USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 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 8 ASN :FLIP amide:sc=-0.00332 F(o=-0.9,f=-0.36) USER MOD Set 1.2: A 19 GLN : amide:sc= -0.354 K(o=-0.36,f=-6.1!) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.453) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 55:sc= 0.888 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.163 (180deg=-1.03) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.89 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -43:sc=-0.00522 USER MOD Single : A 32 SER OG : rot -52:sc= 0.292 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.311 F(o=-2.6!,f=-0.31) USER MOD Single : A 40 TYR OH : rot 122:sc= 1.17 USER MOD Single : A 41 SER OG : rot -111:sc= 0.11 USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -6.62! (180deg=-11.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -140:sc= -0.322 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0014) USER MOD Single : A 68 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 13.033 -1.885 10.707 1.00 0.00 N ATOM 63 CA ARG A 6 12.534 -1.239 11.962 1.00 0.00 C ATOM 64 C ARG A 6 11.632 -0.055 11.603 1.00 0.00 C ATOM 65 O ARG A 6 11.463 0.278 10.446 1.00 0.00 O ATOM 66 CB ARG A 6 13.724 -0.728 12.776 1.00 0.00 C ATOM 67 CG ARG A 6 14.696 -1.898 13.088 1.00 0.00 C ATOM 68 CD ARG A 6 15.269 -1.771 14.514 1.00 0.00 C ATOM 69 NE ARG A 6 16.685 -2.261 14.537 1.00 0.00 N ATOM 70 CZ ARG A 6 17.020 -3.401 13.991 1.00 0.00 C ATOM 71 NH1 ARG A 6 16.107 -4.235 13.580 1.00 0.00 N ATOM 72 NH2 ARG A 6 18.281 -3.731 13.907 1.00 0.00 N ATOM 0 HA ARG A 6 11.971 -1.968 12.545 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.246 0.052 12.222 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.373 -0.278 13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.172 -2.848 12.985 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.510 -1.903 12.363 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.229 -0.732 14.841 1.00 0.00 H new ATOM 0 HD3 ARG A 6 14.663 -2.349 15.212 1.00 0.00 H new ATOM 0 HE ARG A 6 17.403 -1.693 14.988 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.119 -4.001 13.683 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.380 -5.121 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.998 -3.101 14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.549 -4.619 13.482 1.00 0.00 H new ATOM 86 N ASP A 7 11.063 0.594 12.584 1.00 0.00 N ATOM 87 CA ASP A 7 10.185 1.767 12.298 1.00 0.00 C ATOM 88 C ASP A 7 11.053 3.014 12.124 1.00 0.00 C ATOM 89 O ASP A 7 12.266 2.947 12.169 1.00 0.00 O ATOM 90 CB ASP A 7 9.216 1.982 13.464 1.00 0.00 C ATOM 91 CG ASP A 7 10.001 2.043 14.776 1.00 0.00 C ATOM 92 OD1 ASP A 7 11.162 1.671 14.766 1.00 0.00 O ATOM 93 OD2 ASP A 7 9.425 2.459 15.768 1.00 0.00 O ATOM 0 H ASP A 7 11.168 0.363 13.572 1.00 0.00 H new ATOM 0 HA ASP A 7 9.617 1.582 11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.656 2.906 13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.489 1.171 13.500 1.00 0.00 H new ATOM 98 N ASN A 8 10.445 4.152 11.931 1.00 0.00 N ATOM 99 CA ASN A 8 11.244 5.398 11.759 1.00 0.00 C ATOM 100 C ASN A 8 11.987 5.702 13.062 1.00 0.00 C ATOM 101 O ASN A 8 12.799 6.605 13.127 1.00 0.00 O ATOM 102 CB ASN A 8 10.311 6.562 11.420 1.00 0.00 C ATOM 103 CG ASN A 8 9.798 6.406 9.988 1.00 0.00 C ATOM 104 OD1 ASN A 8 8.728 5.695 9.769 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 10.375 6.939 9.062 1.00 0.00 N flip ATOM 0 H ASN A 8 9.433 4.273 11.885 1.00 0.00 H new ATOM 0 HA ASN A 8 11.962 5.264 10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.473 6.585 12.117 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.840 7.509 11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.212 7.495 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.022 6.831 8.111 1.00 0.00 H new ATOM 112 N ARG A 9 11.711 4.954 14.101 1.00 0.00 N ATOM 113 CA ARG A 9 12.392 5.187 15.413 1.00 0.00 C ATOM 114 C ARG A 9 13.474 4.121 15.623 1.00 0.00 C ATOM 115 O ARG A 9 14.579 4.248 15.135 1.00 0.00 O ATOM 116 CB ARG A 9 11.355 5.106 16.539 1.00 0.00 C ATOM 117 CG ARG A 9 10.244 6.136 16.294 1.00 0.00 C ATOM 118 CD ARG A 9 10.797 7.562 16.427 1.00 0.00 C ATOM 119 NE ARG A 9 9.679 8.502 16.725 1.00 0.00 N ATOM 120 CZ ARG A 9 9.939 9.695 17.185 1.00 