GLN A 24 -10.136 -3.614 -8.913 1.00 0.00 N ATOM 373 CA GLN A 24 -11.428 -3.418 -9.563 1.00 0.00 C ATOM 374 C GLN A 24 -11.755 -1.933 -9.700 1.00 0.00 C ATOM 375 O GLN A 24 -12.329 -1.506 -10.703 1.00 0.00 O ATOM 376 CB GLN A 24 -12.530 -4.127 -8.771 1.00 0.00 C ATOM 377 CG GLN A 24 -13.193 -5.261 -9.535 1.00 0.00 C ATOM 378 CD GLN A 24 -14.625 -4.944 -9.923 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.407 -4.452 -9.109 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.976 -5.226 -11.173 1.00 0.00 N ATOM 0 H GLN A 24 -10.181 -3.686 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.372 -3.848 -10.563 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.106 -4.521 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.289 -3.398 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.616 -5.475 -10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.177 -6.164 -8.924 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.295 -5.633 -11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.926 -5.035 -11.491 1.00 0.00 H new ATOM 389 N PHE A 25 -11.391 -1.152 -8.688 1.00 0.00 N ATOM 390 CA PHE A 25 -11.653 0.283 -8.699 1.00 0.00 C ATOM 391 C PHE A 25 -10.395 1.068 -9.057 1.00 0.00 C ATOM 392 O PHE A 25 -10.471 2.140 -9.658 1.00 0.00 O ATOM 393 CB PHE A 25 -12.180 0.736 -7.337 1.00 0.00 C ATOM 394 CG PHE A 25 -13.296 1.738 -7.428 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.061 3.011 -7.923 1.00 0.00 C ATOM 396 CD2 PHE A 25 -14.577 1.407 -7.018 1.00 0.00 C ATOM 397 CE1 PHE A 25 -14.085 3.935 -8.009 1.00 0.00 C ATOM 398 CE2 PHE A 25 -15.605 2.327 -7.102 1.00 0.00 C ATOM 399 CZ PHE A 25 -15.359 3.593 -7.597 1.00 0.00 C ATOM 0 H PHE A 25 -10.914 -1.488 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.409 0.481 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.529 -0.136 -6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.360 1.169 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.067 3.284 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.775 0.419 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.890 4.923 -8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -16.600 2.056 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.161 4.314 -7.662 1.00 0.00 H new ATOM 409 N GLY A 26 -9.238 0.532 -8.683 1.00 0.00 N ATOM 410 CA GLY A 26 -7.983 1.201 -8.973 1.00 0.00 C ATOM 411 C GLY A 26 -7.275 0.617 -10.181 1.00 0.00 C ATOM 412 O GLY A 26 -6.482 1.298 -10.830 1.00 0.00 O ATOM 0 H GLY A 26 -9.147 -0.353 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.172 2.261 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.329 1.130 -8.104 1.00 0.00 H new ATOM 416 N LYS A 27 -7.560 -0.646 -10.482 1.00 0.00 N ATOM 417 CA LYS A 27 -6.942 -1.318 -11.619 1.00 0.00 C ATOM 418 C LYS A 27 -5.434 -1.442 -11.424 1.00 0.00 C ATOM 419 O LYS A 27 -4.662 -1.320 -12.376 1.00 0.00 O ATOM 420 CB LYS A 27 -7.244 -0.561 -12.915 1.00 0.00 C ATOM 421 CG LYS A 27 -7.666 -1.463 -14.063 1.00 0.00 C ATOM 422 CD LYS A 27 -7.944 -0.664 -15.325 1.00 0.00 C ATOM 423 CE LYS A 27 -8.786 -1.457 -16.312 1.00 0.00 C ATOM 424 NZ LYS A 27 -9.565 -0.567 -17.218 1.00 0.00 N ATOM 0 H LYS A 27 -8.214 -1.224 -9.955 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.363 -2.321 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.034 0.166 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.359 0.001 -13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.882 -2.195 -14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.559 -2.021 -13.780 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.460 0.260 -15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.001 -0.382 -15.794 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.138 -2.102 -16.906 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.469 -2.107 -15.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.126 -1.146 -17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.202 0.031 -16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.912 0.036 -17.758 1.00 0.00 H new ATOM 438 N VAL A 28 -5.021 -1.683 -10.184 1.00 0.00 N ATOM 439 CA VAL A 28 -3.606 -1.821 -9.863 1.00 0.00 C ATOM 440 C VAL A 28 -2.984 -2.992 -10.620 1.00 0.00 C ATOM 441 O VAL A 28 -3.533 -4.093 -10.641 1.00 0.00 O ATOM 442 CB VAL A 28 -3.392 -2.026 -8.349 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.065 -3.306 -7.877 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.907 -2.041 -8.014 1.00 0.00 C ATOM 0 H VAL A 28 -5.647 -1.787 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.118 -0.895 -10.168 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.851 -1.189 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.901 -3.430 -6.807 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.135 -3.249 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.642 -4.157 -8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.777 -2.187 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.421 -2.855 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.458 -1.092 -8.308 1.00 0.00 H new ATOM 454 N PHE A 29 -1.835 -2.744 -11.241 1.00 0.00 N ATOM 455 CA PHE A 29 -1.139 -3.776 -12.000 1.00 0.00 C ATOM 456 C PHE A 29 -0.468 -4.778 -11.066 1.00 0.00 C ATOM 457 O PHE A 29 -0.507 -5.986 -11.304 1.00 0.00 O ATOM 458 CB PHE A 29 -0.095 -3.144 -12.922 1.00 0.00 C ATOM 459 CG PHE A 29 -0.673 -2.159 -13.897 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.905 -0.845 -13.519 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.985 -2.544 -15.191 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.437 0.064 -14.414 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.517 -1.639 -16.090 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.743 -0.333 -15.700 1.00 0.00 C ATOM 0 H PHE A 29 -1.367 -1.838 -11.233 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.875 -4.306 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.658 -2.642 -12.314 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.415 -3.933 -13.475 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.667 -0.528 -12.514 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.810 -3.564 -15.501 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.613 1.084 -14.107 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.756 -1.952 -17.096 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.159 0.376 -16.400 1.00 0.00 H new ATOM 474 N ASN A 30 0.147 -4.269 -10.003 1.00 0.00 N ATOM 475 CA ASN A 30 0.827 -5.121 -9.034 1.00 0.00 C ATOM 476 C ASN A 30 0.812 -4.486 -7.647 1.00 0.00 C ATOM 477 O ASN A 30 0.834 -3.264 -7.512 1.00 0.00 O ATOM 478 CB ASN A 30 2.269 -5.380 -9.474 