USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 491 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 NoAdj : A 8 ASNHD21 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 8 ASNHD22 : A 8 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD21 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 14 ASNHD22 : A 14 ASN OD1 : A 101 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD21 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 41 ASNHD22 : A 41 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Set 1.2: A 62 THR OG1 : rot 150:sc= 0 USER MOD Set 2.1: A 0 SER OG : rot -10:sc= 0.884 USER MOD Set 2.2: A -3 GLY N :NH3+ -179:sc= 1.27 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 2 THR OG1 : rot -88:sc= 0.685 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -155:sc= -0.824 (180deg=-1.12) USER MOD Single : A 21 MET CE :methyl -122:sc= -1.8 (180deg=-2.51) USER MOD Single : A 23 GLN : amide:sc= -0.783 K(o=-0.78,f=-2.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0525 (180deg=-0.33) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 39:sc= 0.0299 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.0975 X(o=0.098,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.9) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.26) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 80:sc= 0.628 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00175 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.632 10.399 12.743 1.00 0.00 N ATOM 2 CA GLY A -3 0.386 10.459 11.969 1.00 0.00 C ATOM 3 C GLY A -3 -0.569 9.406 12.437 1.00 0.00 C ATOM 4 O GLY A -3 -0.403 8.885 13.539 1.00 0.00 O ATOM 0 H1 GLY A -3 2.278 11.146 12.419 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.421 10.537 13.752 1.00 0.00 H new ATOM 0 H3 GLY A -3 2.081 9.471 12.607 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -0.068 11.444 12.075 1.00 0.00 H new ATOM 0 HA3 GLY A -3 0.601 10.319 10.910 1.00 0.00 H new ATOM 10 N SER A -2 -1.549 9.074 11.615 1.00 0.00 N ATOM 11 CA SER A -2 -2.538 8.058 11.950 1.00 0.00 C ATOM 12 C SER A -2 -1.874 6.678 11.978 1.00 0.00 C ATOM 13 O SER A -2 -2.113 5.862 12.881 1.00 0.00 O ATOM 14 CB SER A -2 -3.659 8.091 10.914 1.00 0.00 C ATOM 15 OG SER A -2 -4.173 9.411 10.781 1.00 0.00 O ATOM 0 H SER A -2 -1.684 9.499 10.697 1.00 0.00 H new ATOM 0 HA SER A -2 -2.957 8.260 12.936 1.00 0.00 H new ATOM 0 HB2 SER A -2 -3.284 7.741 9.952 1.00 0.00 H new ATOM 0 HB3 SER A -2 -4.458 7.411 11.211 1.00 0.00 H new ATOM 0 HG SER A -2 -4.890 9.417 10.112 1.00 0.00 H new ATOM 21 N ALA A -1 -1.019 6.446 11.009 1.00 0.00 N ATOM 22 CA ALA A -1 -0.278 5.230 10.909 1.00 0.00 C ATOM 23 C ALA A -1 1.196 5.541 11.086 1.00 0.00 C ATOM 24 O ALA A -1 1.831 6.132 10.209 1.00 0.00 O ATOM 25 CB ALA A -1 -0.544 4.554 9.568 1.00 0.00 C ATOM 0 H ALA A -1 -0.823 7.112 10.262 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.592 4.538 11.690 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.028 3.628 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -1.607 4.330 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -0.244 5.220 8.759 1.00 0.00 H new ATOM 31 N SER A 0 1.712 5.241 12.249 1.00 0.00 N ATOM 32 CA SER A 0 3.100 5.454 12.542 1.00 0.00 C ATOM 33 C SER A 0 3.686 4.202 13.162 1.00 0.00 C ATOM 34 O SER A 0 3.668 4.031 14.370 1.00 0.00 O ATOM 35 CB SER A 0 3.280 6.678 13.438 1.00 0.00 C ATOM 36 OG SER A 0 2.715 7.825 12.805 1.00 0.00 O ATOM 0 H SER A 0 1.178 4.841 13.020 1.00 0.00 H new ATOM 0 HA SER A 0 3.641 5.657 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 0 2.800 6.509 14.402 1.00 0.00 H new ATOM 0 HB3 SER A 0 4.339 6.844 13.635 1.00 0.00 H new ATOM 0 HG SER A 0 2.480 7.605 11.879 1.00 0.00 H new ATOM 42 N ASN A 1 4.083 3.306 12.269 1.00 0.00 N ATOM 43 CA ASN A 1 4.697 1.979 12.512 1.00 0.00 C ATOM 44 C ASN A 1 4.438 1.228 11.247 1.00 0.00 C ATOM 45 O ASN A 1 5.304 0.568 10.670 1.00 0.00 O ATOM 46 CB ASN A 1 4.040 1.193 13.666 1.00 0.00 C ATOM 47 CG ASN A 1 4.740 -0.127 13.952 1.00 0.00 C ATOM 48 OD1 ASN A 1 5.955 -0.260 13.788 1.00 0.00 O ATOM 49 ND2 ASN A 1 3.988 -1.104 14.351 1.00 0.00 N ATOM 0 H ASN A 1 3.982 3.489 11.271 1.00 0.00 H new ATOM 0 HA ASN A 1 5.746 2.100 12.784 1.00 0.00 H new ATOM 0 HB2 ASN A 1 4.047 1.806 14.567 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.996 1.000 13.420 1.00 0.00 H new ATOM 0 HD21 ASN A 1 4.398 -2.019 14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.986 -0.958 14.476 1.00 0.00 H new ATOM 56 N THR A 2 3.223 1.397 10.820 1.00 0.00 N ATOM 57 CA THR A 2 2.711 0.894 9.613 1.00 0.00 C ATOM 58 C THR A 2 2.803 1.996 8.565 1.00 0.00 C ATOM 59 O THR A 2 2.381 3.130 8.803 1.00 0.00 O ATOM 60 CB THR A 2 1.244 0.498 9.840 1.00 0.00 C ATOM 61 OG1 THR A 2 1.181 -0.637 10.710 1.00 0.00 O ATOM 62 CG2 THR A 2 0.514 0.214 8.547 1.00 0.00 C ATOM 0 H THR A 2 2.531 1.926 11.351 1.00 0.00 H new ATOM 0 HA THR A 2 3.272 0.022 9.275 1.00 0.00 H new ATOM 0 HB THR A 2 0.742 1.347 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.239 -1.459 10.180 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.518 -0.061 8.765 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.527 1.104 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.006 -0.606 8.024 1.00 0.00 H new ATOM 70 N ILE A 3 3.373 1.668 7.456 1.00 0.00 N ATOM 71 CA ILE A 3 3.527 2.578 6.364 1.00 0.00 C ATOM 72 C ILE A 3 2.740 2.043 5.164 1.00 0.00 C ATOM 73 O ILE A 3 3.107 1.041 4.563 1.00 0.00 O ATOM 74 CB ILE A 3 5.042 2.801 6.054 1.00 0.00 C ATOM 75 CG1 ILE A 3 5.268 3.556 4.721 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.837 1.490 6.143 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.727 3.835 4.397 1.00 0.00 C ATOM 0 H ILE A 3 3.755 0.740 7.276 1.00 0.00 H new ATOM 0 HA ILE A 3 3.122 3.558 6.618 1.00 0.00 H new ATOM 0 HB ILE A 3 5.436 3.456 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.833 2.973 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.729 4.503 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.886 1.685 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.749 1.079 7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.441 0.775 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.794 4.366 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.165 4.446 5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.270 2.893 4.324 1.00 0.00 H new ATOM 89 N LEU A 4 1.611 2.681 4.883 1.00 0.00 N ATOM 90 CA LEU A 4 0.704 2.252 3.834 1.00 0.00 C ATOM 91 C LEU A 4 1.366 2.307 2.471 1.00 0.00 C ATOM 92 O LEU A 4 1.700 3.394 1.960 1.00 0.00 O ATOM 93 CB LEU A 4 -0.564 3.102 3.840 1.00 0.00 C ATOM 94 CG LEU A 4 -1.325 3.197 5.169 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.599 3.996 4.997 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.616 1.820 5.741 1.00 0.00 C ATOM 0 H LEU A 4 1.300 3.515 5.381 1.00 0.00 H new ATOM 0 HA LEU A 4 0.435 1.215 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.298 4.112 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.244 2.704 3.087 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.689 3.719 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.125 4.052 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.354 5.002 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.237 3.509 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.156 1.924 6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.223 1.254 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.678 