USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= -0.699 X(o=-2.7,f=-2.7) USER MOD Set 1.2: A 9 SER OG : rot 180:sc= -2.04! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.0674 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= 1.46 F(o=-0.017,f=1.5) USER MOD Single : B 1 PHE N :NH3+ 174:sc= 0.643 (180deg=0.612) USER MOD Single : B 3 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.43) USER MOD Single : B 4 GLN : amide:sc=-0.00338 K(o=-0.0034,f=-1.7!) USER MOD Single : B 5 HIS : no HD1:sc= -12.1! C(o=-12!,f=-15!) USER MOD Single : B 9 SER OG : rot 180:sc=-0.00322 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.652 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.582 4.872 4.701 1.00 0.00 N ATOM 2 CA GLY A 1 -0.974 6.176 4.185 1.00 0.00 C ATOM 3 C GLY A 1 0.469 6.214 3.813 1.00 0.00 C ATOM 4 O GLY A 1 1.233 7.002 4.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.590 5.019 4.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.484 4.133 3.976 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.086 4.576 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.546 6.479 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.135 6.937 4.949 1.00 0.00 H new ATOM 10 N ILE A 2 0.878 5.377 2.901 1.00 0.00 N ATOM 11 CA ILE A 2 2.306 5.373 2.480 1.00 0.00 C ATOM 12 C ILE A 2 2.409 6.004 1.095 1.00 0.00 C ATOM 13 O ILE A 2 3.366 6.681 0.774 1.00 0.00 O ATOM 14 CB ILE A 2 2.825 3.937 2.429 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.344 3.952 2.241 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.174 3.203 1.258 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.852 2.519 2.064 1.00 0.00 C ATOM 0 H ILE A 2 0.284 4.695 2.429 1.00 0.00 H new ATOM 0 HA ILE A 2 2.904 5.940 3.193 1.00 0.00 H new ATOM 0 HB ILE A 2 2.579 3.427 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.607 4.552 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.823 4.415 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.543 2.178 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.092 3.194 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.421 3.712 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.934 2.530 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.602 1.933 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.383 2.072 1.188 1.00 0.00 H new ATOM 29 N VAL A 3 1.419 5.789 0.276 1.00 0.00 N ATOM 30 CA VAL A 3 1.429 6.370 -1.091 1.00 0.00 C ATOM 31 C VAL A 3 1.921 7.822 -1.016 1.00 0.00 C ATOM 32 O VAL A 3 2.835 8.214 -1.713 1.00 0.00 O ATOM 33 CB VAL A 3 0.002 6.299 -1.663 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.287 7.500 -2.564 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.148 5.014 -2.481 1.00 0.00 C ATOM 0 H VAL A 3 0.596 5.230 0.499 1.00 0.00 H new ATOM 0 HA VAL A 3 2.100 5.813 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.705 6.308 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.302 7.426 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.187 8.420 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.421 7.512 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.157 4.958 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.574 5.016 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.032 4.151 -1.840 1.00 0.00 H new ATOM 45 N GLU A 4 1.323 8.620 -0.175 1.00 0.00 N ATOM 46 CA GLU A 4 1.760 10.040 -0.059 1.00 0.00 C ATOM 47 C GLU A 4 3.027 10.114 0.795 1.00 0.00 C ATOM 48 O GLU A 4 3.886 10.946 0.578 1.00 0.00 O ATOM 49 CB GLU A 4 0.651 10.864 0.598 1.00 0.00 C ATOM 50 CG GLU A 4 -0.550 10.950 -0.346 1.00 0.00 C ATOM 51 CD GLU A 4 -1.413 12.154 0.031 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.081 12.816 1.001 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.391 12.396 -0.656 1.00 0.00 O ATOM 0 H GLU A 4 0.552 8.351 0.436 1.00 0.00 H new ATOM 0 HA GLU A 4 1.967 10.439 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.353 10.406 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.016 11.864 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.209 11.043 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.139 10.035 -0.286 1.00 0.00 H new ATOM 60 N GLN A 5 3.152 9.250 1.764 1.00 0.00 N ATOM 61 CA GLN A 5 4.364 9.273 2.631 1.00 0.00 C ATOM 62 C GLN A 5 5.590 8.881 1.804 1.00 0.00 C ATOM 63 O GLN A 5 6.691 9.328 2.060 1.00 0.00 O ATOM 64 CB GLN A 5 4.189 8.283 3.783 1.00 0.00 C ATOM 65 CG GLN A 5 4.825 8.856 5.052 1.00 0.00 C ATOM 66 CD GLN A 5 6.287 8.415 5.135 1.00 0.00 C ATOM 67 OE1 GLN A 5 7.152 9.022 4.537 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.602 7.376 5.860 1.00 0.00 N ATOM 0 H GLN A 5 2.468 8.529 1.993 1.00 0.00 H new ATOM 0 HA GLN A 5 4.502 10.276 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.130 8.088 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.652 7.329 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.762 9.944 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.280 8.513 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.876 6.866 6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.574 7.075 5.924 1.00 0.00 H new ATOM 77 N CYS A 6 5.412 8.049 0.815 1.00 0.00 N ATOM 78 CA CYS A 6 6.571 7.629 -0.023 1.00 0.00 C ATOM 79 C CYS A 6 6.603 8.452 -1.310 1.00 0.00 C ATOM 80 O CYS A 6 7.647 8.676 -1.888 1.00 0.00 O ATOM 81 CB CYS A 6 6.444 6.145 -0.368 1.00 0.00 C ATOM 82 SG CYS A 6 7.018 5.145 1.027 1.00 0.00 S ATOM 0 H CYS A 6 4.515 7.642 0.551 1.00 0.00 H new ATOM 0 HA CYS A 6 7.494 7.794 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.407 5.903 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.031 5.917 -1.258 1.00 0.00 H new ATOM 87 N CYS A 7 5.471 8.907 -1.764 1.00 0.00 N ATOM 88 CA CYS A 7 5.448 9.719 -3.013 1.00 0.00 C ATOM 89 C CYS A 7 5.578 11.202 -2.659 1.00 0.00 C ATOM 90 O CYS A 7 