USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.157 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00934 USER MOD Single : A 8 MET CE :methyl -144:sc= -0.0341 (180deg=-1.27) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -47:sc= 0.379 USER MOD Single : A 19 GLN : amide:sc=-0.00215 X(o=-0.0022,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= -1.56 (180deg=-3.48!) USER MOD Single : A 35 CYS SG : rot 122:sc= -0.346 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 70:sc= -1.92! USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.83 K(o=-0.83,f=-2.8!) USER MOD Single : A 48 ASN : amide:sc= 1.12 K(o=1.1,f=-0.11) USER MOD Single : A 49 ASN : amide:sc= -15.2! C(o=-15!,f=-22!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 65 ASN : amide:sc= -1.24 K(o=-1.2,f=0.31) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.878 K(o=-0.88,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.868 13.997 9.993 1.00 0.00 N ATOM 2 CA GLY A 1 4.667 15.432 9.881 1.00 0.00 C ATOM 3 C GLY A 1 3.332 15.747 9.203 1.00 0.00 C ATOM 4 O GLY A 1 3.274 15.913 7.986 1.00 0.00 O ATOM 0 H1 GLY A 1 5.780 13.809 10.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.101 13.582 10.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.867 13.571 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.691 15.885 10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.483 15.874 9.309 1.00 0.00 H new ATOM 8 N SER A 2 2.292 15.820 10.021 1.00 0.00 N ATOM 9 CA SER A 2 0.961 16.113 9.515 1.00 0.00 C ATOM 10 C SER A 2 0.298 17.187 10.378 1.00 0.00 C ATOM 11 O SER A 2 0.510 17.234 11.589 1.00 0.00 O ATOM 12 CB SER A 2 0.096 14.851 9.479 1.00 0.00 C ATOM 13 OG SER A 2 -1.293 15.159 9.409 1.00 0.00 O ATOM 0 H SER A 2 2.344 15.681 11.030 1.00 0.00 H new ATOM 0 HA SER A 2 1.057 16.485 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.377 14.243 8.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.290 14.252 10.369 1.00 0.00 H new ATOM 0 HG SER A 2 -1.812 14.328 9.386 1.00 0.00 H new ATOM 19 N SER A 3 -0.492 18.024 9.722 1.00 0.00 N ATOM 20 CA SER A 3 -1.189 19.095 10.415 1.00 0.00 C ATOM 21 C SER A 3 -2.448 19.488 9.639 1.00 0.00 C ATOM 22 O SER A 3 -2.366 19.892 8.480 1.00 0.00 O ATOM 23 CB SER A 3 -0.280 20.311 10.603 1.00 0.00 C ATOM 24 OG SER A 3 0.326 20.719 9.379 1.00 0.00 O ATOM 0 H SER A 3 -0.665 17.982 8.718 1.00 0.00 H new ATOM 0 HA SER A 3 -1.477 18.734 11.402 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.860 21.137 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.496 20.074 11.331 1.00 0.00 H new ATOM 0 HG SER A 3 -0.311 20.603 8.644 1.00 0.00 H new ATOM 30 N GLY A 4 -3.582 19.356 10.310 1.00 0.00 N ATOM 31 CA GLY A 4 -4.857 19.693 9.699 1.00 0.00 C ATOM 32 C GLY A 4 -5.540 18.446 9.135 1.00 0.00 C ATOM 33 O GLY A 4 -5.664 18.297 7.920 1.00 0.00 O ATOM 0 H GLY A 4 -3.645 19.020 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.505 20.165 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.702 20.419 8.901 1.00 0.00 H new ATOM 37 N SER A 5 -5.967 17.581 10.044 1.00 0.00 N ATOM 38 CA SER A 5 -6.635 16.352 9.652 1.00 0.00 C ATOM 39 C SER A 5 -8.054 16.658 9.170 1.00 0.00 C ATOM 40 O SER A 5 -8.949 16.902 9.979 1.00 0.00 O ATOM 41 CB SER A 5 -6.671 15.351 10.809 1.00 0.00 C ATOM 42 OG SER A 5 -5.373 14.856 11.127 1.00 0.00 O ATOM 0 H SER A 5 -5.863 17.707 11.051 1.00 0.00 H new ATOM 0 HA SER A 5 -6.070 15.902 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.102 15.829 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.323 14.518 10.547 1.00 0.00 H new ATOM 0 HG SER A 5 -5.438 14.222 11.871 1.00 0.00 H new ATOM 48 N SER A 6 -8.217 16.635 7.856 1.00 0.00 N ATOM 49 CA SER A 6 -9.513 16.907 7.257 1.00 0.00 C ATOM 50 C SER A 6 -10.393 15.658 7.324 1.00 0.00 C ATOM 51 O SER A 6 -11.479 15.689 7.901 1.00 0.00 O ATOM 52 CB SER A 6 -9.363 17.373 5.808 1.00 0.00 C ATOM 53 OG SER A 6 -8.508 16.515 5.056 1.00 0.00 O ATOM 0 H SER A 6 -7.473 16.432 7.188 1.00 0.00 H new ATOM 0 HA SER A 6 -9.989 17.709 7.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.345 17.411 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.963 18.387 5.793 1.00 0.00 H new ATOM 0 HG SER A 6 -8.440 16.846 4.136 1.00 0.00 H new ATOM 59 N GLY A 7 -9.892 14.587 6.726 1.00 0.00 N ATOM 60 CA GLY A 7 -10.619 13.329 6.711 1.00 0.00 C ATOM 61 C GLY A 7 -9.937 12.312 5.794 1.00 0.00 C ATOM 62 O GLY A 7 -9.093 12.676 4.976 1.00 0.00 O ATOM 0 H GLY A 7 -8.991 14.565 6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.680 12.928 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.641 13.500 6.374 1.00 0.00 H new ATOM 66 N MET A 8 -10.328 11.057 5.960 1.00 0.00 N ATOM 67 CA MET A 8 -9.765 9.985 5.157 1.00 0.00 C ATOM 68 C MET A 8 -10.025 10.221 3.668 1.00 0.00 C ATOM 69 O MET A 8 -10.893 11.012 3.303 1.00 0.00 O ATOM 70 CB MET A 8 -10.385 8.651 5.579 1.00 0.00 C ATOM 71 CG MET A 8 -9.589 7.474 5.013 1.00 0.00 C ATOM 72 SD MET A 8 -9.641 6.099 6.150 1.00 0.00 S ATOM 73 CE MET A 8 -8.487 4.994 5.354 1.00 0.00 C ATOM 0 H MET A 8 -11.028 10.759 6.639 1.00 0.00 H new ATOM 0 HA MET A 8 -8.687 9.962 5.319 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.413 8.587 6.667 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.416 8.599 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.001 7.175 4.049 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.556 7.773 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.824 3.965 5.478 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.430 5.231 4.292 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.502 5.110 5.805 1.00 0.00 H new ATOM 83 N CYS A 9 -9.256 9.520 2.848 1.00 0.00 N ATOM 84 CA CYS A 9 -9.392 9.643 1.406 1.00 0.00 C ATOM 85 C CYS A 9 -8.913 11.037 0.996 1.00 0.00 C ATOM 86 O CYS A 9 -9.707 11.974 0.923 1.00 0.00 O ATOM 87 CB CYS A 9 -10.827 9.375 0.949 1.00 0.00 C ATOM 88 SG CYS A 9 -10.913 9.384 -0.879 1.00 0.00 S ATOM 0 H CYS A 9 -8.537 8.865 3.154 1.00 0.00 H new ATOM 0 HA CYS A 9 -8.777 8.889 0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -11.166 8.413 1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -11.495 10.134 1.357 1.00 0.00 H new ATOM 0 HG CYS A 9 -12.135 9.153 -1.257 1.00 0.00 H new ATOM 94 N GLY A 10 -7.617 11.130 0.738 1.00 0.00 N ATOM 95 CA GLY A 10 -7.023 12.394 0.337 1.00 0.00 C ATOM 96 C GLY A 10 -5.636 12.570 0.959 1.00 0.00 C ATOM 97 O GLY A 10 -4.647 12.061 0.433 1.00 0.00 O ATOM 0 H GLY A 10 -6.962 10.351 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.946 12.435 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.669 13.217 0.642 1.00 0.00 H new ATOM 101 N VAL A 11 -5.607 13.292 2.069 1.00 0.00 N ATOM 102 CA VAL A 11 -4.358 13.541 2.768 1.00 0.00 C ATOM 103 C VAL A 11 -3.964 12.293 3.560 1.00 0.00 C ATOM 104 O VAL A 11 -2.945 11.667 3.272 1.00 0.00 O ATOM 105 CB VAL A 11 -4.489 14.788 3.645 1.00 0.00 C ATOM 106 CG1 VAL A 11 -3.436 14.792 4.754 1.00 0.00 C ATOM 107 CG2 VAL A 11 -4.401 16.062 2.802 1.00 0.00 C ATOM 0 H VAL A 11 -6.429 13.713 2.502 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.556 13.742 2.057 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.472 14.764 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.552 15.689 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.564 13.909 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.440 14.780 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.497 16.934 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.439 16.094 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.204 16.067 2.065 1.00 0.00 H new ATOM 117 N GLU A 12 -4.792 11.968 4.542 1.00 0.00 N ATOM 118 CA GLU A 12 -4.543 10.805 5.377 1.00 0.00 C ATOM 119 C GLU A 12 -3.999 9.651 4.532 1.00 0.00 C ATOM 120 O GLU A 12 -2.973 9.062 4.868 1.00 0.00 O ATOM 121 CB GLU A 12 -5.809 10.387 6.127 1.00 0.00 C ATOM 122 CG GLU A 12 -6.224 11.454 7.141 1.00 0.00 C ATOM 123 CD GLU A 12 -7.049 10.842 8.275 1.00 0.00 C ATOM 124 OE1 GLU A 12 -6.483 9.989 8.992 1.00 0.00 O ATOM 125 OE2 GLU A 12 -8.227 11.241 8.399 1.00 0.00 O ATOM 0 H GLU A 12 -5.636 12.490 4.778 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.791 11.070 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.619 