USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -3:sc= 0.00236 USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0.0035 F(o=-1.5!,f=0.0059) USER MOD Set 2.1: A 21 THR OG1 : rot 1:sc= 0.97 USER MOD Set 2.2: A 23 HIS :FLIP no HD1:sc= -0.152 F(o=-1.6!,f=0.82) USER MOD Set 3.1: A 1 MET CE :methyl 142:sc= -1.07 (180deg=-1.19) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc=-0.00684 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -84:sc= 0.0996 USER MOD Single : A 4 SER OG : rot 180:sc=-0.000602 USER MOD Single : A 6 CYS SG : rot 160:sc= -0.158 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -1.28 (180deg=-2.04!) USER MOD Single : A 20 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.65) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.2) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.258 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.67 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 1 K(o=1,f=-0.6) USER MOD Single : A 49 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.0136 (180deg=-0.128) USER MOD Single : A 53 MET CE :methyl -124:sc=-0.000612 (180deg=-2.25!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0902 (180deg=-0.484) USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.947 USER MOD Single : A 68 SER OG : rot 69:sc= 0.0993 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 72:sc= 0.238 USER MOD Single : A 91 ASN : amide:sc= -1.77! C(o=-1.8!,f=-15!) USER MOD Single : A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 HIS :FLIP no HD1:sc= 0.0885 F(o=-1,f=0.088) USER MOD Single : A 102 HIS : no HD1:sc= 0.408 K(o=0.41,f=-3!) USER MOD Single : A 103 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.9!) USER MOD Single : A 104 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.783 2.517 4.557 1.00 0.00 N ATOM 2 CA MET A 1 -14.713 2.698 3.551 1.00 0.00 C ATOM 3 C MET A 1 -13.651 1.625 3.718 1.00 0.00 C ATOM 4 O MET A 1 -13.066 1.477 4.791 1.00 0.00 O ATOM 5 CB MET A 1 -14.060 4.076 3.681 1.00 0.00 C ATOM 6 CG MET A 1 -12.979 4.324 2.638 1.00 0.00 C ATOM 7 SD MET A 1 -13.652 4.568 0.983 1.00 0.00 S ATOM 8 CE MET A 1 -14.713 5.989 1.246 1.00 0.00 C ATOM 0 H1 MET A 1 -16.504 3.256 4.434 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.221 1.582 4.433 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.377 2.585 5.512 1.00 0.00 H new ATOM 0 HA MET A 1 -15.168 2.617 2.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.827 4.845 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.626 4.174 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.399 5.202 2.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.291 3.478 2.625 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.660 6.648 0.379 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.741 5.655 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.384 6.530 2.133 1.00 0.00 H new ATOM 20 N THR A 2 -13.398 0.887 2.657 1.00 0.00 N ATOM 21 CA THR A 2 -12.409 -0.172 2.690 1.00 0.00 C ATOM 22 C THR A 2 -11.074 0.340 2.167 1.00 0.00 C ATOM 23 O THR A 2 -11.007 1.422 1.573 1.00 0.00 O ATOM 24 CB THR A 2 -12.863 -1.379 1.851 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.132 -0.962 0.510 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.115 -2.006 2.441 1.00 0.00 C ATOM 0 H THR A 2 -13.865 1.001 1.758 1.00 0.00 H new ATOM 0 HA THR A 2 -12.295 -0.493 3.725 1.00 0.00 H new ATOM 0 HB THR A 2 -12.063 -2.119 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.041 -0.600 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.418 -2.857 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.909 -2.342 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.918 -1.269 2.458 1.00 0.00 H new ATOM 34 N PHE A 3 -10.018 -0.427 2.397 1.00 0.00 N ATOM 35 CA PHE A 3 -8.692 -0.068 1.914 1.00 0.00 C ATOM 36 C PHE A 3 -8.694 0.038 0.394 1.00 0.00 C ATOM 37 O PHE A 3 -8.094 0.951 -0.170 1.00 0.00 O ATOM 38 CB PHE A 3 -7.657 -1.101 2.374 1.00 0.00 C ATOM 39 CG PHE A 3 -6.255 -0.805 1.914 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.514 0.201 2.510 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.679 -1.539 0.890 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.225 0.473 2.091 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.392 -1.272 0.467 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.663 -0.265 1.068 1.00 0.00 C ATOM 0 H PHE A 3 -10.054 -1.304 2.916 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.422 0.902 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.669 -1.153 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.950 -2.084 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.948 0.780 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.243 -2.329 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.658 1.262 2.563 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -3.956 -1.851 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.656 -0.055 0.739 1.00 0.00 H new ATOM 54 N SER A 4 -9.393 -0.883 -0.259 1.00 0.00 N ATOM 55 CA SER A 4 -9.473 -0.893 -1.714 1.00 0.00 C ATOM 56 C SER A 4 -10.164 0.365 -2.237 1.00 0.00 C ATOM 57 O SER A 4 -9.706 0.977 -3.201 1.00 0.00 O ATOM 58 CB SER A 4 -10.211 -2.144 -2.192 1.00 0.00 C ATOM 59 OG SER A 4 -9.562 -3.316 -1.731 1.00 0.00 O ATOM 0 H SER A 4 -9.913 -1.633 0.197 1.00 0.00 H new ATOM 0 HA SER A 4 -8.458 -0.907 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.239 -2.126 -1.831 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.256 -2.152 -3.281 1.00 0.00 H new ATOM 0 HG SER A 4 -10.050 -4.105 -2.046 1.00 0.00 H new ATOM 65 N GLU A 5 -11.255 0.756 -1.590 1.00 0.00 N ATOM 66 CA GLU A 5 -11.996 1.944 -1.988 1.00 0.00 C ATOM 67 C GLU A 5 -11.163 3.202 -1.785 1.00 0.00 C ATOM 68 O GLU A 5 -11.065 4.045 -2.677 1.00 0.00 O ATOM 69 CB GLU A 5 -13.277 2.053 -1.176 1.00 0.00 C ATOM 70 CG GLU A 5 -14.301 0.984 -1.491 1.00 0.00 C ATOM 71 CD GLU A 5 -15.498 1.050 -0.571 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.460 1.770 -0.894 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.473 0.387 0.489 1.00 0.00 O ATOM 0 H GLU A 5 -11.646 0.266 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.237 1.852 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.028 2.002 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.724 3.032 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.632 1.094 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.835 0.002 -1.408 1.00 0.00 H new ATOM 80 N CYS A 6 -10.563 3.314 -0.607 1.00 0.00 N ATOM 81 CA CYS A 6 -9.756 4.477 -0.256 1.00 0.00 C ATOM 82 C CYS A 6 -8.565 4.593 -1.195 1.00 0.00 C ATOM 83 O CYS A 6 -8.230 5.682 -1.671 1.00 0.00 O ATOM 84 CB CYS A 6 -9.276 4.359 1.190 1.00 0.00 C ATOM 85 SG CYS A 6 -8.587 5.886 1.875 1.00 0.00 S ATOM 0 H CYS A 6 -10.620 2.608 0.127 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.367 5.374 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.112 4.040 1.813 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.520 3.576 1.246 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.606 5.826 3.173 1.00 0.00 H new ATOM 91 N ALA A 7 -7.935 3.458 -1.455 1.00 0.00 N ATOM 92 CA ALA A 7 -6.832 3.390 -2.407 1.00 0.00 C ATOM 93 C ALA A 7 -7.282 3.863 -3.785 1.00 0.00 C ATOM 94 O ALA A 7 -6.600 4.652 -4.436 1.00 0.00 O ATOM 95 CB ALA A 7 -6.281 1.972 -2.485 1.00 0.00 C ATOM 0 H ALA A 7 -8.169 2.566 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.038 4.051 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.459 1.940 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.920 1.667 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.070 1.292 -2.808 1.00 0.00 H new ATOM 101 N ALA A 8 -8.448 3.392 -4.210 1.00 0.00 N ATOM 102 CA ALA A 8 -9.005 3.769 -5.502 1.00 0.00 C ATOM 103 C ALA A 8 -9.288 5.267 -5.561 1.00 0.00 C ATOM 104 O ALA A 8 -9.102 5.899 -6.597 1.00 0.00 O ATOM 105 CB ALA A 8 -10.272 2.977 -5.785 1.00 0.00 C ATOM 0 H ALA A 8 -9.028 2.745 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.268 3.535 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.676 3.270 -6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.041 1.912 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.009 3.180 -5.008 1.00 0.00 H new ATOM 111 N LEU A 9 -9.733 5.835 -4.445 1.00 0.00 N ATOM 112 CA LEU A 9 -9.986 7.269 -4.371 1.00 0.00 C ATOM 113 C LEU A 9 -8.688 8.050 -4.550 1.00 0.00 C ATOM 114 O LEU A 9 -8.649 9.058 -5.254 1.00 0.00 O ATOM 115 CB LEU A 9 -10.641 7.636 -3.037 1.00 0.00 C ATOM 116 CG LEU A 9 -12.021 7.023 -2.790 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.566 7.468 -1.444 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.986 7.401 -3.905 1.00 0.00 C ATOM 0 H LEU A 9 -9.925 5.326 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.670 7.535 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.977 7.329 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.730 8.721 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.916 5.938 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.548 7.023 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.889 7.146 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.653 8.554 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.961 6.955 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.086 8.486 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.603 7.034 -4.857 1.00 0.00 H new ATOM 130 N TYR A 10 -7.622 7.562 -3.921 1.00 0.00 N ATOM 131 CA TYR A 10 -6.300 8.165 -4.057 1.00 0.00 C ATOM 132 C TYR A 10 -5.837 8.081 -5.507 1.00 0.00 C ATOM 133 O TYR A 10 -5.245 9.020 -6.047 1.00 0.00 O ATOM 134 CB TYR A 10 -5.301 7.449 -3.141 1.00 0.00 C ATOM 135 CG TYR A 10 -3.913 8.053 -3.143 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.681 9.312 -2.606 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.836 7.364 -3.688 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.416 9.869 -2.608 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.568 7.912 -3.695 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.362 9.165 -3.153 1.00 0.00 C ATOM 141 OH TYR A 10 -0.101 9.720 -3.167 1.00 0.00 O ATOM 0 H TYR A 10 -7.649 6.746 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.356 9.214 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.688 7.459 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.231 6.405 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.504 9.866 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.993 6.384 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.254 10.850 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.742 7.363 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 10 0.527 9.094 -3.585 1.00 0.00 H new ATOM 151 N ILE A 11 -6.121 6.943 -6.122 1.00 0.00 N ATOM 152 CA ILE A 11 -5.810 6.714 -7.527 1.00 0.00 C ATOM 153 C ILE A 11 -6.598 7.669 -8.424 1.00 0.00 C ATOM 154 O ILE A 11 -6.029 8.326 -9.294 1.00 0.00 O ATOM 155 CB ILE A 11 -6.115 5.252 -7.922 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.173 4.307 -7.171 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.000 5.046 -9.429 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.543 2.845 -7.295 1.00 0.00 C ATOM 0 H ILE A 11 -6.573 6.152 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.746 6.903 -7.667 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.144 5.027 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.159 4.448 -7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.165 4.581 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.221 4.007 -9.672 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.709 5.697 -9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.988 5.287 -9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.829 2.240 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.544 2.688 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.523 2.552 -8.345 1.00 0.00 H new ATOM 170 N LYS A 12 -7.902 7.757 -8.193 1.00 0.00 N ATOM 171 CA LYS A 12 -8.765 8.647 -8.967 1.00 0.00 C ATOM 172 C LYS A 12 -8.346 10.104 -8.803 1.00 0.00 C ATOM 173 O LYS A 12 -8.478 10.905 -9.725 1.00 0.00 O ATOM 174 CB LYS A 12 -10.232 8.468 -8.576 1.00 0.00 C ATOM 175 CG LYS A 12 -10.821 7.151 -9.054 1.00 0.00 C ATOM 176 CD LYS A 12 -12.326 7.111 -8.860 1.00 0.00 C ATOM 177 CE LYS A 12 -12.932 5.867 -9.487 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.416 5.902 -9.458 1.00 0.00 N ATOM 0 H LYS A 12 -8.388 7.222 -7.474 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.654 8.377 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.322 8.527 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.815 9.291 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.585 7.007 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.361 6.327 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.558 7.134 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.775 8.000 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.591 5.777 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.579 4.983 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.792 5.036 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.743 5.963 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.754 6.731 -9.987 1.00 0.00 H new ATOM 192 N ALA A 13 -7.841 10.447 -7.630 1.00 0.00 N ATOM 193 CA ALA A 13 -7.359 11.799 -7.374 1.00 0.00 C ATOM 194 C