1.293 5.917 1.00 0.00 H new ATOM 108 N GLY A 5 1.552 1.149 1.898 1.00 0.00 N ATOM 109 CA GLY A 5 2.205 1.047 0.633 1.00 0.00 C ATOM 110 C GLY A 5 3.525 0.337 0.764 1.00 0.00 C ATOM 111 O GLY A 5 4.095 -0.114 -0.212 1.00 0.00 O ATOM 0 H GLY A 5 1.255 0.258 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.566 0.509 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.363 2.043 0.220 1.00 0.00 H new ATOM 115 N ASP A 6 4.011 0.240 1.971 1.00 0.00 N ATOM 116 CA ASP A 6 5.251 -0.424 2.226 1.00 0.00 C ATOM 117 C ASP A 6 5.020 -1.605 3.149 1.00 0.00 C ATOM 118 O ASP A 6 5.059 -1.513 4.368 1.00 0.00 O ATOM 119 CB ASP A 6 6.299 0.551 2.727 1.00 0.00 C ATOM 120 CG ASP A 6 7.597 -0.097 3.066 1.00 0.00 C ATOM 121 OD1 ASP A 6 8.052 -0.969 2.317 1.00 0.00 O ATOM 122 OD2 ASP A 6 8.219 0.289 4.043 1.00 0.00 O ATOM 0 H ASP A 6 3.556 0.620 2.801 1.00 0.00 H new ATOM 0 HA ASP A 6 5.653 -0.826 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.469 1.312 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.916 1.063 3.610 1.00 0.00 H new ATOM 127 N LEU A 7 4.720 -2.691 2.511 1.00 0.00 N ATOM 128 CA LEU A 7 4.293 -3.932 3.109 1.00 0.00 C ATOM 129 C LEU A 7 5.454 -4.711 3.671 1.00 0.00 C ATOM 130 O LEU A 7 5.338 -5.362 4.711 1.00 0.00 O ATOM 131 CB LEU A 7 3.566 -4.793 2.059 1.00 0.00 C ATOM 132 CG LEU A 7 2.151 -4.364 1.585 1.00 0.00 C ATOM 133 CD1 LEU A 7 2.111 -2.994 0.945 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.639 -5.364 0.608 1.00 0.00 C ATOM 0 H LEU A 7 4.767 -2.746 1.494 1.00 0.00 H new ATOM 0 HA LEU A 7 3.619 -3.688 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.206 -4.848 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.487 -5.804 2.459 1.00 0.00 H new ATOM 0 HG LEU A 7 1.527 -4.315 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.090 -2.765 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.452 -2.247 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.762 -2.982 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.645 -5.068 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.312 -5.414 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.584 -6.343 1.084 1.00 0.00 H new ATOM 146 N ASN A 8 6.576 -4.657 2.975 1.00 0.00 N ATOM 147 CA ASN A 8 7.768 -5.396 3.388 1.00 0.00 C ATOM 148 C ASN A 8 8.591 -4.574 4.360 1.00 0.00 C ATOM 149 O ASN A 8 9.596 -5.054 4.895 1.00 0.00 O ATOM 150 CB ASN A 8 8.614 -5.864 2.172 1.00 0.00 C ATOM 151 CG ASN A 8 9.302 -4.745 1.416 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.858 -3.616 1.405 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.332 -5.062 0.715 1.00 0.00 N ATOM 0 H ASN A 8 6.692 -4.111 2.121 1.00 0.00 H new ATOM 0 HA ASN A 8 7.439 -6.299 3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.370 -6.568 2.521 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.967 -6.407 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.791 -4.359 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.690 -6.017 0.738 1.00 0.00 H new ATOM 160 N ASP A 9 8.137 -3.340 4.581 1.00 0.00 N ATOM 161 CA ASP A 9 8.713 -2.394 5.540 1.00 0.00 C ATOM 162 C ASP A 9 10.187 -2.122 5.238 1.00 0.00 C ATOM 163 O ASP A 9 11.093 -2.512 5.974 1.00 0.00 O ATOM 164 CB ASP A 9 8.451 -2.833 7.004 1.00 0.00 C ATOM 165 CG ASP A 9 8.899 -1.826 8.058 1.00 0.00 C ATOM 166 OD1 ASP A 9 9.810 -2.132 8.856 1.00 0.00 O ATOM 167 OD2 ASP A 9 8.340 -0.705 8.124 1.00 0.00 O ATOM 0 H ASP A 9 7.333 -2.958 4.082 1.00 0.00 H new ATOM 0 HA ASP A 9 8.202 -1.439 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.384 -3.019 7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.963 -3.779 7.183 1.00 0.00 H new ATOM 172 N ASP A 10 10.415 -1.563 4.081 1.00 0.00 N ATOM 173 CA ASP A 10 11.758 -1.223 3.641 1.00 0.00 C ATOM 174 C ASP A 10 11.912 0.284 3.493 1.00 0.00 C ATOM 175 O ASP A 10 13.014 0.799 3.250 1.00 0.00 O ATOM 176 CB ASP A 10 12.196 -1.996 2.359 1.00 0.00 C ATOM 177 CG ASP A 10 11.361 -1.753 1.104 1.00 0.00 C ATOM 178 OD1 ASP A 10 11.434 -2.579 0.169 1.00 0.00 O ATOM 179 OD2 ASP A 10 10.561 -0.810 1.040 1.00 0.00 O ATOM 0 H ASP A 10 9.683 -1.327 3.411 1.00 0.00 H new ATOM 0 HA ASP A 10 12.444 -1.553 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.230 -1.733 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.178 -3.063 2.580 1.00 0.00 H new ATOM 184 N GLY A 11 10.813 0.989 3.655 1.00 0.00 N ATOM 185 CA GLY A 11 10.829 2.423 3.655 1.00 0.00 C ATOM 186 C GLY A 11 10.377 3.053 2.381 1.00 0.00 C ATOM 187 O GLY A 11 10.427 4.282 2.247 1.00 0.00 O ATOM 0 H GLY A 11 9.889 0.579 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.194 2.780 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.842 2.761 3.872 1.00 0.00 H new ATOM 191 N VAL A 12 9.947 2.263 1.439 1.00 0.00 N ATOM 192 CA VAL A 12 9.569 2.809 0.166 1.00 0.00 C ATOM 193 C VAL A 12 8.578 1.893 -0.576 1.00 0.00 C ATOM 194 O VAL A 12 8.569 0.675 -0.371 1.00 0.00 O ATOM 195 CB VAL A 12 10.858 3.086 -0.669 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.656 1.812 -0.916 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.571 3.850 -1.951 1.00 0.00 C ATOM 0 H VAL A 12 9.850 1.251 1.525 1.00 0.00 H new ATOM 0 HA VAL A 12 9.043 3.751 0.320 1.00 0.00 H new ATOM 0 HB VAL A 12 11.487 3.741 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.545 2.047 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.953 1.378 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.041 1.098 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.503 4.015 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.887 3.273 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.117 4.811 -1.708 1.00 0.00 H new ATOM 207 N VAL A 13 7.724 2.493 -1.376 1.00 0.00 N ATOM 208 CA VAL A 13 6.778 1.785 -2.201 1.00 0.00 C ATOM 209 C VAL A 13 7.487 1.225 -3.451 1.00 0.00 C ATOM 210 O VAL A 13 7.795 1.937 -4.395 1.00 0.00 O ATOM 211 CB VAL A 13 5.560 2.693 -2.576 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.711 2.959 -1.346 1.00 0.00 C ATOM 213 CG2 VAL A 13 6.006 4.037 -3.168 1.00 0.00 C ATOM 0 H VAL A 13 7.669 3.507 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 13 6.377 0.944 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 13 4.982 2.159 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.866 3.592 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.343 2.014 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.313 3.463 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.129 4.635 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.617 4.571 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.590 3.861 -4.071 1.00 0.00 H new ATOM 223 N ASN A 14 7.842 -0.020 -3.383 1.00 0.00 N ATOM 224 CA ASN A 14 8.585 -0.667 -4.441 1.00 0.00 C ATOM 225 C ASN A 14 7.905 -1.928 -4.922 1.00 0.00 C ATOM 226 O ASN A 14 6.908 -2.356 -4.344 1.00 0.00 O ATOM 227 CB ASN A 14 10.064 -0.883 -4.050 1.00 0.00 C ATOM 228 CG ASN A 14 10.328 -1.738 -2.828 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.483 -1.938 -1.957 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.527 -2.178 -2.708 1.00 0.00 N ATOM 0 H ASN A 14 7.628 -0.627 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 14 8.593 0.009 -5.296 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.577 -1.335 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.519 0.094 -3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.796 -2.706 -1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.211 -2.000 -3.443 1.00 0.00 H new ATOM 237 N GLY A 15 8.472 -2.559 -5.949 1.00 0.00 N ATOM 238 CA GLY A 15 7.871 -3.761 -6.550 1.00 0.00 C ATOM 239 C GLY A 15 7.788 -4.942 -5.600 1.00 0.00 C ATOM 240 O GLY A 15 6.975 -5.837 -5.784 1.00 0.00 O ATOM 0 H GLY A 15 9.345 -2.263 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.868 -3.518 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.454 -4.050 -7.424 1.00 0.00 H new ATOM 244 N ARG A 16 8.622 -4.916 -4.571 1.00 0.00 N ATOM 245 CA ARG A 16 8.652 -5.941 -3.533 1.00 0.00 C ATOM 246 C ARG A 16 7.339 -5.975 -2.775 1.00 0.00 C ATOM 247 O ARG A 16 6.896 -7.025 -2.329 1.00 0.00 O ATOM 248 CB ARG A 16 9.743 -5.632 -2.540 1.00 0.00 C ATOM 249 CG ARG A 16 11.134 -5.619 -3.107 1.00 0.00 C ATOM 250 CD ARG A 16 11.570 -6.996 -3.548 1.00 0.00 C ATOM 251 NE ARG A 16 12.966 -7.004 -3.975 1.00 0.00 N ATOM 252 CZ ARG A 16 13.718 -8.095 -4.098 1.00 0.00 C ATOM 253 NH1 ARG A 16 13.191 -9.302 -3.909 1.00 0.00 N ATOM 254 NH2 ARG A 16 14.991 -7.979 -4.420 1.00 0.00 N ATOM 0 H ARG A 16 9.307 -4.173 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 16 8.828 -6.901 -4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.541 -4.659 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.701 -6.368 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.175 -4.935 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.829 -5.240 -2.358 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.435 -7.701 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.936 -7.335 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 16 13.397 -6.106 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.204 -9.396 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.774 -10.134 -4.005 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.396 -7.056 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.571 -8.813 -4.515 1.00 0.00 H new ATOM 268 N ASP A 17 6.717 -4.816 -2.652 1.00 0.00 N ATOM 269 CA ASP A 17 5.474 -4.687 -1.928 1.00 0.00 C ATOM 270 C ASP A 17 4.372 -5.367 -2.680 1.00 0.00 C ATOM 271 O ASP A 17 3.530 -6.018 -2.087 1.00 0.00 O ATOM 272 CB ASP A 17 5.133 -3.229 -1.689 1.00 0.00 C ATOM 273 CG ASP A 17 6.174 -2.528 -0.863 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.416 -2.898 0.290 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.839 -1.615 -1.345 1.00 0.00 O ATOM 0 H ASP A 17 7.061 -3.943 -3.051 1.00 0.00 H new ATOM 0 HA ASP A 17 5.589 -5.167 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.030 -2.720 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.168 -3.161 -1.187 1.00 0.00 H new ATOM 280 N ILE A 18 4.410 -5.226 -4.003 1.00 0.00 N ATOM 281 CA ILE A 18 3.482 -5.894 -4.936 1.00 0.00 C ATOM 282 C ILE A 18 3.465 -7.409 -4.683 1.00 0.00 C ATOM 283 O ILE A 18 2.401 -8.044 -4.662 1.00 0.00 O ATOM 284 CB ILE A 18 3.878 -5.603 -6.444 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.498 -4.186 -6.891 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.254 -6.611 -7.406 1.00 0.00 C ATOM 287 CD1 ILE A 18 4.098 -3.060 -6.120 1.00 0.00 C ATOM 0 H ILE A 18 5.096 -4.635 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 18 2.485 -5.491 -4.759 1.00 0.00 H new ATOM 0 HB ILE A 18 4.963 -5.699 -6.479 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.781 -4.071 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.413 -4.093 -6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.552 -6.373 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.595 -7.615 -7.153 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.168 -6.566 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.753 -2.112 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.796 -3.133 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.185 -3.111 -6.188 1.00 0.00 H new ATOM 299 N VAL A 19 4.645 -7.950 -4.471 1.00 0.00 N ATOM 300 CA VAL A 19 4.836 -9.363 -4.183 1.00 0.00 C ATOM 301 C VAL A 19 4.095 -9.734 -2.906 1.00 0.00 C ATOM 302 O VAL A 19 3.249 -10.620 -2.911 1.00 0.00 O ATOM 303 CB VAL A 19 6.344 -9.690 -4.004 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.589 -11.189 -3.871 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.159 -9.095 -5.139 1.00 0.00 C ATOM 0 H VAL A 19 5.514 -7.417 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 19 4.444 -9.937 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 19 6.673 -9.232 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.656 -11.374 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.052 -11.570 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.234 -11.697 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.212 -9.335 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.818 -9.510 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.032 -8.012 -5.150 1.00 0.00 H new ATOM 315 N MET A 20 4.367 -8.975 -1.847 1.00 0.00 N ATOM 316 CA MET A 20 3.803 -9.210 -0.501 1.00 0.00 C ATOM 317 C MET A 20 2.275 -9.080 -0.526 1.00 0.00 C ATOM 318 O MET A 20 1.556 -9.830 0.146 1.00 0.00 O ATOM 319 CB MET A 20 4.350 -8.179 0.477 1.00 0.00 C ATOM 320 CG MET A 20 5.862 -8.019 0.469 1.00 0.00 C ATOM 321 SD MET A 20 6.759 -9.383 1.225 1.00 0.00 S ATOM 322 CE MET A 20 6.428 -9.085 2.964 1.00 0.00 C ATOM 0 H MET A 20 4.990 -8.169 -1.890 1.00 0.00 H new ATOM 0 HA MET A 20 4.082 -10.217 -0.190 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.897 -7.213 0.253 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.035 -8.453 1.484 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.198 -7.907 -0.562 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.120 -7.097 0.990 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.223 -9.525 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.386 -8.011 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.474 -9.537 3.235 1.00 0.00 H new ATOM 332 N MET A 21 1.817 -8.104 -1.303 1.00 0.00 N ATOM 333 CA MET A 21 0.400 -7.796 -1.536 1.00 0.00 C ATOM 334 C MET A 21 -0.300 -9.043 -2.023 1.00 0.00 C ATOM 335 O MET A 21 -1.226 -9.541 -1.387 1.00 0.00 O ATOM 336 CB MET A 21 0.339 -6.724 -2.637 1.00 0.00 C ATOM 337 CG MET A 21 -1.027 -6.121 -3.017 1.00 0.00 C ATOM 338 SD MET A 21 -1.584 -4.721 -2.006 1.00 0.00 S ATOM 339 CE MET A 21 -2.012 -5.453 -0.454 1.00 0.00 C ATOM 0 H MET A 21 2.443 -7.478 -1.810 1.00 0.00 H new ATOM 0 HA MET A 21 -0.080 -7.445 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.988 -5.903 -2.333 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.771 -7.155 -3.540 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.983 -5.798 -4.057 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.779 -6.908 -2.959 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.055 -5.235 -0.224 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.871 -6.532 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.374 -5.044 0.330 1.00 0.00 H new ATOM 349 N ARG A 22 0.230 -9.574 -3.108 1.00 0.00 N ATOM 350 CA ARG A 22 -0.295 -10.737 -3.785 1.00 0.00 C ATOM 351 C ARG A 22 -0.244 -11.992 -2.928 1.00 0.00 C ATOM 352 O ARG A 22 -1.127 -12.826 -3.025 1.00 0.00 O ATOM 353 CB ARG A 22 0.438 -10.933 -5.098 1.00 0.00 C ATOM 354 CG ARG A 22 0.023 -9.952 -6.175 1.00 0.00 C ATOM 355 CD ARG A 22 0.976 -10.011 -7.345 1.00 0.00 C ATOM 356 NE ARG A 22 0.493 -9.280 -8.526 1.00 0.00 N ATOM 357 CZ ARG A 22 1.258 -8.930 -9.574 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.557 -9.219 -9.573 1.00 0.00 N ATOM 359 NH2 ARG A 22 0.723 -8.298 -10.612 1.00 0.00 N ATOM 0 H ARG A 