10.221 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.636 9.441 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.336 11.936 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.805 12.229 6.641 1.00 0.00 H new ATOM 132 N LEU A 13 -4.711 9.364 3.453 1.00 0.00 N ATOM 133 CA LEU A 13 -4.313 8.291 2.557 1.00 0.00 C ATOM 134 C LEU A 13 -2.837 8.461 2.190 1.00 0.00 C ATOM 135 O LEU A 13 -2.018 7.589 2.478 1.00 0.00 O ATOM 136 CB LEU A 13 -5.245 8.230 1.346 1.00 0.00 C ATOM 137 CG LEU A 13 -5.504 6.838 0.768 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.732 6.842 -0.145 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.262 6.300 0.054 1.00 0.00 C ATOM 0 H LEU A 13 -5.561 9.856 3.178 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.410 7.325 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.202 8.669 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.826 8.856 0.558 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.719 6.161 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.893 5.840 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.608 7.152 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.571 7.537 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.474 5.309 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.991 6.971 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.435 6.236 0.761 1.00 0.00 H new ATOM 151 N ASP A 14 -2.543 9.588 1.560 1.00 0.00 N ATOM 152 CA ASP A 14 -1.180 9.883 1.150 1.00 0.00 C ATOM 153 C ASP A 14 -0.217 9.477 2.267 1.00 0.00 C ATOM 154 O ASP A 14 0.826 8.880 2.006 1.00 0.00 O ATOM 155 CB ASP A 14 -0.996 11.379 0.887 1.00 0.00 C ATOM 156 CG ASP A 14 0.382 11.776 0.354 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.883 11.045 -0.527 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.904 12.803 0.840 1.00 0.00 O ATOM 0 H ASP A 14 -3.225 10.308 1.323 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.975 9.328 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.753 11.703 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.180 11.921 1.814 1.00 0.00 H new ATOM 163 N SER A 15 -0.602 9.817 3.489 1.00 0.00 N ATOM 164 CA SER A 15 0.215 9.496 4.647 1.00 0.00 C ATOM 165 C SER A 15 0.632 8.025 4.601 1.00 0.00 C ATOM 166 O SER A 15 1.822 7.712 4.630 1.00 0.00 O ATOM 167 CB SER A 15 -0.533 9.795 5.948 1.00 0.00 C ATOM 168 OG SER A 15 0.359 10.042 7.032 1.00 0.00 O ATOM 0 H SER A 15 -1.468 10.311 3.702 1.00 0.00 H new ATOM 0 HA SER A 15 1.107 10.121 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.178 10.662 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.180 8.954 6.196 1.00 0.00 H new ATOM 0 HG SER A 15 -0.157 10.230 7.844 1.00 0.00 H new ATOM 174 N LEU A 16 -0.369 7.160 4.530 1.00 0.00 N ATOM 175 CA LEU A 16 -0.121 5.729 4.479 1.00 0.00 C ATOM 176 C LEU A 16 0.877 5.429 3.359 1.00 0.00 C ATOM 177 O LEU A 16 1.958 4.900 3.611 1.00 0.00 O ATOM 178 CB LEU A 16 -1.438 4.961 4.353 1.00 0.00 C ATOM 179 CG LEU A 16 -2.493 5.258 5.420 1.00 0.00 C ATOM 180 CD1 LEU A 16 -3.838 4.629 5.052 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.012 4.814 6.804 1.00 0.00 C ATOM 0 H LEU A 16 -1.354 7.423 4.507 1.00 0.00 H new ATOM 0 HA LEU A 16 0.332 5.387 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.869 5.176 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.217 3.894 4.376 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.643 6.337 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.570 4.855 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.181 5.034 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.723 3.548 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.780 5.036 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.816 3.742 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.096 5.348 7.059 1.00 0.00 H new ATOM 193 N ILE A 17 0.478 5.779 2.145 1.00 0.00 N ATOM 194 CA ILE A 17 1.323 5.553 0.985 1.00 0.00 C ATOM 195 C ILE A 17 2.758 5.968 1.317 1.00 0.00 C ATOM 196 O ILE A 17 3.644 5.121 1.420 1.00 0.00 O ATOM 197 CB ILE A 17 0.747 6.260 -0.244 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.623 5.688 -0.614 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.727 6.205 -1.417 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.256 6.479 -1.759 1.00 0.00 C ATOM 0 H ILE A 17 -0.420 6.218 1.940 1.00 0.00 H new ATOM 0 HA ILE A 17 1.347 4.493 0.732 1.00 0.00 H new ATOM 0 HB ILE A 17 0.600 7.311 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.518 4.642 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.279 5.713 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.293 6.714 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.659 6.696 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.928 5.165 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.229 6.052 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.382 7.519 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.609 6.431 -2.635 1.00 0.00 H new ATOM 212 N SER A 18 2.942 7.270 1.474 1.00 0.00 N ATOM 213 CA SER A 18 4.254 7.807 1.791 1.00 0.00 C ATOM 214 C SER A 18 4.912 6.968 2.888 1.00 0.00 C ATOM 215 O SER A 18 6.016 6.457 2.706 1.00 0.00 O ATOM 216 CB SER A 18 4.160 9.271 2.228 1.00 0.00 C ATOM 217 OG SER A 18 3.545 9.408 3.506 1.00 0.00 O ATOM 0 H SER A 18 2.204 7.969 1.388 1.00 0.00 H new ATOM 0 HA SER A 18 4.867 7.763 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.159 9.705 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.590 9.834 1.489 1.00 0.00 H new ATOM 0 HG SER A 18 2.734 8.859 3.539 1.00 0.00 H new ATOM 223 N GLN A 19 4.206 6.851 4.003 1.00 0.00 N ATOM 224 CA GLN A 19 4.707 6.082 5.129 1.00 0.00 C ATOM 225 C GLN A 19 5.324 4.769 4.643 1.00 0.00 C ATOM 226 O GLN A 19 6.487 4.484 4.925 1.00 0.00 O ATOM 227 CB GLN A 19 3.599 5.821 6.152 1.00 0.00 C ATOM 228 CG GLN A 19 3.275 7.089 6.945 1.00 0.00 C ATOM 229 CD GLN A 19 3.503 6.873 8.442 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.622 6.762 8.916 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.383 6.819 9.158 1.00 0.00 N ATOM 0 H GLN A 19 3.291 7.276 4.151 1.00 0.00 H new ATOM 0 HA GLN A 19 5.484 6.665 5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.703 5.468 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.909 5.030 6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.898 7.911 6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.239 7.377 6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.478 6.919 8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.429 6.677 10.167 1.00 0.00 H new ATOM 240 N VAL A 20 4.518 4.005 3.921 1.00 0.00 N ATOM 241 CA VAL A 20 4.971 2.729 3.393 1.00 0.00 C ATOM 242 C VAL A 20 6.082 2.971 2.369 1.00 0.00 C ATOM 243 O VAL A 20 7.165 2.399 2.477 1.00 0.00 O ATOM 244 CB VAL A 20 3.786 1.951 2.816 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.258 0.682 2.104 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.765 1.621 3.906 1.00 0.00 C ATOM 0 H VAL A 20 3.554 4.245 3.689 1.00 0.00 H new ATOM 0 HA VAL A 20 5.391 2.114 4.189 1.00 0.00 H new ATOM 0 HB VAL A 20 3.295 2.586 2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.397 0.148 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.930 0.951 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.785 0.042 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.933 1.068 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.239 1.014 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.394 2.545 4.349 1.00 0.00 H new ATOM 256 N LYS A 21 5.775 3.820 1.399 1.00 0.00 N ATOM 257 CA LYS A 21 6.734 4.145 0.357 1.00 0.00 C ATOM 258 C LYS A 21 8.100 4.410 0.992 1.00 0.00 C ATOM 259 O LYS A 21 9.088 3.768 0.638 1.00 0.00 O ATOM 260 CB LYS A 21 6.220 5.302 -0.502 1.00 0.00 C ATOM 261 CG LYS A 21 6.352 4.980 -1.992 1.00 0.00 C ATOM 262 CD LYS A 21 7.495 5.775 -2.626 1.00 0.00 C ATOM 263 CE LYS A 21 7.112 7.246 -2.794 1.00 0.00 C ATOM 264 NZ LYS A 21 7.408 8.004 -1.558 1.00 0.00 N ATOM 0 H LYS A 21 4.875 4.293 1.313 1.00 0.00 H new ATOM 0 HA LYS A 21 6.857 3.303 -0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.176 5.503 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.780 6.208 