1.00 0.00 C ATOM 479 CG ASN A 30 2.968 -6.397 -8.595 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.433 -6.075 -7.500 1.00 0.00 O ATOM 481 ND2 ASN A 30 3.048 -7.635 -9.069 1.00 0.00 N ATOM 0 H ASN A 30 0.188 -3.272 -9.791 1.00 0.00 H new ATOM 0 HA ASN A 30 0.294 -6.070 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.273 -5.732 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.826 -4.443 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.508 -8.362 -8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.649 -7.859 -9.981 1.00 0.00 H new ATOM 488 N VAL A 31 0.775 -5.328 -6.618 1.00 0.00 N ATOM 489 CA VAL A 31 0.757 -4.849 -5.241 1.00 0.00 C ATOM 490 C VAL A 31 1.134 -5.965 -4.269 1.00 0.00 C ATOM 491 O VAL A 31 0.587 -7.066 -4.330 1.00 0.00 O ATOM 492 CB VAL A 31 -0.626 -4.289 -4.858 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.691 -5.370 -4.959 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.594 -3.689 -3.460 1.00 0.00 C ATOM 0 H VAL A 31 0.757 -6.343 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 31 1.493 -4.048 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.881 -3.496 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.660 -4.953 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.734 -5.744 -5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.444 -6.189 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.580 -3.299 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.314 -4.458 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.135 -2.879 -3.428 1.00 0.00 H new ATOM 504 N LYS A 32 2.073 -5.670 -3.375 1.00 0.00 N ATOM 505 CA LYS A 32 2.522 -6.648 -2.390 1.00 0.00 C ATOM 506 C LYS A 32 3.472 -6.008 -1.382 1.00 0.00 C ATOM 507 O LYS A 32 4.034 -4.940 -1.634 1.00 0.00 O ATOM 508 CB LYS A 32 3.210 -7.825 -3.087 1.00 0.00 C ATOM 509 CG LYS A 32 2.495 -9.151 -2.890 1.00 0.00 C ATOM 510 CD LYS A 32 3.275 -10.302 -3.505 1.00 0.00 C ATOM 511 CE LYS A 32 4.065 -11.064 -2.454 1.00 0.00 C ATOM 512 NZ LYS A 32 3.314 -12.243 -1.942 1.00 0.00 N ATOM 0 H LYS A 32 2.537 -4.764 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 32 1.648 -7.015 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.279 -7.614 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.230 -7.913 -2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.353 -9.334 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.503 -9.101 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.587 -10.981 -4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.955 -9.917 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.012 -11.394 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.304 -10.398 -1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.887 -12.736 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.422 -11.926 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.108 -12.892 -2.728 1.00 0.00 H new ATOM 526 N LEU A 33 3.647 -6.665 -0.241 1.00 0.00 N ATOM 527 CA LEU A 33 4.530 -6.161 0.804 1.00 0.00 C ATOM 528 C LEU A 33 5.872 -6.885 0.779 1.00 0.00 C ATOM 529 O LEU A 33 6.058 -7.842 0.027 1.00 0.00 O ATOM 530 CB LEU A 33 3.874 -6.326 2.176 1.00 0.00 C ATOM 531 CG LEU A 33 2.566 -5.555 2.367 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.549 -6.403 3.116 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.820 -4.248 3.103 1.00 0.00 C ATOM 0 H LEU A 33 3.189 -7.548 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 33 4.706 -5.102 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.681 -7.386 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.582 -6.006 2.941 1.00 0.00 H new ATOM 0 HG LEU A 33 2.158 -5.322 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.626 -5.837 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.344 -7.311 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.948 -6.669 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.879 -3.713 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.252 -4.459 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.511 -3.634 2.526 1.00 0.00 H new ATOM 545 N ILE A 34 6.805 -6.421 1.604 1.00 0.00 N ATOM 546 CA ILE A 34 8.131 -7.025 1.677 1.00 0.00 C ATOM 547 C ILE A 34 8.350 -7.711 3.021 1.00 0.00 C ATOM 548 O ILE A 34 7.645 -7.435 3.991 1.00 0.00 O ATOM 549 CB ILE A 34 9.244 -5.979 1.458 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.892 -4.662 2.153 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.473 -5.754 -0.029 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.682 -4.802 3.645 1.00 0.00 C ATOM 0 H ILE A 34 6.668 -5.629 2.231 1.00 0.00 H new ATOM 0 HA ILE A 34 8.182 -7.767 0.880 1.00 0.00 H new ATOM 0 HB ILE A 34 10.166 -6.360 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.690 -3.941 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.986 -4.254 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.261 -5.014 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.770 -6.692 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.552 -5.395 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.436 -3.829 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.865 -5.498 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.594 -5.180 4.107 1.00 0.00 H new ATOM 564 N TYR A 35 9.331 -8.605 3.069 1.00 0.00 N ATOM 565 CA TYR A 35 9.642 -9.333 4.294 1.00 0.00 C ATOM 566 C TYR A 35 11.142 -9.588 4.409 1.00 0.00 C ATOM 567 O TYR A 35 11.929 -9.107 3.594 1.00 0.00 O ATOM 568 CB TYR A 35 8.883 -10.660 4.331 1.00 0.00 C ATOM 569 CG TYR A 35 7.413 -10.525 4.005 1.00 0.00 C ATOM 570 CD1 TYR A 35 6.985 -10.361 2.693 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.453 -10.562 5.009 1.00 0.00 C ATOM 572 CE1 TYR A 35 5.642 -10.238 2.391 1.00 0.00 C ATOM 573 CE2 TYR A 35 5.108 -10.441 4.715 1.00 0.00 C ATOM 574 CZ TYR A 35 4.708 -10.277 3.405 1.00 0.00 C ATOM 575 OH TYR A 35 3.370 -10.155 3.109 1.00 0.00 O ATOM 0 H TYR A 35 9.925 -8.843 2.274 1.00 0.00 H new ATOM 0 HA TYR A 35 9.330 -8.721 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.342 -11.351 3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.988 -11.102 5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.714 -10.329 1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.763 -10.687 6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.325 -10.112 1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.374 -10.475 5.507 1.00 0.00 H new ATOM 0 HH TYR A 35 2.846 -10.204 3.936 1.00 0.00 H new ATOM 585 N ASP A 36 11.531 -10.347 5.429 1.00 0.00 N ATOM 586 CA ASP A 36 12.935 -10.668 5.652 1.00 0.00 C ATOM 587 C ASP A 36 13.269 -12.056 5.117 1.00 0.00 C ATOM 588 O ASP A 36 