6.094 11.989 -3.426 1.00 0.00 O ATOM 91 CB CYS A 7 4.137 9.481 -3.767 1.00 0.00 C ATOM 92 SG CYS A 7 4.428 9.666 -5.544 1.00 0.00 S ATOM 0 H CYS A 7 4.562 8.753 -1.327 1.00 0.00 H new ATOM 0 HA CYS A 7 6.282 9.423 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.756 8.483 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.379 10.190 -3.435 1.00 0.00 H new ATOM 97 N THR A 8 5.127 11.586 -1.496 1.00 0.00 N ATOM 98 CA THR A 8 5.242 13.014 -1.089 1.00 0.00 C ATOM 99 C THR A 8 6.490 13.174 -0.228 1.00 0.00 C ATOM 100 O THR A 8 7.284 14.075 -0.412 1.00 0.00 O ATOM 101 CB THR A 8 4.003 13.422 -0.287 1.00 0.00 C ATOM 102 OG1 THR A 8 2.841 12.900 -0.917 1.00 0.00 O ATOM 103 CG2 THR A 8 3.911 14.947 -0.228 1.00 0.00 C ATOM 0 H THR A 8 4.685 10.973 -0.811 1.00 0.00 H new ATOM 0 HA THR A 8 5.315 13.650 -1.971 1.00 0.00 H new ATOM 0 HB THR A 8 4.078 13.025 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.042 13.287 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.029 15.236 0.343 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.803 15.347 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.836 15.346 -1.239 1.00 0.00 H new ATOM 111 N SER A 9 6.667 12.286 0.703 1.00 0.00 N ATOM 112 CA SER A 9 7.861 12.341 1.586 1.00 0.00 C ATOM 113 C SER A 9 8.800 11.193 1.210 1.00 0.00 C ATOM 114 O SER A 9 8.677 10.602 0.156 1.00 0.00 O ATOM 115 CB SER A 9 7.417 12.186 3.040 1.00 0.00 C ATOM 116 OG SER A 9 6.093 11.671 3.075 1.00 0.00 O ATOM 0 H SER A 9 6.028 11.514 0.893 1.00 0.00 H new ATOM 0 HA SER A 9 8.376 13.294 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.094 11.516 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.458 13.149 3.549 1.00 0.00 H new ATOM 0 HG SER A 9 5.806 11.569 4.007 1.00 0.00 H new ATOM 122 N ILE A 10 9.736 10.865 2.059 1.00 0.00 N ATOM 123 CA ILE A 10 10.669 9.751 1.734 1.00 0.00 C ATOM 124 C ILE A 10 10.489 8.621 2.749 1.00 0.00 C ATOM 125 O ILE A 10 10.124 8.845 3.886 1.00 0.00 O ATOM 126 CB ILE A 10 12.115 10.251 1.784 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.391 11.153 0.579 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.067 9.059 1.748 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.427 12.338 0.598 1.00 0.00 C ATOM 0 H ILE A 10 9.894 11.318 2.959 1.00 0.00 H new ATOM 0 HA ILE A 10 10.449 9.383 0.732 1.00 0.00 H new ATOM 0 HB ILE A 10 12.268 10.816 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.421 11.508 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.272 10.589 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.097 9.415 1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.876 8.415 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.909 8.495 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.623 12.981 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.401 11.973 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.568 12.907 1.517 1.00 0.00 H new ATOM 141 N CYS A 11 10.749 7.408 2.347 1.00 0.00 N ATOM 142 CA CYS A 11 10.598 6.261 3.289 1.00 0.00 C ATOM 143 C CYS A 11 11.827 5.356 3.187 1.00 0.00 C ATOM 144 O CYS A 11 12.443 5.244 2.146 1.00 0.00 O ATOM 145 CB CYS A 11 9.337 5.456 2.944 1.00 0.00 C ATOM 146 SG CYS A 11 8.989 5.566 1.169 1.00 0.00 S ATOM 0 H CYS A 11 11.059 7.160 1.408 1.00 0.00 H new ATOM 0 HA CYS A 11 10.506 6.643 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.473 4.413 3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.488 5.835 3.512 1.00 0.00 H new ATOM 151 N SER A 12 12.191 4.710 4.262 1.00 0.00 N ATOM 152 CA SER A 12 13.384 3.817 4.228 1.00 0.00 C ATOM 153 C SER A 12 12.935 2.371 4.003 1.00 0.00 C ATOM 154 O SER A 12 11.791 2.025 4.223 1.00 0.00 O ATOM 155 CB SER A 12 14.131 3.916 5.558 1.00 0.00 C ATOM 156 OG SER A 12 13.202 4.188 6.598 1.00 0.00 O ATOM 0 H SER A 12 11.714 4.762 5.162 1.00 0.00 H new ATOM 0 HA SER A 12 14.043 4.123 3.415 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.660 2.985 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.881 4.705 5.509 1.00 0.00 H new ATOM 0 HG SER A 12 13.677 4.251 7.453 1.00 0.00 H new ATOM 162 N LEU A 13 13.827 1.525 3.566 1.00 0.00 N ATOM 163 CA LEU A 13 13.453 0.102 3.329 1.00 0.00 C ATOM 164 C LEU A 13 12.863 -0.490 4.610 1.00 0.00 C ATOM 165 O LEU A 13 11.837 -1.141 4.587 1.00 0.00 O ATOM 166 CB LEU A 13 14.695 -0.693 2.921 1.00 0.00 C ATOM 167 CG LEU A 13 15.195 -0.199 1.563 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.191 0.943 1.766 1.00 0.00 C ATOM 169 CD2 LEU A 13 15.883 -1.348 0.824 1.00 0.00 C ATOM 0 H LEU A 13 14.799 1.758 3.363 1.00 0.00 H new ATOM 0 HA LEU A 13 12.713 0.049 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.477 -0.577 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.458 -1.756 2.868 1.00 0.00 H new ATOM 0 HG LEU A 13 14.349 0.158 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.546 1.293 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.702 1.763 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.037 0.588 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.240 -0.996 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.727 -1.706 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.173 -2.162 0.675 1.00 0.00 H new ATOM 181 N TYR A 14 13.496 -0.265 5.730 1.00 0.00 N ATOM 182 CA TYR A 14 12.958 -0.813 7.006 1.00 0.00 C ATOM 183 C TYR A 14 11.472 -0.472 7.101 1.00 0.00 C ATOM 184 O TYR A 14 10.643 -1.326 7.348 1.00 0.00 O ATOM 185 CB TYR A 14 13.704 -0.189 8.187 1.00 0.00 C ATOM 186 CG TYR A 14 13.199 -0.793 9.476 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.333 -2.169 9.705 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.598 0.024 10.444 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.864 -2.728 10.902 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.130 -0.536 11.641 1.00 0.00 C ATOM 191 CZ TYR A 14 12.264 -1.912 11.869 1.00 0.00 C ATOM 192 OH TYR A 14 11.803 -2.464 13.048 1.00 0.00 O ATOM 0 H TYR A 14 14.359 0.272 5.815 1.00 0.00 H new ATOM 0 HA TYR A 14 13.092 -1.894 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.775 -0.362 8.087 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.555 0.891 8.196 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.797 -2.798 8.960 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.496 1.085 10.268 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.965 -3.789 11.078 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.667 0.093 12.387 1.00 0.00 H new ATOM 0 HH TYR A 14 11.416 -1.760 13.609 1.00 0.00 H new ATOM 202 N GLN A 15 11.127 0.769 6.894 1.00 0.00 N ATOM 203 CA GLN A 15 9.694 1.163 6.961 1.00 0.00 C ATOM 204 C GLN A 15 8.962 0.565 5.760 1.00 0.00 C ATOM 205 O GLN A 15 7.809 0.189 5.843 1.00 0.00 O ATOM 206 CB GLN A 15 9.577 2.688 6.921 1.00 0.00 C ATOM 207 CG GLN A 15 10.155 3.280 8.208 1.00 0.00 C ATOM 208 CD GLN A 15 9.017 3.603 9.178 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.623 2.770 9.969 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.469 4.788 9.149 1.00 0.00 N ATOM 0 H GLN A 15 11.776 1.526 6.681 1.00 0.00 H new ATOM 0 HA GLN A 15 9.253 0.795 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.111 3.081 6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.533 2.980 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.848 2.574 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.722 4.183 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.801 5.487 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.709 5.014 9.791 1.00 0.00 H new ATOM 219 N LEU A 16 9.629 0.472 4.643 1.00 0.00 N ATOM 220 CA LEU A 16 8.985 -0.105 3.431 1.00 0.00 C ATOM 221 C LEU A 16 8.788 -1.606 3.630 1.00 0.00 C ATOM 222 O LEU A 16 7.974 -2.230 2.978 1.00 0.00 O ATOM 223 CB LEU A 16 9.883 0.141 2.216 1.00 0.00 C ATOM 224 CG LEU A 16 9.088 0.864 1.126 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.870 2.091 0.655 1.00 0.00 C ATOM 226 CD2 LEU A 16 8.867 -0.079 -0.056 1.00 0.00 C ATOM 0 H LEU A 16 10.596 0.772 4.518 1.00 0.00 H new ATOM 0 HA LEU A 16 8.017 0.368 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.748 0.738 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.263 -0.807 1.835 1.00 0.00 H new ATOM 0 HG LEU A 16 8.124 1.176 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.305 2.607 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.030 2.766 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.834 1.776 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.301 0.436 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.831 -0.391 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.311 -0.956 0.277 1.00 0.00 H new ATOM 238 N GLU A 17 9.525 -2.193 4.532 1.00 0.00 N ATOM 239 CA GLU A 17 9.375 -3.654 4.776 1.00 0.00 C ATOM 240 C GLU A 17 8.149 -3.891 5.652 1.00 0.00 C ATOM 241 O GLU A 17 7.622 -4.984 5.722 1.00 0.00 O ATOM 242 CB GLU A 17 10.624 -4.192 5.478 1.00 0.00 C ATOM 243 CG GLU A 17 11.797 -4.204 4.496 1.00 0.00 C ATOM 244 CD GLU A 17 12.885 -5.147 5.010 1.00 0.00 C ATOM 245 OE1 GLU A 17 12.537 -6.185 5.547 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.049 -4.814 4.857 1.00 0.00 O ATOM 0 H GLU A 17 10.223 -1.725 5.109 1.00 0.00 H new ATOM 0 HA GLU A 17 9.251 -4.173 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.865 -3.571 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.439 -5.199 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.457 -4.526 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.199 -3.197 4.381 1.00 0.00 H new ATOM 253 N ASN A 18 7.676 -2.868 6.304 1.00 0.00 N ATOM 254 CA ASN A 18 6.467 -3.022 7.154 1.00 0.00 C ATOM 255 C ASN A 18 5.239 -3.106 6.248 1.00 0.00 C ATOM 256 O ASN A 18 4.120 -3.235 6.707 1.00 0.00 O ATOM 257 CB ASN A 18 6.337 -1.803 8.068 1.00 0.00 C ATOM 258 CG ASN A 18 6.922 -2.128 9.444 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.893 -1.527 9.860 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.369 -3.058 10.173 1.00 0.00 N ATOM 0 H ASN A 18 8.076 -1.930 6.284 1.00 0.00 H new ATOM 0 HA ASN A 18 6.547 -3.925 7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.859 -0.951 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.289 -1.519 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.752 -3.281 11.092 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.554 -3.562 9.824 1.00 0.00 H new ATOM 267 N TYR A 19 5.440 -3.016 4.960 1.00 0.00 N ATOM 268 CA TYR A 19 4.300 -3.072 4.013 1.00 0.00 C ATOM 269 C TYR A 19 4.281 -4.425 3.301 1.00 0.00 C ATOM 270 O TYR A 19 3.399 -4.713 2.514 1.00 0.00 O ATOM 271 CB TYR A 19 4.474 -1.945 3.001 1.00 0.00 C ATOM 272 CG TYR A 19 4.288 -0.622 3.712 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.008 -0.058 3.830 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.394 0.035 4.268 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.840 1.161 4.500 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.224 1.252 4.939 1.00 0.00 C ATOM 277 CZ TYR A 19 3.947 1.816 5.055 1.00 0.00 C ATOM 278 OH TYR A 19 3.780 3.015 5.717 1.00 0.00 O ATOM 0 H TYR A 19 6.356 -2.905 4.524 1.00 0.00 H new ATOM 0 HA TYR A 19 3.356 -2.955 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.464 -1.994 2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.748 -2.046 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.153 -0.563 3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.379 -0.398 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.856 1.596 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.078 1.756 5.367 1.00 0.00 H new ATOM 0 HH TYR A 19 4.648 3.333 6.041 1.00 0.00 H new ATOM 288 N CYS A 20 5.246 -5.260 3.570 1.00 0.00 N ATOM 289 CA CYS A 20 