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.531 3.913 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.417 5.211 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.386 5.696 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.745 5.347 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.660 7.677 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.051 7.327 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.735 8.959 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.547 8.072 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.150 7.514 -1.019 1.00 0.00 H new ATOM 278 N ASP A 22 8.113 5.356 1.920 1.00 0.00 N ATOM 279 CA ASP A 22 9.342 5.714 2.607 1.00 0.00 C ATOM 280 C ASP A 22 10.091 4.439 3.001 1.00 0.00 C ATOM 281 O ASP A 22 11.319 4.429 3.061 1.00 0.00 O ATOM 282 CB ASP A 22 9.049 6.503 3.885 1.00 0.00 C ATOM 283 CG ASP A 22 8.988 8.022 3.707 1.00 0.00 C ATOM 284 OD1 ASP A 22 8.925 8.454 2.536 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.008 8.716 4.746 1.00 0.00 O ATOM 0 H ASP A 22 7.292 5.885 2.212 1.00 0.00 H new ATOM 0 HA ASP A 22 9.939 6.328 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.098 6.162 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.817 6.269 4.623 1.00 0.00 H new ATOM 290 N LEU A 23 9.319 3.393 3.259 1.00 0.00 N ATOM 291 CA LEU A 23 9.893 2.116 3.645 1.00 0.00 C ATOM 292 C LEU A 23 10.174 1.287 2.389 1.00 0.00 C ATOM 293 O LEU A 23 11.184 0.588 2.316 1.00 0.00 O ATOM 294 CB LEU A 23 8.993 1.408 4.659 1.00 0.00 C ATOM 295 CG LEU A 23 9.012 1.972 6.081 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.069 1.188 6.995 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.438 2.018 6.634 1.00 0.00 C ATOM 0 H LEU A 23 8.300 3.405 3.208 1.00 0.00 H new ATOM 0 HA LEU A 23 10.847 2.265 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.968 1.441 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.283 0.358 4.702 1.00 0.00 H new ATOM 0 HG LEU A 23 8.647 2.998 6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.102 1.610 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.052 1.251 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.380 0.144 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.423 2.423 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.854 1.011 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.055 2.653 5.998 1.00 0.00 H new ATOM 309 N LEU A 24 9.264 1.393 1.433 1.00 0.00 N ATOM 310 CA LEU A 24 9.401 0.663 0.184 1.00 0.00 C ATOM 311 C LEU A 24 9.248 1.633 -0.989 1.00 0.00 C ATOM 312 O LEU A 24 8.236 1.615 -1.687 1.00 0.00 O ATOM 313 CB LEU A 24 8.423 -0.513 0.141 1.00 0.00 C ATOM 314 CG LEU A 24 8.634 -1.600 1.197 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.534 -2.661 1.119 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.030 -2.213 1.081 1.00 0.00 C ATOM 0 H LEU A 24 8.428 1.974 1.498 1.00 0.00 H new ATOM 0 HA LEU A 24 10.396 0.224 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.411 -0.122 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.484 -0.975 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 24 8.566 -1.137 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.708 -3.422 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.564 -2.193 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.545 -3.125 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.154 -2.983 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.151 -2.657 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.781 -1.436 1.224 1.00 0.00 H new ATOM 328 N PRO A 25 10.296 2.480 -1.174 1.00 0.00 N ATOM 329 CA PRO A 25 10.288 3.456 -2.251 1.00 0.00 C ATOM 330 C PRO A 25 10.547 2.785 -3.601 1.00 0.00 C ATOM 331 O PRO A 25 10.139 3.298 -4.642 1.00 0.00 O ATOM 332 CB PRO A 25 11.361 4.465 -1.874 1.00 0.00 C ATOM 333 CG PRO A 25 12.243 3.773 -0.848 1.00 0.00 C ATOM 334 CD PRO A 25 11.512 2.531 -0.367 1.00 0.00 C ATOM 0 HA PRO A 25 9.321 3.946 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.940 4.764 -2.748 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.917 5.370 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.203 3.504 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.452 4.441 -0.012 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.118 1.636 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.279 2.595 0.696 1.00 0.00 H new ATOM 342 N ASP A 26 11.223 1.647 -3.541 1.00 0.00 N ATOM 343 CA ASP A 26 11.540 0.900 -4.746 1.00 0.00 C ATOM 344 C ASP A 26 10.259 0.668 -5.549 1.00 0.00 C ATOM 345 O ASP A 26 10.188 1.017 -6.726 1.00 0.00 O ATOM 346 CB ASP A 26 12.139 -0.466 -4.406 1.00 0.00 C ATOM 347 CG ASP A 26 13.663 -0.488 -4.269 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.324 -0.004 -5.213 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.132 -0.989 -3.224 1.00 0.00 O ATOM 0 H ASP A 26 11.560 1.224 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 26 12.264 1.478 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.700 -0.816 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.849 -1.176 -5.180 1.00 0.00 H new ATOM 354 N LEU A 27 9.278 0.079 -4.881 1.00 0.00 N ATOM 355 CA LEU A 27 8.003 -0.204 -5.518 1.00 0.00 C ATOM 356 C LEU A 27 7.328 1.113 -5.905 1.00 0.00 C ATOM 357 O LEU A 27 7.703 2.175 -5.411 1.00 0.00 O ATOM 358 CB LEU A 27 7.143 -1.097 -4.621 1.00 0.00 C ATOM 359 CG LEU A 27 7.711 -2.483 -4.310 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.007 -3.107 -3.104 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.650 -3.389 -5.542 1.00 0.00 C ATOM 0 H LEU A 27 9.340 -0.210 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 27 8.153 -0.768 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.974 -0.576 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.169 -1.223 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 27 8.762 -2.370 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.430 -4.092 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.146 -2.469 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.942 -3.206 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.060 -4.368 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.614 -3.500 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.233 -2.945 -6.349 1.00 0.00 H new ATOM 373 N GLY A 28 6.343 1.000 -6.784 1.00 0.00 N ATOM 374 CA GLY A 28 5.612 2.168 -7.243 1.00 0.00 C ATOM 375 C GLY A 28 4.379 2.420 -6.373 1.00 0.00 C ATOM 376 O GLY A 28 3.703 1.479 -5.960 1.00 0.00 O ATOM 0 H GLY A 28 6.034 0.117 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.263 3.042 -7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.307 2.026 -8.280 1.00 0.00 H new ATOM 380 N GLU A 29 4.123 3.695 -6.119 1.00 0.00 N ATOM 381 CA GLU A 29 2.983 4.082 -5.306 1.00 0.00 C ATOM 382 C GLU A 29 1.715 3.383 -5.801 1.00 0.00 C ATOM 383 O GLU A 29 0.991 2.774 -5.015 1.00 0.00 O ATOM 384 CB GLU A 29 2.804 5.602 -5.301 1.00 0.00 C ATOM 385 CG GLU A 29 3.578 6.241 -4.146 1.00 0.00 C ATOM 386 CD GLU A 29 3.019 7.626 -3.812 1.00 0.00 C ATOM 387 OE1 GLU A 29 1.786 7.786 -3.940 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.838 8.493 -3.437 1.00 0.00 O ATOM 0 H GLU A 29 4.686 4.473 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 29 3.171 3.767 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.150 6.016 -6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.745 5.847 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.521 5.600 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.632 6.324 -4.412 1.00 0.00 H new ATOM 395 N GLY A 30 1.486 3.493 -7.101 1.00 0.00 N ATOM 396 CA GLY A 30 0.319 2.878 -7.710 1.00 0.00 C ATOM 397 C GLY A 30 0.051 1.497 -7.110 1.00 0.00 C ATOM 398 O GLY A 30 -1.088 1.170 -6.779 1.00 0.00 O ATOM 0 H GLY A 30 2.089 3.999 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.552 3.517 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.471 2.788 -8.786 1.00 0.00 H new ATOM 402 N PHE A 31 1.119 0.722 -6.988 1.00 0.00 N ATOM 403 CA PHE A 31 1.014 -0.616 -6.433 1.00 0.00 C ATOM 404 C PHE A 31 0.905 -0.571 -4.908 1.00 0.00 C ATOM 405 O PHE A 31 0.274 -1.435 -4.301 1.00 0.00 O ATOM 406 CB PHE A 31 2.292 -1.363 -6.820 1.00 0.00 C ATOM 407 CG