12.555 -13.024 5.383 1.00 0.00 O ATOM 589 CB ASP A 36 13.267 -10.589 7.143 1.00 0.00 C ATOM 590 CG ASP A 36 13.855 -9.246 7.534 1.00 0.00 C ATOM 591 OD1 ASP A 36 15.033 -8.996 7.203 1.00 0.00 O ATOM 592 OD2 ASP A 36 13.137 -8.447 8.171 1.00 0.00 O ATOM 0 H ASP A 36 10.892 -10.751 6.114 1.00 0.00 H new ATOM 0 HA ASP A 36 13.538 -9.937 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.363 -10.770 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.973 -11.380 7.398 1.00 0.00 H new ATOM 597 N ARG A 37 14.360 -12.148 4.362 1.00 0.00 N ATOM 598 CA ARG A 37 14.789 -13.419 3.791 1.00 0.00 C ATOM 599 C ARG A 37 15.773 -14.125 4.719 1.00 0.00 C ATOM 600 O ARG A 37 16.851 -14.546 4.295 1.00 0.00 O ATOM 601 CB ARG A 37 15.427 -13.195 2.418 1.00 0.00 C ATOM 602 CG ARG A 37 16.615 -12.247 2.446 1.00 0.00 C ATOM 603 CD ARG A 37 17.267 -12.131 1.078 1.00 0.00 C ATOM 604 NE ARG A 37 17.798 -13.410 0.613 1.00 0.00 N ATOM 605 CZ ARG A 37 18.597 -13.543 -0.442 1.00 0.00 C ATOM 606 NH1 ARG A 37 18.961 -12.478 -1.146 1.00 0.00 N ATOM 607 NH2 ARG A 37 19.034 -14.744 -0.796 1.00 0.00 N ATOM 0 H ARG A 37 14.962 -11.358 4.132 1.00 0.00 H new ATOM 0 HA ARG A 37 13.911 -14.054 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.749 -14.155 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.674 -12.800 1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.288 -11.262 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.348 -12.602 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.537 -11.759 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.073 -11.399 1.122 1.00 0.00 H new ATOM 0 HE ARG A 37 17.541 -14.252 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.628 -11.552 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.574 -12.586 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.757 -15.566 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 19.647 -14.846 -1.605 1.00 0.00 H new ATOM 621 N GLU A 38 15.396 -14.251 5.988 1.00 0.00 N ATOM 622 CA GLU A 38 16.245 -14.905 6.976 1.00 0.00 C ATOM 623 C GLU A 38 15.498 -15.098 8.292 1.00 0.00 C ATOM 624 O GLU A 38 15.592 -16.151 8.922 1.00 0.00 O ATOM 625 CB GLU A 38 17.513 -14.084 7.214 1.00 0.00 C ATOM 626 CG GLU A 38 17.252 -12.596 7.382 1.00 0.00 C ATOM 627 CD GLU A 38 18.510 -11.816 7.710 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.927 -11.829 8.887 1.00 0.00 O ATOM 629 OE2 GLU A 38 19.080 -11.193 6.789 1.00 0.00 O ATOM 0 H GLU A 38 14.508 -13.909 6.355 1.00 0.00 H new ATOM 0 HA GLU A 38 16.522 -15.885 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.017 -14.459 8.105 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.195 -14.233 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.814 -12.202 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.519 -12.447 8.175 1.00 0.00 H new ATOM 636 N THR A 39 14.755 -14.074 8.699 1.00 0.00 N ATOM 637 CA THR A 39 13.989 -14.130 9.939 1.00 0.00 C ATOM 638 C THR A 39 12.538 -14.524 9.671 1.00 0.00 C ATOM 639 O THR A 39 11.836 -14.985 10.571 1.00 0.00 O ATOM 640 CB THR A 39 14.038 -12.779 10.656 1.00 0.00 C ATOM 641 OG1 THR A 39 14.214 -11.724 9.726 1.00 0.00 O ATOM 642 CG2 THR A 39 15.153 -12.683 11.675 1.00 0.00 C ATOM 0 H THR A 39 14.667 -13.195 8.188 1.00 0.00 H new ATOM 0 HA THR A 39 14.439 -14.890 10.577 1.00 0.00 H new ATOM 0 HB THR A 39 13.084 -12.693 11.176 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.241 -10.868 10.203 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.131 -11.701 12.147 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.019 -13.453 12.435 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.113 -12.826 11.179 1.00 0.00 H new ATOM 650 N LYS A 40 12.093 -14.339 8.430 1.00 0.00 N ATOM 651 CA LYS A 40 10.726 -14.674 8.047 1.00 0.00 C ATOM 652 C LYS A 40 9.726 -13.745 8.728 1.00 0.00 C ATOM 653 O LYS A 40 8.699 -14.189 9.243 1.00 0.00 O ATOM 654 CB LYS A 40 10.413 -16.131 8.401 1.00 0.00 C ATOM 655 CG LYS A 40 11.479 -17.112 7.939 1.00 0.00 C ATOM 656 CD LYS A 40 11.645 -17.087 6.427 1.00 0.00 C ATOM 657 CE LYS A 40 11.533 -18.481 5.829 1.00 0.00 C ATOM 658 NZ LYS A 40 10.184 -18.730 5.249 1.00 0.00 N ATOM 0 H LYS A 40 12.661 -13.959 7.673 1.00 0.00 H new ATOM 0 HA LYS A 40 10.637 -14.545 6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.296 -16.217 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.458 -16.408 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.429 -16.868 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.211 -18.119 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.886 -16.440 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.615 -16.659 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.290 -18.606 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.740 -19.224 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.149 -19.691 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.464 -18.636 5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.996 -18.037 4.496 1.00 0.00 H new ATOM 672 N LYS A 41 10.032 -12.452 8.725 1.00 0.00 N ATOM 673 CA LYS A 41 9.160 -11.458 9.339 1.00 0.00 C ATOM 674 C LYS A 41 9.022 -10.228 8.446 1.00 0.00 C ATOM 675 O LYS A 41 9.988 -9.800 7.814 1.00 0.00 O ATOM 676 CB LYS A 41 9.704 -11.048 10.709 1.00 0.00 C ATOM 677 CG LYS A 41 10.067 -12.225 11.598 1.00 0.00 C ATOM 678 CD LYS A 41 10.860 -11.781 12.816 1.00 0.00 C ATOM 679 CE LYS A 41 10.548 -12.642 14.029 1.00 0.00 C ATOM 680 NZ LYS A 41 9.562 -11.990 14.935 1.00 0.00 N ATOM 0 H LYS A 41 10.878 -12.068 8.304 1.00 0.00 H new ATOM 0 HA LYS A 41 8.174 -11.906 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.587 -10.425 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.959 -10.436 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.158 -12.733 11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.650 -12.947 11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.926 -11.834 12.596 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.632 -10.739 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.157 -13.605 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.468 -12.843 14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.376 -12.609 15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.945 -11.083 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.675 -11.822 14.419 1.00 0.00 H new ATOM 694 N PRO A 42 7.815 -9.637 8.382 1.00 0.00 N ATOM 695 CA PRO A 42 7.561 -8.451 7.559 1.00 0.00 C ATOM 696 C PRO A 42 8.169 -7.189 8.161 1.00 0.00 C ATOM 697 O PRO A 42 8.033 -6.933 9.357 1.00 0.00 O ATOM 698 CB PRO A 42 6.035 -8.356 7.543 1.00 0.00 C ATOM 699 CG PRO A 42 5.608 -8.987 8.823 1.00 0.00 C ATOM 700 CD PRO A 42 6.605 -10.079 9.103 1.00 0.00 C ATOM 0 HA PRO A 42 8.007 -8.536 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.703 -7.320 7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.614 -8.878 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.593 -8.256 9.632 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.599 -9.392 8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.792 -10.187 10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.253 -11.045 8.742 1.00 0.00 H new ATOM 708 N LYS A 43 8.838 -6.402 7.325 1.00 0.00 N ATOM 709 CA LYS A 43 9.467 -5.166 7.777 1.00 0.00 C ATOM 710 C LYS A 43 8.420 -4.174 8.273 1.00 0.00 C ATOM 711 O LYS A 43 8.364 -3.858 9.461 1.00 0.00 O ATOM 712 CB LYS A 43 10.284 -4.542 6.643 1.00 0.00 C ATOM 713 CG LYS A 43 11.229 -5.518 5.964 1.00 0.00 C ATOM 714 CD LYS A 43 12.152 -6.191 6.968 1.00 0.00 C ATOM 715 CE LYS A 43 13.208 -5.229 7.486 1.00 0.00 C ATOM 716 NZ LYS A 43 13.439 -5.392 8.949 1.00 0.00 N ATOM 0 H LYS A 43 8.959 -6.598 6.331 1.00 0.00 H new ATOM 0 HA LYS A 43 10.134 -5.407 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.602 -4.132 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.861 -3.707 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.652 -6.276 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.824 -4.991 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.566 -6.573 7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.637 -7.048 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.143 -5.394 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.898 -4.205 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.371 -5.004 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.700 -4.884 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.408 -6.402 9.195 1.00 0.00 H new ATOM 730 N GLY A 44 7.591 -3.687 7.356 1.00 0.00 N ATOM 731 CA GLY A 44 6.557 -2.737 7.721 1.00 0.00 C ATOM 732 C GLY A 44 6.268 -1.737 6.619 1.00 0.00 C ATOM 733 O GLY A 44 6.142 -0.540 6.876 1.00 0.00 O ATOM 0 H GLY A 44 7.617 -3.933 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.642 -3.277 7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.861 -2.202 8.621 1.00 0.00 H new ATOM 737 N PHE A 45 6.160 -2.228 5.388 1.00 0.00 N ATOM 738 CA PHE A 45 5.882 -1.367 4.244 1.00 0.00 C ATOM 739 C PHE A 45 5.754 -2.185 2.963 1.00 0.00 C ATOM 740 O PHE A 45 6.312 -3.278 2.854 1.00 0.00 O ATOM 741 CB PHE A 45 6.985 -0.320 4.086 1.00 0.00 C ATOM 742 CG PHE A 45 8.353 -0.911 3.899 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.076 -1.374 4.985 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.915 -1.005 2.636 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.335 -1.920 4.817 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.172 -1.548 2.460 1.00 0.00 C ATOM 747 CZ PHE A 45 10.884 -2.006 3.551 1.00 0.00 C ATOM 0 H PHE A 45 6.261 -3.217 5.158 1.00 0.00 H new ATOM 0 HA PHE A 45 4.934 -0.861 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.752 0.314 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.993 0.323 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.651 -1.308 5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.363 -0.649 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.888 -2.278 5.672 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.598 -1.615 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.868 -2.431 3.416 1.00 0.00 H new ATOM 757 N GLY A 46 5.015 -1.649 1.997 1.00 0.00 N ATOM 758 CA GLY A 46 4.827 -2.341 0.735 1.00 0.00 C ATOM 759 C GLY A 46 4.868 -1.400 -0.453 1.00 0.00 C ATOM 760 O GLY A 46 5.322 -0.263 -0.337 1.00 0.00 O ATOM 0 H GLY A 46 4.543 -0.747 2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.602 -3.099 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.870 -2.862 0.749 1.00 0.00 H new ATOM 764 N PHE A 47 4.393 -1.877 -1.600 1.00 0.00 N ATOM 765 CA PHE A 47 4.380 -1.070 -2.814 1.00 0.00 C ATOM 766 C PHE A 47 3.162 -1.399 -3.674 1.00 0.00 C ATOM 767 O PHE A 47 2.805 -2.565 -3.842 1.00 0.00 O ATOM 768 CB PHE A 47 5.665 -1.296 -3.616 1.00 0.00 C ATOM 769 CG PHE A 47 6.579 -0.104 -3.630 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.285 1.001 -4.413 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.732 -0.089 -2.861 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.124 2.099 -4.428 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.574 1.006 -2.873 1.00 0.00 C ATOM 774 CZ PHE A 47 8.270 2.102 -3.658 1.00 0.00 C ATOM 0 H PHE A 47 4.013 -2.817 -1.713 1.00 0.00 H new ATOM 0 HA PHE A 47 4.322 -0.021 -2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.200 -2.149 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.403 -1.555 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.390 1.004 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.975 -0.943 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.883 2.954 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.469 1.006 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.927 2.959 -3.669 1.00 0.00 H new ATOM 784 N VAL A 48 2.530 -0.363 -4.216 1.00 0.00 N ATOM 785 CA VAL A 48 1.354 -0.540 -5.059 1.00 0.00 C ATOM 786 C VAL A 48 1.572 0.076 -6.438 1.00 0.00 C ATOM 787 O VAL A 48 1.664 1.296 -6.575 1.00 0.00 O ATOM 788 CB VAL A 48 0.102 0.090 -4.418 1.00 0.00 C ATOM 789 CG1 VAL A 48 -1.139 -0.229 -5.239 1.00 0.00 C ATOM 790 CG2 VAL A 48 -0.063 -0.388 -2.983 1.00 0.00 C ATOM 0 H VAL A 48 2.813 0.608 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 48 1.196 -1.613 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 48 0.231 1.172 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.012 0.225 -4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.021 0.169 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.274 -1.309 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.952 0.068 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.168 -1.473 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.813 -0.102 -2.401 1.00 0.00 H new ATOM 800 N GLU A 49 1.654 -0.774 -7.454 1.00 0.00 N ATOM 801 CA GLU A 49 1.861 -0.312 -8.822 1.00 0.00 C ATOM 802 C GLU A 49 0.552 0.170 -9.439 1.00 0.00 C ATOM 803 O GLU A 49 -0.297 -0.633 -9.826 1.00 0.00 O ATOM 804 CB GLU A 49 2.457 -1.433 -9.676 1.00 0.00 C ATOM 805 CG GLU A 49 3.490 -0.947 -10.681 1.00 0.00 C ATOM 806 CD GLU A 49 3.422 -1.700 -11.995 1.00 0.00 C ATOM 807 OE1 GLU A 49 2.916 -2.842 -12.000 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.875 -1.148 -13.021 1.00 0.00 O ATOM 0 H GLU A 49 1.580 -1.787 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 49 2.558 