USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=15 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 NoAdj : A 47 ASNHD21 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 47 ASNHD22 : A 47 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.0231 K(o=-0.023,f=0.89) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.11 K(o=0.47,f=-3.2) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -156:sc= 0.576 (180deg=0) USER MOD Set 3.1: A 1 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot -7:sc= 1.09 USER MOD Single : A -2 SER OG : rot 180:sc= 0.301 USER MOD Single : A -3 GLY N :NH3+ 163:sc= 2.46 (180deg=2.21) USER MOD Single : A 20 MET CE :methyl -178:sc= -1.6 (180deg=-1.61) USER MOD Single : A 21 MET CE :methyl -127:sc= -2.21 (180deg=-2.31) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 52 MET CE :methyl 162:sc= -0.0672 (180deg=-0.499) USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= 0.658 (180deg=-0.17!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 63 SER OG : rot -9:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 6.335 -1.025 10.162 1.00 0.00 N ATOM 2 CA GLY A -3 5.872 0.308 9.844 1.00 0.00 C ATOM 3 C GLY A -3 6.945 1.331 10.096 1.00 0.00 C ATOM 4 O GLY A -3 7.739 1.178 11.027 1.00 0.00 O ATOM 0 H1 GLY A -3 5.519 -1.662 10.259 1.00 0.00 H new ATOM 0 H2 GLY A -3 6.954 -1.369 9.400 1.00 0.00 H new ATOM 0 H3 GLY A -3 6.866 -1.004 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A -3 5.565 0.349 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A -3 4.993 0.543 10.444 1.00 0.00 H new ATOM 10 N SER A -2 6.992 2.366 9.275 1.00 0.00 N ATOM 11 CA SER A -2 7.931 3.441 9.461 1.00 0.00 C ATOM 12 C SER A -2 7.289 4.488 10.417 1.00 0.00 C ATOM 13 O SER A -2 6.291 4.170 11.107 1.00 0.00 O ATOM 14 CB SER A -2 8.324 4.045 8.083 1.00 0.00 C ATOM 15 OG SER A -2 9.396 4.986 8.191 1.00 0.00 O ATOM 0 H SER A -2 6.380 2.478 8.466 1.00 0.00 H new ATOM 0 HA SER A -2 8.854 3.084 9.917 1.00 0.00 H new ATOM 0 HB2 SER A -2 8.615 3.242 7.406 1.00 0.00 H new ATOM 0 HB3 SER A -2 7.456 4.535 7.642 1.00 0.00 H new ATOM 0 HG SER A -2 9.612 5.339 7.303 1.00 0.00 H new ATOM 21 N ALA A -1 7.831 5.698 10.443 1.00 0.00 N ATOM 22 CA ALA A -1 7.429 6.748 11.379 1.00 0.00 C ATOM 23 C ALA A -1 6.014 7.311 11.142 1.00 0.00 C ATOM 24 O ALA A -1 5.826 8.351 10.497 1.00 0.00 O ATOM 25 CB ALA A -1 8.458 7.854 11.409 1.00 0.00 C ATOM 0 H ALA A -1 8.574 5.986 9.806 1.00 0.00 H new ATOM 0 HA ALA A -1 7.381 6.268 12.357 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.142 8.626 12.111 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.419 7.448 11.725 1.00 0.00 H new ATOM 0 HB3 ALA A -1 8.556 8.287 10.413 1.00 0.00 H new ATOM 31 N SER A 0 5.048 6.568 11.622 1.00 0.00 N ATOM 32 CA SER A 0 3.622 6.877 11.638 1.00 0.00 C ATOM 33 C SER A 0 3.007 5.858 12.589 1.00 0.00 C ATOM 34 O SER A 0 2.344 6.201 13.571 1.00 0.00 O ATOM 35 CB SER A 0 2.975 6.720 10.229 1.00 0.00 C ATOM 36 OG SER A 0 3.604 7.550 9.253 1.00 0.00 O ATOM 0 H SER A 0 5.243 5.661 12.046 1.00 0.00 H new ATOM 0 HA SER A 0 3.455 7.910 11.944 1.00 0.00 H new ATOM 0 HB2 SER A 0 3.041 5.678 9.915 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.915 6.969 10.287 1.00 0.00 H new ATOM 0 HG SER A 0 4.247 8.144 9.694 1.00 0.00 H new ATOM 42 N ASN A 1 3.308 4.599 12.266 1.00 0.00 N ATOM 43 CA ASN A 1 2.957 3.360 12.988 1.00 0.00 C ATOM 44 C ASN A 1 3.045 2.302 11.943 1.00 0.00 C ATOM 45 O ASN A 1 3.806 1.353 12.024 1.00 0.00 O ATOM 46 CB ASN A 1 1.512 3.344 13.557 1.00 0.00 C ATOM 47 CG ASN A 1 1.253 2.150 14.469 1.00 0.00 C ATOM 48 OD1 ASN A 1 0.852 1.067 14.021 1.00 0.00 O ATOM 49 ND2 ASN A 1 1.475 2.329 15.747 1.00 0.00 N ATOM 0 H ASN A 1 3.848 4.396 11.425 1.00 0.00 H new ATOM 0 HA ASN A 1 3.617 3.236 13.847 1.00 0.00 H new ATOM 0 HB2 ASN A 1 1.334 4.265 14.112 1.00 0.00 H new ATOM 0 HB3 ASN A 1 0.801 3.327 12.731 1.00 0.00 H new ATOM 0 HD21 ASN A 1 1.318 1.565 16.404 1.00 0.00 H new ATOM 0 HD22 ASN A 1 1.805 3.233 16.086 1.00 0.00 H new ATOM 56 N THR A 2 2.280 2.532 10.935 1.00 0.00 N ATOM 57 CA THR A 2 2.188 1.733 9.784 1.00 0.00 C ATOM 58 C THR A 2 2.447 2.640 8.573 1.00 0.00 C ATOM 59 O THR A 2 2.127 3.825 8.610 1.00 0.00 O ATOM 60 CB THR A 2 0.764 1.156 9.717 1.00 0.00 C ATOM 61 OG1 THR A 2 0.481 0.407 10.917 1.00 0.00 O ATOM 62 CG2 THR A 2 0.581 0.275 8.511 1.00 0.00 C ATOM 0 H THR A 2 1.662 3.343 10.900 1.00 0.00 H new ATOM 0 HA THR A 2 2.909 0.915 9.797 1.00 0.00 H new ATOM 0 HB THR A 2 0.068 1.991 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.428 0.044 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.437 -0.115 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.760 0.855 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.287 -0.554 8.556 1.00 0.00 H new ATOM 70 N ILE A 3 3.053 2.122 7.545 1.00 0.00 N ATOM 71 CA ILE A 3 3.259 2.901 6.362 1.00 0.00 C ATOM 72 C ILE A 3 2.483 2.271 5.203 1.00 0.00 C ATOM 73 O ILE A 3 2.877 1.249 4.652 1.00 0.00 O ATOM 74 CB ILE A 3 4.782 3.102 6.052 1.00 0.00 C ATOM 75 CG1 ILE A 3 4.997 3.819 4.700 1.00 0.00 C ATOM 76 CG2 ILE A 3 5.559 1.789 6.151 1.00 0.00 C ATOM 77 CD1 ILE A 3 6.452 4.134 4.373 1.00 0.00 C ATOM 0 H ILE A 3 3.411 1.168 7.502 1.00 0.00 H new ATOM 0 HA ILE A 3 2.869 3.907 6.518 1.00 0.00 H new ATOM 0 HB ILE A 3 5.189 3.759 6.821 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.586 3.197 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.429 4.749 4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.611 1.971 5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.465 1.386 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.156 1.073 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.507 4.636 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.866 4.784 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.025 3.208 4.333 1.00 0.00 H new ATOM 89 N LEU A 4 1.339 2.863 4.889 1.00 0.00 N ATOM 90 CA LEU A 4 0.460 2.363 3.854 1.00 0.00 C ATOM 91 C LEU A 4 1.133 2.438 2.501 1.00 0.00 C ATOM 92 O LEU A 4 1.451 3.532 2.010 1.00 0.00 O ATOM 93 CB LEU A 4 -0.853 3.151 3.829 1.00 0.00 C ATOM 94 CG LEU A 4 -1.660 3.211 5.135 1.00 0.00 C ATOM 95 CD1 LEU A 4 -2.997 3.894 4.907 1.00 0.00 C ATOM 96 CD2 LEU A 4 -1.849 1.828 5.736 1.00 0.00 C ATOM 0 H LEU A 4 0.998 3.707 5.350 1.00 0.00 H new ATOM 0 HA LEU A 4 0.236 1.320 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.628 4.173 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.491 2.721 3.057 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.091 3.803 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.553 3.926 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.830 4.910 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.568 3.337 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.424 1.908 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.384 1.194 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.875 1.389 5.952 1.00 0.00 H new ATOM 108 N GLY A 5 1.359 1.301 1.916 1.00 0.00 N ATOM 109 CA GLY A 5 2.039 1.250 0.661 1.00 0.00 C ATOM 110 C GLY A 5 3.369 0.538 0.792 1.00 0.00 C ATOM 111 O GLY A 5 3.930 0.087 -0.188 1.00 0.00 O ATOM 0 H GLY A 5 1.081 0.394 2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.418 0.736 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.199 