PHE A 31 2.495 -2.680 -6.069 1.00 0.00 C ATOM 408 CD1 PHE A 31 1.880 -3.813 -6.503 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.291 -2.718 -4.966 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.069 -5.035 -5.805 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.480 -3.940 -4.269 1.00 0.00 C ATOM 412 CZ PHE A 31 2.865 -5.073 -4.703 1.00 0.00 C ATOM 0 H PHE A 31 2.062 0.996 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 31 0.122 -1.109 -6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.271 -1.567 -7.891 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.149 -0.715 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.248 -3.783 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.779 -1.818 -4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.580 -5.935 -6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.112 -3.970 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.009 -6.003 -4.172 1.00 0.00 H new ATOM 422 N ILE A 32 1.531 0.445 -4.332 1.00 0.00 N ATOM 423 CA ILE A 32 1.513 0.614 -2.889 1.00 0.00 C ATOM 424 C ILE A 32 0.104 1.010 -2.444 1.00 0.00 C ATOM 425 O ILE A 32 -0.357 0.587 -1.385 1.00 0.00 O ATOM 426 CB ILE A 32 2.597 1.602 -2.452 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.983 1.124 -2.889 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.528 1.860 -0.945 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.973 2.290 -2.944 1.00 0.00 C ATOM 0 H ILE A 32 2.054 1.159 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 32 1.752 -0.326 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 32 2.413 2.554 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.346 0.366 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.917 0.652 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.309 2.565 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.553 2.276 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.673 0.922 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.950 1.923 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.619 3.034 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.055 2.744 -1.957 1.00 0.00 H new ATOM 441 N LEU A 33 -0.540 1.816 -3.275 1.00 0.00 N ATOM 442 CA LEU A 33 -1.887 2.273 -2.980 1.00 0.00 C ATOM 443 C LEU A 33 -2.854 1.091 -3.071 1.00 0.00 C ATOM 444 O LEU A 33 -3.605 0.825 -2.134 1.00 0.00 O ATOM 445 CB LEU A 33 -2.264 3.448 -3.885 1.00 0.00 C ATOM 446 CG LEU A 33 -3.741 3.848 -3.884 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.563 2.912 -4.772 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.290 3.915 -2.457 1.00 0.00 C ATOM 0 H LEU A 33 -0.154 2.164 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.945 2.654 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.673 4.314 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.976 3.201 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.824 4.849 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.609 3.218 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.189 2.959 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.478 1.891 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.341 4.201 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.192 2.938 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.728 4.653 -1.885 1.00 0.00 H new ATOM 460 N ALA A 34 -2.804 0.414 -4.209 1.00 0.00 N ATOM 461 CA ALA A 34 -3.666 -0.733 -4.435 1.00 0.00 C ATOM 462 C ALA A 34 -3.621 -1.649 -3.210 1.00 0.00 C ATOM 463 O ALA A 34 -4.659 -1.982 -2.641 1.00 0.00 O ATOM 464 CB ALA A 34 -3.236 -1.451 -5.716 1.00 0.00 C ATOM 0 H ALA A 34 -2.180 0.638 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.700 -0.415 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.883 -2.312 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.314 -0.766 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.204 -1.787 -5.616 1.00 0.00 H new ATOM 470 N CYS A 35 -2.407 -2.031 -2.841 1.00 0.00 N ATOM 471 CA CYS A 35 -2.213 -2.902 -1.694 1.00 0.00 C ATOM 472 C CYS A 35 -3.007 -2.331 -0.518 1.00 0.00 C ATOM 473 O CYS A 35 -3.928 -2.973 -0.017 1.00 0.00 O ATOM 474 CB CYS A 35 -0.730 -3.068 -1.355 1.00 0.00 C ATOM 475 SG CYS A 35 -0.010 -4.429 -2.345 1.00 0.00 S ATOM 0 H CYS A 35 -1.548 -1.753 -3.316 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.579 -3.902 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.196 -2.139 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.613 -3.279 -0.292 1.00 0.00 H new ATOM 0 HG CYS A 35 0.985 -3.975 -3.048 1.00 0.00 H new ATOM 481 N LEU A 36 -2.621 -1.131 -0.111 1.00 0.00 N ATOM 482 CA LEU A 36 -3.285 -0.466 0.997 1.00 0.00 C ATOM 483 C LEU A 36 -4.796 -0.677 0.881 1.00 0.00 C ATOM 484 O LEU A 36 -5.418 -1.244 1.777 1.00 0.00 O ATOM 485 CB LEU A 36 -2.873 1.005 1.065 1.00 0.00 C ATOM 486 CG LEU A 36 -1.559 1.301 1.791 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.897 2.563 1.234 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.775 1.387 3.303 1.00 0.00 C ATOM 0 H LEU A 36 -1.856 -0.601 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.973 -0.904 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.797 1.388 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.670 1.563 1.557 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.875 0.472 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.035 2.751 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.687 2.426 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.567 3.413 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.825 1.598 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.484 2.185 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.170 0.439 3.669 1.00 0.00 H new ATOM 500 N GLU A 37 -5.342 -0.208 -0.232 1.00 0.00 N ATOM 501 CA GLU A 37 -6.769 -0.338 -0.477 1.00 0.00 C ATOM 502 C GLU A 37 -7.245 -1.744 -0.105 1.00 0.00 C ATOM 503 O GLU A 37 -8.209 -1.898 0.643 1.00 0.00 O ATOM 504 CB GLU A 37 -7.106 -0.012 -1.933 1.00 0.00 C ATOM 505 CG GLU A 37 -7.219 1.499 -2.145 1.00 0.00 C ATOM 506 CD GLU A 37 -8.359 1.834 -3.109 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.455 1.268 -2.910 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.108 2.649 -4.023 1.00 0.00 O ATOM 0 H GLU A 37 -4.823 0.262 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.294 0.380 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.335 -0.418 -2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.045 -0.493 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.390 1.992 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.279 1.886 -2.539 1.00 0.00 H new ATOM 515 N TYR A 38 -6.548 -2.733 -0.645 1.00 0.00 N ATOM 516 CA TYR A 38 -6.888 -4.120 -0.380 1.00 0.00 C ATOM 517 C TYR A 38 -6.725 -4.450 1.105 1.00 0.00 C ATOM 518 O TYR A 38 -7.571 -5.125 1.691 1.00 0.00 O ATOM 519 CB TYR A 38 -5.897 -4.959 -1.188 1.00 0.00 C ATOM 520 CG TYR A 38 -6.185 -6.462 -1.159 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.786 -7.220 -0.078 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.845 -7.058 -2.215 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.057 -8.634 -0.051 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.116 -8.472 -2.188 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.709 -9.190 -1.107 1.00 0.00 C ATOM 526 OH TYR A 38 -6.965 -10.526 -1.081 1.00 0.00 O ATOM 0 H TYR A 38 -5.749 -2.601 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.924 -4.320 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.907 -4.617 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.892 -4.785 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.270 -6.753 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.158 -6.464 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.749 -9.239 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.631 -8.951 -3.008 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.437 -10.785 -1.900 1.00 0.00 H new ATOM 536 N TYR A 39 -5.633 -3.958 1.671 1.00 0.00 N ATOM 537 CA TYR A 39 -5.348 -4.193 3.077 1.00 0.00 C ATOM 538 C TYR A 39 -6.011 -3.129 3.955 1.00 0.00 C ATOM 539 O TYR A 39 -5.402 -2.634 4.903 1.00 0.00 O ATOM 540 CB TYR A 39 -3.829 -4.084 3.223 1.00 0.00 C ATOM 541 CG TYR A 39 -3.059 -5.247 2.597 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.098 -6.496 3.183 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.325 -5.048 1.445 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.372 -7.591 2.593 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.599 -6.144 0.855 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.659 -7.361 1.458 1.00 0.00 C ATOM 547 OH TYR A 39 -0.974 -8.395 0.901 1.00 0.00 O ATOM 0 H TYR A 39 -4.935 -3.398 1.182 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.729 -5.165 3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.496 -3.153 2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.579 -4.025 4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.673 -6.652 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.295 -4.071 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.393 -8.573 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.020 -6.002 -0.046 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.607 -9.039 0.519 1.00 0.00 H new ATOM 557 N HIS A 40 -7.249 -2.809 3.608 1.00 0.00 N ATOM 558 CA HIS A 40 -8.001 -1.813 4.353 1.00 0.00 C ATOM 559 C HIS A 40 -7.078 -0.655 4.737 1.00 0.00 C ATOM 560 O HIS A 40 -6.947 -0.324 5.915 1.00 0.00 O ATOM 561 CB HIS A 40 -8.692 -2.446 5.563 1.00 0.00 C ATOM 562 CG HIS A 40 -10.133 -2.825 5.318 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.192 -1.997 5.646 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.678 -3.951 4.773 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.319 -2.607 5.311 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.999 -3.818 4.771 1.00 0.00 N ATOM 0 H HIS A 40 -7.750 -3.222 2.821 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.795 -1.407 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -8.138 -3.337 5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.647 -1.749 6.400 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.128 -4.805 4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.316 -2.214 5.442 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.665 -4.508 4.423 1.00 0.00 H new ATOM 574 N TYR A 41 -6.462 -0.069 3.721 1.00 0.00 N ATOM 575 CA TYR A 41 -5.555 1.045 3.937 1.00 0.00 C ATOM 576 C TYR A 41 -4.705 0.826 5.190 1.00 0.00 C ATOM 577 O TYR A 41 -4.643 1.691 6.062 1.00 0.00 O ATOM 578 CB TYR A 41 -6.441 2.275 4.145 1.00 0.00 C ATOM 579 CG TYR A 41 -7.185 2.727 2.887 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.476 3.165 1.787 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.564 2.697 2.852 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.176 3.591 0.602 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.264 3.122 1.668 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.536 3.548 0.601 1.00 0.00 C ATOM 585 OH TYR A 41 -9.197 3.950 -0.517 1.00 0.00 O ATOM 0 H TYR A 41 -6.573 -0.345 2.745 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.876 1.156 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.169 2.057 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.823 3.098 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.397 3.188 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.118 2.355 3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.634 3.937 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.343 3.103 1.628 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.163 3.864 -0.375 1.00 0.00 H new ATOM 595 N ASP A 42 -4.070 -0.337 5.239 1.00 0.00 N ATOM 596 CA ASP A 42 -3.226 -0.681 6.370 1.00 0.00 C ATOM 597 C ASP A 42 -1.764 -0.701 5.923 1.00 0.00 C ATOM 598 O ASP A 42 -1.407 -1.412 4.985 1.00 0.00 O ATOM 599 CB ASP A 42 -3.573 -2.068 6.914 1.00 0.00 C ATOM 600 CG ASP A 42 -4.958 -2.184 7.555 1.00 0.00 C ATOM 601 OD1 ASP A 42 -5.326 -1.239 8.286 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.617 -3.215 7.299 1.00 0.00 O ATOM 0 H ASP A 42 -4.124 -1.052 4.514 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.388 0.063 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.505 -2.789 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.823 -2.350 7.653 1.00 0.00 H new ATOM 607 N PRO A 43 -0.934 0.109 6.633 1.00 0.00 N ATOM 608 CA PRO A 43 0.482 0.191 6.319 1.00 0.00 C ATOM 609 C PRO A 43 1.225 -1.054 6.806 1.00 0.00 C ATOM 610 O PRO A 43 1.870 -1.744 6.018 1.00 0.00 O ATOM 611 CB PRO A 43 0.961 1.469 6.989 1.00 0.00 C ATOM 612 CG PRO A 43 -0.088 1.809 8.035 1.00 0.00 C ATOM 613 CD PRO A 43 -1.321 0.966 7.750 1.00 0.00 C ATOM 0 HA PRO A 43 0.673 0.224 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.939 1.326 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.065 2.275 6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.291 1.605 9.036 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.334 2.870 7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.607 0.376 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.177 1.590 7.492 1.00 0.00 H new ATOM 621 N GLU A 44 1.109 -1.304 8.102 1.00 0.00 N ATOM 622 CA GLU A 44 1.762 -2.454 8.704 1.00 0.00 C ATOM 623 C GLU A 44 1.484 -3.713 7.880 1.00 0.00 C ATOM 624 O GLU A 44 2.406 -4.454 7.541 1.00 0.00 O ATOM 625 CB GLU A 44 1.317 -2.640 10.155 1.00 0.00 C ATOM 626 CG GLU A 44 2.477 -2.388 11.121 1.00 0.00 C ATOM 627 CD GLU A 44 2.199 -3.017 12.488 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.162 -2.650 13.081 1.00 0.00 O ATOM 629 OE2 GLU A 44 3.029 -3.851 12.908 1.00 0.00 O ATOM 0 H GLU A 44 0.572 -0.730 8.752 1.00 0.00 H new ATOM 0 HA GLU A 44 2.837 -2.276 8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.498 -1.956 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.935 -3.651 10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.396 -2.802 10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.633 -1.315 11.235 1.00 0.00 H new ATOM 636 N GLN A 45 0.210 -3.917 7.581 1.00 0.00 N ATOM 637 CA GLN A 45 -0.201 -5.073 6.803 1.00 0.00 C ATOM 638 C GLN A 45 0.601 -5.150 5.502 1.00 0.00 C ATOM 639 O GLN A 45 1.324 -6.118 5.271 1.00 0.00 O ATOM 640 CB GLN A 45 -1.704 -5.038 6.519 1.00 0.00 C ATOM 641 CG GLN A 45 -2.509 -5.274 7.798 1.00 0.00 C ATOM 642 CD GLN A 45 -3.933 -5.730 7.472 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.218 -6.251 6.407 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.809 -5.504 8.447 1.00 0.00 N ATOM 0 H GLN A 45 -0.552 -3.301 7.864 1.00 0.00 H new ATOM 0 HA GLN A 45 0.004 -5.970 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.974 -4.074 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.956 -5.799 5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.013 -6.027 8.411 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.542 -4.357 8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.504 -5.063 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.786 -5.771 8.327 1.00 0.00 H new ATOM 653 N VAL A 46 0.447 -4.117 4.687 1.00 0.00 N ATOM 654 CA VAL A 46 1.147 -4.056 3.416 1.00 0.00 C ATOM 655 C VAL A 46 2.580 -4.558 3.603 1.00 0.00 C ATOM 656 O VAL A 46 2.958 -5.589 3.050 1.00 0.00 O ATOM 657 CB VAL A 46 1.081 -2.636 2.850 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.935 -2.509 1.587 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.367 -2.222 2.576 1.00 0.00 C ATOM 0 H VAL A 46 -0.153 -3.315 4.883 1.00 0.00 H new ATOM 0 HA VAL A 46 0.667 -4.706 2.685 1.00 0.00 H new ATOM 0 HB VAL A 46 1.488 -1.957 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.870 -1.490 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.973 -2.742 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.571 -3.204 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.386 -1.209 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.811 -2.907 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.937 -2.255 3.505 1.00 0.00 H new ATOM 669 N ILE A 47 3.339 -3.805 4.386 1.00 0.00 N ATOM 670 CA ILE A 47 4.722 -4.161 4.654 1.00 0.00 C ATOM 671 C ILE A 47 4.791 -5.621 5.106 1.00 0.00 C ATOM 672 O ILE A 47 5.517 -6.423 4.520 1.00 0.00 O ATOM 673 CB ILE A 47 5.345 -3.180 5.649 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.413 -1.770 5.059 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.716 -3.671 6.119 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.569 -0.721 6.162 1.00 0.00 C ATOM 0 H ILE A 47 3.022 -2.950 4.843 1.00 0.00 H new ATOM 0 HA ILE A 47 5.318 -4.080 3.745 1.00 0.00 H new ATOM 0 HB ILE A 47 4.702 -3.131 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.252 -1.702 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.508 -1.568 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.136 -2.955 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.608 -4.640 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.382 -3.768 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.615 0.272 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.717 -0.776 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.487 -0.912 6.718 1.00 0.00 H new ATOM 688 N ASN A 48 4.024 -5.923 6.144 1.00 0.00 N ATOM 689 CA ASN A 48 3.989 -7.272 6.681 1.00 0.00 C ATOM 690 C ASN A 48 3.841 -8.270 5.531 1.00 0.00 C ATOM 691 O ASN A 48 4.656 -9.179 5.385 1.00 0.00 O ATOM 692 CB ASN A 48 2.799 -7.458 7.625 1.00 0.00 C ATOM 693 CG ASN A 48 3.223 -7.283 9.084 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.254 -8.219 9.866 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.548 -6.034 9.407 1.00 0.00 N ATOM 0 H ASN A 48 3.422 -5.256 6.627 1.00 0.00 H new ATOM 0 HA ASN A 48 4.915 -7.441 7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.020 -6.736 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.370 -8.450 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.845 -5.814 10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.500 -5.297 8.704 1.00 0.00 H new ATOM 702 N ASN A 49 2.794 -8.067 4.745 1.00 0.00 N ATOM 703 CA ASN A 49 2.529 -8.938 3.612 1.00 0.00 C ATOM 704 C ASN A 49 3.798 -9.071 2.768 1.00 0.00 C ATOM 705 O ASN A 49 4.370 -10.155 2.667 1.00 0.00 O ATOM 706 CB ASN A 49 1.426 -8.363 2.721 1.00 0.00 C ATOM 707 CG ASN A 49 0.258 -7.843 3.561 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.147 -6.696 3.466 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.259 -8.747 4.388 1.00 0.00 N ATOM 0 H ASN A 49 2.119 -7.312 4.870 1.00 0.00 H new ATOM 0 HA ASN A 49 2.212 -9.906 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.830 -7.554 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.071 -9.131 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.042 -8.497 4.992 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.127 -9.691 4.418 1.00 0.00 H new ATOM 716 N ILE A 50 4.201 -7.952 2.183 1.00 0.00 N ATOM 717 CA ILE A 50 5.392 -7.929 1.351 1.00 0.00 C ATOM 718 C ILE A 50 6.520 -8.678 2.063 1.00 0.00 C ATOM 719 O ILE A 50 7.124 -9.585 1.493 1.00 0.00 O ATOM 720 CB ILE A 50 5.752 -6.492 0.970 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.626 -5.840 0.164 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.090 -6.440 0.231 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.590 -4.329 0.396 1.00 0.00 C ATOM 0 H ILE A 50 3.724 -7.055 2.269 1.00 0.00 H new ATOM 0 HA ILE A 50 5.209 -8.447 0.409 1.00 0.00 H new ATOM 0 HB ILE A 50 5.868 -5.914 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.768 -6.045 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.669 -6.278 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.322 -5.407 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.876 -6.839 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.027 -7.037 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.781 -3.890 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.424 -4.127 1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.539 -3.891 0.088 1.00 0.00 H new ATOM 735 N LEU A 51 6.771 -8.270 3.298 1.00 0.00 N ATOM 736 CA LEU A 51 7.816 -8.890 4.094 1.00 0.00 C ATOM 737 C LEU A 51 7.619 -10.407 4.094 1.00 0.00 C ATOM 738 O LEU A 51 8.564 -11.160 3.862 1.00 0.00 O ATOM 739 CB LEU A 51 7.860 -8.276 5.495 1.00 0.00 C ATOM 740 CG LEU A 51 8.836 -7.114 5.687 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.694 -6.504 7.083 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.273 -7.550 5.396 1.00 0.00 C ATOM 0 H LEU A 51 6.268 -7.517 3.767 1.00 0.00 H new ATOM 0 HA LEU A 51 8.794 -8.695 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.859 -7.929 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.116 -9.061 6.206 1.00 0.00 H new ATOM 0 HG LEU A 51 8.584 -6.335 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.399 -5.680 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.678 -6.132 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.904 -7.264 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.946 -6.705 5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.553 -8.356 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.346 -7.900 4.366 1.00 0.00 H new ATOM 754 N GLU A 52 6.385 -10.812 4.357 1.00 0.00 N ATOM 755 CA GLU A 52 6.051 -12.225 4.390 1.00 0.00 C ATOM 756 C GLU A 52 5.663 -12.712 2.992 1.00 0.00 C ATOM 757 O GLU A 52 5.064 -13.776 2.846 1.00 0.00 O ATOM 758 CB GLU A 52 4.933 -12.501 5.397 1.00 0.00 C ATOM 759 CG GLU A 52 5.384 -12.171 6.821 1.00 0.00 C ATOM 760 CD GLU A 52 5.674 -13.447 7.614 1.00 0.00 C ATOM 761 OE1 GLU A 52 4.704 -14.196 7.859 1.00 0.00 O ATOM 762 OE2 GLU A 52 6.860 -13.644 7.958 1.00 0.00 O ATOM 0 H GLU A 52 5.604 -10.185 4.549 1.00 0.00 H new ATOM 0 HA GLU A 52 6.932 -12.779 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.055 -11.907 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.637 -13.548 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.278 -11.548 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.611 -11.592 7.326 1.00 0.00 H new ATOM 769 N GLU A 53 6.019 -11.909 2.001 1.00 0.00 N ATOM 770 CA GLU A 53 5.716 -12.244 0.620 1.00 0.00 C ATOM 771 C GLU A 53 4.309 -12.838 0.515 1.00 0.00 C ATOM 772 O GLU A 53 4.059 -13.707 -0.319 1.00 0.00 O ATOM 773 CB GLU A 53 6.760 -13.204 0.046 1.00 0.00 C ATOM 774 CG GLU A 53 7.764 -12.459 -0.836 1.00 0.00 C ATOM 775 CD GLU A 53 9.159 -13.076 -0.721 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.474 -13.565 0.386 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.879 -13.046 -1.742 1.00 0.00 O ATOM 0 H GLU A 53 6.515 -11.027 2.127 1.00 0.00 H new ATOM 0 HA GLU A 53 5.749 -11.329 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.286 -13.704 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.264 -13.980 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.434 -12.489 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.801 -11.410 -0.544 1.00 0.00 H new ATOM 784 N ARG A 54 3.428 -12.345 1.373 1.00 0.00 N ATOM 785 CA ARG A 54 2.053 -12.815 1.387 1.00 0.00 C ATOM 786 C ARG A 54 1.156 -11.856 0.603 1.00 0.00 C ATOM 787 O ARG A 54 -0.013 -11.677 0.942 1.00 0.00 O ATOM 788 CB ARG A 54 1.528 -12.940 2.818 1.00 0.00 C ATOM 789 CG ARG A 54 2.231 -14.076 3.563 1.00 0.00 C ATOM 790 CD ARG A 54 1.222 -14.945 4.317 1.00 0.00 C ATOM 791 NE ARG A 54 0.252 -15.534 3.367 1.00 0.00 N ATOM 792 CZ ARG A 54 0.462 -16.667 2.684 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.610 -17.341 2.843 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.474 -17.127 1.844 1.00 0.00 N ATOM 0 H ARG A 54 3.640 -11.625 2.064 1.00 0.00 H new ATOM 0 HA ARG A 54 2.034 -13.799 0.