0.525 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.919 -2.172 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.653 -1.939 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.339 0.116 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.487 -1.057 -10.254 1.00 0.00 H new ATOM 815 N MET A 50 0.395 1.487 -9.526 1.00 0.00 N ATOM 816 CA MET A 50 -0.811 2.078 -10.095 1.00 0.00 C ATOM 817 C MET A 50 -0.475 3.328 -10.902 1.00 0.00 C ATOM 818 O MET A 50 0.523 4.000 -10.638 1.00 0.00 O ATOM 819 CB MET A 50 -1.808 2.421 -8.986 1.00 0.00 C ATOM 820 CG MET A 50 -2.974 1.450 -8.896 1.00 0.00 C ATOM 821 SD MET A 50 -4.467 2.218 -8.240 1.00 0.00 S ATOM 822 CE MET A 50 -3.823 3.012 -6.770 1.00 0.00 C ATOM 0 H MET A 50 1.088 2.165 -9.210 1.00 0.00 H new ATOM 0 HA MET A 50 -1.264 1.347 -10.765 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.284 2.437 -8.030 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.195 3.426 -9.154 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.183 1.046 -9.887 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.694 0.609 -8.262 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.649 3.299 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.168 2.320 -6.240 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.259 3.900 -7.054 1.00 0.00 H new ATOM 832 N GLN A 51 -1.313 3.635 -11.887 1.00 0.00 N ATOM 833 CA GLN A 51 -1.104 4.806 -12.731 1.00 0.00 C ATOM 834 C GLN A 51 -1.196 6.089 -11.913 1.00 0.00 C ATOM 835 O GLN A 51 -1.443 6.052 -10.708 1.00 0.00 O ATOM 836 CB GLN A 51 -2.133 4.834 -13.863 1.00 0.00 C ATOM 837 CG GLN A 51 -1.598 5.429 -15.155 1.00 0.00 C ATOM 838 CD GLN A 51 -1.933 4.585 -16.369 1.00 0.00 C ATOM 839 OE1 GLN A 51 -1.387 3.496 -16.553 1.00 0.00 O ATOM 840 NE2 GLN A 51 -2.834 5.083 -17.207 1.00 0.00 N ATOM 0 H GLN A 51 -2.143 3.089 -12.120 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.104 4.741 -13.160 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.477 3.818 -14.056 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.001 5.409 -13.540 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.010 6.429 -15.288 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.516 5.537 -15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.262 5.989 -17.016 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.099 4.560 -18.042 1.00 0.00 H new ATOM 849 N GLU A 52 -0.998 7.223 -12.576 1.00 0.00 N ATOM 850 CA GLU A 52 -1.056 8.513 -11.923 1.00 0.00 C ATOM 851 C GLU A 52 -2.504 8.896 -11.626 1.00 0.00 C ATOM 852 O GLU A 52 -3.383 8.039 -11.570 1.00 0.00 O ATOM 853 CB GLU A 52 -0.387 9.565 -12.816 1.00 0.00 C ATOM 854 CG GLU A 52 0.834 10.206 -12.181 1.00 0.00 C ATOM 855 CD GLU A 52 0.654 11.693 -11.936 1.00 0.00 C ATOM 856 OE1 GLU A 52 -0.110 12.056 -11.019 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.278 12.493 -12.665 1.00 0.00 O ATOM 0 H GLU A 52 -0.794 7.268 -13.574 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.522 8.462 -10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.096 9.099 -13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.113 10.342 -13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.049 9.709 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.698 10.050 -12.827 1.00 0.00 H new ATOM 864 N GLU A 53 -2.735 10.187 -11.439 1.00 0.00 N ATOM 865 CA GLU A 53 -4.070 10.702 -11.147 1.00 0.00 C ATOM 866 C GLU A 53 -4.563 10.215 -9.788 1.00 0.00 C ATOM 867 O GLU A 53 -4.647 10.990 -8.834 1.00 0.00 O ATOM 868 CB GLU A 53 -5.056 10.285 -12.242 1.00 0.00 C ATOM 869 CG GLU A 53 -4.641 10.728 -13.635 1.00 0.00 C ATOM 870 CD GLU A 53 -5.218 12.078 -14.014 1.00 0.00 C ATOM 871 OE1 GLU A 53 -5.332 12.946 -13.122 1.00 0.00 O ATOM 872 OE2 GLU A 53 -5.558 12.267 -15.200 1.00 0.00 O ATOM 0 H GLU A 53 -2.011 10.904 -11.484 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.009 11.790 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.161 9.200 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.037 10.702 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.553 10.774 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.965 9.982 -14.361 1.00 0.00 H new ATOM 879 N SER A 54 -4.890 8.930 -9.704 1.00 0.00 N ATOM 880 CA SER A 54 -5.377 8.343 -8.461 1.00 0.00 C ATOM 881 C SER A 54 -4.331 8.453 -7.357 1.00 0.00 C ATOM 882 O SER A 54 -4.667 8.562 -6.179 1.00 0.00 O ATOM 883 CB SER A 54 -5.752 6.877 -8.679 1.00 0.00 C ATOM 884 OG SER A 54 -6.454 6.705 -9.898 1.00 0.00 O ATOM 0 H SER A 54 -4.827 8.274 -10.483 1.00 0.00 H new ATOM 0 HA SER A 54 -6.263 8.897 -8.151 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.850 6.265 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.367 6.529 -7.849 1.00 0.00 H new ATOM 0 HG SER A 54 -6.681 5.759 -10.014 1.00 0.00 H new ATOM 890 N VAL A 55 -3.060 8.421 -7.745 1.00 0.00 N ATOM 891 CA VAL A 55 -1.966 8.514 -6.785 1.00 0.00 C ATOM 892 C VAL A 55 -1.973 9.862 -6.070 1.00 0.00 C ATOM 893 O VAL A 55 -1.810 9.930 -4.852 1.00 0.00 O ATOM 894 CB VAL A 55 -0.599 8.316 -7.470 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.518 8.275 -6.439 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.602 7.049 -8.312 1.00 0.00 C ATOM 0 H VAL A 55 -2.763 8.331 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.118 7.719 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.420 9.165 -8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.474 8.135 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.535 9.213 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.347 7.448 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.371 6.926 -8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.806 6.189 -7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.374 7.123 -9.078 1.00 0.00 H new ATOM 906 N SER A 56 -2.161 10.932 -6.835 1.00 0.00 N ATOM 907 CA SER A 56 -2.186 12.278 -6.274 1.00 0.00 C ATOM 908 C SER A 56 -3.404 12.479 -5.378 1.00 0.00 C ATOM 909 O SER A 56 -3.389 13.313 -4.472 1.00 0.00 O ATOM 910 CB SER A 56 -2.189 13.320 -7.395 1.00 0.00 C ATOM 911 OG SER A 56 -2.806 12.809 -8.565 1.00 0.00 O ATOM 0 H SER A 56 -2.298 10.893 -7.845 1.00 0.00 H new ATOM 0 HA SER A 56 -1.289 12.404 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.716 14.214 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.165 13.619 -7.621 1.00 0.00 H new ATOM 0 HG SER A 56 -3.588 12.273 -8.315 1.00 0.00 H new ATOM 917 N GLU A 57 -4.458 11.710 -5.632 1.00 0.00 N ATOM 918 CA GLU A 57 -5.682 11.805 -4.846 1.00 0.00 C ATOM 919 C GLU A 57 -5.635 10.853 -3.658 1.00 0.00 C ATOM 920 O GLU A 57 -6.099 11.181 -2.565 1.00 0.00 O ATOM 921 CB GLU A 57 -6.901 11.494 -5.717 1.00 0.00 C ATOM 922 CG GLU A 57 -7.531 12.727 -6.343 1.00 0.00 C ATOM 923 CD GLU A 57 -8.531 13.400 -5.423 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.440 12.703 -4.923 1.00 0.00 O ATOM 925 OE2 GLU A 57 -8.406 14.622 -5.202 1.00 0.00 O ATOM 0 H GLU A 57 -4.489 11.014 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.766 12.825 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.605 10.805 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.649 10.982 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.747 13.438 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.029 12.445 -7.271 1.00 0.00 H new ATOM 932 N ALA A 58 -5.068 9.672 -3.878 1.00 0.00 N ATOM 933 CA ALA A 58 -4.956 8.673 -2.825 1.00 0.00 C ATOM 934 C ALA A 58 -4.176 9.221 -1.637 1.00 0.00 C ATOM 935 O ALA A 58 -4.719 9.374 -0.545 1.00 0.00 O ATOM 936 CB ALA A 58 -4.290 7.413 -3.361 1.00 0.00 C ATOM 0 H ALA A 58 -4.679 9.384 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.961 8.421 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.213 6.675 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.887 7.005 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.293 7.656 -3.728 1.00 0.00 H new ATOM 942 N ILE A 59 -2.901 9.522 -1.860 1.00 0.00 N ATOM 943 CA ILE A 59 -2.045 10.060 -0.808 1.00 0.00 C ATOM 944 C ILE A 59 -2.616 11.357 -0.241 1.00 0.00 C ATOM 945 O ILE A 59 -2.357 11.710 0.909 1.00 0.00 O ATOM 946 CB ILE A 59 -0.615 10.321 -1.330 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.034 9.046 -1.944 1.00 0.00 C ATOM 948 CG2 ILE A 59 0.285 10.830 -0.212 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.793 9.297 -3.186 1.00 0.00 C ATOM 0 H ILE A 59 -2.437 9.403 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.005 9.312 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.667 11.089 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.585 8.543 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.850 8.367 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.287 11.007 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.119 11.761 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.332 10.087 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.173 8.349 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.173 9.772 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.630 9.951 -2.940 1.00 0.00 H new ATOM 961 N ALA A 60 -3.388 12.066 -1.058 1.00 0.00 N ATOM 962 CA ALA A 60 -3.988 13.326 -0.641 1.00 0.00 C ATOM 963 C ALA A 60 -4.975 13.129 0.506 1.00 0.00 C ATOM 964 O ALA A 60 -4.871 13.781 1.545 1.00 0.00 O ATOM 965 CB ALA A 60 -4.682 13.990 -1.821 1.00 0.00 C ATOM 0 H ALA A 60 -3.612 11.788 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.187 13.972 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.127 14.931 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.954 14.184 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.462 13.331 -2.202 1.00 0.00 H new ATOM 971 N LYS A 61 -5.939 12.234 0.309 1.00 0.00 N ATOM 972 CA LYS A 61 -6.949 11.965 1.327 1.00 0.00 C ATOM 973 C LYS A 61 -6.511 10.844 2.264 1.00 0.00 C ATOM 974 O LYS A 61 -6.835 10.850 3.450 1.00 0.00 O ATOM 975 CB LYS A 61 -8.280 11.601 0.667 1.00 0.00 C ATOM 976 CG LYS A 61 -8.655 12.513 -0.489 1.00 0.00 C ATOM 977 CD LYS A 61 -9.232 13.830 0.003 1.00 0.00 C ATOM 978 CE LYS A 61 -10.375 14.303 -0.880 1.00 0.00 C ATOM 979 NZ LYS A 61 -11.603 13.484 -0.687 1.00 0.00 N ATOM 0 H LYS A 61 -6.042 11.684 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.075 12.872 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.228 10.574 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.070 11.636 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.774 12.707 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.383 12.012 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.587 13.713 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.448 14.587 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.597 15.347 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.069 14.257 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.419 13.979 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.483 12.563 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.767 13.338 0.330 1.00 0.00 H new ATOM 993 N LEU A 62 -5.783 9.878 1.718 1.00 0.00 N ATOM 994 CA LEU A 62 -5.310 8.742 2.500 1.00 0.00 C ATOM 995 C LEU A 62 -4.196 9.152 3.459 1.00 0.00 C ATOM 996 O LEU A 62 -4.393 9.188 4.673 1.00 0.00 O ATOM 997 CB LEU A 62 -4.812 7.636 1.568 1.00 0.00 C ATOM 998 CG LEU A 62 -5.864 7.072 0.612 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.220 6.125 -0.389 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.967 6.364 1.386 1.00 0.00 C ATOM 0 H LEU A 62 -5.507 9.858 0.736 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.147 8.370 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.980 8.024 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.420 6.820 2.175 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.310 7.901 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.983 5.733 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.468 6.663 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.747 5.300 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.706 5.970 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.538 5.544 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.448 7.071 2.063 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.024 9.453 2.907 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.876 9.851 3.715 1.00 0.00 C ATOM 1014 C ASP A 63 -2.219 11.038 4.615 1.00 0.00 C ATOM 1015 O ASP A 63 -2.833 12.009 4.174 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.677 10.170 2.804 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.141 11.582 2.974 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -0.897 12.542 2.717 1.00 0.00 O ATOM 1019 OD2 ASP A 63 1.037 11.726 3.365 1.00 0.00 O ATOM 0 H ASP A 63 -2.844 9.429 1.903 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.605 9.020 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.124 9.459 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.973 10.025 1.765 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.815 10.948 5.879 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.074 12.009 6.846 1.00 0.00 C ATOM 1026 C ASN A 64 -1.504 11.649 8.215 1.00 0.00 C ATOM 1027 O ASN A 64 -0.559 12.278 8.690 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.578 12.272 6.960 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.893 13.741 7.164 