ALA A 13 -6.087 12.105 -8.170 1.00 0.00 C ATOM 195 O ALA A 13 -5.648 13.254 -8.229 1.00 0.00 O ATOM 196 CB ALA A 13 -7.108 11.996 -5.886 1.00 0.00 C ATOM 0 H ALA A 13 -7.753 9.810 -6.838 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.132 12.494 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.748 13.010 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.036 11.839 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.359 11.281 -5.545 1.00 0.00 H new ATOM 202 N HIS A 14 -5.497 11.080 -8.784 1.00 0.00 N ATOM 203 CA HIS A 14 -4.245 11.252 -9.517 1.00 0.00 C ATOM 204 C HIS A 14 -4.319 10.670 -10.929 1.00 0.00 C ATOM 205 O HIS A 14 -3.327 10.682 -11.656 1.00 0.00 O ATOM 206 CB HIS A 14 -3.085 10.606 -8.752 1.00 0.00 C ATOM 207 CG HIS A 14 -2.724 11.323 -7.491 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.295 11.039 -6.268 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.844 12.327 -7.268 1.00 0.00 C ATOM 210 CE1 HIS A 14 -2.781 11.838 -5.351 1.00 0.00 C ATOM 211 NE2 HIS A 14 -1.899 12.628 -5.932 1.00 0.00 N ATOM 0 H HIS A 14 -5.863 10.128 -8.788 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.072 12.324 -9.607 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.349 9.576 -8.511 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.210 10.567 -9.401 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.003 10.324 -6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.215 12.803 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.039 11.844 -4.302 1.00 0.00 H new ATOM 220 N ARG A 15 -5.492 10.188 -11.332 1.00 0.00 N ATOM 221 CA ARG A 15 -5.658 9.602 -12.666 1.00 0.00 C ATOM 222 C ARG A 15 -5.471 10.660 -13.750 1.00 0.00 C ATOM 223 O ARG A 15 -5.205 10.341 -14.909 1.00 0.00 O ATOM 224 CB ARG A 15 -7.032 8.941 -12.806 1.00 0.00 C ATOM 225 CG ARG A 15 -8.195 9.857 -12.472 1.00 0.00 C ATOM 226 CD ARG A 15 -9.533 9.188 -12.744 1.00 0.00 C ATOM 227 NE ARG A 15 -9.855 9.185 -14.168 1.00 0.00 N ATOM 228 CZ ARG A 15 -10.470 8.185 -14.801 1.00 0.00 C ATOM 229 NH1 ARG A 15 -10.833 7.089 -14.146 1.00 0.00 N ATOM 230 NH2 ARG A 15 -10.720 8.285 -16.098 1.00 0.00 N ATOM 0 H ARG A 15 -6.338 10.190 -10.762 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.892 8.837 -12.791 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.148 8.581 -13.828 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.072 8.068 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.140 10.148 -11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.119 10.771 -13.060 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.509 8.163 -12.374 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.318 9.707 -12.194 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.592 10.004 -14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.642 7.005 -13.148 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.303 6.331 -14.641 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.442 9.124 -16.608 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.190 7.523 -16.587 1.00 0.00 H new ATOM 244 N SER A 16 -5.621 11.913 -13.357 1.00 0.00 N ATOM 245 CA SER A 16 -5.380 13.037 -14.237 1.00 0.00 C ATOM 246 C SER A 16 -3.887 13.172 -14.538 1.00 0.00 C ATOM 247 O SER A 16 -3.489 13.519 -15.652 1.00 0.00 O ATOM 248 CB SER A 16 -5.902 14.297 -13.559 1.00 0.00 C ATOM 249 OG SER A 16 -7.063 14.003 -12.797 1.00 0.00 O ATOM 0 H SER A 16 -5.914 12.177 -12.416 1.00 0.00 H new ATOM 0 HA SER A 16 -5.897 12.883 -15.184 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.131 14.716 -12.912 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.133 15.053 -14.310 1.00 0.00 H new ATOM 0 HG SER A 16 -7.387 14.821 -12.365 1.00 0.00 H new ATOM 255 N SER A 17 -3.068 12.875 -13.538 1.00 0.00 N ATOM 256 CA SER A 17 -1.625 12.962 -13.676 1.00 0.00 C ATOM 257 C SER A 17 -1.080 11.694 -14.323 1.00 0.00 C ATOM 258 O SER A 17 -0.087 11.726 -15.054 1.00 0.00 O ATOM 259 CB SER A 17 -0.977 13.184 -12.305 1.00 0.00 C ATOM 260 OG SER A 17 0.411 13.431 -12.431 1.00 0.00 O ATOM 0 H SER A 17 -3.384 12.570 -12.617 1.00 0.00 H new ATOM 0 HA SER A 17 -1.383 13.810 -14.317 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.455 14.026 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.138 12.308 -11.677 1.00 0.00 H new ATOM 0 HG SER A 17 0.800 13.571 -11.543 1.00 0.00 H new ATOM 266 N TRP A 18 -1.756 10.580 -14.074 1.00 0.00 N ATOM 267 CA TRP A 18 -1.352 9.298 -14.632 1.00 0.00 C ATOM 268 C TRP A 18 -1.985 9.079 -16.003 1.00 0.00 C ATOM 269 O TRP A 18 -2.080 7.957 -16.484 1.00 0.00 O ATOM 270 CB TRP A 18 -1.720 8.160 -13.680 1.00 0.00 C ATOM 271 CG TRP A 18 -1.027 8.255 -12.354 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.202 8.796 -12.109 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.514 7.781 -11.097 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.498 8.703 -10.771 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.536 8.079 -10.130 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.683 7.136 -10.694 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.695 7.756 -8.787 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.838 6.814 -9.362 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.849 7.125 -8.421 1.00 0.00 C ATOM 0 H TRP A 18 -2.589 10.540 -13.487 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.269 9.306 -14.757 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.798 8.162 -13.521 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.469 7.208 -14.147 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.847 9.233 -12.857 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.351 9.044 -10.328 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.453 6.893 -11.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.067 7.996 -8.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.739 6.313 -9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.002 6.860 -7.385 1.00 0.00 H new ATOM 290 N LYS A 19 -2.383 10.169 -16.634 1.00 0.00 N ATOM 291 CA LYS A 19 -2.886 10.156 -17.988 1.00 0.00 C ATOM 292 C LYS A 19 -1.765 10.650 -18.842 1.00 0.00 C ATOM 293 O LYS A 19 -1.151 11.671 -18.526 1.00 0.00 O ATOM 294 CB LYS A 19 -4.124 11.061 -18.115 1.00 0.00 C ATOM 295 CG LYS A 19 -4.735 11.103 -19.511 1.00 0.00 C ATOM 296 CD LYS A 19 -5.590 9.877 -19.806 1.00 0.00 C ATOM 297 CE LYS A 19 -7.021 10.038 -19.304 1.00 0.00 C ATOM 298 NZ LYS A 19 -7.108 10.095 -17.820 1.00 0.00 N ATOM 0 H LYS A 19 -2.364 11.097 -16.212 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.202 9.158 -18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.882 10.719 -17.410 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.850 12.074 -17.821 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.345 12.001 -19.611 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.938 11.174 -20.252 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.602 9.695 -20.881 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.139 9.001 -19.339 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.448 10.949 -19.724 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.624 9.206 -19.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.068 9.832 -17.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.422 9.432 -17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.895 11.060 -17.497 1.00 0.00 H new ATOM 312 N ASN A 20 -1.459 9.944 -19.904 1.00 0.00 N ATOM 313 CA ASN A 20 -2.299 8.880 -20.469 1.00 0.00 C ATOM 314 C ASN A 20 -1.816 7.488 -20.034 1.00 0.00 C ATOM 315 O ASN A 20 -2.405 6.470 -20.402 1.00 0.00 O ATOM 316 CB ASN A 20 -2.258 9.003 -22.004 1.00 0.00 C ATOM 317 CG ASN A 20 -3.153 8.013 -22.734 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.736 6.900 -23.056 1.00 0.00 O ATOM 319 ND2 ASN A 20 -4.372 8.422 -23.039 1.00 0.00 N ATOM 0 H ASN A 20 -0.594 10.088 -20.425 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.319 8.994 -20.102 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.551 10.015 -22.284 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.231 8.864 -22.341 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.001 7.809 -23.557 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.684 9.351 -22.756 1.00 0.00 H new ATOM 326 N THR A 21 -0.761 7.461 -19.231 1.00 0.00 N ATOM 327 CA THR A 21 -0.099 6.215 -18.842 1.00 0.00 C ATOM 328 C THR A 21 -1.043 5.210 -18.169 1.00 0.00 C ATOM 329 O THR A 21 -2.117 5.557 -17.685 1.00 0.00 O ATOM 330 CB THR A 21 1.069 6.504 -17.884 1.00 0.00 C ATOM 331 OG1 THR A 21 0.585 7.193 -16.721 1.00 0.00 O ATOM 332 CG2 THR A 21 2.141 7.337 -18.570 1.00 0.00 C ATOM 0 H THR A 21 -0.338 8.298 -18.830 1.00 0.00 H new ATOM 0 HA THR A 21 0.260 5.767 -19.769 1.00 0.00 H new ATOM 0 HB THR A 21 1.512 5.554 -17.585 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.386 7.306 -16.788 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.956 7.528 -17.872 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.524 6.796 -19.435 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.712 8.285 -18.895 1.00 0.00 H new ATOM 340 N LYS A 22 -0.611 3.958 -18.132 1.00 0.00 N ATOM 341 CA LYS A 22 -1.357 2.893 -17.469 1.00 0.00 C ATOM 342 C LYS A 22 -1.087 2.857 -15.964 1.00 0.00 C ATOM 343 O LYS A 22 -1.496 1.919 -15.281 1.00 0.00 O ATOM 344 CB LYS A 22 -0.989 1.543 -18.088 1.00 0.00 C ATOM 345 CG LYS A 22 -1.846 1.158 -19.281 1.00 0.00 C ATOM 346 CD LYS A 22 -3.206 0.653 -18.827 1.00 0.00 C ATOM 347 CE LYS A 22 -4.052 0.174 -19.996 1.00 0.00 C ATOM 348 NZ LYS A 22 -5.242 -0.587 -19.536 1.00 0.00 N ATOM 0 H LYS A 22 0.263 3.650 -18.558 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.419 3.095 -17.612 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.056 1.569 -18.397 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.077 0.769 -17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.973 2.020 -19.937 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.342 0.386 -19.863 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.072 -0.163 -18.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.732 1.450 -18.301 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.374 1.031 -20.588 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.448 -0.455 -20.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.795 -0.898 -20.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.934 -1.418 -18.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.831 0.022 -18.933 1.00 0.00 H new ATOM 362 N HIS A 23 -0.427 3.889 -15.444 1.00 0.00 N ATOM 363 CA HIS A 23 -0.062 3.933 -14.027 1.00 0.00 C ATOM 364 C HIS A 23 -1.292 3.836 -13.134 1.00 0.00 C ATOM 365 O HIS A 23 -1.285 3.105 -12.146 1.00 0.00 O ATOM 366 CB HIS A 23 0.724 5.205 -13.698 1.00 0.00 C ATOM 367 CG HIS A 23 2.164 5.150 -14.118 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.729 5.036 -15.341 1.00 0.00 N flip ATOM 369 CD2 HIS A 23 3.208 5.209 -13.222 1.00 0.00 C flip ATOM 370 CE1 HIS A 23 4.090 5.023 -15.165 1.00 0.00 C flip ATOM 371 NE2 HIS A 23 4.351 5.131 -13.878 1.00 0.00 N flip ATOM 0 H HIS A 23 -0.134 4.706 -15.980 1.00 0.00 H new ATOM 0 HA HIS A 23 0.574 3.070 -13.832 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.245 6.054 -14.185 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.675 5.385 -12.624 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.108 5.304 -12.151 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.825 4.938 -15.951 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.281 5.151 -13.459 1.00 0.00 H new ATOM 380 N ALA A 24 -2.348 4.551 -13.498 1.00 0.00 N ATOM 381 CA ALA A 24 -3.586 4.539 -12.722 1.00 0.00 C ATOM 382 C ALA A 24 -4.121 3.117 -12.579 1.00 0.00 C ATOM 383 O ALA A 24 -4.474 2.681 -11.483 1.00 0.00 O ATOM 384 CB ALA A 24 -4.626 5.436 -13.376 1.00 0.00 C ATOM 0 H ALA A 24 -2.375 5.147 -14.325 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.371 4.923 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.544 5.418 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.247 6.457 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.834 5.077 -14.384 1.00 0.00 H new ATOM 390 N ASP A 25 -4.149 2.389 -13.688 1.00 0.00 N ATOM 391 CA ASP A 25 -4.635 1.012 -13.686 1.00 0.00 C ATOM 392 C ASP A 25 -3.708 0.113 -12.884 1.00 0.00 C ATOM 393 O ASP A 25 -4.153 -0.659 -12.041 1.00 0.00 O ATOM 394 CB ASP A 25 -4.750 0.475 -15.113 1.00 0.00 C ATOM 395 CG ASP A 25 -5.290 -0.942 -15.156 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.529 -1.114 -15.161 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.481 -1.890 -15.187 1.00 0.00 O ATOM 0 H ASP A 25 -3.842 2.727 -14.600 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.622 1.012 -13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.403 1.128 -15.692 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.770 0.502 -15.589 1.00 0.00 H new ATOM 402 N GLN A 26 -2.414 0.231 -13.152 1.00 0.00 N ATOM 403 CA GLN A 26 -1.410 -0.604 -12.513 1.00 0.00 C ATOM 404 C GLN A 26 -1.356 -0.382 -11.002 1.00 0.00 C ATOM 405 O GLN A 26 -1.028 -1.298 -10.243 1.00 0.00 O ATOM 406 CB GLN A 26 -0.051 -0.347 -13.153 1.00 0.00 C ATOM 407 CG GLN A 26 0.018 -0.783 -14.610 1.00 0.00 C ATOM 408 CD GLN A 26 -0.289 -2.260 -14.806 1.00 0.00 C ATOM 409 OE1 GLN A 26 0.606 -3.104 -14.747 1.00 0.00 O ATOM 410 NE2 GLN A 26 -1.553 -2.583 -15.048 1.00 0.00 N ATOM 0 H GLN A 26 -2.034 0.906 -13.816 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.688 -1.647 -12.665 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.179 0.716 -13.087 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.716 -0.874 -12.586 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.687 -0.191 -15.194 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.013 -0.570 -15.000 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.266 -1.855 -15.089 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.811 -3.559 -15.193 1.00 0.00 H new ATOM 419 N TRP A 27 -1.669 0.829 -10.561 1.00 0.00 N ATOM 420 CA TRP A 27 -1.795 1.097 -9.135 1.00 0.00 C ATOM 421 C TRP A 27 -2.901 0.238 -8.533 1.00 0.00 C ATOM 422 O TRP A 27 -2.704 -0.409 -7.503 1.00 0.00 O ATOM 423 CB TRP A 27 -2.065 2.580 -8.874 1.00 0.00 C ATOM 424 CG TRP A 27 -0.818 3.383 -8.657 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.139 3.687 -9.583 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.395 3.986 -7.429 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.133 4.437 -9.004 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.827 4.636 -7.683 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.930 4.038 -6.138 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.520 5.332 -6.695 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.243 4.729 -5.161 1.00 0.00 C ATOM 432 CH2 TRP A 27 0.970 5.367 -5.443 1.00 0.00 C ATOM 0 H TRP A 27 -1.839 1.634 -11.164 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.850 0.840 -8.656 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.614 2.996 -9.719 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.707 2.676 -7.999 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.117 3.382 -10.619 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.964 4.789 -9.480 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.864 3.546 -5.