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.683 -12.001 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.453 -13.122 2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.788 -14.690 2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.955 -13.662 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.743 -15.737 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.697 -14.345 5.061 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.632 -15.046 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.322 -16.991 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.771 -18.204 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.348 -16.615 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.313 -17.990 1.324 1.00 0.00 H new ATOM 808 N LEU A 55 1.736 -11.263 -0.430 1.00 0.00 N ATOM 809 CA LEU A 55 1.003 -10.327 -1.265 1.00 0.00 C ATOM 810 C LEU A 55 -0.023 -11.092 -2.102 1.00 0.00 C ATOM 811 O LEU A 55 0.337 -11.979 -2.874 1.00 0.00 O ATOM 812 CB LEU A 55 1.969 -9.481 -2.097 1.00 0.00 C ATOM 813 CG LEU A 55 2.552 -8.249 -1.403 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.510 -7.498 -2.330 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.439 -7.341 -0.872 1.00 0.00 C ATOM 0 H LEU A 55 2.706 -11.413 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 55 0.448 -9.620 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.794 -10.117 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.450 -9.154 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 55 3.133 -8.584 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.910 -6.627 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.329 -8.157 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.974 -7.175 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.880 -6.472 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.812 -7.012 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.832 -7.892 -0.154 1.00 0.00 H new ATOM 827 N ALA A 56 -1.282 -10.720 -1.922 1.00 0.00 N ATOM 828 CA ALA A 56 -2.363 -11.360 -2.652 1.00 0.00 C ATOM 829 C ALA A 56 -1.954 -11.529 -4.116 1.00 0.00 C ATOM 830 O ALA A 56 -1.025 -10.873 -4.585 1.00 0.00 O ATOM 831 CB ALA A 56 -3.643 -10.536 -2.495 1.00 0.00 C ATOM 0 H ALA A 56 -1.577 -9.983 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.563 -12.353 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.454 -11.016 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.907 -10.471 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.481 -9.533 -2.891 1.00 0.00 H new ATOM 837 N PRO A 57 -2.688 -12.435 -4.817 1.00 0.00 N ATOM 838 CA PRO A 57 -2.411 -12.698 -6.219 1.00 0.00 C ATOM 839 C PRO A 57 -2.916 -11.555 -7.102 1.00 0.00 C ATOM 840 O PRO A 57 -2.302 -11.234 -8.118 1.00 0.00 O ATOM 841 CB PRO A 57 -3.096 -14.023 -6.513 1.00 0.00 C ATOM 842 CG PRO A 57 -4.114 -14.221 -5.402 1.00 0.00 C ATOM 843 CD PRO A 57 -3.796 -13.229 -4.295 1.00 0.00 C ATOM 0 HA PRO A 57 -1.344 -12.760 -6.433 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.581 -14.004 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.375 -14.840 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.125 -14.062 -5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.072 -15.242 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.658 -12.603 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.518 -13.740 -3.373 1.00 0.00 H new ATOM 851 N THR A 58 -4.029 -10.972 -6.681 1.00 0.00 N ATOM 852 CA THR A 58 -4.623 -9.872 -7.421 1.00 0.00 C ATOM 853 C THR A 58 -3.732 -8.631 -7.337 1.00 0.00 C ATOM 854 O THR A 58 -3.765 -7.779 -8.224 1.00 0.00 O ATOM 855 CB THR A 58 -6.035 -9.645 -6.877 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.763 -10.791 -7.310 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.744 -8.473 -7.559 1.00 0.00 C ATOM 0 H THR A 58 -4.535 -11.241 -5.837 1.00 0.00 H new ATOM 0 HA THR A 58 -4.702 -10.105 -8.483 1.00 0.00 H new ATOM 0 HB THR A 58 -5.985 -9.464 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.690 -10.727 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.742 -8.355 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.172 -7.559 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.824 -8.669 -8.628 1.00 0.00 H new ATOM 865 N LEU A 59 -2.958 -8.568 -6.264 1.00 0.00 N ATOM 866 CA LEU A 59 -2.060 -7.446 -6.053 1.00 0.00 C ATOM 867 C LEU A 59 -0.668 -7.806 -6.575 1.00 0.00 C ATOM 868 O LEU A 59 -0.020 -6.996 -7.236 1.00 0.00 O ATOM 869 CB LEU A 59 -2.074 -7.017 -4.584 1.00 0.00 C ATOM 870 CG LEU A 59 -3.446 -6.984 -3.908 1.00 0.00 C ATOM 871 CD1 LEU A 59 -3.307 -7.004 -2.385 1.00 0.00 C ATOM 872 CD2 LEU A 59 -4.269 -5.789 -4.393 1.00 0.00 C ATOM 0 H LEU A 59 -2.934 -9.277 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.398 -6.577 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.430 -7.694 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.632 -6.023 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.989 -7.885 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.297 -6.980 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.788 -7.913 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.737 -6.134 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.239 -5.790 -3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.742 -4.865 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.413 -5.860 -5.471 1.00 0.00 H new ATOM 884 N SER A 60 -0.249 -9.023 -6.259 1.00 0.00 N ATOM 885 CA SER A 60 1.054 -9.501 -6.687 1.00 0.00 C ATOM 886 C SER A 60 1.155 -9.448 -8.213 1.00 0.00 C ATOM 887 O SER A 60 2.250 -9.510 -8.769 1.00 0.00 O ATOM 888 CB SER A 60 1.311 -10.924 -6.187 1.00 0.00 C ATOM 889 OG SER A 60 2.362 -11.561 -6.907 1.00 0.00 O ATOM 0 H SER A 60 -0.790 -9.692 -5.711 1.00 0.00 H new ATOM 0 HA SER A 60 1.815 -8.851 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.563 -10.896 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.398 -11.512 -6.282 1.00 0.00 H new ATOM 0 HG SER A 60 2.496 -12.466 -6.557 1.00 0.00 H new ATOM 895 N GLN A 61 -0.003 -9.334 -8.847 1.00 0.00 N ATOM 896 CA GLN A 61 -0.059 -9.272 -10.298 1.00 0.00 C ATOM 897 C GLN A 61 0.199 -7.843 -10.778 1.00 0.00 C ATOM 898 O GLN A 61 0.910 -7.633 -11.760 1.00 0.00 O ATOM 899 CB GLN A 61 -1.401 -9.792 -10.817 1.00 0.00 C ATOM 900 CG GLN A 61 -1.494 -11.312 -10.672 1.00 0.00 C ATOM 901 CD GLN A 61 -0.945 -12.016 -11.915 1.00 0.00 C ATOM 902 OE1 GLN A 61 0.043 -11.611 -12.504 1.00 0.00 O ATOM 903 NE2 GLN A 61 -1.641 -13.089 -12.280 1.00 0.00 N ATOM 0 H GLN A 61 -0.910 -9.283 -8.383 1.00 0.00 H new ATOM 0 HA GLN A 61 0.723 -9.916 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.215 -9.320 -10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.522 -9.515 -11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.936 -11.632 -9.792 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.532 -11.603 -10.514 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.459 -13.373 -11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.356 -13.627 -13.098 1.00 0.00 H new ATOM 912 N LEU A 62 -0.393 -6.896 -10.064 1.00 0.00 N ATOM 913 CA LEU A 62 -0.237 -5.493 -10.406 1.00 0.00 C ATOM 914 C LEU A 62 1.251 -5.174 -10.565 1.00 0.00 C ATOM 915 O LEU A 62 2.094 -5.780 -9.903 1.00 0.00 O ATOM 916 CB LEU A 62 -0.949 -4.609 -9.380 1.00 0.00 C ATOM 917 CG LEU A 62 -2.388 -5.001 -9.041 1.00 0.00 C ATOM 918 CD1 LEU A 62 -3.027 -3.981 -8.096 1.00 0.00 C ATOM 919 CD2 LEU A 62 -3.216 -5.201 -10.312 1.00 0.00 C ATOM 0 H LEU A 62 -0.982 -7.074 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.714 -5.279 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.366 -4.613 -8.459 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.951 -3.584 -9.752 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.366 -5.956 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.050 -4.284 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.452 -3.931 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.035 -3.000 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.235 -5.479 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.232 -4.274 -10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.771 -5.993 -10.915 1.00 0.00 H new ATOM 931 N ASP A 63 1.529 -4.224 -11.445 1.00 0.00 N ATOM 932 CA ASP A 63 2.901 -3.817 -11.699 1.00 0.00 C ATOM 933 C ASP A 63 3.554 -3.389 -10.383 1.00 0.00 C ATOM 934 O ASP A 63 3.085 -2.461 -9.727 1.00 0.00 O ATOM 935 CB ASP A 63 2.954 -2.629 -12.661 1.00 0.00 C ATOM 936 CG ASP A 63 4.061 -2.699 -13.715 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.733 -3.753 -13.764 1.00 0.00 O ATOM 938 OD2 ASP A 63 4.212 -1.698 -14.448 1.00 0.00 O ATOM 0 H ASP A 63 0.828 -3.724 -11.991 1.00 0.00 H new ATOM 0 HA ASP A 63 3.427 -4.663 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.993 -2.550 -13.170 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.083 -1.716 -12.080 1.00 0.00 H new ATOM 943 N ARG A 64 4.626 -4.087 -10.037 1.00 0.00 N ATOM 944 CA ARG A 64 5.347 -3.791 -8.811 1.00 0.00 C ATOM 945 C ARG A 64 5.754 -2.316 -8.778 1.00 0.00 C ATOM 946 O ARG A 64 5.907 -1.735 -7.704 1.00 0.00 O ATOM 947 CB ARG A 64 6.599 -4.661 -8.685 1.00 0.00 C ATOM 948 CG ARG A 64 6.230 -6.108 -8.352 1.00 0.00 C ATOM 949 CD