5.282 -6.593 2.911 1.00 0.00 C ATOM 290 C CYS A 20 4.432 -7.578 3.717 1.00 0.00 C ATOM 291 O CYS A 20 4.092 -7.329 4.857 1.00 0.00 O ATOM 292 CB CYS A 20 6.725 -7.095 2.849 1.00 0.00 C ATOM 293 SG CYS A 20 7.835 -5.720 2.459 1.00 0.00 S ATOM 0 H CYS A 20 6.011 -5.076 4.219 1.00 0.00 H new ATOM 0 HA CYS A 20 4.885 -6.511 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.006 -7.542 3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.817 -7.874 2.093 1.00 0.00 H new ATOM 298 N ASN A 21 4.084 -8.693 3.138 1.00 0.00 N ATOM 299 CA ASN A 21 3.256 -9.689 3.875 1.00 0.00 C ATOM 300 C ASN A 21 3.986 -11.032 3.915 1.00 0.00 C ATOM 301 O ASN A 21 3.328 -12.047 3.762 1.00 0.00 O ATOM 302 CB ASN A 21 1.914 -9.861 3.162 1.00 0.00 C ATOM 303 CG ASN A 21 0.774 -9.545 4.134 1.00 0.00 C ATOM 304 OD1 ASN A 21 0.373 -10.463 4.970 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 0.245 -8.452 4.132 1.00 0.00 N flip ATOM 306 OXT ASN A 21 5.193 -11.024 4.099 1.00 0.00 O ATOM 0 H ASN A 21 4.337 -8.958 2.186 1.00 0.00 H new ATOM 0 HA ASN A 21 3.087 -9.338 4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.862 -9.200 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.816 -10.881 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.559 -7.735 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.513 -8.251 4.784 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 18.858 1.692 -1.270 1.00 0.00 N ATOM 315 CA PHE B 1 18.522 3.075 -1.711 1.00 0.00 C ATOM 316 C PHE B 1 18.999 4.077 -0.659 1.00 0.00 C ATOM 317 O PHE B 1 19.577 3.710 0.345 1.00 0.00 O ATOM 318 CB PHE B 1 17.005 3.203 -1.885 1.00 0.00 C ATOM 319 CG PHE B 1 16.524 2.278 -2.984 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.438 1.697 -3.877 1.00 0.00 C ATOM 321 CD2 PHE B 1 15.155 2.004 -3.110 1.00 0.00 C ATOM 322 CE1 PHE B 1 16.982 0.845 -4.891 1.00 0.00 C ATOM 323 CE2 PHE B 1 14.701 1.151 -4.124 1.00 0.00 C ATOM 324 CZ PHE B 1 15.614 0.571 -5.015 1.00 0.00 C ATOM 0 H1 PHE B 1 18.445 1.006 -1.934 1.00 0.00 H new ATOM 0 H2 PHE B 1 19.891 1.575 -1.250 1.00 0.00 H new ATOM 0 H3 PHE B 1 18.472 1.528 -0.318 1.00 0.00 H new ATOM 0 HA PHE B 1 19.016 3.282 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE B 1 16.503 2.959 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.745 4.233 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.493 1.907 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE B 1 14.450 2.451 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.686 0.399 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.646 0.940 -4.219 1.00 0.00 H new ATOM 0 HZ PHE B 1 15.263 -0.087 -5.797 1.00 0.00 H new ATOM 336 N VAL B 2 18.763 5.341 -0.881 1.00 0.00 N ATOM 337 CA VAL B 2 19.206 6.366 0.106 1.00 0.00 C ATOM 338 C VAL B 2 18.137 7.455 0.216 1.00 0.00 C ATOM 339 O VAL B 2 18.286 8.540 -0.310 1.00 0.00 O ATOM 340 CB VAL B 2 20.532 6.999 -0.342 1.00 0.00 C ATOM 341 CG1 VAL B 2 21.477 7.091 0.856 1.00 0.00 C ATOM 342 CG2 VAL B 2 21.187 6.143 -1.432 1.00 0.00 C ATOM 0 H VAL B 2 18.283 5.708 -1.703 1.00 0.00 H new ATOM 0 HA VAL B 2 19.352 5.887 1.074 1.00 0.00 H new ATOM 0 HB VAL B 2 20.333 7.994 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.420 7.540 0.542 1.00 0.00 H new ATOM 0 HG12 VAL B 2 21.022 7.707 1.632 1.00 0.00 H new ATOM 0 HG13 VAL B 2 21.664 6.092 1.249 1.00 0.00 H new ATOM 0 HG21 VAL B 2 22.126 6.603 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL B 2 21.383 5.144 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL B 2 20.518 6.072 -2.290 1.00 0.00 H new ATOM 352 N ASN B 3 17.059 7.172 0.894 1.00 0.00 N ATOM 353 CA ASN B 3 15.978 8.189 1.036 1.00 0.00 C ATOM 354 C ASN B 3 15.475 8.593 -0.347 1.00 0.00 C ATOM 355 O ASN B 3 16.146 9.285 -1.089 1.00 0.00 O ATOM 356 CB ASN B 3 16.520 9.420 1.765 1.00 0.00 C ATOM 357 CG ASN B 3 17.509 8.981 2.845 1.00 0.00 C ATOM 358 OD1 ASN B 3 18.699 9.183 2.714 1.00 0.00 O ATOM 359 ND2 ASN B 3 17.062 8.383 3.916 1.00 0.00 N ATOM 0 H ASN B 3 16.880 6.281 1.356 1.00 0.00 H new ATOM 0 HA ASN B 3 15.156 7.764 1.612 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.011 10.088 1.057 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.700 9.980 2.214 1.00 0.00 H new ATOM 0 HD21 ASN B 3 17.713 8.085 4.643 1.00 0.00 H new ATOM 0 HD22 ASN B 3 16.062 8.213 4.026 1.00 0.00 H new ATOM 366 N GLN B 4 14.303 8.152 -0.703 1.00 0.00 N ATOM 367 CA GLN B 4 13.757 8.489 -2.038 1.00 0.00 C ATOM 368 C GLN B 4 12.226 8.467 -1.990 1.00 0.00 C ATOM 369 O GLN B 4 11.630 8.022 -1.028 1.00 0.00 O ATOM 370 CB GLN B 4 14.260 7.443 -3.021 1.00 0.00 C ATOM 371 CG GLN B 4 13.469 7.522 -4.327 1.00 0.00 C ATOM 372 CD GLN B 4 14.078 6.562 -5.351 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.191 6.103 -5.183 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.392 6.237 -6.412 1.00 0.00 N ATOM 0 H GLN B 4 13.699 7.570 -0.122 1.00 0.00 H new ATOM 0 HA GLN B 4 14.078 9.484 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.320 7.600 -3.219 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.161 6.448 -2.587 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.425 7.265 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.485 8.541 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.458 6.622 -6.553 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.790 5.598 -7.100 1.00 0.00 H new ATOM 383 N HIS B 5 11.586 8.952 -3.021 1.00 0.00 N ATOM 384 CA HIS B 5 10.099 8.967 -3.040 1.00 0.00 C ATOM 385 C HIS B 5 9.586 7.854 -3.959 1.00 0.00 C ATOM 386 O HIS B 5 10.105 7.637 -5.036 1.00 0.00 O ATOM 387 CB HIS B 5 9.609 10.318 -3.568 1.00 0.00 C ATOM 388 CG HIS B 5 10.365 11.437 -2.902 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.743 11.446 -2.846 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.924 12.575 -2.284 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.095 