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -3.173 14.452 7.864 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.976 14.202 6.549 1.00 0.00 N ATOM 0 H ASN A 64 -1.306 10.149 6.258 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.581 12.915 6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.076 11.918 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.983 11.697 7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.240 15.182 6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.544 13.576 5.978 1.00 0.00 H new ATOM 1038 N THR A 65 -2.086 10.632 8.845 1.00 0.00 N ATOM 1039 CA THR A 65 -1.636 10.187 10.159 1.00 0.00 C ATOM 1040 C THR A 65 -1.311 8.697 10.147 1.00 0.00 C ATOM 1041 O THR A 65 -1.335 8.054 9.098 1.00 0.00 O ATOM 1042 CB THR A 65 -2.704 10.483 11.214 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.981 10.609 10.615 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.436 11.751 11.995 1.00 0.00 C ATOM 0 H THR A 65 -2.870 10.101 8.466 1.00 0.00 H new ATOM 0 HA THR A 65 -0.728 10.735 10.410 1.00 0.00 H new ATOM 0 HB THR A 65 -2.673 9.638 11.901 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.650 10.796 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.230 11.903 12.726 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.479 11.665 12.511 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.405 12.600 11.312 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.008 8.153 11.322 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.680 6.737 11.447 1.00 0.00 C ATOM 1054 C ASP A 66 -1.847 5.955 12.039 1.00 0.00 C ATOM 1055 O ASP A 66 -2.116 6.034 13.238 1.00 0.00 O ATOM 1056 CB ASP A 66 0.564 6.557 12.318 1.00 0.00 C ATOM 1057 CG ASP A 66 1.846 6.570 11.508 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.889 7.274 10.478 1.00 0.00 O ATOM 1059 OD2 ASP A 66 2.806 5.877 11.905 1.00 0.00 O ATOM 0 H ASP A 66 -0.983 8.671 12.200 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.478 6.348 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.600 7.352 13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.490 5.615 12.861 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.539 5.200 11.191 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.678 4.401 11.630 1.00 0.00 C ATOM 1066 C PHE A 67 -3.473 2.928 11.284 1.00 0.00 C ATOM 1067 O PHE A 67 -2.412 2.537 10.799 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.967 4.915 10.985 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.653 5.984 11.787 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -4.982 7.142 12.141 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -6.972 5.829 12.185 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -5.611 8.126 12.879 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.606 6.810 12.923 1.00 0.00 C ATOM 1074 CZ PHE A 67 -6.925 7.960 13.270 1.00 0.00 C ATOM 0 H PHE A 67 -2.331 5.125 10.195 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.761 4.494 12.713 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.737 5.306 9.994 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.653 4.079 10.846 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.955 7.278 11.837 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.510 4.932 11.915 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.076 9.024 13.150 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.633 6.677 13.228 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.419 8.728 13.846 1.00 0.00 H new ATOM 1084 N MET A 68 -4.495 2.117 11.539 1.00 0.00 N ATOM 1085 CA MET A 68 -4.425 0.688 11.255 1.00 0.00 C ATOM 1086 C MET A 68 -5.048 0.369 9.899 1.00 0.00 C ATOM 1087 O MET A 68 -5.691 -0.667 9.729 1.00 0.00 O ATOM 1088 CB MET A 68 -5.134 -0.105 12.354 1.00 0.00 C ATOM 1089 CG MET A 68 -6.583 0.305 12.564 1.00 0.00 C ATOM 1090 SD MET A 68 -7.566 -0.990 13.343 1.00 0.00 S ATOM 1091 CE MET A 68 -9.120 -0.135 13.586 1.00 0.00 C ATOM 0 H MET A 68 -5.380 2.425 11.941 1.00 0.00 H new ATOM 0 HA MET A 68 -3.374 0.400 11.227 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.098 -1.166 12.106 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.590 0.022 13.290 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.617 1.202 13.182 1.00 0.00 H new ATOM 0 HG3 MET A 68 -7.026 0.563 11.602 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.835 -0.807 14.061 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.961 0.735 14.224 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.512 0.189 12.622 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.851 1.265 8.936 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.399 1.057 7.608 1.00 0.00 C ATOM 1103 C GLY A 69 -6.442 2.095 7.240 1.00 0.00 C ATOM 1104 O GLY A 69 -7.432 1.781 6.579 1.00 0.00 O ATOM 0 H GLY A 69 -4.323 2.130 9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.591 1.084 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.845 0.064 7.554 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.221 3.333 7.670 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.152 4.418 7.382 1.00 0.00 C ATOM 1110 C ARG A 70 -6.459 5.545 6.620 1.00 0.00 C ATOM 1111 O ARG A 70 -7.029 6.121 5.693 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.756 4.959 8.679 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.114 5.615 8.488 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.247 4.686 8.896 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.158 3.389 8.229 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.189 2.559 8.079 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -12.387 2.885 8.550 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -11.021 1.400 7.457 1.00 0.00 N ATOM 0 H ARG A 70 -5.407 3.610 8.218 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.951 4.020 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.853 4.142 9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.069 5.684 9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.163 6.530 9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.236 5.902 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.226 4.541 9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.203 5.152 8.656 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.253 3.102 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.522 3.775 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.173 2.245 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.103 1.145 7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.810 0.764 7.342 1.00 0.00 H new ATOM 1132 N THR A 71 -5.227 5.852 7.013 1.00 0.00 N ATOM 1133 CA THR A 71 -4.460 6.908 6.362 1.00 0.00 C