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.456 5.825 -6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.649 4.778 -4.161 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.483 5.899 -4.655 1.00 0.00 H new ATOM 443 N THR A 28 -4.049 0.211 -9.202 1.00 0.00 N ATOM 444 CA THR A 28 -5.174 -0.607 -8.770 1.00 0.00 C ATOM 445 C THR A 28 -4.838 -2.090 -8.926 1.00 0.00 C ATOM 446 O THR A 28 -5.128 -2.903 -8.051 1.00 0.00 O ATOM 447 CB THR A 28 -6.434 -0.292 -9.606 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.577 1.125 -9.771 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.679 -0.853 -8.939 1.00 0.00 C ATOM 0 H THR A 28 -4.224 0.750 -10.050 1.00 0.00 H new ATOM 0 HA THR A 28 -5.371 -0.379 -7.722 1.00 0.00 H new ATOM 0 HB THR A 28 -6.317 -0.761 -10.583 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.378 1.313 -10.304 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.554 -0.619 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.584 -1.934 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.794 -0.409 -7.950 1.00 0.00 H new ATOM 457 N ASN A 29 -4.192 -2.407 -10.042 1.00 0.00 N ATOM 458 CA ASN A 29 -3.896 -3.782 -10.442 1.00 0.00 C ATOM 459 C ASN A 29 -3.141 -4.543 -9.352 1.00 0.00 C ATOM 460 O ASN A 29 -3.535 -5.645 -8.964 1.00 0.00 O ATOM 461 CB ASN A 29 -3.058 -3.757 -11.723 1.00 0.00 C ATOM 462 CG ASN A 29 -3.010 -5.094 -12.433 1.00 0.00 C ATOM 463 OD1 ASN A 29 -2.181 -5.952 -12.123 1.00 0.00 O ATOM 464 ND2 ASN A 29 -3.888 -5.269 -13.405 1.00 0.00 N ATOM 0 H ASN A 29 -3.854 -1.709 -10.705 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.841 -4.299 -10.611 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.466 -3.008 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.042 -3.446 -11.479 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.897 -6.142 -13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.556 -4.531 -13.628 1.00 0.00 H new ATOM 471 N THR A 30 -2.071 -3.944 -8.849 1.00 0.00 N ATOM 472 CA THR A 30 -1.236 -4.586 -7.841 1.00 0.00 C ATOM 473 C THR A 30 -1.972 -4.724 -6.506 1.00 0.00 C ATOM 474 O THR A 30 -1.925 -5.776 -5.865 1.00 0.00 O ATOM 475 CB THR A 30 0.068 -3.796 -7.636 1.00 0.00 C ATOM 476 OG1 THR A 30 0.653 -3.498 -8.911 1.00 0.00 O ATOM 477 CG2 THR A 30 1.067 -4.580 -6.798 1.00 0.00 C ATOM 0 H THR A 30 -1.759 -3.012 -9.123 1.00 0.00 H new ATOM 0 HA THR A 30 -0.998 -5.586 -8.204 1.00 0.00 H new ATOM 0 HB THR A 30 -0.175 -2.875 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.149 -2.776 -9.341 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.977 -3.993 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.634 -4.792 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.306 -5.517 -7.300 1.00 0.00 H new ATOM 485 N ILE A 31 -2.675 -3.667 -6.106 1.00 0.00 N ATOM 486 CA ILE A 31 -3.397 -3.665 -4.838 1.00 0.00 C ATOM 487 C ILE A 31 -4.542 -4.672 -4.873 1.00 0.00 C ATOM 488 O ILE A 31 -4.768 -5.408 -3.912 1.00 0.00 O ATOM 489 CB ILE A 31 -3.954 -2.261 -4.504 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.808 -1.253 -4.372 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.783 -2.296 -3.226 1.00 0.00 C ATOM 492 CD1 ILE A 31 -3.269 0.167 -4.119 1.00 0.00 C ATOM 0 H ILE A 31 -2.759 -2.803 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.688 -3.948 -4.060 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.604 -1.947 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.155 -1.564 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.211 -1.274 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.164 -1.297 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.619 -2.984 -3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.160 -2.632 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.402 0.822 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.897 0.498 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.841 0.204 -3.192 1.00 0.00 H new ATOM 504 N LYS A 32 -5.236 -4.712 -6.001 1.00 0.00 N ATOM 505 CA LYS A 32 -6.345 -5.636 -6.207 1.00 0.00 C ATOM 506 C LYS A 32 -5.871 -7.076 -6.046 1.00 0.00 C ATOM 507 O LYS A 32 -6.578 -7.918 -5.491 1.00 0.00 O ATOM 508 CB LYS A 32 -6.935 -5.418 -7.613 1.00 0.00 C ATOM 509 CG LYS A 32 -8.191 -6.230 -7.925 1.00 0.00 C ATOM 510 CD LYS A 32 -7.852 -7.635 -8.398 1.00 0.00 C ATOM 511 CE LYS A 32 -9.102 -8.444 -8.696 1.00 0.00 C ATOM 512 NZ LYS A 32 -8.780 -9.843 -9.081 1.00 0.00 N ATOM 0 H LYS A 32 -5.048 -4.106 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.116 -5.446 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.167 -4.360 -7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.171 -5.662 -8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.817 -6.287 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.773 -5.719 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.233 -7.578 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.263 -8.144 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.749 -8.449 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.660 -7.966 -9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.661 -10.361 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.184 -9.840 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.270 -10.308 -8.303 1.00 0.00 H new ATOM 526 N THR A 33 -4.664 -7.345 -6.513 1.00 0.00 N ATOM 527 CA THR A 33 -4.160 -8.705 -6.539 1.00 0.00 C ATOM 528 C THR A 33 -3.646 -9.148 -5.168 1.00 0.00 C ATOM 529 O THR A 33 -4.099 -10.155 -4.625 1.00 0.00 O ATOM 530 CB THR A 33 -3.023 -8.832 -7.575 1.00 0.00 C ATOM 531 OG1 THR A 33 -3.474 -8.361 -8.854 1.00 0.00 O ATOM 532 CG2 THR A 33 -2.551 -10.274 -7.700 1.00 0.00 C ATOM 0 H THR A 33 -4.019 -6.644 -6.877 1.00 0.00 H new ATOM 0 HA THR A 33 -4.991 -9.353 -6.817 1.00 0.00 H new ATOM 0 HB THR A 33 -2.185 -8.225 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.546 -7.384 -8.836 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.750 -10.332 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.182 -10.621 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.383 -10.903 -8.018 1.00 0.00 H new ATOM 540 N TYR A 34 -2.717 -8.385 -4.605 1.00 0.00 N ATOM 541 CA TYR A 34 -2.082 -8.768 -3.346 1.00 0.00 C ATOM 542 C TYR A 34 -2.917 -8.400 -2.121 1.00 0.00 C ATOM 543 O TYR A 34 -3.153 -9.232 -1.246 1.00 0.00 O ATOM 544 CB TYR A 34 -0.687 -8.151 -3.256 1.00 0.00 C ATOM 545 CG TYR A 34 0.249 -8.658 -4.332 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.822 -9.919 -4.239 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.545 -7.884 -5.447 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.665 -10.395 -5.224 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.385 -8.356 -6.438 1.00 0.00 C ATOM 550 CZ TYR A 34 1.942 -9.610 -6.321 1.00 0.00 C ATOM 551 OH TYR A 34 2.772 -10.086 -7.310 1.00 0.00 O ATOM 0 H TYR A 34 -2.387 -7.503 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.000 -9.855 -3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.769 -7.067 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.260 -8.370 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.605 -10.539 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.112 -6.899 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.105 -11.377 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.604 -7.744 -7.301 1.00 0.00 H new ATOM 0 HH TYR A 34 3.118 -10.966 -7.051 1.00 0.00 H new ATOM 561 N CYS A 35 -3.367 -7.157 -2.065 1.00 0.00 N ATOM 562 CA CYS A 35 -4.021 -6.634 -0.870 1.00 0.00 C ATOM 563 C CYS A 35 -5.507 -6.974 -0.852 1.00 0.00 C ATOM 564 O CYS A 35 -6.082 -7.193 0.214 1.00 0.00 O ATOM 565 CB CYS A 35 -3.828 -5.118 -0.789 1.00 0.00 C ATOM 566 SG CYS A 35 -2.098 -4.593 -0.848 1.00 0.00 S ATOM 0 H CYS A 35 -3.293 -6.489 -2.832 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.560 -7.105 -0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.368 -4.649 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.276 -4.754 0.135 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.035 -3.297 -0.776 1.00 0.00 H new ATOM 572 N GLY A 36 -6.102 -7.038 -2.039 1.00 0.00 N ATOM 573 CA GLY A 36 -7.536 -7.266 -2.186 1.00 0.00 C ATOM 574 C GLY A 36 -8.100 -8.365 -1.292 1.00 0.00 C ATOM 575 O GLY A 36 -8.937 -8.087 -0.432 1.00 0.00 O ATOM 0 H GLY A 36 -5.606 -6.934 -2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.062 -6.336 -1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.746 -7.518 -3.225 1.00 0.00 H new ATOM 579 N PRO A 37 -7.672 -9.626 -1.475 1.00 0.00 N ATOM 580 CA PRO A 37 -8.220 -10.772 -0.732 1.00 0.00 C ATOM 581 C PRO A 37 -7.984 -10.700 0.779 1.00 0.00 C ATOM 582 O PRO A 37 -8.656 -11.389 1.547 1.00 0.00 O ATOM 583 CB PRO A 37 -7.477 -11.977 -1.318 1.00 0.00 C ATOM 584 CG PRO A 37 -6.925 -11.503 -2.617 1.00 0.00 C ATOM 585 CD PRO A 37 -6.636 -10.045 -2.430 1.00 0.00 C ATOM 0 HA PRO A 37 -9.304 -10.814 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.682 -12.312 -0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.150 -12.823 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.020 -12.050 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.639 -11.660 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.633 -9.879 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.706 -9.495 -3.369 1.00 0.00 H new ATOM 593 N VAL A 38 -7.040 -9.872 1.210 1.00 0.00 N ATOM 594 CA VAL A 38 -6.687 -9.810 2.624 1.00 0.00 C ATOM 595 C VAL A 38 -7.176 -8.514 3.272 1.00 0.00 C ATOM 596 O VAL A 38 -8.192 -8.504 3.963 1.00 0.00 O ATOM 597 CB VAL A 38 -5.166 -9.945 2.842 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.838 -10.025 4.330 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.623 -11.164 2.117 1.00 0.00 C ATOM 0 H VAL A 38 -6.510 -9.241 0.609 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.186 -10.654 3.100 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.687 -9.057 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.760 -10.120 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.186 -9.120 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.334 -10.892 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.549 -11.239 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.113 -12.061 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.817 -11.068 1.049 1.00 0.00 H new ATOM 609 N ILE A 39 -6.463 -7.419 3.030 1.00 0.00 N ATOM 610 CA ILE A 39 -6.772 -6.148 3.686 1.00 0.00 C ATOM 611 C ILE A 39 -7.669 -5.277 2.820 1.00 0.00 C ATOM 612 O ILE A 39 -7.983 -4.146 3.181 1.00 0.00 O ATOM 613 CB ILE A 39 -5.495 -5.355 4.044 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.627 -5.132 2.798 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.708 -6.082 5.121 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.403 -4.276 3.047 1.00 0.00 C ATOM 0 H ILE A 39 -5.671 -7.383 2.388 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.297 -6.403 4.607 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.791 -4.380 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.308 -6.100 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.234 -4.664 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.811 -5.512 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.324 -6.186 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.423 -7.070 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.842 -4.165 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.712 -3.294 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.772 -4.752 3.798 1.00 0.00 