ARG A 64 7.022 -6.612 -7.144 1.00 0.00 C ATOM 950 NE ARG A 64 8.450 -6.760 -7.501 1.00 0.00 N ATOM 951 CZ ARG A 64 8.965 -7.839 -8.106 1.00 0.00 C ATOM 952 NH1 ARG A 64 8.172 -8.871 -8.426 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.274 -7.886 -8.392 1.00 0.00 N ATOM 0 H ARG A 64 5.012 -4.856 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 64 4.682 -4.007 -7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.162 -4.631 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.249 -4.259 -7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.162 -6.176 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.429 -6.745 -9.214 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.917 -5.914 -6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.621 -7.569 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 64 9.082 -5.993 -7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.176 -8.835 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.565 -9.692 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.878 -7.101 -8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.666 -8.707 -8.853 1.00 0.00 H new ATOM 967 N ASN A 65 5.918 -1.754 -9.966 1.00 0.00 N ATOM 968 CA ASN A 65 6.304 -0.358 -10.086 1.00 0.00 C ATOM 969 C ASN A 65 5.170 0.425 -10.750 1.00 0.00 C ATOM 970 O ASN A 65 5.370 1.058 -11.785 1.00 0.00 O ATOM 971 CB ASN A 65 7.555 -0.206 -10.955 1.00 0.00 C ATOM 972 CG ASN A 65 7.389 -0.938 -12.288 1.00 0.00 C ATOM 973 OD1 ASN A 65 6.663 -0.514 -13.173 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.100 -2.058 -12.382 1.00 0.00 N ATOM 0 H ASN A 65 5.791 -2.239 -10.854 1.00 0.00 H new ATOM 0 HA ASN A 65 6.510 0.022 -9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.749 0.851 -11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.421 -0.601 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.057 -2.619 -13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.688 -2.356 -11.603 1.00 0.00 H new ATOM 981 N LEU A 66 4.003 0.358 -10.125 1.00 0.00 N ATOM 982 CA LEU A 66 2.837 1.053 -10.642 1.00 0.00 C ATOM 983 C LEU A 66 2.826 2.487 -10.110 1.00 0.00 C ATOM 984 O LEU A 66 3.193 2.730 -8.961 1.00 0.00 O ATOM 985 CB LEU A 66 1.562 0.269 -10.324 1.00 0.00 C ATOM 986 CG LEU A 66 0.313 0.671 -11.112 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.053 -0.303 -12.262 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.899 0.804 -10.187 1.00 0.00 C ATOM 0 H LEU A 66 3.841 -0.167 -9.266 1.00 0.00 H new ATOM 0 HA LEU A 66 2.882 1.117 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.755 -0.789 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.348 0.378 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 66 0.489 1.651 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.840 0.006 -12.805 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.908 -0.303 -12.939 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.094 -1.306 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.773 1.090 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.088 -0.150 -9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.700 1.567 -9.434 1.00 0.00 H new ATOM 1000 N ASP A 67 2.401 3.400 -10.970 1.00 0.00 N ATOM 1001 CA ASP A 67 2.337 4.804 -10.601 1.00 0.00 C ATOM 1002 C ASP A 67 0.905 5.155 -10.191 1.00 0.00 C ATOM 1003 O ASP A 67 -0.014 4.365 -10.397 1.00 0.00 O ATOM 1004 CB ASP A 67 2.724 5.701 -11.778 1.00 0.00 C ATOM 1005 CG ASP A 67 2.619 7.204 -11.509 1.00 0.00 C ATOM 1006 OD1 ASP A 67 1.504 7.737 -11.699 1.00 0.00 O ATOM 1007 OD2 ASP A 67 3.654 7.785 -11.118 1.00 0.00 O ATOM 0 H ASP A 67 2.097 3.195 -11.922 1.00 0.00 H new ATOM 0 HA ASP A 67 3.033 4.968 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.749 5.470 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.088 5.454 -12.628 1.00 0.00 H new ATOM 1012 N ARG A 68 0.762 6.341 -9.617 1.00 0.00 N ATOM 1013 CA ARG A 68 -0.542 6.806 -9.176 1.00 0.00 C ATOM 1014 C ARG A 68 -1.097 7.840 -10.158 1.00 0.00 C ATOM 1015 O ARG A 68 -2.178 7.655 -10.715 1.00 0.00 O ATOM 1016 CB ARG A 68 -0.462 7.428 -7.781 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.580 6.357 -6.695 1.00 0.00 C ATOM 1018 CD ARG A 68 -2.039 6.156 -6.279 1.00 0.00 C ATOM 1019 NE ARG A 68 -2.689 5.173 -7.174 1.00 0.00 N ATOM 1020 CZ ARG A 68 -4.003 4.910 -7.172 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -4.814 5.555 -6.322 1.00 0.00 N ATOM 1022 NH2 ARG A 68 -4.506 4.002 -8.019 1.00 0.00 N ATOM 0 H ARG A 68 1.527 6.993 -9.447 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.207 5.943 -9.138 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.483 7.961 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.258 8.163 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.170 5.416 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.013 6.647 -5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.087 5.808 -5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.572 7.106 -6.320 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.100 4.664 -7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.431 6.246 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.814 5.355 -6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.889 3.511 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.506 3.802 -8.017 1.00 0.00 H new ATOM 1036 N GLU A 69 -0.332 8.907 -10.339 1.00 0.00 N ATOM 1037 CA GLU A 69 -0.733 9.971 -11.243 1.00 0.00 C ATOM 1038 C GLU A 69 -1.142 9.389 -12.598 1.00 0.00 C ATOM 1039 O GLU A 69 -0.528 8.440 -13.082 1.00 0.00 O ATOM 1040 CB GLU A 69 0.384 11.004 -11.405 1.00 0.00 C ATOM 1041 CG GLU A 69 0.385 11.996 -10.240 1.00 0.00 C ATOM 1042 CD GLU A 69 0.597 11.277 -8.907 1.00 0.00 C ATOM 1043 OE1 GLU A 69 1.626 10.577 -8.797 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -0.276 11.443 -8.028 1.00 0.00 O ATOM 0 H GLU A 69 0.564 9.057 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.595 10.481 -10.813 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.348 10.498 -11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.255 11.541 -12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.173 12.735 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.561 12.538 -10.218 1.00 0.00 H new ATOM 1051 N MET A 70 -2.177 9.984 -13.173 1.00 0.00 N ATOM 1052 CA MET A 70 -2.676 9.538 -14.463 1.00 0.00 C ATOM 1053 C MET A 70 -3.067 8.059 -14.417 1.00 0.00 C ATOM 1054 O MET A 70 -2.696 7.344 -13.488 1.00 0.00 O ATOM 1055 CB MET A 70 -1.598 9.748 -15.528 1.00 0.00 C ATOM 1056 CG MET A 70 -1.932 10.947 -16.418 1.00 0.00 C ATOM 1057 SD MET A 70 -0.983 10.871 -17.927 1.00 0.00 S ATOM 1058 CE MET A 70 -2.299 10.639 -19.110 1.00 0.00 C ATOM 0 H MET A 70 -2.684 10.772 -12.769 1.00 0.00 H new ATOM 0 HA MET A 70 -3.562 10.122 -14.711 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.633 9.905 -15.047 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.507 8.851 -16.140 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.997 10.953 -16.649 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.715 11.875 -15.889 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.879 10.571 -20.113 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.838 9.720 -18.879 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.985 11.484 -19.061 1.00 0.00 H new ATOM 1068 N ASN A 71 -3.811 7.645 -15.432 1.00 0.00 N ATOM 1069 CA ASN A 71 -4.256 6.265 -15.520 1.00 0.00 C ATOM 1070 C ASN A 71 -4.398 5.871 -16.992 1.00 0.00 C ATOM 1071 O ASN A 71 -4.406 6.733 -17.870 1.00 0.00 O ATOM 1072 CB ASN A 71 -5.619 6.082 -14.849 1.00 0.00 C ATOM 1073 CG ASN A 71 -6.738 6.669 -15.712 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -7.071 6.163 -16.771 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -7.299 7.761 -15.201 1.00 0.00 N ATOM 0 H ASN A 71 -4.117 8.241 -16.201 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.518 5.641 -15.016 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.805 5.022 -14.678 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.616 6.566 -13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.056 8.227 -15.701 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.972 8.133 -14.309 1.00 0.00 H new TER 1082 ASN A 71