2.262 0.289 1.00 0.00 H new ATOM 115 N ASP A 6 3.869 0.428 2.002 1.00 0.00 N ATOM 116 CA ASP A 6 5.118 -0.244 2.229 1.00 0.00 C ATOM 117 C ASP A 6 4.910 -1.483 3.081 1.00 0.00 C ATOM 118 O ASP A 6 4.946 -1.461 4.309 1.00 0.00 O ATOM 119 CB ASP A 6 6.165 0.706 2.782 1.00 0.00 C ATOM 120 CG ASP A 6 7.439 0.023 3.135 1.00 0.00 C ATOM 121 OD1 ASP A 6 7.946 -0.772 2.323 1.00 0.00 O ATOM 122 OD2 ASP A 6 7.991 0.297 4.193 1.00 0.00 O ATOM 0 H ASP A 6 3.425 0.798 2.843 1.00 0.00 H new ATOM 0 HA ASP A 6 5.513 -0.589 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.368 1.484 2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.767 1.202 3.668 1.00 0.00 H new ATOM 127 N LEU A 7 4.624 -2.534 2.378 1.00 0.00 N ATOM 128 CA LEU A 7 4.252 -3.819 2.903 1.00 0.00 C ATOM 129 C LEU A 7 5.444 -4.628 3.382 1.00 0.00 C ATOM 130 O LEU A 7 5.346 -5.364 4.357 1.00 0.00 O ATOM 131 CB LEU A 7 3.485 -4.613 1.838 1.00 0.00 C ATOM 132 CG LEU A 7 2.037 -4.181 1.495 1.00 0.00 C ATOM 133 CD1 LEU A 7 1.937 -2.781 0.923 1.00 0.00 C ATOM 134 CD2 LEU A 7 1.449 -5.144 0.528 1.00 0.00 C ATOM 0 H LEU A 7 4.644 -2.521 1.358 1.00 0.00 H new ATOM 0 HA LEU A 7 3.618 -3.637 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.067 -4.581 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.453 -5.654 2.159 1.00 0.00 H new ATOM 0 HG LEU A 7 1.486 -4.177 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.894 -2.550 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.326 -2.064 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.519 -2.721 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.430 -4.841 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.049 -5.158 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.436 -6.141 0.969 1.00 0.00 H new ATOM 146 N ASN A 8 6.565 -4.516 2.688 1.00 0.00 N ATOM 147 CA ASN A 8 7.766 -5.293 3.054 1.00 0.00 C ATOM 148 C ASN A 8 8.599 -4.548 4.065 1.00 0.00 C ATOM 149 O ASN A 8 9.629 -5.044 4.526 1.00 0.00 O ATOM 150 CB ASN A 8 8.609 -5.731 1.824 1.00 0.00 C ATOM 151 CG ASN A 8 9.288 -4.601 1.083 1.00 0.00 C ATOM 152 OD1 ASN A 8 8.829 -3.477 1.080 1.00 0.00 O ATOM 153 ND2 ASN A 8 10.350 -4.904 0.407 1.00 0.00 N ATOM 0 H ASN A 8 6.681 -3.907 1.878 1.00 0.00 H new ATOM 0 HA ASN A 8 7.414 -6.216 3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.370 -6.437 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.961 -6.264 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.823 -4.190 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.713 -5.857 0.428 1.00 0.00 H new ATOM 160 N ASP A 9 8.122 -3.358 4.390 1.00 0.00 N ATOM 161 CA ASP A 9 8.672 -2.489 5.416 1.00 0.00 C ATOM 162 C ASP A 9 10.123 -2.121 5.105 1.00 0.00 C ATOM 163 O ASP A 9 11.066 -2.507 5.804 1.00 0.00 O ATOM 164 CB ASP A 9 8.495 -3.104 6.824 1.00 0.00 C ATOM 165 CG ASP A 9 8.881 -2.170 7.951 1.00 0.00 C ATOM 166 OD1 ASP A 9 8.146 -1.203 8.209 1.00 0.00 O ATOM 167 OD2 ASP A 9 9.909 -2.388 8.626 1.00 0.00 O ATOM 0 H ASP A 9 7.307 -2.955 3.927 1.00 0.00 H new ATOM 0 HA ASP A 9 8.109 -1.556 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.454 -3.402 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.097 -4.010 6.893 1.00 0.00 H new ATOM 172 N ASP A 10 10.298 -1.454 3.996 1.00 0.00 N ATOM 173 CA ASP A 10 11.611 -1.022 3.560 1.00 0.00 C ATOM 174 C ASP A 10 11.681 0.495 3.451 1.00 0.00 C ATOM 175 O ASP A 10 12.734 1.068 3.161 1.00 0.00 O ATOM 176 CB ASP A 10 12.097 -1.749 2.265 1.00 0.00 C ATOM 177 CG ASP A 10 11.261 -1.543 1.008 1.00 0.00 C ATOM 178 OD1 ASP A 10 10.383 -0.666 0.963 1.00 0.00 O ATOM 179 OD2 ASP A 10 11.434 -2.322 0.042 1.00 0.00 O ATOM 0 H ASP A 10 9.540 -1.192 3.366 1.00 0.00 H new ATOM 0 HA ASP A 10 12.319 -1.322 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.115 -1.422 2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.142 -2.818 2.472 1.00 0.00 H new ATOM 184 N GLY A 11 10.559 1.139 3.712 1.00 0.00 N ATOM 185 CA GLY A 11 10.494 2.580 3.746 1.00 0.00 C ATOM 186 C GLY A 11 10.183 3.212 2.416 1.00 0.00 C ATOM 187 O GLY A 11 10.322 4.427 2.256 1.00 0.00 O ATOM 0 H GLY A 11 9.671 0.675 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.734 2.882 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.447 2.968 4.107 1.00 0.00 H new ATOM 191 N VAL A 12 9.771 2.424 1.461 1.00 0.00 N ATOM 192 CA VAL A 12 9.485 2.942 0.135 1.00 0.00 C ATOM 193 C VAL A 12 8.440 2.082 -0.585 1.00 0.00 C ATOM 194 O VAL A 12 8.406 0.873 -0.414 1.00 0.00 O ATOM 195 CB VAL A 12 10.819 3.077 -0.705 1.00 0.00 C ATOM 196 CG1 VAL A 12 11.605 1.779 -0.725 1.00 0.00 C ATOM 197 CG2 VAL A 12 10.560 3.552 -2.125 1.00 0.00 C ATOM 0 H VAL A 12 9.623 1.420 1.568 1.00 0.00 H new ATOM 0 HA VAL A 12 9.056 3.939 0.240 1.00 0.00 H new ATOM 0 HB VAL A 12 11.418 3.836 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.514 1.913 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.869 1.498 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.997 0.992 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.506 3.629 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.911 2.840 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.077 4.529 -2.100 1.00 0.00 H new ATOM 207 N VAL A 13 7.554 2.722 -1.322 1.00 0.00 N ATOM 208 CA VAL A 13 6.580 2.034 -2.137 1.00 0.00 C ATOM 209 C VAL A 13 7.258 1.505 -3.427 1.00 0.00 C ATOM 210 O VAL A 13 7.538 2.261 -4.369 1.00 0.00 O ATOM 211 CB VAL A 13 5.348 2.952 -2.450 1.00 0.00 C ATOM 212 CG1 VAL A 13 4.537 3.187 -1.187 1.00 0.00 C ATOM 213 CG2 VAL A 13 5.774 4.312 -3.012 1.00 0.00 C ATOM 0 H VAL A 13 7.491 3.739 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 13 6.193 1.179 -1.582 1.00 0.00 H new ATOM 0 HB VAL A 13 4.749 2.436 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.684 3.826 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.182 2.232 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.163 3.672 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.889 4.915 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.404 4.825 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.332 4.165 -3.937 1.00 0.00 H new ATOM 223 N ASN A 14 7.626 0.240 -3.390 1.00 0.00 N ATOM 224 CA ASN A 14 8.348 -0.414 -4.476 1.00 0.00 C ATOM 225 C ASN A 14 7.667 -1.689 -4.942 1.00 0.00 C ATOM 226 O ASN A 14 6.717 -2.159 -4.316 1.00 0.00 O ATOM 227 CB ASN A 14 9.840 -0.634 -4.129 1.00 0.00 C ATOM 228 CG ASN A 14 10.119 -1.467 -2.891 1.00 0.00 C ATOM 229 OD1 ASN A 14 9.279 -1.660 -2.008 1.00 0.00 O ATOM 230 ND2 ASN A 14 11.317 -1.891 -2.765 1.00 0.00 N ATOM 0 H ASN A 14 7.433 -0.374 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 14 8.321 0.270 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.324 -1.112 -4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.310 0.341 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.593 -2.398 -1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.998 -1.722 -3.505 1.00 0.00 H new ATOM 237 N GLY A 15 8.192 -2.282 -6.012 1.00 0.00 N ATOM 238 CA GLY A 15 7.620 -3.502 -6.611 1.00 0.00 C ATOM 239 C GLY A 15 7.646 -4.711 -5.687 1.00 0.00 C ATOM 240 O GLY A 15 6.929 -5.703 -5.905 1.00 0.00 O ATOM 0 H GLY A 15 9.023 -1.938 -6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.589 -3.303 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.170 -3.741 -7.521 