H new ATOM 628 N GLY A 40 -8.075 -5.819 1.682 1.00 0.00 N ATOM 629 CA GLY A 40 -8.946 -5.103 0.768 1.00 0.00 C ATOM 630 C GLY A 40 -10.232 -4.632 1.422 1.00 0.00 C ATOM 631 O GLY A 40 -10.467 -3.425 1.518 1.00 0.00 O ATOM 0 H GLY A 40 -7.814 -6.754 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.413 -4.242 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.189 -5.749 -0.075 1.00 0.00 H new ATOM 635 N PRO A 41 -11.090 -5.563 1.878 1.00 0.00 N ATOM 636 CA PRO A 41 -12.365 -5.226 2.518 1.00 0.00 C ATOM 637 C PRO A 41 -12.190 -4.650 3.923 1.00 0.00 C ATOM 638 O PRO A 41 -13.154 -4.208 4.545 1.00 0.00 O ATOM 639 CB PRO A 41 -13.115 -6.567 2.584 1.00 0.00 C ATOM 640 CG PRO A 41 -12.320 -7.519 1.750 1.00 0.00 C ATOM 641 CD PRO A 41 -10.909 -7.017 1.789 1.00 0.00 C ATOM 0 HA PRO A 41 -12.894 -4.454 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.195 -6.920 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.131 -6.466 2.202 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.385 -8.533 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.696 -7.550 0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.362 -7.411 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.352 -7.303 0.897 1.00 0.00 H new ATOM 649 N LEU A 42 -10.961 -4.640 4.419 1.00 0.00 N ATOM 650 CA LEU A 42 -10.694 -4.114 5.746 1.00 0.00 C ATOM 651 C LEU A 42 -10.715 -2.591 5.728 1.00 0.00 C ATOM 652 O LEU A 42 -10.259 -1.963 4.770 1.00 0.00 O ATOM 653 CB LEU A 42 -9.347 -4.610 6.273 1.00 0.00 C ATOM 654 CG LEU A 42 -9.279 -6.111 6.566 1.00 0.00 C ATOM 655 CD1 LEU A 42 -7.911 -6.492 7.107 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.364 -6.509 7.553 1.00 0.00 C ATOM 0 H LEU A 42 -10.139 -4.988 3.925 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.478 -4.473 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.575 -4.362 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.109 -4.066 7.187 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.442 -6.648 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.885 -7.563 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.146 -6.242 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.719 -5.944 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.302 -7.579 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.228 -5.960 8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.342 -6.274 7.133 1.00 0.00 H new ATOM 668 N SER A 43 -11.262 -2.008 6.780 1.00 0.00 N ATOM 669 CA SER A 43 -11.334 -0.580 6.921 1.00 0.00 C ATOM 670 C SER A 43 -9.937 0.027 7.045 1.00 0.00 C ATOM 671 O SER A 43 -9.061 -0.539 7.700 1.00 0.00 O ATOM 672 CB SER A 43 -12.162 -0.287 8.152 1.00 0.00 C ATOM 673 OG SER A 43 -13.383 -1.011 8.120 1.00 0.00 O ATOM 0 H SER A 43 -11.669 -2.523 7.561 1.00 0.00 H new ATOM 0 HA SER A 43 -11.795 -0.134 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.599 -0.553 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.369 0.782 8.211 1.00 0.00 H new ATOM 0 HG SER A 43 -13.904 -0.810 8.925 1.00 0.00 H new ATOM 679 N VAL A 44 -9.742 1.188 6.432 1.00 0.00 N ATOM 680 CA VAL A 44 -8.423 1.819 6.365 1.00 0.00 C ATOM 681 C VAL A 44 -7.892 2.206 7.754 1.00 0.00 C ATOM 682 O VAL A 44 -6.681 2.314 7.962 1.00 0.00 O ATOM 683 CB VAL A 44 -8.448 3.060 5.440 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.368 4.139 5.994 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.044 3.610 5.215 1.00 0.00 C ATOM 0 H VAL A 44 -10.483 1.717 5.971 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.742 1.078 5.946 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.843 2.742 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.366 4.999 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.381 3.746 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.017 4.446 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.095 4.481 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.609 3.899 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.423 2.844 4.751 1.00 0.00 H new ATOM 695 N GLN A 45 -8.796 2.406 8.706 1.00 0.00 N ATOM 696 CA GLN A 45 -8.401 2.746 10.068 1.00 0.00 C ATOM 697 C GLN A 45 -8.066 1.480 10.854 1.00 0.00 C ATOM 698 O GLN A 45 -7.336 1.516 11.847 1.00 0.00 O ATOM 699 CB GLN A 45 -9.518 3.519 10.768 1.00 0.00 C ATOM 700 CG GLN A 45 -9.121 4.056 12.133 1.00 0.00 C ATOM 701 CD GLN A 45 -10.234 4.833 12.797 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.416 4.553 12.584 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.871 5.813 13.603 1.00 0.00 N ATOM 0 H GLN A 45 -9.803 2.339 8.561 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.513 3.377 10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.825 4.351 10.134 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.384 2.867 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.829 3.225 12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.247 4.699 12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.882 6.011 13.751 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.580 6.372 14.078 1.00 0.00 H new ATOM 712 N ASP A 46 -8.585 0.359 10.381 1.00 0.00 N ATOM 713 CA ASP A 46 -8.434 -0.911 11.069 1.00 0.00 C ATOM 714 C ASP A 46 -7.165 -1.625 10.625 1.00 0.00 C ATOM 715 O ASP A 46 -6.581 -2.393 11.389 1.00 0.00 O ATOM 716 CB ASP A 46 -9.655 -1.795 10.814 1.00 0.00 C ATOM 717 CG ASP A 46 -10.899 -1.293 11.523 1.00 0.00 C ATOM 718 OD1 ASP A 46 -11.407 -0.212 11.155 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.387 -1.988 12.435 1.00 0.00 O ATOM 0 H ASP A 46 -9.120 0.304 9.514 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.355 -0.713 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.847 -1.842 9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.438 -2.811 11.144 1.00 0.00 H new ATOM 724 N VAL A 47 -6.743 -1.373 9.393 1.00 0.00 N ATOM 725 CA VAL A 47 -5.507 -1.954 8.877 1.00 0.00 C ATOM 726 C VAL A 47 -4.305 -1.408 9.643 1.00 0.00 C ATOM 727 O VAL A 47 -4.029 -0.206 9.612 1.00 0.00 O ATOM 728 CB VAL A 47 -5.325 -1.669 7.370 1.00 0.00 C ATOM 729 CG1 VAL A 47 -4.032 -2.286 6.853 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.516 -2.187 6.578 1.00 0.00 C ATOM 0 H VAL A 47 -7.236 -0.772 8.732 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.574 -3.033 9.015 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.265 -0.589 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.926 -2.072 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.185 -1.863 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.058 -3.365 7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.368 -1.976 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.610 -3.263 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.425 -1.693 6.923 1.00 0.00 H new ATOM 740 N ASP A 48 -3.605 -2.292 10.347 1.00 0.00 N ATOM 741 CA ASP A 48 -2.441 -1.894 11.131 1.00 0.00 C ATOM 742 C ASP A 48 -1.175 -2.500 10.543 1.00 0.00 C ATOM 743 O ASP A 48 -1.212 -3.152 9.500 1.00 0.00 O ATOM 744 CB ASP A 48 -2.579 -2.332 12.597 1.00 0.00 C ATOM 745 CG ASP A 48 -2.090 -3.751 12.841 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.713 -4.700 12.328 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.055 -3.912 13.527 1.00 0.00 O ATOM 0 H ASP A 48 -3.823 -3.287 10.391 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.377 -0.806 11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.017 -1.646 13.230 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.625 -2.257 12.896 1.00 0.00 H new ATOM 752 N THR A 49 -0.067 -2.295 11.238 1.00 0.00 N ATOM 753 CA THR A 49 1.235 -2.786 10.808 1.00 0.00 C ATOM 754 C THR A 49 1.250 -4.313 10.677 1.00 0.00 C ATOM 755 O THR A 49 1.785 -4.854 9.705 1.00 0.00 O ATOM 756 CB THR A 49 2.321 -2.348 11.807 1.00 0.00 C ATOM 757 OG1 THR A 49 2.224 -0.936 12.028 1.00 0.00 O ATOM 758 CG2 THR A 49 3.715 -2.683 11.297 1.00 0.00 C ATOM 0 H THR A 49 -0.044 -1.782 12.119 1.00 0.00 H new ATOM 0 HA THR A 49 1.439 -2.358 9.827 1.00 0.00 H new ATOM 0 HB THR A 49 2.160 -2.889 12.740 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.575 -0.458 11.248 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.457 -2.360 12.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.799 -3.759 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.889 -2.170 10.351 1.00 0.00 H new ATOM 766 N LYS A 50 0.642 -5.001 11.641 1.00 0.00 N ATOM 767 CA LYS A 50 0.674 -6.456 11.681 1.00 0.00 C ATOM 768 C LYS A 50 -0.147 -7.040 10.532 1.00 0.00 C ATOM 769 O LYS A 50 0.258 -8.018 9.903 1.00 0.00 O ATOM 770 CB LYS A 50 0.148 -6.957 13.031 1.00 0.00 C ATOM 771 CG LYS A 50 0.751 -8.279 13.487 1.00 0.00 C ATOM 772 CD LYS A 50 0.161 -9.470 12.750 1.00 0.00 C ATOM 773 CE LYS A 50 0.906 -10.756 13.080 1.00 0.00 C ATOM 774 NZ LYS A 50 0.953 -11.024 14.544 1.00 0.00 N ATOM 0 H LYS A 50 0.121 -4.571 12.405 1.00 0.00 H new ATOM 0 HA LYS A 50 1.706 -6.788 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.347 -6.200 13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.935 -7.068 12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.829 -8.256 13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.587 -8.400 14.558 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.890 -9.579 13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.201 -9.291 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.423 -11.593 12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.923 -10.694 12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.317 -11.984 14.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.579 -10.333 15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.004 -10.943 14.943 1.00 0.00 H new ATOM 788 N LEU A 51 -1.291 -6.427 10.251 1.00 0.00 N ATOM 789 CA LEU A 51 -2.127 -6.852 9.139 1.00 0.00 C ATOM 790 C LEU A 51 -1.381 -6.706 7.814 1.00 0.00 C ATOM 791 O LEU A 51 -1.492 -7.557 6.932 1.00 0.00 O ATOM 792 CB LEU A 51 -3.424 -6.044 9.108 1.00 0.00 C ATOM 793 CG LEU A 51 -4.379 -6.304 10.274 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.629 -5.453 10.144 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.751 -7.777 10.352 1.00 0.00 C ATOM 0 H LEU A 51 -1.659 -5.635 10.778 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.373 -7.904 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.173 -4.983 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.946 -6.260 8.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.866 -6.029 11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.295 -5.654 10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.353 -4.399 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.138 -5.695 9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.431 -7.937 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.239 -8.079 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.850 -8.373 10.498 1.00 0.00 H new ATOM 807 N ILE A 52 -0.612 -5.628 7.690 1.00 0.00 N ATOM 808 CA ILE A 52 0.191 -5.394 6.496 1.00 0.00 C ATOM 809 C ILE A 52 1.327 -6.409 6.411 1.00 0.00 C ATOM 810 O ILE A 52 1.679 -6.873 5.325 1.00 0.00 O ATOM 811 CB ILE A 52 0.766 -3.959 6.477 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.373 -2.938 6.516 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.636 -3.738 5.245 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.095 -1.505 6.649 1.00 0.00 C ATOM 0 H ILE A 52 -0.529 -4.903 8.403 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.461 -5.512 5.630 1.00 0.00 H new ATOM 0 HB ILE A 52 1.391 -3.826 7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.966 -3.034 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.032 -3.174 7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.029 -2.721 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.464 -4.447 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.038 -3.888 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.769 -0.841 6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.662 -1.392 7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.729 -1.249 5.800 1.00 0.00 H new ATOM 826 N MET A 53 1.886 -6.767 7.565 1.00 0.00 N ATOM 827 CA MET A 53 2.931 -7.785 7.627 1.00 0.00 C ATOM 828 C MET A 53 2.447 -9.093 7.017 1.00 0.00 C ATOM 829 O MET A 53 3.156 -9.719 6.236 1.00 0.00 O ATOM 830 CB MET A 53 3.374 -8.041 9.069 1.00 0.00 C ATOM 831 CG MET A 53 4.166 -6.908 9.694 1.00 0.00 C ATOM 832 SD MET A 53 4.675 -7.284 11.383 1.00 0.00 S ATOM 833 CE MET A 53 5.658 -5.841 11.775 1.00 0.00 C ATOM 0 H MET A 53 1.633 -6.367 8.469 1.00 0.00 H new ATOM 0 HA MET A 53 3.781 -7.409 7.057 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.491 -8.230 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.979 -8.948 9.095 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.048 -6.706 9.087 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.562 -6.000 9.692 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.656 -6.153 12.081 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.732 -5.201 10.896 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.185 -5.289 12.587 1.00 0.00 H new ATOM 843 N LYS A 54 1.228 -9.489 7.374 1.00 0.00 N ATOM 844 CA LYS A 54 0.638 -10.728 6.875 1.00 0.00 C ATOM 845 C LYS A 54 0.543 -10.725 5.355 1.00 0.00 C ATOM 846 O LYS A 54 0.709 -11.762 4.715 1.00 0.00 O ATOM 847 CB LYS A 54 -0.745 -10.962 7.486 1.00 0.00 C ATOM 848 CG LYS A 54 -0.717 -11.192 8.988 1.00 0.00 C