22 1.064 -9.193 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.351 -10.558 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.510 -10.837 -4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.262 -11.948 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.989 -10.180 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.003 -8.942 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.939 -9.601 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.144 -11.053 -7.615 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.493 -9.020 -8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.971 -9.705 -8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.139 -8.954 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.273 -8.076 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.308 -8.034 -11.405 1.00 0.00 H new ATOM 373 N GLN A 23 0.783 -12.108 -2.088 1.00 0.00 N ATOM 374 CA GLN A 23 0.919 -13.240 -1.171 1.00 0.00 C ATOM 375 C GLN A 23 -0.273 -13.308 -0.241 1.00 0.00 C ATOM 376 O GLN A 23 -1.003 -14.295 -0.209 1.00 0.00 O ATOM 377 CB GLN A 23 2.160 -13.086 -0.307 1.00 0.00 C ATOM 378 CG GLN A 23 3.453 -13.017 -1.069 1.00 0.00 C ATOM 379 CD GLN A 23 3.754 -14.326 -1.756 1.00 0.00 C ATOM 380 OE1 GLN A 23 3.436 -15.387 -1.251 1.00 0.00 O ATOM 381 NE2 GLN A 23 4.294 -14.279 -2.921 1.00 0.00 N ATOM 0 H GLN A 23 1.539 -11.426 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 23 0.989 -14.144 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.059 -12.181 0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.208 -13.924 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.399 -12.219 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.266 -12.766 -0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.553 -13.380 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.463 -15.141 -3.440 1.00 0.00 H new ATOM 390 N TYR A 24 -0.490 -12.229 0.477 1.00 0.00 N ATOM 391 CA TYR A 24 -1.532 -12.163 1.468 1.00 0.00 C ATOM 392 C TYR A 24 -2.910 -12.241 0.817 1.00 0.00 C ATOM 393 O TYR A 24 -3.814 -12.897 1.332 1.00 0.00 O ATOM 394 CB TYR A 24 -1.386 -10.890 2.247 1.00 0.00 C ATOM 395 CG TYR A 24 -2.258 -10.822 3.465 1.00 0.00 C ATOM 396 CD1 TYR A 24 -1.795 -11.256 4.688 1.00 0.00 C ATOM 397 CD2 TYR A 24 -3.543 -10.324 3.388 1.00 0.00 C ATOM 398 CE1 TYR A 24 -2.591 -11.196 5.799 1.00 0.00 C ATOM 399 CE2 TYR A 24 -4.344 -10.260 4.482 1.00 0.00 C ATOM 400 CZ TYR A 24 -3.869 -10.696 5.695 1.00 0.00 C ATOM 401 OH TYR A 24 -4.666 -10.629 6.814 1.00 0.00 O ATOM 0 H TYR A 24 0.055 -11.371 0.387 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.439 -13.014 2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.345 -10.778 2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.621 -10.048 1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.792 -11.648 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.919 -9.978 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.218 -11.539 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.347 -9.869 4.399 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.538 -10.251 6.573 1.00 0.00 H new ATOM 411 N LEU A 25 -3.054 -11.550 -0.291 1.00 0.00 N ATOM 412 CA LEU A 25 -4.294 -11.586 -1.115 1.00 0.00 C ATOM 413 C LEU A 25 -4.636 -13.009 -1.565 1.00 0.00 C ATOM 414 O LEU A 25 -5.806 -13.369 -1.673 1.00 0.00 O ATOM 415 CB LEU A 25 -4.197 -10.670 -2.344 1.00 0.00 C ATOM 416 CG LEU A 25 -4.192 -9.160 -2.080 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.963 -8.398 -3.366 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.499 -8.710 -1.459 1.00 0.00 C ATOM 0 H LEU A 25 -2.329 -10.940 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.094 -11.219 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.286 -10.923 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.034 -10.897 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.380 -8.951 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.963 -7.328 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.002 -8.686 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.759 -8.631 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.467 -7.635 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.322 -8.943 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.649 -9.228 -0.512 1.00 0.00 H new ATOM 430 N ALA A 26 -3.616 -13.807 -1.801 1.00 0.00 N ATOM 431 CA ALA A 26 -3.791 -15.208 -2.191 1.00 0.00 C ATOM 432 C ALA A 26 -4.043 -16.099 -0.966 1.00 0.00 C ATOM 433 O ALA A 26 -4.232 -17.316 -1.090 1.00 0.00 O ATOM 434 CB ALA A 26 -2.572 -15.703 -2.950 1.00 0.00 C ATOM 0 H ALA A 26 -2.642 -13.513 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.664 -15.266 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.718 -16.746 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.432 -15.100 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.690 -15.619 -2.316 1.00 0.00 H new ATOM 440 N GLY A 27 -4.024 -15.495 0.206 1.00 0.00 N ATOM 441 CA GLY A 27 -4.278 -16.191 1.429 1.00 0.00 C ATOM 442 C GLY A 27 -3.042 -16.820 2.021 1.00 0.00 C ATOM 443 O GLY A 27 -3.137 -17.718 2.869 1.00 0.00 O ATOM 0 H GLY A 27 -3.830 -14.501 0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.707 -15.497 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.023 -16.967 1.250 1.00 0.00 H new ATOM 447 N LYS A 28 -1.884 -16.360 1.598 1.00 0.00 N ATOM 448 CA LYS A 28 -0.632 -16.907 2.080 1.00 0.00 C ATOM 449 C LYS A 28 -0.175 -16.179 3.319 1.00 0.00 C ATOM 450 O LYS A 28 -0.534 -15.021 3.544 1.00 0.00 O ATOM 451 CB LYS A 28 0.451 -16.827 1.002 1.00 0.00 C ATOM 452 CG LYS A 28 0.038 -17.459 -0.297 1.00 0.00 C ATOM 453 CD LYS A 28 1.128 -17.341 -1.315 1.00 0.00 C ATOM 454 CE LYS A 28 0.744 -17.991 -2.627 1.00 0.00 C ATOM 455 NZ LYS A 28 0.513 -19.434 -2.465 1.00 0.00 N ATOM 0 H LYS A 28 -1.783 -15.606 0.919 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.800 -17.955 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.704 -15.781 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.354 -17.316 1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.203 -18.510 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.867 -16.978 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.356 -16.288 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.036 -17.806 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.157 -17.519 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.534 -17.828 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.504 -19.891 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.273 -19.844 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.402 -19.589 -1.995 1.00 0.00 H new ATOM 469 N THR A 29 0.594 -16.856 4.109 1.00 0.00 N ATOM 470 CA THR A 29 1.145 -16.298 5.311 1.00 0.00 C ATOM 471 C THR A 29 2.483 -15.687 4.941 1.00 0.00 C ATOM 472 O THR A 29 3.401 -16.402 4.527 1.00 0.00 O ATOM 473 CB THR A 29 1.357 -17.405 6.354 1.00 0.00 C ATOM 474 OG1 THR A 29 0.150 -18.181 6.458 1.00 0.00 O ATOM 475 CG2 THR A 29 1.691 -16.809 7.721 1.00 0.00 C ATOM 0 H THR A 29 0.863 -17.825 3.939 1.00 0.00 H new ATOM 0 HA THR A 29 0.473 -15.552 5.736 1.00 0.00 H new ATOM 0 HB THR A 29 2.190 -18.033 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.275 -18.892 7.120 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.837 -17.613 8.443 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.604 -16.218 7.