1.00 0.00 H new ATOM 244 N ARG A 16 8.444 -4.627 -4.642 1.00 0.00 N ATOM 245 CA ARG A 16 8.561 -5.705 -3.679 1.00 0.00 C ATOM 246 C ARG A 16 7.307 -5.761 -2.828 1.00 0.00 C ATOM 247 O ARG A 16 6.942 -6.809 -2.317 1.00 0.00 O ATOM 248 CB ARG A 16 9.775 -5.511 -2.777 1.00 0.00 C ATOM 249 CG ARG A 16 11.064 -5.200 -3.511 1.00 0.00 C ATOM 250 CD ARG A 16 11.420 -6.253 -4.534 1.00 0.00 C ATOM 251 NE ARG A 16 12.572 -5.833 -5.327 1.00 0.00 N ATOM 252 CZ ARG A 16 12.757 -6.087 -6.631 1.00 0.00 C ATOM 253 NH1 ARG A 16 11.900 -6.859 -7.305 1.00 0.00 N ATOM 254 NH2 ARG A 16 13.808 -5.576 -7.254 1.00 0.00 N ATOM 0 H ARG A 16 9.027 -3.815 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 16 8.686 -6.639 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.566 -4.701 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.919 -6.414 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.971 -4.234 -4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.876 -5.111 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.642 -7.195 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.568 -6.434 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 16 13.298 -5.301 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.094 -7.263 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.052 -7.045 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.471 -4.993 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.955 -5.765 -8.246 1.00 0.00 H new ATOM 268 N ASP A 17 6.632 -4.620 -2.708 1.00 0.00 N ATOM 269 CA ASP A 17 5.404 -4.527 -1.946 1.00 0.00 C ATOM 270 C ASP A 17 4.301 -5.259 -2.662 1.00 0.00 C ATOM 271 O ASP A 17 3.479 -5.904 -2.035 1.00 0.00 O ATOM 272 CB ASP A 17 5.005 -3.077 -1.711 1.00 0.00 C ATOM 273 CG ASP A 17 6.022 -2.325 -0.904 1.00 0.00 C ATOM 274 OD1 ASP A 17 6.629 -1.375 -1.387 1.00 0.00 O ATOM 275 OD2 ASP A 17 6.328 -2.707 0.225 1.00 0.00 O ATOM 0 H ASP A 17 6.925 -3.742 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 17 5.573 -4.989 -0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.869 -2.581 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.044 -3.047 -1.198 1.00 0.00 H new ATOM 280 N ILE A 18 4.317 -5.160 -3.994 1.00 0.00 N ATOM 281 CA ILE A 18 3.389 -5.865 -4.895 1.00 0.00 C ATOM 282 C ILE A 18 3.405 -7.350 -4.605 1.00 0.00 C ATOM 283 O ILE A 18 2.354 -7.991 -4.529 1.00 0.00 O ATOM 284 CB ILE A 18 3.756 -5.611 -6.416 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.296 -4.238 -6.898 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.188 -6.684 -7.347 1.00 0.00 C ATOM 287 CD1 ILE A 18 3.825 -3.074 -6.145 1.00 0.00 C ATOM 0 H ILE A 18 4.989 -4.575 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 18 2.388 -5.472 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 18 4.844 -5.657 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.580 -4.128 -7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.207 -4.207 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.470 -6.460 -8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.587 -7.658 -7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.101 -6.700 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.432 -2.153 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.519 -3.146 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.913 -3.066 -6.204 1.00 0.00 H new ATOM 299 N VAL A 19 4.602 -7.869 -4.433 1.00 0.00 N ATOM 300 CA VAL A 19 4.813 -9.277 -4.105 1.00 0.00 C ATOM 301 C VAL A 19 4.065 -9.631 -2.826 1.00 0.00 C ATOM 302 O VAL A 19 3.216 -10.510 -2.832 1.00 0.00 O ATOM 303 CB VAL A 19 6.317 -9.579 -3.910 1.00 0.00 C ATOM 304 CG1 VAL A 19 6.573 -11.074 -3.729 1.00 0.00 C ATOM 305 CG2 VAL A 19 7.120 -9.023 -5.063 1.00 0.00 C ATOM 0 H VAL A 19 5.464 -7.330 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 19 4.436 -9.876 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 19 6.642 -9.085 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.641 -11.247 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.035 -11.432 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.227 -11.612 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.176 -9.244 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.784 -9.480 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.979 -7.943 -5.117 1.00 0.00 H new ATOM 315 N MET A 20 4.331 -8.861 -1.778 1.00 0.00 N ATOM 316 CA MET A 20 3.764 -9.062 -0.427 1.00 0.00 C ATOM 317 C MET A 20 2.235 -8.976 -0.471 1.00 0.00 C ATOM 318 O MET A 20 1.532 -9.769 0.169 1.00 0.00 O ATOM 319 CB MET A 20 4.287 -7.977 0.513 1.00 0.00 C ATOM 320 CG MET A 20 5.791 -7.754 0.442 1.00 0.00 C ATOM 321 SD MET A 20 6.782 -9.132 1.045 1.00 0.00 S ATOM 322 CE MET A 20 6.500 -9.006 2.805 1.00 0.00 C ATOM 0 H MET A 20 4.959 -8.059 -1.833 1.00 0.00 H new ATOM 0 HA MET A 20 4.062 -10.048 -0.070 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.782 -7.039 0.282 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.019 -8.240 1.536 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.067 -7.551 -0.593 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.041 -6.864 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.078 -9.772 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.810 -8.021 3.154 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.440 -9.148 3.015 1.00 0.00 H new ATOM 332 N MET A 21 1.755 -7.999 -1.241 1.00 0.00 N ATOM 333 CA MET A 21 0.330 -7.744 -1.502 1.00 0.00 C ATOM 334 C MET A 21 -0.307 -9.009 -2.020 1.00 0.00 C ATOM 335 O MET A 21 -1.207 -9.569 -1.398 1.00 0.00 O ATOM 336 CB MET A 21 0.241 -6.665 -2.596 1.00 0.00 C ATOM 337 CG MET A 21 -1.146 -6.138 -3.008 1.00 0.00 C ATOM 338 SD MET A 21 -1.802 -4.767 -2.017 1.00 0.00 S ATOM 339 CE MET A 21 -2.163 -5.492 -0.445 1.00 0.00 C ATOM 0 H MET A 21 2.366 -7.337 -1.719 1.00 0.00 H new ATOM 0 HA MET A 21 -0.177 -7.421 -0.593 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.834 -5.812 -2.267 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.722 -7.061 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.096 -5.817 -4.048 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.855 -6.965 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.195 -5.271 -0.171 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.026 -6.572 -0.502 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.491 -5.080 0.308 1.00 0.00 H new ATOM 349 N ARG A 22 0.246 -9.486 -3.124 1.00 0.00 N ATOM 350 CA ARG A 22 -0.221 -10.656 -3.831 1.00 0.00 C ATOM 351 C ARG A 22 -0.139 -11.920 -2.988 1.00 0.00 C ATOM 352 O ARG A 22 -0.954 -12.816 -3.157 1.00 0.00 O ATOM 353 CB ARG A 22 0.569 -10.834 -5.112 1.00 0.00 C ATOM 354 CG ARG A 22 0.272 -9.821 -6.198 1.00 0.00 C ATOM 355 CD ARG A 22 1.214 -10.027 -7.371 1.00 0.00 C ATOM 356 NE ARG A 22 0.869 -9.204 -8.541 1.00 0.00 N ATOM 357 CZ ARG A 22 1.595 -9.131 -9.675 1.00 0.00 C ATOM 358 NH1 ARG A 22 2.722 -9.824 -9.796 1.00 0.00 N ATOM 359 NH2 ARG A 22 1.183 -8.373 -10.672 1.00 0.00 N ATOM 0 H ARG A 22 1.058 -9.051 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.274 -10.494 -4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.632 -10.787 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.374 -11.832 -5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.762 -9.922 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.383 -8.811 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.231 -9.793 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.203 -11.078 -7.658 1.00 0.00 H new ATOM 0 HE ARG A 22 0.016 -8.647 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.042 -10.415 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.267 -9.765 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.316 -7.843 -10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.731 -8.317 -11.530 1.00 0.00 H new ATOM 373 N GLN A 23 0.850 -11.995 -2.086 1.00 0.00 N ATOM 374 CA GLN A 23 0.989 -13.139 -1.199 1.00 0.00 C ATOM 375 C GLN A 23 -0.228 -13.247 -0.306 1.00 0.00 C ATOM 376 O GLN A 23 -0.921 -14.264 -0.307 1.00 0.00 O ATOM 377 CB GLN A 23 2.205 -12.997 -0.301 1.00 0.00 C ATOM 378 CG GLN A 23 3.532 -12.804 -0.989 1.00 0.00 C ATOM 379 CD GLN A 23 3.874 -13.905 -1.946 1.00 0.00 C ATOM 380 OE1 GLN A 23 4.467 -14.908 -1.574 1.00 0.00 O ATOM 381 NE2 GLN A 23 3.534 -13.726 -3.182 1.00 0.00 N ATOM 0 H GLN A 23 1.560 -11.274 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 23 1.097 -14.025 -1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.040 -12.150 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.272 -13.887 0.325 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.519 -11.856 -1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.316 -12.732 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.040 -12.877 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.760 -14.434 -3.881 1.00 0.00 H new ATOM 390 N TYR A 24 -0.507 -12.177 0.425 1.00 0.00 N ATOM 391 CA TYR A 24 -1.599 -12.168 1.373 1.00 0.00 C ATOM 392 C TYR A 24 -2.925 -12.295 0.668 1.00 0.00 C ATOM 393 O TYR A 24 -3.805 -13.024 1.121 1.00 0.00 O ATOM 394 CB TYR A 24 -1.573 -10.910 2.211 1.00 0.00 C ATOM 395 CG TYR A 24 -2.625 -10.906 3.306 1.00 0.00 C ATOM 396 CD1 TYR A 24 -3.867 -10.331 3.092 1.00 0.00 C ATOM 397 CD2 TYR A 24 -2.390 -11.512 4.532 1.00 0.00 C ATOM 398 CE1 TYR A 24 -4.839 -10.353 4.052 1.00 0.00 C ATOM 399 CE2 TYR A 24 -3.364 -11.532 5.509 1.00 0.00 C ATOM 400 CZ TYR A 24 -4.590 -10.953 5.260 1.00 0.00 C ATOM 401 OH TYR A 24 -5.578 -10.979 6.222 1.00 0.00 O ATOM 0 H TYR A 24 0.014 -11.302 0.375 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.474 -13.027 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.587 -10.800 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.726 -10.046 1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.072 -9.854 2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.433 -11.974 4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.800 -9.899 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.167 -11.998 6.463 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.246 -11.441 7.020 1.00 0.00 H new ATOM 411 N LEU A 25 -3.053 -11.586 -0.425 1.00 0.00 N ATOM 412 CA LEU A 25 -4.268 -11.629 -1.267 1.00 0.00 C ATOM 413 C LEU A 25 -4.581 -13.062 -1.719 1.00 0.00 C ATOM 414 O LEU A 25 -5.744 -13.483 -1.705 1.00 0.00 O ATOM 415 CB LEU A 25 -4.161 -10.707 -2.498 1.00 0.00 C ATOM 416 CG LEU A 25 -4.111 -9.183 -2.260 1.00 0.00 C ATOM 417 CD1 LEU A 25 -3.945 -8.463 -3.580 1.00 0.00 C ATOM 418 CD2 LEU A 25 -5.365 -8.674 -1.562 1.00 0.00 C ATOM 0 H LEU A 25 -2.330 -10.957 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.085 -11.264 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.264 -10.988 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.012 -10.916 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.259 -8.981 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.910 -7.388 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.018 -8.784 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.787 -8.698 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.287 -7.597 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.238 -8.894 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.468 -9.166 -0.595 1.00 0.00 H new ATOM 430 N ALA A 26 -3.536 -13.814 -2.065 1.00 0.00 N ATOM 431 CA ALA A 26 -3.667 -15.217 -2.497 1.00 0.00 C ATOM 432 C ALA A 26 -3.978 -16.135 -1.321 1.00 0.00 C ATOM 433 O ALA A 26 -4.450 -17.257 -1.498 1.00 0.00 O ATOM 434 CB ALA A 26 -2.390 -15.677 -3.166 1.00 0.00 C ATOM 0 H ALA A 26 -2.574 -13.474 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.495 -15.269 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.498 -16.715 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.190 -15.052 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.561 -15.596 -2.463 1.00 0.00 H new ATOM 440 N GLY A 27 -3.703 -15.656 -0.134 1.00 0.00 N ATOM 441 CA GLY A 27 -3.963 -16.410 1.035 1.00 0.00 C ATOM 442 C GLY A 27 -2.719 -16.996 1.641 1.00 0.00 C ATOM 443 O GLY A 27 -2.793 -17.958 2.406 1.00 0.00 O ATOM 0 H GLY A 27 -3.295 -14.736 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.454 -15.773 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.658 -17.215 0.795 1.00 0.00 H new ATOM 447 N LYS A 28 -1.570 -16.447 1.307 1.00 0.00 N ATOM 448 CA LYS A 28 -0.334 -16.926 1.882 1.00 0.00 C ATOM 449 C LYS A 28 -0.079 -16.188 3.184 1.00 0.00 C ATOM 450 O LYS A 28 -0.540 -15.052 3.370 1.00 0.00 O ATOM 451 CB LYS A 28 0.878 -16.701 0.964 1.00 0.00 C ATOM 452 CG LYS A 28 0.747 -17.176 -0.469 1.00 0.00 C ATOM 453 CD LYS A 28 2.084 -17.002 -1.157 1.00 0.00 C ATOM 454 CE LYS A 28 2.046 -17.287 -2.643 1.00 0.00 C ATOM 455 NZ LYS A 28 3.403 -17.165 -3.233 1.00 0.00 N ATOM 0 H LYS A 28 -1.467 -15.676 0.647 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.447 -17.999 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.100 -15.634 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.739 -17.199 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.441 -18.222 -0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.023 -16.606 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.433 -15.981 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.813 -17.663 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.657 -18.290 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.366 -16.592 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.322 -16.958 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.918 -16.394 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.920 -18.058 -3.102 1.00 0.00 H new ATOM 469 N THR A 29 0.626 -16.819 4.066 1.00 0.00 N ATOM 470 CA THR A 29 1.010 -16.204 5.301 1.00 0.00 C ATOM 471 C THR A 29 2.392 -15.592 5.066 1.00 0.00 C ATOM 472 O THR A 29 3.374 -16.313 4.857 1.00 0.00 O ATOM 473 CB THR A 29 1.071 -17.243 6.437 1.00 0.00 C ATOM 474 OG1 THR A 29 -0.099 -18.093 6.370 1.00 0.00 O ATOM 475 CG2 THR A 29 1.072 -16.541 7.786 1.00 0.00 C ATOM 0 H THR A 29 0.954 -17.778 3.953 1.00 0.00 H new ATOM 0 HA THR A 29 0.285 -15.448 5.601 1.00 0.00 H new ATOM 0 HB THR A 29 1.981 -17.833 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.063 -18.757 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.115 -17.284 8.583 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.940 -15.885 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.162 -15.951 7.890 1.00 0.00 H new ATOM 483 N VAL A 30 2.461 -14.285 5.046 1.00 0.00 N ATOM 484 CA VAL A 30 3.670 -13.622 4.660 1.00 0.00 C ATOM 485 C VAL A 30 4.491 -13.267 5.887 1.00 0.00 C ATOM 486 O VAL A 30 4.086 -12.438 