ATOM 849 CD LYS A 54 -2.001 -11.848 9.471 1.00 0.00 C ATOM 850 CE LYS A 54 -2.174 -13.230 8.856 1.00 0.00 C ATOM 851 NZ LYS A 54 -3.358 -13.939 9.403 1.00 0.00 N ATOM 0 H LYS A 54 0.627 -8.966 8.011 1.00 0.00 H new ATOM 0 HA LYS A 54 1.296 -11.544 7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.378 -10.101 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.205 -11.825 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.135 -11.822 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.577 -10.241 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.985 -11.929 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.854 -11.221 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.276 -13.135 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.279 -13.824 9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.438 -14.875 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.250 -14.053 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.216 -13.386 9.204 1.00 0.00 H new ATOM 865 N VAL A 55 0.254 -9.565 4.785 1.00 0.00 N ATOM 866 CA VAL A 55 0.154 -9.429 3.337 1.00 0.00 C ATOM 867 C VAL A 55 1.533 -9.517 2.683 1.00 0.00 C ATOM 868 O VAL A 55 1.711 -10.202 1.680 1.00 0.00 O ATOM 869 CB VAL A 55 -0.510 -8.090 2.939 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.650 -7.972 1.426 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.864 -7.945 3.613 1.00 0.00 C ATOM 0 H VAL A 55 0.084 -8.702 5.302 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.468 -10.251 2.983 1.00 0.00 H new ATOM 0 HB VAL A 55 0.136 -7.281 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.120 -7.021 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.336 -8.021 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.267 -8.790 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.316 -6.997 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.513 -8.766 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.736 -7.968 4.695 1.00 0.00 H new ATOM 881 N LEU A 56 2.507 -8.835 3.270 1.00 0.00 N ATOM 882 CA LEU A 56 3.845 -8.753 2.687 1.00 0.00 C ATOM 883 C LEU A 56 4.646 -10.037 2.894 1.00 0.00 C ATOM 884 O LEU A 56 5.488 -10.381 2.065 1.00 0.00 O ATOM 885 CB LEU A 56 4.614 -7.573 3.282 1.00 0.00 C ATOM 886 CG LEU A 56 4.038 -6.190 2.967 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.875 -5.104 3.622 1.00 0.00 C ATOM 888 CD2 LEU A 56 3.967 -5.971 1.465 1.00 0.00 C ATOM 0 H LEU A 56 2.399 -8.330 4.149 1.00 0.00 H new ATOM 0 HA LEU A 56 3.715 -8.608 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.652 -7.694 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.642 -7.611 2.921 1.00 0.00 H new ATOM 0 HG LEU A 56 3.027 -6.139 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.452 -4.127 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.878 -5.249 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.897 -5.156 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.555 -4.983 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.968 -6.042 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.327 -6.731 1.016 1.00 0.00 H new ATOM 900 N ASP A 57 4.371 -10.736 3.991 1.00 0.00 N ATOM 901 CA ASP A 57 5.123 -11.942 4.376 1.00 0.00 C ATOM 902 C ASP A 57 5.285 -12.929 3.204 1.00 0.00 C ATOM 903 O ASP A 57 6.409 -13.302 2.864 1.00 0.00 O ATOM 904 CB ASP A 57 4.439 -12.642 5.560 1.00 0.00 C ATOM 905 CG ASP A 57 5.375 -13.557 6.332 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.593 -14.706 5.891 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.890 -13.135 7.389 1.00 0.00 O ATOM 0 H ASP A 57 3.625 -10.490 4.641 1.00 0.00 H new ATOM 0 HA ASP A 57 6.121 -11.617 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.037 -11.888 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.594 -13.223 5.192 1.00 0.00 H new ATOM 912 N PRO A 58 4.180 -13.365 2.558 1.00 0.00 N ATOM 913 CA PRO A 58 4.256 -14.318 1.446 1.00 0.00 C ATOM 914 C PRO A 58 4.787 -13.690 0.157 1.00 0.00 C ATOM 915 O PRO A 58 5.162 -14.397 -0.777 1.00 0.00 O ATOM 916 CB PRO A 58 2.805 -14.766 1.262 1.00 0.00 C ATOM 917 CG PRO A 58 1.991 -13.621 1.750 1.00 0.00 C ATOM 918 CD PRO A 58 2.784 -12.991 2.864 1.00 0.00 C ATOM 0 HA PRO A 58 4.948 -15.132 1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.589 -14.989 0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.595 -15.672 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.806 -12.905 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.018 -13.958 2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.655 -11.909 2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.473 -13.367 3.839 1.00 0.00 H new ATOM 926 N ILE A 59 4.831 -12.366 0.106 1.00 0.00 N ATOM 927 CA ILE A 59 5.309 -11.674 -1.083 1.00 0.00 C ATOM 928 C ILE A 59 6.835 -11.654 -1.111 1.00 0.00 C ATOM 929 O ILE A 59 7.442 -11.691 -2.181 1.00 0.00 O ATOM 930 CB ILE A 59 4.759 -10.234 -1.182 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.232 -10.242 -1.076 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.191 -9.590 -2.493 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.614 -8.861 -1.107 1.00 0.00 C ATOM 0 H ILE A 59 4.544 -11.753 0.869 1.00 0.00 H new ATOM 0 HA ILE A 59 4.938 -12.227 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 59 5.165 -9.650 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.823 -10.832 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.943 -10.739 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.796 -8.576 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.279 -9.558 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.808 -10.175 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.530 -8.946 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.994 -8.273 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.872 -8.368 -2.044 1.00 0.00 H new ATOM 945 N TRP A 60 7.453 -11.628 0.070 1.00 0.00 N ATOM 946 CA TRP A 60 8.911 -11.705 0.176 1.00 0.00 C ATOM 947 C TRP A 60 9.421 -13.019 -0.404 1.00 0.00 C ATOM 948 O TRP A 60 10.576 -13.126 -0.817 1.00 0.00 O ATOM 949 CB TRP A 60 9.362 -11.584 1.634 1.00 0.00 C ATOM 950 CG TRP A 60 9.096 -10.241 2.245 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.251 -9.968 3.281 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.681 -8.989 1.862 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.272 -8.625 3.566 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.139 -8.001 2.707 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.606 -8.605 0.885 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.496 -6.657 2.607 1.00 0.00 C ATOM 957 CZ3 TRP A 60 10.959 -7.272 0.788 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.405 -6.312 1.643 1.00 0.00 C ATOM 0 H TRP A 60 6.969 -11.554 0.965 1.00 0.00 H new ATOM 0 HA TRP A 60 9.328 -10.874 -0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.856 -12.347 2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.430 -11.793 1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.653 -10.701 3.801 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.730 -8.166 4.298 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.037 -9.337 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.071 -5.915 3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.675 -6.966 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.701 -5.278 1.540 1.00 0.00 H new ATOM 969 N GLU A 61 8.547 -14.015 -0.417 1.00 0.00 N ATOM 970 CA GLU A 61 8.844 -15.308 -0.992 1.00 0.00 C ATOM 971 C GLU A 61 8.942 -15.214 -2.510 1.00 0.00 C ATOM 972 O GLU A 61 9.883 -15.725 -3.117 1.00 0.00 O ATOM 973 CB GLU A 61 7.738 -16.284 -0.608 1.00 0.00 C ATOM 974 CG GLU A 61 7.949 -16.983 0.725 1.00 0.00 C ATOM 975 CD GLU A 61 8.851 -18.195 0.610 1.00 0.00 C ATOM 976 OE1 GLU A 61 8.365 -19.262 0.171 1.00 0.00 O ATOM 977 OE2 GLU A 61 10.042 -18.093 0.957 1.00 0.00 O ATOM 0 H GLU A 61 7.608 -13.943 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 61 9.803 -15.657 -0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.791 -15.746 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.649 -17.039 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.381 -16.279 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.984 -17.290 1.127 1.00 0.00 H new ATOM 984 N GLN A 62 7.964 -14.546 -3.107 1.00 0.00 N ATOM 985 CA GLN A 62 7.833 -14.487 -4.540 1.00 0.00 C ATOM 986 C GLN A 62 8.635 -13.331 -5.146 1.00 0.00 C ATOM 987 O GLN A 62 9.519 -13.548 -5.975 1.00 0.00 O ATOM 988 CB GLN A 62 6.355 -14.335 -4.880 1.00 0.00 C ATOM 989 CG GLN A 62 6.065 -14.475 -6.349 1.00 0.00 C ATOM 990 CD GLN A 62 4.596 -14.304 -6.676 1.00 0.00 C ATOM 991 OE1 GLN A 62 4.192 -13.078 -6.960 1.00 0.00 O flip ATOM 992 NE2 GLN A 62 3.832 -15.264 -6.672 1.00 0.00 N flip ATOM 0 H GLN A 62 7.242 -14.032 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 62 8.235 -15.407 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.784 -15.084 -4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.010 -13.359 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.644 -13.735 -6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.396 -15.456 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.184 -16.195 -6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.845 -15.131 -6.893 1.00 0.00 H new ATOM 1001 N LYS A 63 8.327 -12.106 -4.723 1.00 0.00 N ATOM 1002 CA LYS A 63 8.884 -10.915 -5.357 1.00 0.00 C ATOM 1003 C LYS A 63 9.298 -9.881 -4.311 1.00 0.00 C ATOM 1004 O LYS A 63 8.510 -9.003 -3.958 1.00 0.00 O ATOM 1005 CB LYS A 63 7.866 -10.278 -6.310 1.00 0.00 C ATOM 1006 CG LYS A 63 7.146 -11.265 -7.211 1.00 0.00 C ATOM 1007 CD LYS A 63 6.278 -10.554 -8.236 1.00 0.00 C ATOM 1008 CE LYS A 63 7.105 -10.063 -9.411 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.655 -11.194 -10.205 1.00 0.00 N ATOM 0 H LYS A 63 7.696 -11.914 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 63 9.763 -11.228 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.126 -9.736 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.379 -9.544 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.876 -11.891 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.527 -11.927 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.502 -11.232 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.773 -9.710 -7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.488 -9.433 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.923 -9.442 -9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.866 -10.870 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.528 -11.540 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.956 -11.963 -10.243 1.00 0.00 H new ATOM 1023 N PRO A 64 10.530 -9.982 -3.793 1.00 0.00 N ATOM 1024 CA PRO A 64 11.039 -9.076 -2.753 1.00 0.00 C ATOM 1025 C PRO A 64 10.896 -7.595 -3.107 1.00 0.00 C ATOM 1026 O PRO A 64 10.374 -6.809 -2.312 1.00 0.00 O ATOM 1027 CB PRO A 64 12.516 -9.458 -2.640 1.00 0.00 C ATOM 1028 CG PRO A 64 12.577 -10.871 -3.102 1.00 0.00 C ATOM 1029 CD PRO A 64 11.525 -11.005 -4.167 1.00 0.00 C ATOM 0 HA PRO A 64 10.476 -9.186 -1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.140 -8.812 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.873 -9.361 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.564 -11.110 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.388 -11.559 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.934 -10.824 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.090 -12.004 -4.179 1.00 0.00 H new ATOM 1037 N GLU A 65 11.340 -7.213 -4.299 1.00 0.00 N ATOM 1038 CA GLU A 65 11.283 -5.814 -4.707 1.00 0.00 C ATOM 1039 C GLU A 65 9.836 -5.363 -4.860 1.00 0.00 C ATOM 1040 O GLU A 65 9.489 -4.229 -4.538 1.00 0.00 O ATOM 1041 CB GLU A 65 12.038 -5.587 -6.016 1.00 0.00 C ATOM 1042 CG GLU A 65 12.130 -4.118 -6.404 1.00 0.00 C ATOM 1043 CD GLU A 65 12.869 -3.890 -7.706 1.00 0.00 C ATOM 1044 OE1 GLU A 65 14.115 -3.885 -7.694 1.00 0.00 O ATOM 1045 OE2 GLU A 65 12.208 -3.694 -8.746 1.00 0.00 O ATOM 0 H GLU A 65 11.739 -7.844 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 65 11.763 -5.222 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.044 -5.996 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.542 -6.138 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.124 -3.707 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.633 -3.569 -5.608 1.00 0.00 H new ATOM 1052 N THR A 66 8.989 -6.265 -5.333 1.00 0.00 N ATOM 1053 CA THR A 66 7.585 -5.949 -5.540 1.00 0.00 C ATOM 1054 C THR A 66 6.869 -5.776 -4.202 1.00 0.00 C ATOM 1055 O THR A 66 5.961 -4.956 -4.081 1.00 0.00 O ATOM 1056 CB THR A 66 6.891 -7.028 -6.393 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.584 -7.152 -7.642 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.433 -6.682 -6.661 1.00 0.00 C ATOM 0 H THR A 66 9.249 -7.220 -5.580 1.00 0.00 H new ATOM 0 HA THR A 66 7.531 -5.006 -6.085 1.00 0.00 H new ATOM 0 HB THR A 66 6.918 -7.968 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.997 -7.578 -8.301 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.978 -7.467 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.899 -6.597 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.376 -5.734 -7.195 1.00 0.00 H new ATOM 1066 N ALA A 67 7.306 -6.526 -3.197 1.00 0.00 N ATOM 1067 CA ALA A 67 6.802 -6.350 -1.841 1.00 0.00 C ATOM 1068 C ALA A 67 7.124 -4.947 -1.346 1.00 0.00 C ATOM 1069 O ALA A 67 6.300 -4.293 -0.708 1.00 0.00 O ATOM 1070 CB ALA A 67 7.399 -7.390 -0.906 1.00 0.00 C ATOM 0 H ALA A 67 8.007 -7.260 -3.296 1.00 0.00 H new ATOM 0 HA ALA A 67 5.720 -6.483 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.009 -7.240 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.132 -8.388 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.484 -7.288 -0.894 1.00 0.00 H new ATOM 1076 N SER A 68 8.325 -4.485 -1.671 1.00 0.00 N ATOM 1077 CA SER A 68 8.757 -3.149 -1.295 1.00 0.00 C ATOM 1078 C SER A 68 7.970 -2.088 -2.070 1.00 0.00 C ATOM 1079 O SER A 68 7.548 -1.074 -1.507 1.00 0.00 O ATOM 1080 CB SER A 68 10.257 -2.993 -1.554 1.00 0.00 C ATOM 1081 OG SER A 68 10.992 -4.004 -0.885 1.00 0.00 O ATOM 0 H SER A 68 9.017 -5.019 -2.196 1.00 0.00 H new ATOM 0 HA SER A 68 8.564 -3.007 -0.232 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.453 -3.043 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.589 -2.012 -1.215 1.00 0.00 H new ATOM 0 HG SER A 68 10.815 -4.871 -1.307 1.00 0.00 H new ATOM 1087 N ARG A 69 7.756 -2.339 -3.360 1.00 0.00 N ATOM 1088 CA ARG A 69 7.034 -1.414 -4.217 1.00 0.00 C ATOM 1089 C ARG A 69 5.558 -1.340 -3.836 1.00 0.00 C ATOM 1090 O ARG A 69 4.937 -0.280 -3.935 1.00 0.00 O ATOM 1091 CB ARG A 69 7.195 -1.826 -5.680 1.00 0.00 C ATOM 1092 CG ARG A 69 8.622 -1.708 -6.186 1.00 0.00 C ATOM 1093 CD ARG A 69 8.726 -1.987 -7.677 1.00 0.00 C ATOM 1094 NE ARG A 69 8.387 -3.371 -8.021 1.00 0.00 N ATOM 1095 CZ ARG A 69 8.545 -3.890 -9.243 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.051 -3.148 -10.217 1.00 0.00 N ATOM 1097 NH2 ARG A 69 8.200 -5.150 -9.489 1.00 0.00 N ATOM 0 H ARG A 69 8.077 -3.184 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 69 7.457 -0.419 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.859 -2.856 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.546 -1.206 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.998 -0.706 -5.978 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.258 -2.406 -5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.062 -1.311 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.741 -1.772 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 69 8.010 -3.971 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.320 -2.181 -10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.172 -3.544 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.812 -5.727 -8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.323 -5.539 -10.424 1.00 0.00 H new ATOM 1111 N LEU A 70 5.001 -2.465 -3.404 1.00 0.00 N ATOM 1112 CA LEU A 70 3.633 -2.493 -2.904 1.00 0.00 C ATOM 1113 C LEU A 70 3.544 -1.691 -1.612 1.00 0.00 C ATOM 1114 O LEU A 70 2.652 -0.865 -1.440 1.00 0.00 O ATOM 1115 CB LEU A 70 3.169 -3.932 -2.662 1.00 0.00 C ATOM 1116 CG LEU A 70 1.737 -4.073 -2.143 1.00 0.00 C ATOM 1117 CD1 LEU A 70 0.735 -3.580 -3.178 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.450 -5.517 -1.766 1.00 0.00 C ATOM 0 H LEU A 70 5.475 -3.368 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 70 2.980 -2.047 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.257 -4.488 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.846 -4.400 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 70 1.634 -3.455 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.276 -3.690 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.926 -2.530 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.837 -4.167 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.427 -5.601 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.574 -6.153 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.143 -5.834 -0.986 1.00 0.00 H new ATOM 1130 N ARG A 71 4.502 -1.920 -0.723 1.00 0.00 N ATOM 1131 CA ARG A 71 4.562 -1.211 0.551 1.00 0.00 C ATOM 1132 C ARG A 71 4.679 0.293 0.318 1.00 0.00 C ATOM 1133 O ARG A 71 4.062 1.095 1.021 1.00 0.00 O ATOM 1134 CB ARG A 71 5.746 -1.738 1.381 1.00 0.00 C ATOM 1135 CG ARG A 71 5.993 -0.978 2.677 1.00 0.00 C ATOM 1136 CD ARG A 71 7.004 0.139 2.477 1.00 0.00 C ATOM 1137 NE ARG A 71 6.968 1.118 3.557 1.00 0.00 N ATOM 1138 CZ ARG A 71 7.119 2.429 3.375 1.00 0.00 C ATOM 1139 NH1 ARG A 71 7.356 2.908 2.157 1.00 0.00 N ATOM 1140 NH2 ARG A 71 7.046 3.254 4.410 1.00 0.00 N ATOM 0 H ARG A 71 5.253 -2.596 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 71 3.642 -1.390 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.570 -2.787 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.649 -1.696 0.771 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.054 -0.561 3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.354 -1.666 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.005 -0.288 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.806 0.640 1.529 1.00 0.00 H new ATOM 0 HE ARG A 71 6.818 0.779 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.422 2.272 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.472 3.912 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.874 2.885 5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.162 4.258 4.271 1.00 0.00 H new ATOM 1154 N GLY A 72 5.464 0.657 -0.683 1.00 0.00 N ATOM 1155 CA GLY A 72 5.666 2.055 -1.008 1.00 0.00 C ATOM 1156 C GLY A 72 4.381 2.768 -1.389 1.00 0.00 C ATOM 1157 O GLY A 72 4.142 3.894 -0.953 1.00 0.00 O ATOM 0 H GLY A 72 5.969 0.004 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.115 2.560 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.375 2.132 -1.832 1.00 0.00 H new ATOM 1161 N ARG A 73 3.552 2.128 -2.208 1.00 0.00 N ATOM 1162 CA ARG A 73 2.291 2.736 -2.620 1.00 0.00 C ATOM 1163 C ARG A 73 1.286 2.735 -1.469 1.00 0.00 C ATOM 1164 O ARG A 73 0.494 3.669 -1.332 1.00 0.00 O ATOM 1165 CB ARG A 73 1.709 2.053 -3.867 1.00 0.00 C ATOM 1166 CG ARG A 73 1.347 0.592 -3.685 1.00 0.00 C ATOM 1167 CD ARG A 73 0.786 0.001 -4.967 1.00 0.00 C ATOM 1168 NE ARG A 73 1.757 0.032 -6.062 1.00 0.00 N ATOM 1169 CZ ARG A 73 1.481 -0.328 -7.315 1.00 0.00 C ATOM 1170 NH1 ARG A 73 0.251 -0.702 -7.648 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.432 -0.293 -8.239 1.00 0.00 N ATOM 0 H ARG A 73 3.727 1.201 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 73 2.498 3.772 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.817 2.597 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.432 2.135 -4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.230 0.031 -3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.614 0.493 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.478 -1.029 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.107 0.554 -5.260 1.00 0.00 H new ATOM 0 HE ARG A 73 2.704 0.349 -5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.487 -0.714 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.044 -0.977 -8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.374 0.009 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.221 -0.568 -9.198 1.00 0.00 H new ATOM 1185 N ILE A 74 1.334 1.693 -0.636 1.00 0.00 N ATOM 1186 CA ILE A 74 0.459 1.598 0.530 1.00 0.00 C ATOM 1187 C ILE A 74 0.683 2.784 1.469 1.00 0.00 C ATOM 1188 O ILE A 74 -0.270 3.342 2.018 1.00 0.00 O ATOM 1189 CB ILE A 74 0.677 0.271 1.298 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.261 -0.918 0.430 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.096 0.262 2.610 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.516 -2.264 1.080 1.00 0.00 C ATOM 0 H ILE A 74 1.970 0.904 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.569 1.617 0.168 1.00 0.00 H new ATOM 0 HB ILE A 74 1.738 0.186 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.800 -0.832 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.801 -0.873 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.076 -0.682 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.242 1.087 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.161 0.375 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.197 -3.060 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.580 -2.371 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.045 -2.330 2.012 1.00 0.00 H new ATOM 1204 N GLU A 75 1.948 3.175 1.630 1.00 0.00 N ATOM 1205 CA GLU A 75 2.308 4.324 2.453 1.00 0.00 C ATOM 1206 C GLU A 75 1.549 5.568 1.994 1.00 0.00 C ATOM 1207 O GLU A 75 0.938 6.273 2.798 1.00 0.00 O ATOM 1208 CB GLU A 75 3.815 4.581 2.360 1.00 0.00 C ATOM 1209 CG GLU A 75 4.298 5.743 3.218 1.00 0.00 C ATOM 1210 CD GLU A 75 5.735 6.123 2.925 1.00 0.00 C ATOM 1211 OE1 GLU A 75 5.984 6.790 1.898 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.631 5.761 3.720 1.00 0.00 O ATOM 0 H GLU A 75 2.744 2.707 1.196 1.00 0.00 H new ATOM 0 HA GLU A 75 2.039 4.107 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.347 3.677 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.077 4.777 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.655 6.607 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.203 5.477 4.271 1.00 0.00 H new ATOM 1219 N SER A 76 1.569 5.801 0.690 1.00 0.00 N ATOM 1220 CA SER A 76 0.917 6.963 0.102 1.00 0.00 C ATOM 1221 C SER A 76 -0.594 6.940 0.333 1.00 0.00 C ATOM 1222 O SER A 76 -1.210 7.982 0.547 1.00 0.00 O ATOM 1223 CB SER A 76 1.226 7.026 -1.388 1.00 0.00 C ATOM 1224 OG SER A 76 2.623 7.149 -1.608 1.00 0.00 O ATOM 0 H SER A 76 2.034 5.195 0.014 1.00 0.00 H new ATOM 0 HA SER A 76 1.308 7.855 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.854 6.127 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.707 7.873 -1.836 1.00 0.00 H new ATOM 0 HG SER A 76 2.800 7.186 -2.571 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.181 5.749 0.293 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.620 5.598 0.483 1.00 0.00 C ATOM 1232 C VAL A 77 -3.013 5.857 1.934 1.00 0.00 C ATOM 1233 O VAL A 77 -3.929 6.633 2.210 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.102 4.190 0.068 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.596 4.036 0.320 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.778 3.925 -1.395 1.00 0.00 C ATOM 0 H VAL A 77 -0.683 4.874 0.131 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.102 6.337 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.575 3.455 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.914 3.037 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.803 4.180 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.142 4.780 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.125 2.929 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.276 4.667 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.700 3.989 -1.546 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.303 5.221 2.857 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.630 5.318 4.274 1.00 0.00 C ATOM 1248 C LEU A 78 -2.456 6.740 4.797 1.00 0.00 C ATOM 1249 O LEU A 78 -3.300 7.236 5.542 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.778 4.343 5.089 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.046 2.862 4.816 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.122 1.990 5.651 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.498 2.522 5.108 1.00 0.00 C ATOM 0 H LEU A 78 -1.496 4.632 2.650 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.680 5.050 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.726 4.549 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.945 4.537 6.149 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.848 2.666 3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.327 0.940 5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.085 2.214 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.290 2.190 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.671 1.465 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.718 2.735 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.147 3.123 4.471 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.376 7.402 4.394 1.00 0.00 N ATOM 1266 CA ASP A 79 -1.121 8.771 4.836 1.00 0.00 C ATOM 1267 C ASP A 79 -2.132 9.741 4.235 1.00 0.00 C ATOM 1268 O ASP A 79 -2.455 10.763 4.841 1.00 0.00 O ATOM 1269 CB ASP A 79 0.307 9.213 4.499 1.00 0.00 C ATOM 1270 CG ASP A 79 1.254 9.042 5.673 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.137 9.813 6.653 1.00 0.00 O ATOM 1272 OD2 ASP A 79 2.115 8.138 5.633 1.00 0.00 O ATOM 0 H ASP A 79 -0.668 7.018 3.768 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.232 8.786 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.674 8.634 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.298 10.259 4.191 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.637 9.416 3.052 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.669 10.228 2.417 1.00 0.00 C ATOM 1279 C TRP A 80 -4.982 10.104 3.184 1.00 0.00 C ATOM 1280 O TRP A 80 -5.702 11.088 3.376 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.871 9.806 0.962 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.941 10.588 0.258 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.842 11.860 -0.227 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.270 10.146 -0.049 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.027 12.237 -0.813 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.919 11.201 -0.717 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.974 8.957 0.176 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.236 11.105 -1.160 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.279 8.865 -0.264 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.898 9.931 -0.926 1.00 0.00 C ATOM 0 H TRP A 80 -2.350 8.599 2.513 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.344 11.268 2.433 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.931 9.924 0.423 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.125 8.747 0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.960 12.480 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.212 13.141 -1.248 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.505 8.128 0.