12.570 -2.207 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.015 13.293 -1.845 1.00 0.00 N ATOM 0 H HIS B 5 12.033 9.339 -3.852 1.00 0.00 H new ATOM 0 HA HIS B 5 9.725 8.809 -2.029 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.747 10.367 -4.648 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.541 10.426 -3.378 1.00 0.00 H new ATOM 0 HD2 HIS B 5 8.891 12.863 -2.161 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.116 12.861 -2.007 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.008 14.185 -1.350 1.00 0.00 H new ATOM 400 N LEU B 6 8.567 7.152 -3.546 1.00 0.00 N ATOM 401 CA LEU B 6 8.017 6.059 -4.397 1.00 0.00 C ATOM 402 C LEU B 6 6.576 6.403 -4.787 1.00 0.00 C ATOM 403 O LEU B 6 6.090 7.477 -4.493 1.00 0.00 O ATOM 404 CB LEU B 6 8.052 4.741 -3.614 1.00 0.00 C ATOM 405 CG LEU B 6 9.409 4.048 -3.814 1.00 0.00 C ATOM 406 CD1 LEU B 6 10.536 5.086 -3.833 1.00 0.00 C ATOM 407 CD2 LEU B 6 9.654 3.070 -2.662 1.00 0.00 C ATOM 0 H LEU B 6 8.091 7.288 -2.654 1.00 0.00 H new ATOM 0 HA LEU B 6 8.617 5.951 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.885 4.933 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.247 4.087 -3.950 1.00 0.00 H new ATOM 0 HG LEU B 6 9.395 3.514 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.492 4.582 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.370 5.788 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.548 5.627 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU B 6 10.616 2.577 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.659 3.614 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.862 2.321 -2.645 1.00 0.00 H new ATOM 419 N CYS B 7 5.887 5.512 -5.452 1.00 0.00 N ATOM 420 CA CYS B 7 4.484 5.820 -5.854 1.00 0.00 C ATOM 421 C CYS B 7 3.829 4.591 -6.480 1.00 0.00 C ATOM 422 O CYS B 7 4.285 4.078 -7.480 1.00 0.00 O ATOM 423 CB CYS B 7 4.482 6.950 -6.884 1.00 0.00 C ATOM 424 SG CYS B 7 3.294 8.221 -6.383 1.00 0.00 S ATOM 0 H CYS B 7 6.232 4.594 -5.731 1.00 0.00 H new ATOM 0 HA CYS B 7 3.927 6.117 -4.965 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.479 7.382 -6.968 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.220 6.560 -7.867 1.00 0.00 H new ATOM 429 N GLY B 8 2.747 4.137 -5.905 1.00 0.00 N ATOM 430 CA GLY B 8 2.024 2.956 -6.460 1.00 0.00 C ATOM 431 C GLY B 8 3.009 1.926 -7.013 1.00 0.00 C ATOM 432 O GLY B 8 3.467 1.049 -6.308 1.00 0.00 O ATOM 0 H GLY B 8 2.329 4.539 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.413 2.500 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.346 3.278 -7.250 1.00 0.00 H new ATOM 436 N SER B 9 3.333 2.022 -8.273 1.00 0.00 N ATOM 437 CA SER B 9 4.282 1.044 -8.872 1.00 0.00 C ATOM 438 C SER B 9 5.602 1.095 -8.109 1.00 0.00 C ATOM 439 O SER B 9 5.999 0.133 -7.490 1.00 0.00 O ATOM 440 CB SER B 9 4.523 1.395 -10.341 1.00 0.00 C ATOM 441 OG SER B 9 5.709 0.754 -10.789 1.00 0.00 O ATOM 0 H SER B 9 2.982 2.735 -8.912 1.00 0.00 H new ATOM 0 HA SER B 9 3.862 0.040 -8.809 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.674 1.078 -10.946 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.613 2.475 -10.459 1.00 0.00 H new ATOM 0 HG SER B 9 5.865 0.976 -11.731 1.00 0.00 H new ATOM 447 N ASP B 10 6.280 2.210 -8.135 1.00 0.00 N ATOM 448 CA ASP B 10 7.566 2.303 -7.389 1.00 0.00 C ATOM 449 C ASP B 10 7.354 1.707 -5.998 1.00 0.00 C ATOM 450 O ASP B 10 8.238 1.103 -5.425 1.00 0.00 O ATOM 451 CB ASP B 10 7.984 3.770 -7.267 1.00 0.00 C ATOM 452 CG ASP B 10 8.957 4.118 -8.395 1.00 0.00 C ATOM 453 OD1 ASP B 10 8.621 3.864 -9.541 1.00 0.00 O ATOM 454 OD2 ASP B 10 10.021 4.634 -8.095 1.00 0.00 O ATOM 0 H ASP B 10 6.002 3.054 -8.636 1.00 0.00 H new ATOM 0 HA ASP B 10 8.350 1.759 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.107 4.415 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.454 3.946 -6.299 1.00 0.00 H new ATOM 459 N LEU B 11 6.170 1.853 -5.463 1.00 0.00 N ATOM 460 CA LEU B 11 5.882 1.274 -4.124 1.00 0.00 C ATOM 461 C LEU B 11 5.819 -0.245 -4.267 1.00 0.00 C ATOM 462 O LEU B 11 6.486 -0.973 -3.560 1.00 0.00 O ATOM 463 CB LEU B 11 4.542 1.802 -3.611 1.00 0.00 C ATOM 464 CG LEU B 11 4.762 3.140 -2.901 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.408 3.775 -2.581 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.535 2.904 -1.603 1.00 0.00 C ATOM 0 H LEU B 11 5.392 2.349 -5.898 1.00 0.00 H new ATOM 0 HA LEU B 11 6.661 1.554 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.846 1.928 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.094 1.083 -2.925 1.00 0.00 H new ATOM 0 HG LEU B 11 5.332 3.807 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.563 4.728 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.856 3.941 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.838 3.109 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.693 3.856 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.965 2.238 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.499 2.450 -1.831 1.00 0.00 H new ATOM 478 N VAL B 12 5.047 -0.724 -5.204 1.00 0.00 N ATOM 479 CA VAL B 12 4.969 -2.191 -5.423 1.00 0.00 C ATOM 480 C VAL B 12 6.320 -2.649 -5.983 1.00 0.00 C ATOM 481 O VAL B 12 6.650 -3.818 -5.986 1.00 0.00 O ATOM 482 CB VAL B 12 3.827 -2.511 -6.413 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.758 -1.423 -6.353 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.356 -2.607 -7.850 1.00 0.00 C ATOM 0 H VAL B 12 4.468 -0.160 -5.826 1.00 0.00 H new ATOM 0 HA VAL B 12 4.757 -2.714 -4.490 1.00 0.00 H new ATOM 0 HB VAL B 12 3.397 -3.471 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.958 -1.659 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.350 -1.369 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.201 -0.463 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.532 -2.833 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.810 -1.658 -8.135 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.103 -3.399 -7.911 1.00 0.00 H new ATOM 494 N GLU B 13 7.098 -1.711 -6.456 1.00 0.00 N ATOM 495 CA GLU B 13 8.429 -2.032 -7.022 1.00 0.00 C ATOM 496 C GLU B 13 9.438 -2.066 -5.878 1.00 0.00 C ATOM 497 O GLU B 13 10.121 -3.047 -5.668 1.00 0.00 O ATOM 498 CB GLU B 13 8.796 -0.946 -8.031 1.00 0.00 C ATOM 499 CG GLU B 13 8.618 -1.490 -9.448 1.00 0.00 C ATOM 500 CD GLU B 13 9.139 -0.467 -10.459 1.00 0.00 C ATOM 501 OE1 GLU B 13 8.478 0.543 -10.644 1.00 0.00 O ATOM 502 OE2 GLU B 13 10.189 -0.708 -11.031 1.00 0.00 O ATOM 0 H GLU B 13 6.857 -0.720 -6.471 1.00 0.00 H new ATOM 0 HA GLU B 13 8.426 -2.999 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.165 -0.069 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.827 -0.626 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.157 -2.431 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.566 -1.701 -9.638 1.00 0.00 H new ATOM 509 N ALA B 14 9.512 -1.016 -5.105 1.00 0.00 N ATOM 510 CA ALA B 14 10.447 -1.030 -3.952 1.00 0.00 C ATOM 511 C ALA B 14 10.016 -2.182 -3.052 1.00 0.00 C ATOM 512 O ALA B 14 10.796 -3.048 -2.709 1.00 0.00 O ATOM 513 CB ALA B 14 10.355 0.291 -3.186 1.00 0.00 C ATOM 0 H ALA B 14 8.970 -0.160 -5.223 1.00 0.00 H new ATOM 0 HA ALA B 14 11.477 -1.154 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.045 0.271 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.617 1.115 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.338 0.429 -2.820 1.00 0.00 H new ATOM 519 N LEU B 15 8.754 -2.222 -2.711 1.00 0.00 N ATOM 520 CA LEU B 15 8.242 -3.335 -1.884 1.00 0.00 C ATOM 521 C LEU B 15 8.647 -4.629 -2.576 1.00 0.00 C ATOM 522 O LEU B 15 9.116 -5.566 -1.967 1.00 0.00 O ATOM 523 CB LEU B 15 6.720 -3.238 -1.824 1.00 0.00 C ATOM 524 CG LEU B 15 6.313 -2.230 -0.752 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.141 -1.389 -1.262 1.00 0.00 C ATOM 526 CD2 LEU B 15 5.892 -2.978 0.511 1.00 0.00 C ATOM 0 H LEU B 15 8.059 -1.524 -2.975 1.00 0.00 H new ATOM 0 HA LEU B 15 8.642 -3.300 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.327 -2.932 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.292 -4.215 -1.600 1.00 0.00 H new ATOM 0 HG LEU B 15 7.156 -1.577 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.850 -0.669 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.440 -0.858 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.297 -2.040 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU B 15 5.601 -2.261 1.279 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.048 -3.629 0.284 1.00 0.00 H new ATOM 0 HD23 LEU B 15 6.726 -3.578 0.873 1.00 0.00 H new ATOM 538 N TYR B 16 8.482 -4.662 -3.867 1.00 0.00 N ATOM 539 CA TYR B 16 8.866 -5.862 -4.653 1.00 0.00 C ATOM 540 C TYR B 16 10.264 -6.310 -4.238 1.00 0.00 C ATOM 541 O TYR B 16 10.514 -7.470 -3.988 1.00 0.00 O ATOM 542 CB TYR B 16 8.905 -5.478 -6.129 1.00 0.00 C ATOM 543 CG TYR B 16 7.908 -6.301 -6.906 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.836 -7.685 -6.708 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.054 -5.678 -7.826 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.909 -8.448 -7.429 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.127 -6.442 -8.549 1.00 0.00 C ATOM 548 CZ TYR B 16 6.054 -7.827 -8.350 1.00 0.00 C ATOM 549 OH TYR B 16 5.141 -8.579 -9.061 1.00 0.00 O ATOM 0 H TYR B 16 8.092 -3.897 -4.417 1.00 0.00 H new ATOM 0 HA TYR B 16 8.150 -6.665 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.680 -4.418 -6.243 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.907 -5.636 -6.527 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.495 -8.164 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.110 -4.610 -7.978 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.853 -9.516 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.469 -5.963 -9.259 1.00 0.00 H new ATOM 0 HH TYR B 16 4.626 -7.993 -9.655 1.00 0.00 H new ATOM 559 N LEU B 17 11.181 -5.389 -4.191 1.00 0.00 N ATOM 560 CA LEU B 17 12.581 -5.730 -3.824 1.00 0.00 C ATOM 561 C LEU B 17 12.697 -5.961 -2.312 1.00 0.00 C ATOM 562 O LEU B 17 13.137 -7.002 -1.867 1.00 0.00 O ATOM 563 CB LEU B 17 13.482 -4.564 -4.233 1.00 0.00 C ATOM 564 CG LEU B 17 14.882 -5.074 -4.588 1.00 0.00 C ATOM 565 CD1 LEU B 17 15.308 -6.173 -3.610 1.00 0.00 C ATOM 566 CD2 LEU B 17 14.864 -5.632 -6.011 1.00 0.00 C ATOM 0 H LEU B 17 11.019 -4.403 -4.394 1.00 0.00 H new ATOM 0 HA LEU B 17 12.882 -6.644 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.050 -4.044 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.546 -3.842 -3.419 1.00 0.00 H new ATOM 0 HG LEU B 17 15.593 -4.251 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU B 17 16.305 -6.527 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU B 17 15.321 -5.773 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.602 -7.002 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU B 17 15.857 -5.997 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU B 17 14.149 -6.452 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.573 -4.845 -6.707 1.00 0.00 H new ATOM 578 N VAL B 18 12.321 -4.994 -1.522 1.00 0.00 N ATOM 579 CA VAL B 18 12.429 -5.159 -0.038 1.00 0.00 C ATOM 580 C VAL B 18 11.564 -6.334 0.423 1.00 0.00 C ATOM 581 O VAL B 18 11.899 -7.037 1.355 1.00 0.00 O ATOM 582 CB VAL B 18 11.958 -3.885 0.667 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.133 -2.919 0.821 1.00 0.00 C ATOM 584 CG2 VAL B 18 10.855 -3.216 -0.151 1.00 0.00 C ATOM 0 H VAL B 18 11.945 -4.099 -1.834 1.00 0.00 H new ATOM 0 HA VAL B 18 13.472 -5.352 0.215 1.00 0.00 H new ATOM 0 HB VAL B 18 11.569 -4.146 1.651 1.00 0.00 H new ATOM 0 HG11 VAL B 18 12.795 -2.012 1.323 1.00 0.00 H new ATOM 0 