6.695 1.00 0.00 O ATOM 487 CB VAL A 30 3.377 -12.325 3.870 1.00 0.00 C ATOM 488 CG1 VAL A 30 4.551 -11.944 2.987 1.00 0.00 C ATOM 489 CG2 VAL A 30 2.088 -12.412 3.071 1.00 0.00 C ATOM 0 H VAL A 30 1.691 -13.663 5.293 1.00 0.00 H new ATOM 0 HA VAL A 30 4.226 -14.309 4.021 1.00 0.00 H new ATOM 0 HB VAL A 30 3.236 -11.532 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.316 -11.029 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.434 -11.783 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.748 -12.747 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.928 -11.476 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.157 -13.232 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.252 -12.590 3.747 1.00 0.00 H new ATOM 499 N SER A 31 5.600 -13.927 6.049 1.00 0.00 N ATOM 500 CA SER A 31 6.502 -13.618 7.120 1.00 0.00 C ATOM 501 C SER A 31 7.278 -12.340 6.784 1.00 0.00 C ATOM 502 O SER A 31 7.894 -12.243 5.708 1.00 0.00 O ATOM 503 CB SER A 31 7.462 -14.792 7.378 1.00 0.00 C ATOM 504 OG SER A 31 8.344 -14.511 8.456 1.00 0.00 O ATOM 0 H SER A 31 5.904 -14.691 5.446 1.00 0.00 H new ATOM 0 HA SER A 31 5.929 -13.453 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.888 -15.692 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.040 -14.997 6.477 1.00 0.00 H new ATOM 0 HG SER A 31 8.941 -15.275 8.598 1.00 0.00 H new ATOM 510 N GLY A 32 7.208 -11.362 7.664 1.00 0.00 N ATOM 511 CA GLY A 32 7.963 -10.145 7.484 1.00 0.00 C ATOM 512 C GLY A 32 7.198 -9.102 6.729 1.00 0.00 C ATOM 513 O GLY A 32 7.785 -8.219 6.094 1.00 0.00 O ATOM 0 H GLY A 32 6.636 -11.389 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.246 -9.749 8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.887 -10.370 6.951 1.00 0.00 H new ATOM 517 N ILE A 33 5.905 -9.193 6.775 1.00 0.00 N ATOM 518 CA ILE A 33 5.076 -8.240 6.120 1.00 0.00 C ATOM 519 C ILE A 33 4.535 -7.304 7.180 1.00 0.00 C ATOM 520 O ILE A 33 4.492 -7.669 8.366 1.00 0.00 O ATOM 521 CB ILE A 33 3.889 -8.954 5.363 1.00 0.00 C ATOM 522 CG1 ILE A 33 3.207 -7.998 4.375 1.00 0.00 C ATOM 523 CG2 ILE A 33 2.850 -9.525 6.347 1.00 0.00 C ATOM 524 CD1 ILE A 33 2.165 -8.671 3.492 1.00 0.00 C ATOM 0 H ILE A 33 5.399 -9.929 7.267 1.00 0.00 H new ATOM 0 HA ILE A 33 5.652 -7.689 5.376 1.00 0.00 H new ATOM 0 HB ILE A 33 4.321 -9.784 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.731 -7.192 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.967 -7.542 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.048 -10.009 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.330 -10.255 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.436 -8.716 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.726 -7.933 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.639 -9.459 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.383 -9.103 4.117 1.00 0.00 H new ATOM 536 N ASP A 34 4.218 -6.108 6.819 1.00 0.00 N ATOM 537 CA ASP A 34 3.485 -5.280 7.728 1.00 0.00 C ATOM 538 C ASP A 34 2.076 -5.418 7.285 1.00 0.00 C ATOM 539 O ASP A 34 1.671 -4.768 6.341 1.00 0.00 O ATOM 540 CB ASP A 34 3.891 -3.805 7.712 1.00 0.00 C ATOM 541 CG ASP A 34 3.316 -3.055 8.909 1.00 0.00 C ATOM 542 OD1 ASP A 34 4.100 -2.473 9.674 1.00 0.00 O ATOM 543 OD2 ASP A 34 2.088 -3.109 9.166 1.00 0.00 O ATOM 0 H ASP A 34 4.447 -5.683 5.920 1.00 0.00 H new ATOM 0 HA ASP A 34 3.672 -5.598 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.978 -3.725 7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.544 -3.341 6.789 1.00 0.00 H new ATOM 548 N LYS A 35 1.344 -6.296 7.937 1.00 0.00 N ATOM 549 CA LYS A 35 0.016 -6.704 7.512 1.00 0.00 C ATOM 550 C LYS A 35 -1.006 -5.542 7.531 1.00 0.00 C ATOM 551 O LYS A 35 -2.062 -5.606 6.888 1.00 0.00 O ATOM 552 CB LYS A 35 -0.452 -7.877 8.373 1.00 0.00 C ATOM 553 CG LYS A 35 -1.659 -8.624 7.818 1.00 0.00 C ATOM 554 CD LYS A 35 -2.048 -9.807 8.700 1.00 0.00 C ATOM 555 CE LYS A 35 -2.504 -9.374 10.086 1.00 0.00 C ATOM 556 NZ LYS A 35 -2.801 -10.528 10.951 1.00 0.00 N ATOM 0 H LYS A 35 1.658 -6.756 8.792 1.00 0.00 H new ATOM 0 HA LYS A 35 0.079 -7.021 6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.373 -8.580 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.696 -7.506 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.503 -7.940 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.436 -8.979 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.847 -10.369 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.197 -10.481 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.729 -8.763 10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.392 -8.749 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.108 -10.191 11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.558 -11.098 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.947 -11.112 11.057 1.00 0.00 H new ATOM 570 N ASN A 36 -0.668 -4.480 8.223 1.00 0.00 N ATOM 571 CA ASN A 36 -1.530 -3.330 8.346 1.00 0.00 C ATOM 572 C ASN A 36 -1.295 -2.393 7.181 1.00 0.00 C ATOM 573 O ASN A 36 -2.166 -1.614 6.814 1.00 0.00 O ATOM 574 CB ASN A 36 -1.216 -2.567 9.633 1.00 0.00 C ATOM 575 CG ASN A 36 -1.126 -3.434 10.853 1.00 0.00 C ATOM 576 OD1 ASN A 36 -2.121 -3.709 11.514 1.00 0.00 O ATOM 577 ND2 ASN A 36 0.070 -3.841 11.174 1.00 0.00 N ATOM 0 H ASN A 36 0.218 -4.390 8.719 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.563 -3.676 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.272 -2.037 9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.987 -1.813 9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.207 -4.414 12.007 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.868 -3.587 10.593 1.00 0.00 H new ATOM 584 N ALA A 37 -0.120 -2.516 6.555 1.00 0.00 N ATOM 585 CA ALA A 37 0.308 -1.602 5.502 1.00 0.00 C ATOM 586 C ALA A 37 -0.325 -1.944 4.182 1.00 0.00 C ATOM 587 O ALA A 37 -0.156 -1.224 3.193 1.00 0.00 O ATOM 588 CB ALA A 37 1.814 -1.626 5.380 1.00 0.00 C ATOM 0 H ALA A 37 0.556 -3.250 6.766 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.017 -0.598 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.126 -0.941 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.261 -1.319 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.143 -2.636 5.135 1.00 0.00 H new ATOM 594 N LEU A 38 -1.054 -3.038 4.185 1.00 0.00 N ATOM 595 CA LEU A 38 -1.727 -3.538 3.018 1.00 0.00 C ATOM 596 C LEU A 38 -2.975 -2.772 2.744 1.00 0.00 C ATOM 597 O LEU A 38 -3.373 -2.674 1.619 1.00 0.00 O ATOM 598 CB LEU A 38 -2.073 -5.027 3.133 1.00 0.00 C ATOM 599 CG LEU A 38 -0.940 -6.044 2.998 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.035 -5.923 4.091 1.00 0.00 C ATOM 601 CD2 LEU A 38 -1.482 -7.437 2.951 1.00 0.00 C ATOM 0 H LEU A 38 -1.195 -3.612 5.