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.717 11.927 -1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.833 7.953 -0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.920 9.825 -1.259 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.279 8.887 3.626 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.460 8.629 4.436 1.00 0.00 C ATOM 1303 C ALA A 81 -6.408 9.450 5.716 1.00 0.00 C ATOM 1304 O ALA A 81 -7.430 9.938 6.194 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.567 7.149 4.761 1.00 0.00 C ATOM 0 H ALA A 81 -4.713 8.060 3.435 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.343 8.922 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.456 6.973 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.640 6.578 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.682 6.833 5.314 1.00 0.00 H new ATOM 1311 N THR A 82 -5.208 9.601 6.262 1.00 0.00 N ATOM 1312 CA THR A 82 -4.994 10.425 7.444 1.00 0.00 C ATOM 1313 C THR A 82 -5.325 11.891 7.158 1.00 0.00 C ATOM 1314 O THR A 82 -5.967 12.559 7.972 1.00 0.00 O ATOM 1315 CB THR A 82 -3.542 10.309 7.934 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.204 8.929 8.101 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.346 11.043 9.251 1.00 0.00 C ATOM 0 H THR A 82 -4.362 9.160 5.901 1.00 0.00 H new ATOM 0 HA THR A 82 -5.662 10.061 8.225 1.00 0.00 H new ATOM 0 HB THR A 82 -2.891 10.765 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.107 8.507 7.222 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.309 10.943 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.585 12.098 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.003 10.615 10.008 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.901 12.376 5.994 1.00 0.00 N ATOM 1326 CA VAL A 83 -5.196 13.743 5.577 1.00 0.00 C ATOM 1327 C VAL A 83 -6.705 13.940 5.439 1.00 0.00 C ATOM 1328 O VAL A 83 -7.248 14.975 5.825 1.00 0.00 O ATOM 1329 CB VAL A 83 -4.503 14.093 4.239 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.829 15.520 3.813 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.997 13.894 4.350 1.00 0.00 C ATOM 0 H VAL A 83 -4.351 11.841 5.322 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.808 14.411 6.346 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.884 13.418 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.330 15.741 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.907 15.625 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.484 16.216 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.526 14.145 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.601 14.541 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.785 12.854 4.597 1.00 0.00 H new ATOM 1341 N ARG A 84 -7.380 12.920 4.917 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.831 12.953 4.768 1.00 0.00 C ATOM 1343 C ARG A 84 -9.540 12.710 6.103 1.00 0.00 C ATOM 1344 O ARG A 84 -10.765 12.802 6.190 1.00 0.00 O ATOM 1345 CB ARG A 84 -9.289 11.911 3.749 1.00 0.00 C ATOM 1346 CG ARG A 84 -9.124 12.342 2.302 1.00 0.00 C ATOM 1347 CD ARG A 84 -9.928 13.598 2.006 1.00 0.00 C ATOM 1348 NE ARG A 84 -10.255 13.718 0.589 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.344 14.875 -0.060 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -10.023 16.014 0.543 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -10.736 14.885 -1.327 1.00 0.00 N ATOM 0 H ARG A 84 -6.944 12.058 4.589 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.098 13.949 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.727 10.991 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.338 11.679 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.070 12.524 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.446 11.537 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.848 13.585 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.361 14.474 2.323 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.426 12.861 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.705 16.006 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.094 16.897 0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.967 14.009 -1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.807 15.768 -1.832 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.772 12.389 7.136 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.343 12.173 8.452 1.00 0.00 C ATOM 1367 C GLY A 85 -10.023 10.826 8.584 1.00 0.00 C ATOM 1368 O GLY A 85 -10.986 10.682 9.335 1.00 0.00 O ATOM 0 H GLY A 85 -7.760 12.274 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.556 12.252 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.065 12.962 8.663 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.538 9.839 7.841 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.062 8.481 7.941 1.00 0.00 C ATOM 1374 C TYR A 86 -9.395 7.734 9.085 1.00 0.00 C ATOM 1375 O TYR A 86 -9.973 6.811 9.658 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.855 7.705 6.637 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.857 8.033 5.557 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.142 7.510 5.600 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.519 8.854 4.492 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.063 7.798 4.612 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -11.433 9.148 3.500 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.704 8.618 3.564 1.00 0.00 C ATOM 1383 OH TYR A 86 -13.624 8.915 2.584 1.00 0.00 O ATOM 0 H TYR A 86 -8.784 9.952 7.163 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.132 8.558 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.852 7.909 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.904 6.637 6.851 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.426 6.867 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.524 9.270 4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.059 7.383 4.660 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.154 9.790 2.678 1.00 0.00 H new ATOM 0 HH TYR A 86 -13.214 9.506 1.918 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.177 8.136 9.407 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.422 7.502 10.472 1.00 0.00 C ATOM 1395 C ARG A 87 -6.547 8.519 11.184 1.00 0.00 C ATOM 1396 O ARG A 87 -6.486 9.688 10.788 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.552 6.366 9.930 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.692 6.756 8.735 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.400 5.953 8.691 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.624 4.530 8.953 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.090 3.877 9.986 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.305 4.520 10.844 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.338 2.585 10.159 1.00 0.00 N ATOM 0 H ARG A 87 -7.689 8.902 8.943 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.137 7.085 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.903 6.007 10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.196 5.534 9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.253 6.595 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.459 7.820 8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.934 6.072 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.702 6.351 9.427 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.221 4.010 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.111 5.513 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.896 4.021 11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.939 2.088 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.928 2.088 10.950 1.00 0.00 H new ATOM 1417 N GLU A 88 -5.888 8.068 12.239 1.00 0.00 N ATOM 1418 CA GLU A 88 -4.989 8.907 13.013 1.00 0.00 C ATOM 1419 C GLU A 88 -3.641 9.041 12.312 1.00 0.00 C ATOM 1420 O GLU A 88 -3.344 8.300 11.370 1.00 0.00 O ATOM 1421 CB GLU A 88 -4.804 8.332 14.424 1.00 0.00 C ATOM 1422 CG GLU A 88 -6.007 8.523 15.343 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.297 7.979 14.765 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -7.378 6.755 14.527 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.225 8.783 14.520 1.00 0.00 O ATOM 0 H GLU A 88 -5.961 7.110 12.582 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.432 9.899 13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.588 7.267 14.344 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.933 8.800 14.883 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.809 8.032 16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.131 9.586 15.552 1.00 0.00 H new ATOM 1432 N GLY A 89 -2.831 9.979 12.787 1.00 0.00 N ATOM 1433 CA GLY A 89 -1.565 10.275 12.144 1.00 0.00 C ATOM 1434 C GLY A 89 -0.509 9.207 12.353 1.00 0.00 C ATOM 1435 O GLY A 89 -0.675 8.311 13.185 1.00 0.00 O ATOM 0 H GLY A 89 -3.031 10.544 13.612 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.732 10.403 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.188 11.225 12.524 1.00 0.00 H new ATOM 1439 N ASP A 90 0.590 9.349 11.605 1.00 0.00 N ATOM 1440 CA ASP A 90 1.705 8.402 11.592 1.00 0.00 C ATOM 1441 C ASP A 90 1.280 7.054 11.022 1.00 0.00 C ATOM 1442 O ASP A 90 0.342 6.408 11.489 1.00 0.00 O ATOM 1443 CB ASP A 90 2.324 8.257 12.976 1.00 0.00 C ATOM 1444 CG ASP A 90 3.635 7.492 12.965 1.00 0.00 C ATOM 1445 OD1 ASP A 90 4.198 7.254 11.870 1.00 0.00 O ATOM 1446 OD2 ASP A 90 4.134 7.151 14.057 1.00 0.00 O ATOM 0 H ASP A 90 0.730 10.142 10.980 1.00 0.00 H new ATOM 0 HA ASP A 90 2.474 8.805 10.933 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.492 9.248 13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.618 7.747 13.632 1.00 0.00 H new ATOM 1451 N ASN A 91 1.999 6.642 10.000 1.00 0.00 N ATOM 1452 CA ASN A 91 1.587 5.522 9.168 1.00 0.00 C ATOM 1453 C ASN A 91 2.012 4.192 9.793 1.00 0.00 C ATOM 1454 O ASN A 91 3.119 4.071 10.318 1.00 0.00 O ATOM 1455 CB ASN A 91 2.234 5.717 7.786 1.00 0.00 C ATOM 1456 CG ASN A 91 1.635 4.875 6.674 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.276 3.720 6.860 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.514 5.471 5.501 1.00 0.00 N ATOM 0 H ASN A 91 2.882 7.069 9.720 1.00 0.00 H new ATOM 0 HA ASN A 91 0.501 5.492 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.154 6.768 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.297 5.488 7.863 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.110 4.967 4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.825 6.435 5.385 1.00 0.00 H new ATOM 1465 N PRO A 92 1.138 3.168 9.733 1.00 0.00 N ATOM 1466 CA PRO A 92 1.468 1.818 10.199 1.00 0.00 C ATOM 1467 C PRO A 92 2.406 1.078 9.240 1.00 0.00 C ATOM 1468 O PRO A 92 3.090 0.135 9.634 1.00 0.00 O ATOM 1469 CB PRO A 92 0.108 1.120 10.259 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.731 1.836 9.259 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.265 3.265 9.277 1.00 0.00 C ATOM 0 HA PRO A 92 1.997 1.837 11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.196 0.061 10.016 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.326 1.183 11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.614 1.400 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.788 1.767 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.335 3.722 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.865 3.874 9.953 1.00 0.00 H new ATOM 1479 N ALA A 93 2.439 1.515 7.986 1.00 0.00 N ATOM 1480 CA ALA A 93 3.291 0.898 6.974 1.00 0.00 C ATOM 1481 C ALA A 93 4.609 1.652 6.850 1.00 0.00 C ATOM 1482 O ALA A 93 5.378 1.430 5.917 1.00 0.00 O ATOM 1483 CB ALA A 93 2.582 0.871 5.628 1.00 0.00 C ATOM 0 H ALA A 93 1.883 2.298 7.644 1.00 0.00 H new ATOM 0 HA ALA A 93 3.501 -0.126 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.231 0.408 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.660 0.296 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.347 1.890 5.320 1.00 0.00 H new ATOM 1489 N ARG A 94 4.856 2.534 7.805 1.00 0.00 N ATOM 1490 CA ARG A 94 6.032 3.393 7.790 1.00 0.00 C ATOM 1491 C ARG A 94 7.316 2.573 7.927 1.00 0.00 C ATOM 1492 O ARG A 94 8.036 2.391 6.948 1.00 0.00 O ATOM 1493 CB ARG A 94 5.916 4.412 8.919 1.00 0.00 C ATOM 1494 CG ARG A 94 6.972 5.495 8.889 1.00 0.00 C ATOM 1495 CD ARG A 94 6.695 6.531 9.958 1.00 0.00 C ATOM 1496 NE ARG A 94 7.589 7.676 9.869 1.00 0.00 N ATOM 1497 CZ ARG A 94 7.370 8.830 10.491 1.00 0.00 C ATOM 1498 NH1 ARG A 94 6.261 9.003 11.206 1.00 0.00 N ATOM 1499 NH2 ARG A 94 8.254 9.808 10.394 1.00 0.00 N ATOM 0 H ARG A 94 4.249 2.676 8.612 1.00 0.00 H new ATOM 0 HA ARG A 94 6.082 3.914 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.932 4.878 8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.976 3.888 9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.957 5.056 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.987 5.970 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.663 6.872 9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.796 6.070 10.941 1.00 0.00 H new ATOM 0 HE ARG A 94 8.430 7.588 9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.577 8.249 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.095 9.889 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.102 9.676 9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.088 10.695 10.870 1.00 0.00 H new ATOM 1513 N TRP A 95 7.572 2.078 9.140 1.00 0.00 N ATOM 1514 CA TRP A 95 8.748 1.258 9.445 1.00 0.00 C ATOM 1515 C TRP A 95 10.042 2.069 9.461 1.00 0.00 C ATOM 1516 O TRP A 95 10.320 2.865 8.567 1.00 0.00 O ATOM 1517 CB TRP A 95 8.887 0.071 8.482 1.00 0.00 C ATOM 1518 CG TRP A 95 8.051 -1.109 8.863 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.134 -1.823 10.023 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.023 -1.730 8.081 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.218 -2.844 10.015 1.00 0.00 N ATOM 1522 CE2 TRP A 95 6.522 -2.808 8.834 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.476 -1.475 6.820 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.501 -3.632 8.365 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.462 -2.295 6.358 1.00 0.00 C ATOM 1526 CH2 TRP A 95 4.985 -3.361 7.130 1.00 0.00 C ATOM 0 H TRP A 95 6.965 2.236 9.944 1.00 0.00 H new ATOM 0 HA TRP A 95 8.583 0.871 10.451 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.610 0.394 7.478 1.00 0.00 H new ATOM 0 HB3 TRP A 95 9.933 -0.233 8.442 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.821 -1.615 10.830 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.077 -3.520 10.766 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.838 -0.654 6.