HG12 VAL B 18 13.917 -3.391 1.413 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.526 -2.664 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.524 -2.310 0.357 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.239 -2.959 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.013 -3.901 -0.256 1.00 0.00 H new ATOM 594 N CYS B 19 10.458 -6.553 -0.225 1.00 0.00 N ATOM 595 CA CYS B 19 9.568 -7.681 0.166 1.00 0.00 C ATOM 596 C CYS B 19 9.948 -8.904 -0.663 1.00 0.00 C ATOM 597 O CYS B 19 10.056 -10.006 -0.163 1.00 0.00 O ATOM 598 CB CYS B 19 8.115 -7.301 -0.120 1.00 0.00 C ATOM 599 SG CYS B 19 7.810 -5.606 0.441 1.00 0.00 S ATOM 0 H CYS B 19 10.129 -5.997 -1.014 1.00 0.00 H new ATOM 0 HA CYS B 19 9.679 -7.900 1.228 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.910 -7.384 -1.187 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.441 -7.990 0.389 1.00 0.00 H new ATOM 604 N GLY B 20 10.166 -8.707 -1.931 1.00 0.00 N ATOM 605 CA GLY B 20 10.556 -9.839 -2.811 1.00 0.00 C ATOM 606 C GLY B 20 9.667 -11.051 -2.529 1.00 0.00 C ATOM 607 O GLY B 20 8.456 -10.961 -2.542 1.00 0.00 O ATOM 0 H GLY B 20 10.090 -7.804 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.464 -9.546 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.601 -10.098 -2.643 1.00 0.00 H new ATOM 611 N GLU B 21 10.260 -12.186 -2.281 1.00 0.00 N ATOM 612 CA GLU B 21 9.451 -13.406 -2.006 1.00 0.00 C ATOM 613 C GLU B 21 8.585 -13.181 -0.766 1.00 0.00 C ATOM 614 O GLU B 21 7.659 -13.921 -0.501 1.00 0.00 O ATOM 615 CB GLU B 21 10.384 -14.595 -1.769 1.00 0.00 C ATOM 616 CG GLU B 21 10.493 -15.422 -3.052 1.00 0.00 C ATOM 617 CD GLU B 21 9.548 -16.621 -2.967 1.00 0.00 C ATOM 618 OE1 GLU B 21 9.399 -17.157 -1.881 1.00 0.00 O ATOM 619 OE2 GLU B 21 8.988 -16.982 -3.989 1.00 0.00 O ATOM 0 H GLU B 21 11.271 -12.321 -2.257 1.00 0.00 H new ATOM 0 HA GLU B 21 8.808 -13.613 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.370 -14.242 -1.466 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.003 -15.213 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.241 -14.807 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.519 -15.763 -3.192 1.00 0.00 H new ATOM 626 N ARG B 22 8.874 -12.162 -0.005 1.00 0.00 N ATOM 627 CA ARG B 22 8.063 -11.894 1.215 1.00 0.00 C ATOM 628 C ARG B 22 6.642 -11.503 0.801 1.00 0.00 C ATOM 629 O ARG B 22 5.748 -11.420 1.620 1.00 0.00 O ATOM 630 CB ARG B 22 8.698 -10.751 2.010 1.00 0.00 C ATOM 631 CG ARG B 22 10.140 -11.119 2.366 1.00 0.00 C ATOM 632 CD ARG B 22 10.148 -12.000 3.615 1.00 0.00 C ATOM 633 NE ARG B 22 11.533 -12.485 3.875 1.00 0.00 N ATOM 634 CZ ARG B 22 11.739 -13.434 4.747 1.00 0.00 C ATOM 635 NH1 ARG B 22 10.924 -13.579 5.756 1.00 0.00 N ATOM 636 NH2 ARG B 22 12.759 -14.237 4.611 1.00 0.00 N ATOM 0 H ARG B 22 9.635 -11.505 -0.175 1.00 0.00 H new ATOM 0 HA ARG B 22 8.029 -12.789 1.836 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.680 -9.832 1.424 1.00 0.00 H new ATOM 0 HB3 ARG B 22 8.125 -10.562 2.918 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.608 -11.645 1.534 1.00 0.00 H new ATOM 0 HG3 ARG B 22 10.724 -10.216 2.541 1.00 0.00 H new ATOM 0 HD2 ARG B 22 9.782 -11.436 4.473 1.00 0.00 H new ATOM 0 HD3 ARG B 22 9.475 -12.846 3.480 1.00 0.00 H new ATOM 0 HE ARG B 22 12.320 -12.075 3.372 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.127 -12.951 5.862 1.00 0.00 H new ATOM 0 HH12 ARG B 22 11.084 -14.320 6.438 1.00 0.00 H new ATOM 0 HH21 ARG B 22 13.396 -14.123 3.823 1.00 0.00 H new ATOM 0 HH22 ARG B 22 12.919 -14.978 5.293 1.00 0.00 H new ATOM 650 N GLY B 23 6.428 -11.263 -0.464 1.00 0.00 N ATOM 651 CA GLY B 23 5.066 -10.880 -0.930 1.00 0.00 C ATOM 652 C GLY B 23 4.670 -9.543 -0.302 1.00 0.00 C ATOM 653 O GLY B 23 4.712 -9.376 0.900 1.00 0.00 O ATOM 0 H GLY B 23 7.138 -11.316 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY B 23 5.050 -10.802 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.346 -11.651 -0.655 1.00 0.00 H new ATOM 657 N PHE B 24 4.285 -8.588 -1.104 1.00 0.00 N ATOM 658 CA PHE B 24 3.888 -7.264 -0.549 1.00 0.00 C ATOM 659 C PHE B 24 2.482 -6.909 -1.037 1.00 0.00 C ATOM 660 O PHE B 24 2.035 -7.381 -2.062 1.00 0.00 O ATOM 661 CB PHE B 24 4.878 -6.195 -1.016 1.00 0.00 C ATOM 662 CG PHE B 24 4.680 -5.928 -2.488 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.610 -5.131 -2.917 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.564 -6.476 -3.425 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.425 -4.882 -4.283 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.380 -6.227 -4.792 1.00 0.00 C ATOM 667 CZ PHE B 24 4.310 -5.430 -5.221 1.00 0.00 C ATOM 0 H PHE B 24 4.228 -8.668 -2.119 1.00 0.00 H new ATOM 0 HA PHE B 24 3.894 -7.310 0.540 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.732 -5.277 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.900 -6.526 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE B 24 2.928 -4.709 -2.194 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.388 -7.091 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.600 -4.268 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.063 -6.649 -5.515 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.168 -5.238 -6.274 1.00 0.00 H new ATOM 677 N PHE B 25 1.781 -6.080 -0.313 1.00 0.00 N ATOM 678 CA PHE B 25 0.405 -5.701 -0.742 1.00 0.00 C ATOM 679 C PHE B 25 0.301 -4.178 -0.848 1.00 0.00 C ATOM 680 O PHE B 25 0.033 -3.497 0.122 1.00 0.00 O ATOM 681 CB PHE B 25 -0.611 -6.212 0.281 1.00 0.00 C ATOM 682 CG PHE B 25 -0.357 -5.557 1.617 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.754 -5.936 2.382 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.231 -4.570 2.093 1.00 0.00 C ATOM 685 CE1 PHE B 25 0.991 -5.328 3.622 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.995 -3.963 3.333 1.00 0.00 C ATOM 