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.028 -3.410 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.548 -5.185 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.818 -5.256 2.371 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.425 -5.829 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.824 -6.663 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.470 -4.923 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.465 -6.092 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.659 -8.145 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.033 -7.644 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.150 -7.539 2.096 1.00 0.00 H new ATOM 613 N ASP A 39 -3.596 -2.221 3.776 1.00 0.00 N ATOM 614 CA ASP A 39 -4.816 -1.468 3.578 1.00 0.00 C ATOM 615 C ASP A 39 -4.481 -0.030 3.244 1.00 0.00 C ATOM 616 O ASP A 39 -4.480 0.865 4.089 1.00 0.00 O ATOM 617 CB ASP A 39 -5.763 -1.590 4.759 1.00 0.00 C ATOM 618 CG ASP A 39 -7.035 -0.794 4.569 1.00 0.00 C ATOM 619 OD1 ASP A 39 -7.679 -0.892 3.502 1.00 0.00 O ATOM 620 OD2 ASP A 39 -7.424 -0.070 5.481 1.00 0.00 O ATOM 0 H ASP A 39 -3.278 -2.282 4.743 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.354 -1.894 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.015 -2.640 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.257 -1.249 5.662 1.00 0.00 H new ATOM 625 N ILE A 40 -4.111 0.135 2.014 1.00 0.00 N ATOM 626 CA ILE A 40 -3.616 1.361 1.469 1.00 0.00 C ATOM 627 C ILE A 40 -4.719 2.381 1.249 1.00 0.00 C ATOM 628 O ILE A 40 -4.520 3.578 1.476 1.00 0.00 O ATOM 629 CB ILE A 40 -2.831 1.068 0.169 1.00 0.00 C ATOM 630 CG1 ILE A 40 -1.779 0.014 0.488 1.00 0.00 C ATOM 631 CG2 ILE A 40 -2.156 2.336 -0.348 1.00 0.00 C ATOM 632 CD1 ILE A 40 -1.129 -0.610 -0.702 1.00 0.00 C ATOM 0 H ILE A 40 -4.147 -0.619 1.328 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.938 1.811 2.194 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.511 0.711 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.007 0.469 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.243 -0.772 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.609 2.110 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.913 3.092 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.464 2.713 0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.396 -1.346 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.886 -1.100 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.630 0.160 -1.290 1.00 0.00 H new ATOM 644 N ASN A 41 -5.892 1.923 0.851 1.00 0.00 N ATOM 645 CA ASN A 41 -6.987 2.852 0.600 1.00 0.00 C ATOM 646 C ASN A 41 -7.679 3.237 1.916 1.00 0.00 C ATOM 647 O ASN A 41 -8.482 4.177 1.957 1.00 0.00 O ATOM 648 CB ASN A 41 -8.010 2.295 -0.424 1.00 0.00 C ATOM 649 CG ASN A 41 -8.943 1.230 0.123 1.00 0.00 C ATOM 650 OD1 ASN A 41 -8.615 0.482 1.027 1.00 0.00 O ATOM 651 ND2 ASN A 41 -10.098 1.140 -0.431 1.00 0.00 N ATOM 0 H ASN A 41 -6.112 0.939 0.697 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.555 3.749 0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.609 3.122 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.465 1.880 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.761 0.432 -0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.352 1.776 -1.186 1.00 0.00 H new ATOM 658 N GLY A 42 -7.337 2.520 2.985 1.00 0.00 N ATOM 659 CA GLY A 42 -7.902 2.800 4.293 1.00 0.00 C ATOM 660 C GLY A 42 -9.385 2.447 4.423 1.00 0.00 C ATOM 661 O GLY A 42 -10.218 3.322 4.703 1.00 0.00 O ATOM 0 H GLY A 42 -6.674 1.745 2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.341 2.246 5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.771 3.859 4.514 1.00 0.00 H new ATOM 665 N ASP A 43 -9.724 1.196 4.199 1.00 0.00 N ATOM 666 CA ASP A 43 -11.112 0.740 4.357 1.00 0.00 C ATOM 667 C ASP A 43 -11.232 -0.263 5.497 1.00 0.00 C ATOM 668 O ASP A 43 -12.342 -0.612 5.922 1.00 0.00 O ATOM 669 CB ASP A 43 -11.760 0.184 3.040 1.00 0.00 C ATOM 670 CG ASP A 43 -11.033 -0.987 2.402 1.00 0.00 C ATOM 671 OD1 ASP A 43 -10.981 -1.094 1.167 1.00 0.00 O ATOM 672 OD2 ASP A 43 -10.409 -1.773 3.071 1.00 0.00 O ATOM 0 H ASP A 43 -9.070 0.470 3.908 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.687 1.631 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.783 -0.121 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.817 0.994 2.313 1.00 0.00 H new ATOM 677 N GLY A 44 -10.089 -0.718 5.998 1.00 0.00 N ATOM 678 CA GLY A 44 -10.071 -1.658 7.091 1.00 0.00 C ATOM 679 C GLY A 44 -9.900 -3.099 6.640 1.00 0.00 C ATOM 680 O GLY A 44 -9.791 -4.006 7.476 1.00 0.00 O ATOM 0 H GLY A 44 -9.167 -0.445 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.260 -1.399 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.000 -1.568 7.654 1.00 0.00 H new ATOM 684 N ALA A 45 -9.868 -3.316 5.339 1.00 0.00 N ATOM 685 CA ALA A 45 -9.741 -4.648 4.781 1.00 0.00 C ATOM 686 C ALA A 45 -8.668 -4.681 3.707 1.00 0.00 C ATOM 687 O ALA A 45 -8.435 -3.696 3.025 1.00 0.00 O ATOM 688 CB ALA A 45 -11.067 -5.087 4.186 1.00 0.00 C ATOM 0 H ALA A 45 -9.929 -2.575 4.641 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.456 -5.330 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.965 -6.089 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.830 -5.095 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.359 -4.393 3.398 1.00 0.00 H new ATOM 694 N VAL A 46 -8.034 -5.793 3.557 1.00 0.00 N ATOM 695 CA VAL A 46 -7.039 -5.981 2.570 1.00 0.00 C ATOM 696 C VAL A 46 -7.709 -6.554 1.332 1.00 0.00 C ATOM 697 O VAL A 46 -8.129 -7.721 1.304 1.00 0.00 O ATOM 698 CB VAL A 46 -5.950 -6.933 3.064 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.911 -7.083 2.012 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.329 -6.437 4.367 1.00 0.00 C ATOM 0 H VAL A 46 -8.201 -6.616 4.136 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.564 -5.027 2.343 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.401 -7.904 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.133 -7.762 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.365 -7.488 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.472 -6.110 1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.558 -7.136 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.884 -5.455 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.100 -6.366 5.134 1.00 0.00 H new ATOM 710 N ASN A 47 -7.856 -5.722 0.357 1.00 0.00 N ATOM 711 CA ASN A 47 -8.569 -6.042 -0.849 1.00 0.00 C ATOM 712 C ASN A 47 -7.826 -5.569 -2.087 1.00 0.00 C ATOM 713 O ASN A 47 -6.778 -4.937 -1.982 1.00 0.00 O ATOM 714 CB ASN A 47 -10.029 -5.519 -0.766 1.00 0.00 C ATOM 715 CG ASN A 47 -10.183 -4.101 -0.189 1.00 0.00 C ATOM 716 OD1 ASN A 47 -9.378 -3.193 -0.420 1.00 0.00 O ATOM 717 ND2 ASN A 47 -11.173 -3.927 0.621 1.00 0.00 N ATOM 0 H ASN A 47 -7.477 -4.775 0.370 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.625 -7.126 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.462 -5.536 -1.766 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.611 -6.208 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.301 -3.027 1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.827 -4.689 0.798 1.00 0.00 H new ATOM 724 N GLY A 48 -8.377 -5.867 -3.267 1.00 0.00 N ATOM 725 CA GLY A 48 -7.726 -5.520 -4.529 1.00 0.00 C ATOM 726 C GLY A 48 -7.691 -4.034 -4.774 1.00 0.00 C ATOM 727 O GLY A 48 -6.915 -3.562 -5.584 1.00 0.00 O ATOM 0 H GLY A 48 -9.271 -6.347 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.707 -5.908 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.251 -6.008 -5.350 1.00 0.00 H new ATOM 731 N ARG A 49 -8.538 -3.302 -4.061 1.00 0.00 N ATOM 732 CA ARG A 49 -8.543 -1.839 -4.095 1.00 0.00 C ATOM 733 C ARG A 49 -7.194 -1.328 -3.640 1.00 0.00 C ATOM 734 O ARG A 49 -6.632 -0.422 -4.230 1.00 0.00 O ATOM 735 CB ARG A 49 -9.607 -1.306 -3.148 1.00 0.00 C ATOM 736 CG ARG A 49 -11.013 -1.710 -3.510 1.00 0.00 C ATOM 737 CD ARG A 49 -11.532 -0.951 -4.723 1.00 0.00 C ATOM 738 NE ARG A 49 -11.754 0.476 -4.431 1.00 0.00 N ATOM 739 CZ ARG A 49 -12.011 1.431 -5.340 1.00 0.00 C ATOM 740 NH1 ARG A 49 -12.021 1.143 -6.637 1.00 0.00 N ATOM 741 NH2 ARG A 49 -12.256 2.674 -4.944 1.00 0.00 N ATOM 0 H ARG A 49 -9.242 -3.703 -3.442 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.753 -1.505 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.388 -1.656 -2.139 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.547 -0.218 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.041 -2.780 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.672 -1.529 -2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.819 -1.046 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.466 -1.401 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.709 0.764 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.833 0.190 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.217 1.874 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.249 2.903 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.451 3.400 -5.634 1.00 0.00 H new ATOM 755 N ASP A 50 -6.669 -1.972 -2.607 1.00 0.00 N ATOM 756 CA ASP A 50 -5.381 -1.625 -2.027 1.00 0.00 C ATOM 757 C ASP A 50 -4.281 -1.978 -2.975 1.00 0.00 C ATOM 758 O ASP A 50 -3.311 -1.267 -3.080 1.00 0.00 O ATOM 759 CB ASP A 50 -5.143 -2.370 -0.749 1.00 0.00 C ATOM 760 CG ASP A 50 -6.203 -2.184 0.259 1.00 0.00 C ATOM 761 OD1 ASP A 50 -6.886 -3.142 0.628 1.00 0.00 O ATOM 762 OD2 ASP A 50 -6.452 -1.065 0.691 1.00 0.00 O ATOM 0 H ASP A 50 -7.129 -2.756 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.391 -0.553 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.050 -3.433 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.192 -2.049 -0.325 1.00 0.00 H new ATOM 767 N LEU A 51 -4.454 -3.092 -3.669 1.00 0.00 N ATOM 768 CA LEU A 51 -3.508 -3.541 -4.692 1.00 0.00 C ATOM 769 C LEU A 51 -3.395 -2.492 -5.769 1.00 0.00 C ATOM 770 O LEU A 51 -2.306 -2.130 -6.183 1.00 0.00 O ATOM 771 CB LEU A 51 -3.965 -4.882 -5.297 1.00 0.00 C ATOM 772 CG LEU A 51 -3.268 -5.364 -6.594 1.00 0.00 C ATOM 773 CD1 LEU A 51 -1.773 -5.595 -6.410 1.00 0.00 C ATOM 774 CD2 LEU A 51 -3.929 -6.625 -7.082 1.00 0.00 C ATOM 0 H LEU A 51 -5.253 -3.714 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.531 -3.690 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.833 -5.654 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.034 -4.812 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.375 -4.571 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.338 -5.931 -7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.296 -4.664 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.614 -6.355 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.438 -6.963 -7.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.847 -7.398 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.981 -6.428 -7.288 1.00 0.00 H new ATOM 786 N MET A 52 -4.532 -1.984 -6.181 1.00 0.00 N ATOM 787 CA MET A 52 -4.599 -0.950 -7.195 1.00 0.00 C ATOM 788 C MET A 52 -3.963 0.355 -6.698 1.00 0.00 C ATOM 789 O MET A 52 -3.285 1.059 -7.465 1.00 0.00 O ATOM 790 CB MET A 52 -6.036 -0.749 -7.650 1.00 0.00 C ATOM 791 CG MET A 52 -6.630 -2.001 -8.285 1.00 0.00 C ATOM 792 SD MET A 52 -8.330 -1.799 -8.848 1.00 0.00 S ATOM 793 CE MET A 52 -8.087 -0.591 -10.139 1.00 0.00 C ATOM 0 H MET A 52 -5.442 -2.275 -5.823 1.00 0.00 H new ATOM 0 HA MET A 52 -4.020 -1.272 -8.061 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.646 -0.455 -6.796 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.075 0.071 -8.367 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.010 -2.296 -9.132 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.592 -2.816 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 52 -8.955 -0.584 -10.798 1.00 0.00 H new ATOM 0 HE2 MET A 52 -7.961 0.396 -9.694 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.197 -0.847 -10.714 1.00 0.00 H new ATOM 803 N GLU A 53 -4.150 0.647 -5.420 1.00 0.00 N ATOM 804 CA GLU A 53 -3.517 1.791 -4.766 1.00 0.00 C ATOM 805 C GLU A 53 -2.013 1.605 -4.710 1.00 0.00 C ATOM 806 O GLU A 53 -1.258 2.544 -4.884 1.00 0.00 O ATOM 807 CB GLU A 53 -4.033 1.959 -3.350 1.00 0.00 C ATOM 808 CG GLU A 53 -5.479 2.365 -3.249 1.00 0.00 C ATOM 809 CD GLU A 53 -5.744 3.687 -3.909 1.00 0.00 C ATOM 810 OE1 GLU A 53 -5.254 4.728 -3.430 1.00 0.00 O ATOM 811 OE2 GLU A 53 -6.452 3.730 -4.918 1.00 0.00 O ATOM 0 H GLU A 53 -4.747 0.097 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.761 2.678 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.896 1.020 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.424 2.707 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.103 1.599 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.767 2.421 -2.199 1.00 0.00 H new ATOM 818 N LEU A 54 -1.595 0.389 -4.458 1.00 0.00 N ATOM 819 CA LEU A 54 -0.200 0.038 -4.404 1.00 0.00 C ATOM 820 C LEU A 54 0.444 0.234 -5.760 1.00 0.00 C ATOM 821 O LEU A 54 1.494 0.843 -5.861 1.00 0.00 O ATOM 822 CB LEU A 54 -0.042 -1.398 -3.946 1.00 0.00 C ATOM 823 CG LEU A 54 1.374 -1.862 -3.644 1.00 0.00 C ATOM 824 CD1 LEU A 54 2.034 -0.944 -2.633 1.00 0.00 C ATOM 825 CD2 LEU A 54 1.341 -3.274 -3.119 1.00 0.00 C ATOM 0 H LEU A 54 -2.224 -0.394 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 54 0.299 0.690 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.646 -1.538 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.458 -2.049 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 54 1.958 -1.832 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.046 -1.294 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.073 0.069 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.457 -0.947 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.357 -3.606 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.746 -3.309 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.897 -3.930 -3.867 1.00 0.00 H new ATOM 837 N ILE A 55 -0.218 -0.267 -6.797 1.00 0.00 N ATOM 838 CA ILE A 55 0.230 -0.096 -8.189 1.00 0.00 C ATOM 839 C ILE A 55 0.389 1.404 -8.495 1.00 0.00 C ATOM 840 O ILE A 55 1.360 1.812 -9.088 1.00 0.00 O ATOM 841 CB ILE A 55 -0.773 -0.754 -9.192 1.00 0.00 C ATOM 842 CG1 ILE A 55 -0.892 -2.269 -8.916 1.00 0.00 C ATOM 843 CG2 ILE A 55 -0.341 -0.509 -10.645 1.00 0.00 C ATOM 844 CD1 ILE A 55 -1.986 -2.980 -9.707 1.00 0.00 C ATOM 0 H ILE A 55 -1.080 -0.804 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 55 1.191 -0.595 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.749 -0.292 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.064 -2.741 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.078 -2.417 -7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.056 -0.977 -11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.307 0.563 -10.839 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.647 -0.939 -10.