ATOM 1134 C THR A 71 -3.034 6.445 6.073 1.00 0.00 C ATOM 1135 O THR A 71 -2.612 6.396 4.917 1.00 0.00 O ATOM 1136 CB THR A 71 -4.444 8.179 7.222 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.328 8.992 6.903 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.401 7.910 8.712 1.00 0.00 C ATOM 0 H THR A 71 -4.739 5.385 7.778 1.00 0.00 H new ATOM 0 HA THR A 71 -4.945 7.139 5.414 1.00 0.00 H new ATOM 0 HB THR A 71 -5.383 8.683 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.252 9.077 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.392 8.857 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.280 7.334 9.003 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.501 7.345 8.954 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.297 6.105 7.125 1.00 0.00 N ATOM 1147 CA ILE A 72 -0.922 5.645 6.974 1.00 0.00 C ATOM 1148 C ILE A 72 -0.060 6.709 6.302 1.00 0.00 C ATOM 1149 O ILE A 72 -0.573 7.605 5.635 1.00 0.00 O ATOM 1150 CB ILE A 72 -0.853 4.349 6.144 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -1.857 3.324 6.673 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.556 3.778 6.166 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.113 2.180 5.717 1.00 0.00 C ATOM 0 H ILE A 72 -2.628 6.139 8.089 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.541 5.448 7.976 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.112 4.584 5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.490 2.922 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.800 3.827 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.587 2.863 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.250 4.505 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.843 3.556 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.835 1.492 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.510 2.571 4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.179 1.652 5.524 1.00 0.00 H new ATOM 1165 N ARG A 73 1.252 6.604 6.479 1.00 0.00 N ATOM 1166 CA ARG A 73 2.180 7.559 5.885 1.00 0.00 C ATOM 1167 C ARG A 73 2.499 7.177 4.441 1.00 0.00 C ATOM 1168 O ARG A 73 3.657 6.956 4.086 1.00 0.00 O ATOM 1169 CB ARG A 73 3.469 7.630 6.709 1.00 0.00 C ATOM 1170 CG ARG A 73 4.015 9.040 6.862 1.00 0.00 C ATOM 1171 CD ARG A 73 5.095 9.110 7.930 1.00 0.00 C ATOM 1172 NE ARG A 73 4.811 10.136 8.931 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.718 10.619 9.777 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.968 10.170 9.747 1.00 0.00 N ATOM 1175 NH2 ARG A 73 5.377 11.551 10.655 1.00 0.00 N ATOM 0 H ARG A 73 1.697 5.868 7.028 1.00 0.00 H new ATOM 0 HA ARG A 73 1.707 8.541 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.282 7.212 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.227 7.005 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.422 9.378 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.203 9.719 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.183 8.140 8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.056 9.318 7.460 1.00 0.00 H new ATOM 0 HE ARG A 73 3.861 10.504 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.236 9.452 9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.660 10.543 10.397 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.419 11.899 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.073 11.920 11.303 1.00 0.00 H new ATOM 1189 N VAL A 74 1.461 7.101 3.613 1.00 0.00 N ATOM 1190 CA VAL A 74 1.630 6.744 2.210 1.00 0.00 C ATOM 1191 C VAL A 74 2.206 7.909 1.410 1.00 0.00 C ATOM 1192 O VAL A 74 2.100 9.066 1.815 1.00 0.00 O ATOM 1193 CB VAL A 74 0.294 6.304 1.577 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.711 7.446 1.585 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.516 5.790 0.162 1.00 0.00 C ATOM 0 H VAL A 74 0.496 7.282 3.890 1.00 0.00 H new ATOM 0 HA VAL A 74 2.329 5.908 2.178 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.115 5.491 2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.645 7.112 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.896 7.760 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.313 8.285 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.438 5.484 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.952 6.581 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.193 4.936 0.187 1.00 0.00 H new ATOM 1205 N THR A 75 2.814 7.592 0.272 1.00 0.00 N ATOM 1206 CA THR A 75 3.408 8.610 -0.588 1.00 0.00 C ATOM 1207 C THR A 75 3.909 7.994 -1.890 1.00 0.00 C ATOM 1208 O THR A 75 4.234 6.808 -1.943 1.00 0.00 O ATOM 1209 CB THR A 75 4.558 9.311 0.134 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.127 10.315 -0.688 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.669 8.370 0.545 1.00 0.00 C ATOM 0 H THR A 75 2.909 6.638 -0.077 1.00 0.00 H new ATOM 0 HA THR A 75 2.638 9.344 -0.826 1.00 0.00 H new ATOM 0 HB THR A 75 4.116 9.740 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.860 10.754 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.453 8.932 1.052 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.272 7.611 1.220 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.083 7.887 -0.340 1.00 0.00 H new ATOM 1219 N GLU A 76 3.967 8.808 -2.939 1.00 0.00 N ATOM 1220 CA GLU A 76 4.428 8.342 -4.242 1.00 0.00 C ATOM 1221 C GLU A 76 5.948 8.207 -4.265 1.00 0.00 C ATOM 1222 O GLU A 76 6.670 9.162 -3.984 1.00 0.00 O ATOM 1223 CB GLU A 76 3.975 9.304 -5.341 1.00 0.00 C ATOM 1224 CG GLU A 76 4.296 10.759 -5.046 1.00 0.00 C ATOM 1225 CD GLU A 76 4.320 11.615 -6.297 1.00 0.00 C ATOM 1226 OE1 GLU A 76 5.140 11.331 -7.196 1.00 0.00 O ATOM 1227 OE2 GLU A 76 3.521 12.572 -6.379 1.00 0.00 O ATOM 0 H GLU A 76 3.701 9.792 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 76 3.990 7.361 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.450 9.019 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.899 9.200 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.556 11.157 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.264 10.820 -4.549 1.00 0.00 H new ATOM 1234 N ALA A 77 6.425 7.013 -4.601 1.00 0.00 N ATOM 1235 CA ALA A 77 7.858 6.752 -4.661 1.00 0.00 C ATOM 1236 C ALA A 77 8.498 7.480 -5.839 1.00 0.00 C ATOM 1237 O ALA A 77 9.090 8.557 -5.617 1.00 0.00 O ATOM 1238 CB ALA A 77 8.120 5.257 -4.756 1.00 0.00 C ATOM 0 H ALA A 77 5.840 6.211 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 77 8.310 7.130 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.194 5.078 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.705 4.758 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.649 4.862 -5.656 1.00 0.00 H new TER 1244 ALA A 77