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.871 -16.170 8.050 1.00 0.00 H new ATOM 483 N VAL A 30 2.588 -14.392 5.031 1.00 0.00 N ATOM 484 CA VAL A 30 3.784 -13.732 4.610 1.00 0.00 C ATOM 485 C VAL A 30 4.592 -13.390 5.847 1.00 0.00 C ATOM 486 O VAL A 30 4.121 -12.651 6.709 1.00 0.00 O ATOM 487 CB VAL A 30 3.471 -12.444 3.819 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.585 -12.130 2.845 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.128 -12.521 3.106 1.00 0.00 C ATOM 0 H VAL A 30 1.860 -13.776 5.392 1.00 0.00 H new ATOM 0 HA VAL A 30 4.344 -14.393 3.949 1.00 0.00 H new ATOM 0 HB VAL A 30 3.402 -11.630 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.344 -11.219 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.517 -11.989 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.697 -12.956 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.951 -11.593 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.135 -13.356 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.335 -12.670 3.839 1.00 0.00 H new ATOM 499 N SER A 31 5.752 -13.975 5.966 1.00 0.00 N ATOM 500 CA SER A 31 6.596 -13.763 7.112 1.00 0.00 C ATOM 501 C SER A 31 7.307 -12.410 7.068 1.00 0.00 C ATOM 502 O SER A 31 8.085 -12.136 6.143 1.00 0.00 O ATOM 503 CB SER A 31 7.572 -14.928 7.266 1.00 0.00 C ATOM 504 OG SER A 31 8.242 -15.211 6.037 1.00 0.00 O ATOM 0 H SER A 31 6.140 -14.613 5.271 1.00 0.00 H new ATOM 0 HA SER A 31 5.963 -13.732 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.306 -14.691 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.033 -15.814 7.601 1.00 0.00 H new ATOM 0 HG SER A 31 8.458 -14.371 5.581 1.00 0.00 H new ATOM 510 N GLY A 32 7.015 -11.572 8.037 1.00 0.00 N ATOM 511 CA GLY A 32 7.657 -10.287 8.130 1.00 0.00 C ATOM 512 C GLY A 32 6.955 -9.241 7.305 1.00 0.00 C ATOM 513 O GLY A 32 7.596 -8.363 6.723 1.00 0.00 O ATOM 0 H GLY A 32 6.334 -11.761 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.682 -9.969 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.692 -10.375 7.799 1.00 0.00 H new ATOM 517 N ILE A 33 5.652 -9.344 7.216 1.00 0.00 N ATOM 518 CA ILE A 33 4.878 -8.379 6.488 1.00 0.00 C ATOM 519 C ILE A 33 4.190 -7.456 7.489 1.00 0.00 C ATOM 520 O ILE A 33 3.871 -7.877 8.617 1.00 0.00 O ATOM 521 CB ILE A 33 3.808 -9.089 5.569 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.195 -8.099 4.571 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.696 -9.758 6.399 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.302 -8.765 3.525 1.00 0.00 C ATOM 0 H ILE A 33 5.106 -10.092 7.643 1.00 0.00 H new ATOM 0 HA ILE A 33 5.536 -7.802 5.839 1.00 0.00 H new ATOM 0 HB ILE A 33 4.331 -9.868 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.611 -7.358 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.997 -7.562 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.980 -10.235 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.134 -10.509 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.186 -9.004 6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.902 -8.007 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.887 -9.486 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.479 -9.279 4.023 1.00 0.00 H new ATOM 536 N ASP A 34 4.018 -6.206 7.151 1.00 0.00 N ATOM 537 CA ASP A 34 3.208 -5.366 8.007 1.00 0.00 C ATOM 538 C ASP A 34 1.827 -5.511 7.489 1.00 0.00 C ATOM 539 O ASP A 34 1.491 -4.891 6.501 1.00 0.00 O ATOM 540 CB ASP A 34 3.576 -3.881 7.985 1.00 0.00 C ATOM 541 CG ASP A 34 2.853 -3.114 9.115 1.00 0.00 C ATOM 542 OD1 ASP A 34 1.601 -3.011 9.108 1.00 0.00 O ATOM 543 OD2 ASP A 34 3.525 -2.619 10.034 1.00 0.00 O ATOM 0 H ASP A 34 4.408 -5.755 6.323 1.00 0.00 H new ATOM 0 HA ASP A 34 3.350 -5.682 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.654 -3.768 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.309 -3.451 7.020 1.00 0.00 H new ATOM 548 N LYS A 35 1.050 -6.375 8.122 1.00 0.00 N ATOM 549 CA LYS A 35 -0.308 -6.732 7.688 1.00 0.00 C ATOM 550 C LYS A 35 -1.211 -5.499 7.479 1.00 0.00 C ATOM 551 O LYS A 35 -2.106 -5.507 6.633 1.00 0.00 O ATOM 552 CB LYS A 35 -0.970 -7.640 8.729 1.00 0.00 C ATOM 553 CG LYS A 35 -2.243 -8.313 8.223 1.00 0.00 C ATOM 554 CD LYS A 35 -3.362 -8.322 9.255 1.00 0.00 C ATOM 555 CE LYS A 35 -3.903 -6.914 9.501 1.00 0.00 C ATOM 556 NZ LYS A 35 -5.079 -6.916 10.385 1.00 0.00 N ATOM 0 H LYS A 35 1.343 -6.862 8.969 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.201 -7.244 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.259 -8.407 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.206 -7.052 9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.588 -7.798 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.015 -9.339 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.170 -8.969 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.993 -8.741 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.120 -6.298 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.168 -6.457 8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.411 -5.940 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.837 -7.482 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.821 -7.328 11.305 1.00 0.00 H new ATOM 570 N ASN A 36 -0.938 -4.443 8.208 1.00 0.00 N ATOM 571 CA ASN A 36 -1.778 -3.282 8.206 1.00 0.00 C ATOM 572 C ASN A 36 -1.388 -2.359 7.070 1.00 0.00 C ATOM 573 O ASN A 36 -2.189 -1.536 6.631 1.00 0.00 O ATOM 574 CB ASN A 36 -1.642 -2.529 9.534 1.00 0.00 C ATOM 575 CG ASN A 36 -1.733 -3.418 10.753 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.820 -3.717 11.254 1.00 0.00 O ATOM 577 ND2 ASN A 36 -0.587 -3.822 11.266 1.00 0.00 N ATOM 0 H ASN A 36 -0.124 -4.370 8.819 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.811 -3.604 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.686 -2.006 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.421 -1.769 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.580 -4.402 12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.292 -3.555 10.824 1.00 0.00 H new ATOM 584 N ALA A 37 -0.165 -2.541 6.542 1.00 0.00 N ATOM 585 CA ALA A 37 0.368 -1.667 5.500 1.00 0.00 C ATOM 586 C ALA A 37 -0.216 -2.014 4.161 1.00 0.00 C ATOM 587 O ALA A 37 -0.022 -1.289 3.179 1.00 0.00 O ATOM 588 CB ALA A 37 1.879 -1.747 5.448 1.00 0.00 C ATOM 0 H ALA A 37 0.468 -3.289 6.825 1.00 0.00 H new ATOM 0 HA ALA A 37 0.085 -0.644 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.252 -1.087 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.293 -1.439 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.182 -2.772 5.234 1.00 0.00 H new ATOM 594 N LEU A 38 -0.926 -3.124 4.139 1.00 0.00 N ATOM 595 CA LEU A 38 -1.585 -3.615 2.966 1.00 0.00 C ATOM 596 C LEU A 38 -2.831 -2.847 2.702 1.00 0.00 C ATOM 597 O LEU A 38 -3.259 -2.765 1.585 1.00 0.00 O ATOM 598 CB LEU A 38 -1.943 -5.100 3.077 1.00 0.00 C ATOM 599 CG LEU A 38 -0.810 -6.116 2.984 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.117 -6.036 4.122 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.349 -7.492 2.869 1.00 0.00 C ATOM 0 H LEU A 38 -1.058 -3.716 4.959 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.881 -3.488 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.450 -5.251 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.664 -5.330 2.292 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.245 -5.870 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.903 -6.781 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.562 -5.042 