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.993 -4.039 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.954 -2.540 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.793 -2.870 -10.774 1.00 0.00 H new ATOM 856 N LYS A 56 -0.561 2.195 -8.018 1.00 0.00 N ATOM 857 CA LYS A 56 -0.541 3.663 -8.110 1.00 0.00 C ATOM 858 C LYS A 56 0.747 4.245 -7.487 1.00 0.00 C ATOM 859 O LYS A 56 1.450 5.047 -8.110 1.00 0.00 O ATOM 860 CB LYS A 56 -1.768 4.198 -7.357 1.00 0.00 C ATOM 861 CG LYS A 56 -1.770 5.691 -7.042 1.00 0.00 C ATOM 862 CD LYS A 56 -2.932 6.071 -6.120 1.00 0.00 C ATOM 863 CE LYS A 56 -4.282 5.774 -6.740 1.00 0.00 C ATOM 864 NZ LYS A 56 -5.390 6.182 -5.860 1.00 0.00 N ATOM 0 H LYS A 56 -1.389 1.834 -7.544 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.564 3.962 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.657 3.972 -7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.859 3.650 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.826 5.965 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.840 6.259 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.839 5.527 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.871 7.133 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.366 6.294 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.359 4.707 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.046 5.384 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.011 6.467 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.897 6.983 -6.288 1.00 0.00 H new ATOM 878 N LYS A 57 1.040 3.818 -6.269 1.00 0.00 N ATOM 879 CA LYS A 57 2.198 4.293 -5.513 1.00 0.00 C ATOM 880 C LYS A 57 3.498 3.906 -6.203 1.00 0.00 C ATOM 881 O LYS A 57 4.351 4.747 -6.498 1.00 0.00 O ATOM 882 CB LYS A 57 2.192 3.678 -4.102 1.00 0.00 C ATOM 883 CG LYS A 57 0.946 3.951 -3.265 1.00 0.00 C ATOM 884 CD LYS A 57 0.687 5.432 -3.060 1.00 0.00 C ATOM 885 CE LYS A 57 1.817 6.090 -2.280 1.00 0.00 C ATOM 886 NZ LYS A 57 1.559 7.524 -2.058 1.00 0.00 N ATOM 0 H LYS A 57 0.480 3.127 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 57 2.133 5.379 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.315 2.599 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.060 4.052 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.081 3.500 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.053 3.468 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.578 5.921 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.253 5.568 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.937 5.588 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.754 5.968 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.348 7.940 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.469 8.006 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.677 7.639 -1.518 1.00 0.00 H new ATOM 900 N VAL A 58 3.601 2.647 -6.485 1.00 0.00 N ATOM 901 CA VAL A 58 4.775 2.028 -7.051 1.00 0.00 C ATOM 902 C VAL A 58 5.043 2.466 -8.494 1.00 0.00 C ATOM 903 O VAL A 58 6.202 2.592 -8.912 1.00 0.00 O ATOM 904 CB VAL A 58 4.604 0.509 -6.926 1.00 0.00 C ATOM 905 CG1 VAL A 58 5.691 -0.269 -7.636 1.00 0.00 C ATOM 906 CG2 VAL A 58 4.573 0.160 -5.449 1.00 0.00 C ATOM 0 H VAL A 58 2.841 1.986 -6.323 1.00 0.00 H new ATOM 0 HA VAL A 58 5.658 2.352 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 58 3.671 0.225 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.515 -1.337 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.682 -0.021 -8.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.661 -0.009 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.452 -0.917 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.507 0.473 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.738 0.673 -4.971 1.00 0.00 H new ATOM 916 N SER A 59 3.991 2.726 -9.240 1.00 0.00 N ATOM 917 CA SER A 59 4.141 3.181 -10.609 1.00 0.00 C ATOM 918 C SER A 59 4.714 4.599 -10.612 1.00 0.00 C ATOM 919 O SER A 59 5.493 4.974 -11.498 1.00 0.00 O ATOM 920 CB SER A 59 2.779 3.148 -11.349 1.00 0.00 C ATOM 921 OG SER A 59 2.900 3.451 -12.742 1.00 0.00 O ATOM 0 H SER A 59 3.025 2.631 -8.925 1.00 0.00 H new ATOM 0 HA SER A 59 4.825 2.514 -11.133 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.331 2.161 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.100 3.862 -10.884 1.00 0.00 H new ATOM 0 HG SER A 59 2.016 3.416 -13.163 1.00 0.00 H new ATOM 927 N ASN A 60 4.340 5.366 -9.611 1.00 0.00 N ATOM 928 CA ASN A 60 4.728 6.741 -9.505 1.00 0.00 C ATOM 929 C ASN A 60 6.144 6.894 -8.942 1.00 0.00 C ATOM 930 O ASN A 60 6.970 7.620 -9.514 1.00 0.00 O ATOM 931 CB ASN A 60 3.749 7.453 -8.597 1.00 0.00 C ATOM 932 CG ASN A 60 3.877 8.943 -8.656 1.00 0.00 C ATOM 933 OD1 ASN A 60 4.666 9.554 -7.939 1.00 0.00 O ATOM 934 ND2 ASN A 60 3.096 9.540 -9.489 1.00 0.00 N ATOM 0 H ASN A 60 3.752 5.042 -8.844 1.00 0.00 H new ATOM 0 HA ASN A 60 4.720 7.176 -10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.733 7.170 -8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.905 7.120 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.119 10.556 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.455 8.996 -10.067 1.00 0.00 H new ATOM 941 N ASN A 61 6.424 6.207 -7.851 1.00 0.00 N ATOM 942 CA ASN A 61 7.687 6.385 -7.142 1.00 0.00 C ATOM 943 C ASN A 61 8.790 5.437 -7.623 1.00 0.00 C ATOM 944 O ASN A 61 9.744 5.878 -8.270 1.00 0.00 O ATOM 945 CB ASN A 61 7.477 6.259 -5.625 1.00 0.00 C ATOM 946 CG ASN A 61 8.702 6.641 -4.800 1.00 0.00 C ATOM 947 OD1 ASN A 61 8.900 7.807 -4.464 1.00 0.00 O ATOM 948 ND2 ASN A 61 9.501 5.682 -4.437 1.00 0.00 N ATOM 0 H ASN A 61 5.797 5.520 -7.433 1.00 0.00 H new ATOM 0 HA ASN A 61 8.033 7.393 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.640 6.892 -5.330 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.198 5.232 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.316 5.888 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.313 4.723 -4.730 1.00 0.00 H new ATOM 955 N THR A 62 8.679 4.153 -7.309 1.00 0.00 N ATOM 956 CA THR A 62 9.714 3.178 -7.652 1.00 0.00 C ATOM 957 C THR A 62 9.092 1.808 -7.848 1.00 0.00 C ATOM 958 O THR A 62 8.346 1.353 -7.008 1.00 0.00 O ATOM 959 CB THR A 62 10.777 3.091 -6.514 1.00 0.00 C ATOM 960 OG1 THR A 62 11.401 4.372 -6.336 1.00 0.00 O ATOM 961 CG2 THR A 62 11.851 2.045 -6.812 1.00 0.00 C ATOM 0 H THR A 62 7.879 3.758 -6.815 1.00 0.00 H new ATOM 0 HA THR A 62 10.196 3.501 -8.575 1.00 0.00 H new ATOM 0 HB THR A 62 10.259 2.791 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.067 4.315 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.570 2.018 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.385 1.065 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.365 2.304 -7.738 1.00 0.00 H new ATOM 969 N SER A 63 9.376 1.185 -8.957 1.00 0.00 N ATOM 970 CA SER A 63 8.903 -0.133 -9.208 1.00 0.00 C ATOM 971 C SER A 63 10.040 -1.117 -8.955 1.00 0.00 C ATOM 972 O SER A 63 10.852 -1.349 -9.867 1.00 0.00 O ATOM 973 CB SER A 63 8.375 -0.232 -10.633 1.00 0.00 C ATOM 974 OG SER A 63 7.360 0.765 -10.864 1.00 0.00 O ATOM 975 OXT SER A 63 10.151 -1.630 -7.819 1.00 0.00 O ATOM 0 H SER A 63 9.942 1.582 -9.707 1.00 0.00 H new ATOM 0 HA SER A 63 8.078 -0.377 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.193 -0.098 -11.341 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.963 -1.226 -10.807 1.00 0.00 H new ATOM 0 HG SER A 63 7.128 1.199 -10.016 1.00 0.00 H new TER 981 SER A 63 HETATM 982 CA CA A 101 8.347 -1.364 0.186 1.00 0.00 CA HETATM 983 CA CA A 102 -8.532 -1.831 1.617 1.00 0.00 CA