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.131 -4.456 8.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.031 -2.110 5.385 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.192 -3.982 6.741 1.00 0.00 H new ATOM 1537 N ARG A 96 10.826 1.856 10.507 1.00 0.00 N ATOM 1538 CA ARG A 96 12.142 2.449 10.621 1.00 0.00 C ATOM 1539 C ARG A 96 13.193 1.435 10.205 1.00 0.00 C ATOM 1540 O ARG A 96 14.236 1.782 9.651 1.00 0.00 O ATOM 1541 CB ARG A 96 12.402 2.886 12.058 1.00 0.00 C ATOM 1542 CG ARG A 96 11.503 4.009 12.544 1.00 0.00 C ATOM 1543 CD ARG A 96 11.776 4.329 14.007 1.00 0.00 C ATOM 1544 NE ARG A 96 13.180 4.673 14.239 1.00 0.00 N ATOM 1545 CZ ARG A 96 13.980 4.030 15.092 1.00 0.00 C ATOM 1546 NH1 ARG A 96 13.529 2.991 15.786 1.00 0.00 N ATOM 1547 NH2 ARG A 96 15.239 4.429 15.238 1.00 0.00 N ATOM 0 H ARG A 96 10.565 1.267 11.298 1.00 0.00 H new ATOM 0 HA ARG A 96 12.193 3.322 9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.276 2.026 12.715 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.441 3.205 12.146 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.666 4.899 11.936 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.458 3.724 12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.143 5.158 14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.506 3.471 14.623 1.00 0.00 H new ATOM 0 HE ARG A 96 13.572 5.455 13.715 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.565 2.679 15.669 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.147 2.505 16.436 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.588 5.222 14.700 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.856 3.942 15.888 1.00 0.00 H new ATOM 1561 N GLY A 97 12.896 0.175 10.482 1.00 0.00 N ATOM 1562 CA GLY A 97 13.809 -0.898 10.161 1.00 0.00 C ATOM 1563 C GLY A 97 13.120 -2.246 10.152 1.00 0.00 C ATOM 1564 O GLY A 97 13.270 -3.033 11.088 1.00 0.00 O ATOM 0 H GLY A 97 12.029 -0.124 10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.256 -0.713 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.622 -0.911 10.887 1.00 0.00 H new ATOM 1568 N TYR A 98 12.349 -2.503 9.103 1.00 0.00 N ATOM 1569 CA TYR A 98 11.684 -3.788 8.939 1.00 0.00 C ATOM 1570 C TYR A 98 12.720 -4.861 8.627 1.00 0.00 C ATOM 1571 O TYR A 98 12.859 -5.841 9.356 1.00 0.00 O ATOM 1572 CB TYR A 98 10.635 -3.700 7.824 1.00 0.00 C ATOM 1573 CG TYR A 98 9.845 -4.971 7.612 1.00 0.00 C ATOM 1574 CD1 TYR A 98 8.984 -5.451 8.593 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.954 -5.689 6.430 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.259 -6.610 8.400 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.232 -6.849 6.229 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.385 -7.305 7.216 1.00 0.00 C ATOM 1579 OH TYR A 98 7.666 -8.461 7.020 1.00 0.00 O ATOM 0 H TYR A 98 12.169 -1.837 8.352 1.00 0.00 H new ATOM 0 HA TYR A 98 11.173 -4.054 9.864 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.943 -2.890 8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.134 -3.436 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 98 8.881 -4.908 9.521 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.615 -5.335 5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.596 -6.970 9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.331 -7.396 5.303 1.00 0.00 H new ATOM 0 HH TYR A 98 6.824 -8.412 7.520 1.00 0.00 H new ATOM 1589 N LEU A 99 13.443 -4.666 7.534 1.00 0.00 N ATOM 1590 CA LEU A 99 14.582 -5.508 7.209 1.00 0.00 C ATOM 1591 C LEU A 99 15.869 -4.743 7.489 1.00 0.00 C ATOM 1592 O LEU A 99 16.891 -5.319 7.869 1.00 0.00 O ATOM 1593 CB LEU A 99 14.525 -5.942 5.742 1.00 0.00 C ATOM 1594 CG LEU A 99 13.307 -6.788 5.355 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.358 -7.147 3.878 1.00 0.00 C ATOM 1596 CD2 LEU A 99 13.237 -8.048 6.206 1.00 0.00 C ATOM 0 H LEU A 99 13.259 -3.928 6.855 1.00 0.00 H new ATOM 0 HA LEU A 99 14.555 -6.405 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.541 -5.050 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.428 -6.508 5.513 1.00 0.00 H new ATOM 0 HG LEU A 99 12.408 -6.200 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.486 -7.748 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.360 -6.235 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.265 -7.716 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.366 -8.635 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.140 -8.640 6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.155 -7.773 7.258 1.00 0.00 H new ATOM 1608 N GLU A 100 15.788 -3.429 7.304 1.00 0.00 N ATOM 1609 CA GLU A 100 16.896 -2.523 7.555 1.00 0.00 C ATOM 1610 C GLU A 100 16.412 -1.098 7.296 1.00 0.00 C ATOM 1611 O GLU A 100 15.273 -0.906 6.859 1.00 0.00 O ATOM 1612 CB GLU A 100 18.086 -2.868 6.656 1.00 0.00 C ATOM 1613 CG GLU A 100 19.427 -2.425 7.217 1.00 0.00 C ATOM 1614 CD GLU A 100 20.588 -2.920 6.386 1.00 0.00 C ATOM 1615 OE1 GLU A 100 20.856 -4.139 6.400 1.00 0.00 O ATOM 1616 OE2 GLU A 100 21.228 -2.096 5.701 1.00 0.00 O ATOM 0 H GLU A 100 14.943 -2.963 6.973 1.00 0.00 H new ATOM 0 HA GLU A 100 17.232 -2.617 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 100 18.108 -3.946 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.939 -2.404 5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.456 -1.336 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 100 19.531 -2.793 8.238 1.00 0.00 H new ATOM 1623 N HIS A 101 17.257 -0.109 7.546 1.00 0.00 N ATOM 1624 CA HIS A 101 16.859 1.287 7.372 1.00 0.00 C ATOM 1625 C HIS A 101 17.142 1.766 5.949 1.00 0.00 C ATOM 1626 O HIS A 101 17.909 2.710 5.726 1.00 0.00 O ATOM 1627 CB HIS A 101 17.528 2.204 8.414 1.00 0.00 C ATOM 1628 CG HIS A 101 19.023 2.099 8.490 1.00 0.00 C ATOM 1629 ND1 HIS A 101 19.818 1.098 8.933 1.00 0.00 N flip ATOM 1630 CD2 HIS A 101 19.870 3.119 8.122 1.00 0.00 C flip ATOM 1631 CE1 HIS A 101 21.115 1.524 8.825 1.00 0.00 C flip ATOM 1632 NE2 HIS A 101 21.118 2.748 8.330 1.00 0.00 N flip ATOM 0 H HIS A 101 18.216 -0.241 7.868 1.00 0.00 H new ATOM 0 HA HIS A 101 15.783 1.343 7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 101 17.263 3.237 8.189 1.00 0.00 H new ATOM 0 HB3 HIS A 101 17.113 1.975 9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 101 19.561 4.074 7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 101 21.990 0.954 9.099 1.00 0.00 H new ATOM 0 HE2 HIS A 101 21.947 3.312 8.140 1.00 0.00 H new ATOM 1641 N HIS A 102 16.511 1.099 4.990 1.00 0.00 N ATOM 1642 CA HIS A 102 16.645 1.453 3.585 1.00 0.00 C ATOM 1643 C HIS A 102 15.978 2.804 3.340 1.00 0.00 C ATOM 1644 O HIS A 102 14.771 2.949 3.511 1.00 0.00 O ATOM 1645 CB HIS A 102 16.009 0.372 2.703 1.00 0.00 C ATOM 1646 CG HIS A 102 16.506 0.364 1.288 1.00 0.00 C ATOM 1647 ND1 HIS A 102 17.252 -0.666 0.761 1.00 0.00 N ATOM 1648 CD2 HIS A 102 16.357 1.263 0.288 1.00 0.00 C ATOM 1649 CE1 HIS A 102 17.540 -0.401 -0.496 1.00 0.00 C ATOM 1650 NE2 HIS A 102 17.010 0.766 -0.812 1.00 0.00 N ATOM 0 H HIS A 102 15.897 0.303 5.164 1.00 0.00 H new ATOM 0 HA HIS A 102 17.702 1.524 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 102 16.200 -0.604 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 102 14.928 0.514 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 102 15.822 2.200 0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 102 18.114 -1.033 -1.158 1.00 0.00 H new ATOM 0 HE2 HIS A 102 17.075 1.222 -1.722 1.00 0.00 H new ATOM 1659 N HIS A 103 16.773 3.788 2.951 1.00 0.00 N ATOM 1660 CA HIS A 103 16.290 5.160 2.844 1.00 0.00 C ATOM 1661 C HIS A 103 16.428 5.699 1.421 1.00 0.00 C ATOM 1662 O HIS A 103 16.148 4.983 0.460 1.00 0.00 O ATOM 1663 CB HIS A 103 17.016 6.058 3.862 1.00 0.00 C ATOM 1664 CG HIS A 103 18.514 5.922 3.880 1.00 0.00 C ATOM 1665 ND1 HIS A 103 19.167 4.907 4.544 1.00 0.00 N ATOM 1666 CD2 HIS A 103 19.482 6.692 3.333 1.00 0.00 C ATOM 1667 CE1 HIS A 103 20.470 5.062 4.406 1.00 0.00 C ATOM 1668 NE2 HIS A 103 20.692 6.139 3.676 1.00 0.00 N ATOM 0 H HIS A 103 17.755 3.665 2.704 1.00 0.00 H new ATOM 0 HA HIS A 103 15.226 5.165 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 103 16.764 7.097 3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.634 5.833 4.858 1.00 0.00 H new ATOM 0 HD1 HIS A 103 18.714 4.154 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 103 19.331 7.579 2.736 1.00 0.00 H new ATOM 0 HE1 HIS A 103 21.229 4.415 4.821 1.00 0.00 H new ATOM 1677 N HIS A 104 16.815 6.972 1.303 1.00 0.00 N ATOM 1678 CA HIS A 104 16.935 7.662 0.013 1.00 0.00 C ATOM 1679 C HIS A 104 17.994 7.021 -0.894 1.00 0.00 C ATOM 1680 O HIS A 104 19.106 7.532 -1.031 1.00 0.00 O ATOM 1681 CB HIS A 104 17.249 9.145 0.271 1.00 0.00 C ATOM 1682 CG HIS A 104 17.457 9.995 -0.953 1.00 0.00 C ATOM 1683 ND1 HIS A 104 18.367 11.031 -0.987 1.00 0.00 N ATOM 1684 CD2 HIS A 104 16.865 9.982 -2.170 1.00 0.00 C ATOM 1685 CE1 HIS A 104 18.326 11.613 -2.169 1.00 0.00 C ATOM 1686 NE2 HIS A 104 17.425 10.997 -2.905 1.00 0.00 N ATOM 0 H HIS A 104 17.055 7.557 2.103 1.00 0.00 H new ATOM 0 HA HIS A 104 15.987 7.573 -0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.433 9.573 0.853 1.00 0.00 H new ATOM 0 HB3 HIS A 104 18.146 9.205 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 104 16.096 9.300 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.929 12.453 -2.481 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.182 11.236 -3.867 1.00 0.00 H new ATOM 1695 N HIS A 105 17.629 5.886 -1.483 1.00 0.00 N ATOM 1696 CA HIS A 105 18.452 5.181 -2.462 1.00 0.00 C ATOM 1697 C HIS A 105 17.775 3.871 -2.836 1.00 0.00 C ATOM 1698 O HIS A 105 17.974 2.852 -2.179 1.00 0.00 O ATOM 1699 CB HIS A 105 19.857 4.884 -1.925 1.00 0.00 C ATOM 1700 CG HIS A 105 20.950 5.385 -2.818 1.00 0.00 C ATOM 1701 ND1 HIS A 105 21.246 4.826 -4.043 1.00 0.00 N ATOM 1702 CD2 HIS A 105 21.810 6.419 -2.663 1.00 0.00 C ATOM 1703 CE1 HIS A 105 22.239 5.494 -4.600 1.00 0.00 C ATOM 1704 NE2 HIS A 105 22.600 6.467 -3.785 1.00 0.00 N ATOM 0 H HIS A 105 16.741 5.423 -1.291 1.00 0.00 H new ATOM 0 HA HIS A 105 18.556 5.826 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.965 5.338 -0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.969 3.808 -1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.865 7.084 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 105 22.682 5.280 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 105 23.343 7.143 -3.960 1.00 0.00 H new ATOM 1713 N HIS A 106 16.947 3.905 -3.863 1.00 0.00 N ATOM 1714 CA HIS A 106 16.217 2.715 -4.284 1.00 0.00 C ATOM 1715 C HIS A 106 17.060 1.894 -5.245 1.00 0.00 C ATOM 1716 O HIS A 106 17.343 2.386 -6.354 1.00 0.00 O ATOM 1717 CB HIS A 106 14.880 3.084 -4.933 1.00 0.00 C ATOM 1718 CG HIS A 106 13.873 3.635 -3.968 1.00 0.00 C ATOM 1719 ND1 HIS A 106 12.926 2.857 -3.334 1.00 0.00 N ATOM 1720 CD2 HIS A 106 13.670 4.898 -3.524 1.00 0.00 C ATOM 1721 CE1 HIS A 106 12.190 3.615 -2.546 1.00 0.00 C ATOM 1722 NE2 HIS A 106 12.619 4.856 -2.642 1.00 0.00 N ATOM 1723 OXT HIS A 106 17.447 0.765 -4.884 1.00 0.00 O ATOM 0 H HIS A 106 16.761 4.738 -4.422 1.00 0.00 H new ATOM 0 HA HIS A 106 16.006 2.118 -3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 106 15.058 3.819 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 106 14.463 2.199 -5.414 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.231 5.775 -3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.373 3.276 -1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 106 12.233 5.657 -2.142 1.00 0.00 H new TER 1732 HIS A 106