687 CZ PHE B 25 0.117 -4.343 4.097 1.00 0.00 C ATOM 0 H PHE B 25 2.100 -5.650 0.555 1.00 0.00 H new ATOM 0 HA PHE B 25 0.196 -6.147 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.624 -5.992 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.534 -7.295 0.375 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.428 -6.697 2.016 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.087 -4.277 1.503 1.00 0.00 H new ATOM 0 HE1 PHE B 25 1.848 -5.619 4.211 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.669 -3.203 3.700 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.300 -3.875 5.053 1.00 0.00 H new ATOM 697 N TYR B 26 0.507 -3.640 -2.018 1.00 0.00 N ATOM 698 CA TYR B 26 0.415 -2.162 -2.184 1.00 0.00 C ATOM 699 C TYR B 26 -1.024 -1.715 -1.909 1.00 0.00 C ATOM 700 O TYR B 26 -1.969 -2.281 -2.418 1.00 0.00 O ATOM 701 CB TYR B 26 0.814 -1.784 -3.616 1.00 0.00 C ATOM 702 CG TYR B 26 0.337 -0.384 -3.928 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.885 0.712 -3.249 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.659 -0.183 -4.894 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.437 2.008 -3.534 1.00 0.00 C ATOM 706 CE2 TYR B 26 -1.106 1.113 -5.181 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.558 2.209 -4.500 1.00 0.00 C ATOM 708 OH TYR B 26 -1.001 3.486 -4.782 1.00 0.00 O ATOM 0 H TYR B 26 0.735 -4.159 -2.866 1.00 0.00 H new ATOM 0 HA TYR B 26 1.088 -1.668 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR B 26 1.897 -1.843 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.381 -2.492 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.653 0.558 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -1.082 -1.028 -5.417 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.858 2.853 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.872 1.268 -5.926 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.692 3.447 -5.476 1.00 0.00 H new ATOM 718 N THR B 27 -1.197 -0.700 -1.106 1.00 0.00 N ATOM 719 CA THR B 27 -2.573 -0.217 -0.800 1.00 0.00 C ATOM 720 C THR B 27 -3.040 0.728 -1.911 1.00 0.00 C ATOM 721 O THR B 27 -2.270 1.130 -2.760 1.00 0.00 O ATOM 722 CB THR B 27 -2.565 0.532 0.535 1.00 0.00 C ATOM 723 OG1 THR B 27 -1.361 1.277 0.652 1.00 0.00 O ATOM 724 CG2 THR B 27 -2.662 -0.471 1.687 1.00 0.00 C ATOM 0 H THR B 27 -0.445 -0.185 -0.649 1.00 0.00 H new ATOM 0 HA THR B 27 -3.251 -1.068 -0.736 1.00 0.00 H new ATOM 0 HB THR B 27 -3.417 1.211 0.576 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.356 1.758 1.506 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.656 0.064 2.637 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.587 -1.040 1.597 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.812 -1.152 1.649 1.00 0.00 H new ATOM 732 N LYS B 28 -4.295 1.083 -1.912 1.00 0.00 N ATOM 733 CA LYS B 28 -4.810 1.999 -2.968 1.00 0.00 C ATOM 734 C LYS B 28 -5.768 3.017 -2.339 1.00 0.00 C ATOM 735 O LYS B 28 -6.459 2.709 -1.389 1.00 0.00 O ATOM 736 CB LYS B 28 -5.553 1.187 -4.030 1.00 0.00 C ATOM 737 CG LYS B 28 -4.606 0.877 -5.191 1.00 0.00 C ATOM 738 CD LYS B 28 -5.078 -0.387 -5.911 1.00 0.00 C ATOM 739 CE LYS B 28 -5.458 -0.043 -7.352 1.00 0.00 C ATOM 740 NZ LYS B 28 -6.476 -1.013 -7.843 1.00 0.00 N ATOM 0 H LYS B 28 -4.986 0.778 -1.227 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.975 2.525 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.930 0.260 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.417 1.745 -4.391 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -4.579 1.716 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.591 0.739 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -4.289 -1.139 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.934 -0.816 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -5.853 0.972 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.574 -0.073 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.734 -0.779 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.083 -1.975 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.322 -0.963 -7.241 1.00 0.00 H new ATOM 754 N PRO B 29 -5.778 4.203 -2.893 1.00 0.00 N ATOM 755 CA PRO B 29 -6.640 5.297 -2.414 1.00 0.00 C ATOM 756 C PRO B 29 -8.076 5.102 -2.912 1.00 0.00 C ATOM 757 O PRO B 29 -8.308 4.819 -4.070 1.00 0.00 O ATOM 758 CB PRO B 29 -6.012 6.547 -3.034 1.00 0.00 C ATOM 759 CG PRO B 29 -5.201 6.065 -4.261 1.00 0.00 C ATOM 760 CD PRO B 29 -4.930 4.564 -4.048 1.00 0.00 C ATOM 0 HA PRO B 29 -6.700 5.352 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.780 7.261 -3.332 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.367 7.054 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.758 6.231 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.266 6.619 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -5.192 3.983 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.876 4.375 -3.843 1.00 0.00 H new ATOM 768 N THR B 30 -9.040 5.251 -2.044 1.00 0.00 N ATOM 769 CA THR B 30 -10.458 5.076 -2.469 1.00 0.00 C ATOM 770 C THR B 30 -11.281 6.279 -2.006 1.00 0.00 C ATOM 771 O THR B 30 -10.717 7.142 -1.353 1.00 0.00 O ATOM 772 CB THR B 30 -11.022 3.799 -1.842 1.00 0.00 C ATOM 773 OG1 THR B 30 -10.427 3.596 -0.568 1.00 0.00 O ATOM 774 CG2 THR B 30 -10.717 2.606 -2.748 1.00 0.00 C ATOM 775 OXT THR B 30 -12.461 6.317 -2.313 1.00 0.00 O ATOM 0 H THR B 30 -8.907 5.486 -1.060 1.00 0.00 H new ATOM 0 HA THR B 30 -10.507 5.000 -3.555 1.00 0.00 H new ATOM 0 HB THR B 30 -12.102 3.896 -1.726 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.789 2.779 -0.164 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.119 1.697 -2.300 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.176 2.764 -3.724 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.638 2.505 -2.866 1.00 0.00 H new TER 783 THR B 30