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.426 -6.225 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.524 -8.202 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.955 -7.720 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.965 -7.568 1.973 1.00 0.00 H new ATOM 613 N ASP A 39 -3.414 -2.272 3.735 1.00 0.00 N ATOM 614 CA ASP A 39 -4.625 -1.512 3.572 1.00 0.00 C ATOM 615 C ASP A 39 -4.285 -0.082 3.227 1.00 0.00 C ATOM 616 O ASP A 39 -4.269 0.822 4.060 1.00 0.00 O ATOM 617 CB ASP A 39 -5.531 -1.631 4.780 1.00 0.00 C ATOM 618 CG ASP A 39 -6.795 -0.825 4.636 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.511 -0.967 3.621 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.115 -0.050 5.538 1.00 0.00 O ATOM 0 H ASP A 39 -3.065 -2.320 4.692 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.196 -1.927 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.788 -2.679 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.992 -1.300 5.668 1.00 0.00 H new ATOM 625 N ILE A 40 -3.910 0.066 2.003 1.00 0.00 N ATOM 626 CA ILE A 40 -3.422 1.286 1.438 1.00 0.00 C ATOM 627 C ILE A 40 -4.537 2.289 1.186 1.00 0.00 C ATOM 628 O ILE A 40 -4.347 3.495 1.341 1.00 0.00 O ATOM 629 CB ILE A 40 -2.639 0.978 0.150 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.604 -0.088 0.479 1.00 0.00 C ATOM 631 CG2 ILE A 40 -1.937 2.241 -0.353 1.00 0.00 C ATOM 632 CD1 ILE A 40 -0.932 -0.704 -0.706 1.00 0.00 C ATOM 0 H ILE A 40 -3.935 -0.700 1.330 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.751 1.753 2.159 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.316 0.628 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.842 0.353 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.088 -0.877 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.386 2.012 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.679 3.011 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.245 2.601 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.213 -1.451 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.679 -1.180 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.414 0.069 -1.273 1.00 0.00 H new ATOM 644 N ASN A 41 -5.708 1.808 0.820 1.00 0.00 N ATOM 645 CA ASN A 41 -6.823 2.719 0.548 1.00 0.00 C ATOM 646 C ASN A 41 -7.521 3.119 1.849 1.00 0.00 C ATOM 647 O ASN A 41 -8.386 3.992 1.858 1.00 0.00 O ATOM 648 CB ASN A 41 -7.839 2.125 -0.454 1.00 0.00 C ATOM 649 CG ASN A 41 -8.773 1.082 0.128 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.454 0.383 1.073 1.00 0.00 O ATOM 651 ND2 ASN A 41 -9.920 0.955 -0.443 1.00 0.00 N ATOM 0 H ASN A 41 -5.919 0.817 0.703 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.401 3.610 0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.437 2.937 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.291 1.679 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.583 0.258 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.165 1.552 -1.233 1.00 0.00 H new ATOM 658 N GLY A 42 -7.140 2.457 2.935 1.00 0.00 N ATOM 659 CA GLY A 42 -7.690 2.763 4.239 1.00 0.00 C ATOM 660 C GLY A 42 -9.154 2.393 4.420 1.00 0.00 C ATOM 661 O GLY A 42 -9.978 3.256 4.718 1.00 0.00 O ATOM 0 H GLY A 42 -6.451 1.705 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.103 2.243 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.575 3.831 4.424 1.00 0.00 H new ATOM 665 N ASP A 43 -9.480 1.132 4.242 1.00 0.00 N ATOM 666 CA ASP A 43 -10.855 0.659 4.464 1.00 0.00 C ATOM 667 C ASP A 43 -10.920 -0.330 5.630 1.00 0.00 C ATOM 668 O ASP A 43 -11.985 -0.561 6.205 1.00 0.00 O ATOM 669 CB ASP A 43 -11.557 0.085 3.186 1.00 0.00 C ATOM 670 CG ASP A 43 -10.845 -1.076 2.512 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.830 -1.171 1.278 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.197 -1.868 3.154 1.00 0.00 O ATOM 0 H ASP A 43 -8.825 0.408 3.946 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.427 1.549 4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.562 -0.237 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.667 0.891 2.461 1.00 0.00 H new ATOM 677 N GLY A 44 -9.777 -0.888 5.998 1.00 0.00 N ATOM 678 CA GLY A 44 -9.721 -1.843 7.090 1.00 0.00 C ATOM 679 C GLY A 44 -9.628 -3.291 6.626 1.00 0.00 C ATOM 680 O GLY A 44 -9.573 -4.213 7.451 1.00 0.00 O ATOM 0 H GLY A 44 -8.878 -0.695 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.860 -1.615 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.609 -1.725 7.711 1.00 0.00 H new ATOM 684 N ALA A 45 -9.633 -3.503 5.333 1.00 0.00 N ATOM 685 CA ALA A 45 -9.533 -4.833 4.775 1.00 0.00 C ATOM 686 C ALA A 45 -8.512 -4.855 3.657 1.00 0.00 C ATOM 687 O ALA A 45 -8.284 -3.844 3.000 1.00 0.00 O ATOM 688 CB ALA A 45 -10.886 -5.294 4.268 1.00 0.00 C ATOM 0 H ALA A 45 -9.706 -2.761 4.637 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.206 -5.518 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.796 -6.297 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.598 -5.307 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.238 -4.610 3.496 1.00 0.00 H new ATOM 694 N VAL A 46 -7.908 -5.978 3.436 1.00 0.00 N ATOM 695 CA VAL A 46 -6.917 -6.112 2.430 1.00 0.00 C ATOM 696 C VAL A 46 -7.575 -6.608 1.143 1.00 0.00 C ATOM 697 O VAL A 46 -7.970 -7.777 1.025 1.00 0.00 O ATOM 698 CB VAL A 46 -5.818 -7.073 2.884 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.762 -7.129 1.845 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.227 -6.637 4.225 1.00 0.00 C ATOM 0 H VAL A 46 -8.094 -6.835 3.957 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.454 -5.143 2.245 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.248 -8.065 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.975 -7.813 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.192 -7.481 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.341 -6.134 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.448 -7.338 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.799 -5.639 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.012 -6.623 4.981 1.00 0.00 H new ATOM 710 N ASN A 47 -7.710 -5.727 0.214 1.00 0.00 N ATOM 711 CA ASN A 47 -8.434 -5.996 -0.994 1.00 0.00 C ATOM 712 C ASN A 47 -7.719 -5.505 -2.241 1.00 0.00 C ATOM 713 O ASN A 47 -6.668 -4.880 -2.151 1.00 0.00 O ATOM 714 CB ASN A 47 -9.899 -5.495 -0.864 1.00 0.00 C ATOM 715 CG ASN A 47 -10.058 -4.100 -0.242 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.266 -3.176 -0.454 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.047 -3.959 0.592 1.00 0.00 N ATOM 0 H ASN A 47 -7.319 -4.786 0.266 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.477 -7.077 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.353 -5.488 -1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.459 -6.210 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.178 -3.075 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.691 -4.733 0.755 1.00 0.00 H new ATOM 724 N GLY A 48 -8.294 -5.794 -3.412 1.00 0.00 N ATOM 725 CA GLY A 48 -7.683 -5.432 -4.692 1.00 0.00 C ATOM 726 C GLY A 48 -7.617 -3.938 -4.897 1.00 0.00 C ATOM 727 O GLY A 48 -6.823 -3.457 -5.686 1.00 0.00 O ATOM 0 H GLY A 48 -9.186 -6.280 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.676 -5.847 -4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.254 -5.882 -5.504 1.00 0.00 H new ATOM 731 N ARG A 49 -8.455 -3.212 -4.172 1.00 0.00 N ATOM 732 CA ARG A 49 -8.431 -1.753 -4.151 1.00 0.00 C ATOM 733 C ARG A 49 -7.088 -1.269 -3.645 1.00 0.00 C ATOM 734 O ARG A 49 -6.525 -0.317 -4.169 1.00 0.00 O ATOM 735 CB ARG A 49 -9.511 -1.235 -3.224 1.00 0.00 C ATOM 736 CG ARG A 49 -10.908 -1.537 -3.673 1.00 0.00 C ATOM 737 CD ARG A 49 -11.300 -0.713 -4.890 1.00 0.00 C ATOM 738 NE ARG A 49 -12.647 -1.045 -5.368 1.00 0.00 N ATOM 739 CZ ARG A 49 -13.474 -0.211 -6.015 1.00 0.00 C ATOM 740 NH1 ARG A 49 -13.123 1.048 -6.244 1.00 0.00 N ATOM 741 NH2 ARG A 49 -14.650 -0.647 -6.434 1.00 0.00 N ATOM 0 H ARG A 49 -9.176 -3.619 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.602 -1.386 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.360 -1.664 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.400 -0.155 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.993 -2.598 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.603 -1.336 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.255 0.347 -4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.579 -0.883 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.983 -1.992 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.216 1.390 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.760 1.673 -6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.925 -1.614 -6.265 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.282 -0.016 -6.927 1.00 0.00 H new ATOM 755 N ASP A 50 -6.579 -1.959 -2.639 1.00 0.00 N ATOM 756 CA ASP A 50 -5.284 -1.653 -2.045 1.00 0.00 C ATOM 757 C ASP A 50 -4.191 -1.986 -3.009 1.00 0.00 C ATOM 758 O ASP A 50 -3.230 -1.261 -3.123 1.00 0.00 O ATOM 759 CB ASP A 50 -5.045 -2.444 -0.792 1.00 0.00 C ATOM 760 CG ASP A 50 -6.076 -2.252 0.242 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.263 -1.143 0.734 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.769 -3.197 0.610 1.00 0.00 O ATOM 0 H ASP A 50 -7.053 -2.752 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.286 -0.590 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.993 -3.503 -1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.075 -2.168 -0.379 1.00 0.00 H new ATOM 767 N LEU A 51 -4.362 -3.100 -3.706 1.00 0.00 N ATOM 768 CA LEU A 51 -3.440 -3.524 -4.760 1.00 0.00 C ATOM 769 C LEU A 51 -3.356 -2.440 -5.834 1.00 0.00 C ATOM 770 O LEU A 51 -2.274 -2.067 -6.257 1.00 0.00 O ATOM 771 CB LEU A 51 -3.905 -4.868 -5.360 1.00 0.00 C ATOM 772 CG LEU A 51 -3.201 -5.379 -6.639 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.699 -5.565 -6.445 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.821 -6.688 -7.058 1.00 0.00 C ATOM 0 H LEU A 51 -5.144 -3.739 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.445 -3.670 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.794 -5.632 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.970 -4.786 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.336 -4.624 -7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.254 -5.925 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.247 -4.612 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.522 -6.291 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.328 -7.052 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.702 -7.419 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.882 -6.540 -7.259 1.00 0.00 H new ATOM 786 N MET A 52 -4.513 -1.912 -6.221 1.00 0.00 N ATOM 787 CA MET A 52 -4.604 -0.818 -7.189 1.00 0.00 C ATOM 788 C MET A 52 -3.884 0.418 -6.667 1.00 0.00 C ATOM 789 O MET A 52 -3.182 1.095 -7.420 1.00 0.00 O ATOM 790 CB MET A 52 -6.062 -0.477 -7.499 1.00 0.00 C ATOM 791 CG MET A 52 -6.822 -1.566 -8.230 1.00 0.00 C ATOM 792 SD MET A 52 -8.570 -1.172 -8.441 1.00 0.00 S ATOM 793 CE MET A 52 -9.140 -2.648 -9.285 1.00 0.00 C ATOM 0 H MET A 52 -5.418 -2.230 -5.873 1.00 0.00 H new ATOM 0 HA MET A 52 -4.123 -1.148 -8.110 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.577 -0.258 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.089 0.433 -8.099 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.369 -1.726 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.728 -2.502 -7.679 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.207 -2.562 -9.488 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.600 -2.761 -10.225 1.00 0.00 H new ATOM 0 HE3 MET A 52 -8.960 -3.519 -8.656 1.00 0.00 H new ATOM 803 N GLU A 53 -4.044 0.688 -5.372 1.00 0.00 N ATOM 804 CA GLU A 53 -3.365 1.792 -4.705 1.00 0.00 C ATOM 805 C GLU A 53 -1.858 1.576 -4.696 1.00 0.00 C ATOM 806 O GLU A 53 -1.109 2.495 -4.899 1.00 0.00 O ATOM 807 CB GLU A 53 -3.835 1.948 -3.266 1.00 0.00 C ATOM 808 CG GLU A 53 -5.246 2.468 -3.077 1.00 0.00 C ATOM 809 CD GLU A 53 -5.434 3.869 -3.607 1.00 0.00 C ATOM 810 OE1 GLU A 53 -4.745 4.794 -3.140 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.302 4.077 -4.458 1.00 0.00 O ATOM 0 H GLU A 53 -4.650 0.145 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.609 2.695 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.758 0.979 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.149 2.622 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.944 1.799 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.495 2.450 -2.016 1.00 0.00 H new ATOM 818 N LEU A 54 -1.439 0.355 -4.454 1.00 0.00 N ATOM 819 CA LEU A 54 -0.031 -0.002 -4.421 1.00 0.00 C ATOM 820 C LEU A 54 0.613 0.213 -5.781 1.00 0.00 C ATOM 821 O LEU A 54 1.678 0.813 -5.883 1.00 0.00 O ATOM 822 CB LEU A 54 0.129 -1.441 -3.987 1.00 0.00 C ATOM 823 CG LEU A 54 1.548 -1.913 -3.718 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.234 -1.004 -2.716 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.516 -3.321 -3.198 1.00 0.00 C ATOM 0 H LEU A 54 -2.067 -0.428 -4.273 1.00 0.00 H new ATOM 0 HA LEU A 54 0.471 0.644 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.458 -1.592 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.303 -2.080 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 54 2.113 -1.882 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.249 -1.360 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.269 0.011 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.677 -1.010 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.534 -3.661 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.940 -3.354 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.051 -3.972 -3.938 1.00 0.00 H new ATOM 837 N ILE A 55 -0.056 -0.265 -6.809 1.00 0.00 N ATOM 838 CA ILE A 55 0.367 -0.065 -8.204 1.00 0.00 C ATOM 839 C ILE A 55 0.430 1.436 -8.494 1.00 0.00 C ATOM 840 O ILE A 55 1.364 1.904 -9.079 1.00 0.00 O ATOM 841 CB ILE A 55 -0.614 -0.795 -9.174 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.609 -2.310 -8.864 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.243 -0.540 -10.642 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.681 -3.115 -9.579 1.00 0.00 C ATOM 0 H ILE A 55 -0.914 -0.808 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 55 1.358 -0.492 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.617 -0.398 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.367 -2.717 -9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.730 -2.446 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.946 -1.063 -11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.286 0.530 -10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.766 -0.906 -10.831 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.596 -4.165 -9.298 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.665 -2.742 -9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.552 -3.017 -10.657 1.00 0.00 H new ATOM 856 N LYS A 56 -0.543 2.166 -7.992 1.00 0.00 N ATOM 857 CA LYS A 56 -0.602 3.631 -8.065 1.00 0.00 C ATOM 858 C LYS A 56 0.640 4.283 -7.409 1.00 0.00 C ATOM 859 O LYS A 56 1.222 5.212 -7.965 1.00 0.00 O ATOM 860 CB LYS A 56 -1.904 4.060 -7.380 1.00 0.00 C ATOM 861 CG LYS A 56 -2.021 5.486 -6.869 1.00 0.00 C ATOM 862 CD LYS A 56 -3.363 5.626 -6.170 1.00 0.00 C ATOM 863 CE LYS A 56 -3.544 6.960 -5.496 1.00 0.00 C ATOM 864 NZ LYS A 56 -4.802 7.000 -4.731 1.00 0.00 N ATOM 0 H LYS A 56 -1.341 1.757 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.594 3.966 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.719 3.893 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.070 3.391 -6.536 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.207 5.712 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.946 6.194 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.161 5.483 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.463 4.834 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.703 7.152 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.544 7.752 -6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.944 7.956 -4.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.596 6.757 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.755 6.316 -3.949 1.00 0.00 H new ATOM 878 N LYS A 57 1.042 3.770 -6.257 1.00 0.00 N ATOM 879 CA LYS A 57 2.210 4.278 -5.522 1.00 0.00 C ATOM 880 C LYS A 57 3.499 3.981 -6.278 1.00 0.00 C ATOM 881 O LYS A 57 4.323 4.872 -6.491 1.00 0.00 O ATOM 882 CB LYS A 57 2.305 3.638 -4.128 1.00 0.00 C ATOM 883 CG LYS A 57 1.069 3.763 -3.239 1.00 0.00 C ATOM 884 CD LYS A 57 0.685 5.202 -2.903 1.00 0.00 C ATOM 885 CE LYS A 57 1.787 5.901 -2.107 1.00 0.00 C ATOM 886 NZ LYS A 57 1.315 7.152 -1.487 1.00 0.00 N ATOM 0 H LYS A 57 0.574 2.989 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 57 2.082 5.356 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.531 2.579 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.150 4.084 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.227 3.280 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.246 3.219 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.493 5.753 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.241 5.209 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.155 5.229 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.628 6.118 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.094 7.593 -0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.987 7.804 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.530 6.943 -0.838 1.00 0.00 H new ATOM 900 N VAL A 58 3.645 2.743 -6.684 1.00 0.00 N ATOM 901 CA VAL A 58 4.820 2.256 -7.381 1.00 0.00 C ATOM 902 C VAL A 58 4.930 2.822 -8.802 1.00 0.00 C ATOM 903 O VAL A 58 6.022 3.139 -9.272 1.00 0.00 O ATOM 904 CB VAL A 58 4.808 0.711 -7.345 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.913 0.080 -8.185 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.933 0.284 -5.895 1.00 0.00 C ATOM 0 H VAL A 58 2.935 2.026 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 58 5.717 2.610 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 58 3.873 0.362 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.848 -1.006 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.798 0.385 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.884 0.409 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.928 -0.804 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.867 0.666 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.094 0.683 -5.325 1.00 0.00 H new ATOM 916 N SER A 59 3.801 3.010 -9.462 1.00 0.00 N ATOM 917 CA SER A 59 3.805 3.622 -10.784 1.00 0.00 C ATOM 918 C SER A 59 4.143 5.117 -10.676 1.00 0.00 C ATOM 919 O SER A 59 4.567 5.748 -11.642 1.00 0.00 O ATOM 920 CB SER A 59 2.460 3.446 -11.513 1.00 0.00 C ATOM 921 OG SER A 59 2.172 2.074 -11.781 1.00 0.00 O ATOM 0 H SER A 59 2.878 2.752 -9.112 1.00 0.00 H new ATOM 0 HA SER A 59 4.569 3.112 -11.371 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.661 3.872 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.480 4.002 -12.450 1.00 0.00 H new ATOM 0 HG SER A 59 1.816 1.650 -10.972 1.00 0.00 H new ATOM 927 N ASN A 60 3.943 5.671 -9.490 1.00 0.00 N ATOM 928 CA ASN A 60 4.228 7.051 -9.222 1.00 0.00 C ATOM 929 C ASN A 60 5.711 7.237 -8.953 1.00 0.00 C ATOM 930 O ASN A 60 6.345 8.125 -9.537 1.00 0.00 O ATOM 931 CB ASN A 60 3.384 7.534 -8.029 1.00 0.00 C ATOM 932 CG ASN A 60 3.687 8.945 -7.593 1.00 0.00 C ATOM 933 OD1 ASN A 60 3.129 9.905 -8.116 1.00 0.00 O ATOM 934 ND2 ASN A 60 4.500 9.081 -6.588 1.00 0.00 N ATOM 0 H ASN A 60 3.575 5.161 -8.687 1.00 0.00 H new ATOM 0 HA ASN A 60 3.967 7.650 -10.094 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.329 7.465 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.547 6.862 -7.187 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.692 10.008 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.946 8.260 -6.178 1.00 0.00 H new ATOM 941 N ASN A 61 6.267 6.403 -8.086 1.00 0.00 N ATOM 942 CA ASN A 61 7.668 6.504 -7.727 1.00 0.00 C ATOM 943 C ASN A 61 8.177 5.189 -7.137 1.00 0.00 C ATOM 944 O ASN A 61 7.535 4.630 -6.257 1.00 0.00 O ATOM 945 CB ASN A 61 7.859 7.614 -6.686 1.00 0.00 C ATOM 946 CG ASN A 61 9.308 7.814 -6.250 1.00 0.00 C ATOM 947 OD1 ASN A 61 9.576 8.094 -5.086 1.00 0.00 O ATOM 948 ND2 ASN A 61 10.235 7.730 -7.173 1.00 0.00 N ATOM 0 H ASN A 61 5.765 5.648 -7.619 1.00 0.00 H new ATOM 0 HA ASN A 61 8.231 6.732 -8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.481 8.551 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.255 7.383 -5.809 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.212 7.900 -6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.980 7.495 -8.132 1.00 0.00 H new ATOM 955 N THR A 62 9.337 4.739 -7.643 1.00 0.00 N ATOM 956 CA THR A 62 10.092 3.575 -7.163 1.00 0.00 C ATOM 957 C THR A 62 9.496 2.224 -7.609 1.00 0.00 C ATOM 958 O THR A 62 8.299 2.044 -7.654 1.00 0.00 O ATOM 959 CB THR A 62 10.319 3.616 -5.624 1.00 0.00 C ATOM 960 OG1 THR A 62 10.855 4.912 -5.263 1.00 0.00 O ATOM 961 CG2 THR A 62 11.324 2.544 -5.195 1.00 0.00 C ATOM 0 H THR A 62 9.792 5.198 -8.432 1.00 0.00 H new ATOM 0 HA THR A 62 11.067 3.648 -7.645 1.00 0.00 H new ATOM 0 HB THR A 62 9.366 3.434 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.568 5.143 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.467 2.591 -4.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.945 1.559 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.277 2.717 -5.695 1.00 0.00 H new ATOM 969 N SER A 63 10.366 1.313 -8.013 1.00 0.00 N ATOM 970 CA SER A 63 9.990 -0.022 -8.395 1.00 0.00 C ATOM 971 C SER A 63 11.117 -0.982 -7.989 1.00 0.00 C ATOM 972 O SER A 63 10.955 -1.723 -6.996 1.00 0.00 O ATOM 973 CB SER A 63 9.699 -0.087 -9.906 1.00 0.00 C ATOM 974 OG SER A 63 8.675 0.850 -10.256 1.00 0.00 O ATOM 975 OXT SER A 63 12.220 -0.916 -8.593 1.00 0.00 O ATOM 0 H SER A 63 11.368 1.492 -8.083 1.00 0.00 H new ATOM 0 HA SER A 63 9.074 -0.318 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.607 0.130 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.388 -1.095 -10.180 1.00 0.00 H new ATOM 0 HG SER A 63 8.501 0.800 -11.219 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.546 -1.606 0.219 1.00 0.00 CA HETATM 983 CA CA A 102 -8.328 -1.883 1.712 1.00 0.00 CA