0.00 C ATOM 121 NH1 ARG A 9 11.175 10.061 17.386 1.00 0.00 N ATOM 122 NH2 ARG A 9 8.963 10.523 17.443 1.00 0.00 N ATOM 0 H ARG A 9 11.039 4.187 14.097 1.00 0.00 H new ATOM 0 HA ARG A 9 12.857 6.173 15.419 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.931 4.103 16.584 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.833 5.294 17.501 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.821 5.994 15.299 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.435 5.985 17.009 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.542 7.602 17.222 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.298 7.857 15.505 1.00 0.00 H new ATOM 0 HE ARG A 9 8.713 8.213 16.570 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.938 9.415 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.379 10.994 17.746 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.997 10.237 17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.167 11.455 17.803 1.00 0.00 H new ATOM 136 N GLY A 10 13.175 3.071 16.342 1.00 0.00 N ATOM 137 CA GLY A 10 14.205 2.015 16.567 1.00 0.00 C ATOM 138 C GLY A 10 13.538 0.738 17.083 1.00 0.00 C ATOM 139 O GLY A 10 14.187 -0.141 17.613 1.00 0.00 O ATOM 0 H GLY A 10 12.270 2.900 16.780 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.736 1.808 15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.946 2.365 17.286 1.00 0.00 H new ATOM 143 N ARG A 11 12.247 0.626 16.929 1.00 0.00 N ATOM 144 CA ARG A 11 11.538 -0.595 17.406 1.00 0.00 C ATOM 145 C ARG A 11 11.635 -1.685 16.337 1.00 0.00 C ATOM 146 O ARG A 11 12.427 -1.594 15.421 1.00 0.00 O ATOM 147 CB ARG A 11 10.069 -0.252 17.663 1.00 0.00 C ATOM 148 CG ARG A 11 9.943 0.494 18.997 1.00 0.00 C ATOM 149 CD ARG A 11 8.568 1.161 19.097 1.00 0.00 C ATOM 150 NE ARG A 11 8.347 2.018 17.899 1.00 0.00 N ATOM 151 CZ ARG A 11 7.161 2.499 17.644 1.00 0.00 C ATOM 152 NH1 ARG A 11 6.167 2.246 18.451 1.00 0.00 N ATOM 153 NH2 ARG A 11 6.970 3.234 16.584 1.00 0.00 N ATOM 0 H ARG A 11 11.651 1.329 16.492 1.00 0.00 H new ATOM 0 HA ARG A 11 11.994 -0.954 18.329 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.681 0.364 16.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.471 -1.163 17.686 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.080 -0.201 19.826 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.728 1.246 19.078 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.788 0.403 19.165 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.508 1.762 20.004 1.00 0.00 H new ATOM 0 HE ARG A 11 9.126 2.230 17.275 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.317 1.672 19.281 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.240 2.622 18.252 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.747 3.433 15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.043 3.610 16.384 1.00 0.00 H new ATOM 167 N ILE A 12 10.832 -2.712 16.445 1.00 0.00 N ATOM 168 CA ILE A 12 10.864 -3.821 15.435 1.00 0.00 C ATOM 169 C ILE A 12 9.432 -4.154 15.008 1.00 0.00 C ATOM 170 O ILE A 12 8.599 -4.495 15.826 1.00 0.00 O ATOM 171 CB ILE A 12 11.477 -5.084 16.054 1.00 0.00 C ATOM 172 CG1 ILE A 12 12.933 -4.821 16.512 1.00 0.00 C ATOM 173 CG2 ILE A 12 11.434 -6.215 15.016 1.00 0.00 C ATOM 174 CD1 ILE A 12 13.926 -5.051 15.361 1.00 0.00 C ATOM 0 H ILE A 12 10.150 -2.834 17.193 1.00 0.00 H new ATOM 0 HA ILE A 12 11.460 -3.498 14.581 1.00 0.00 H new ATOM 0 HB ILE A 12 10.902 -5.372 16.934 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.024 -3.797 16.875 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.179 -5.478 17.346 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.867 -7.119 15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.400 -6.408 14.731 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.004 -5.922 14.135 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.940 -4.859 15.712 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.850 -6.082 15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.692 -4.375 14.538 1.00 0.00 H new ATOM 186 N LEU A 13 9.136 -4.081 13.738 1.00 0.00 N ATOM 187 CA LEU A 13 7.756 -4.420 13.275 1.00 0.00 C ATOM 188 C LEU A 13 7.695 -5.915 12.965 1.00 0.00 C ATOM 189 O LEU A 13 8.692 -6.530 12.645 1.00 0.00 O ATOM 190 CB LEU A 13 7.415 -3.639 11.999 1.00 0.00 C ATOM 191 CG LEU A 13 7.527 -2.116 12.244 1.00 0.00 C ATOM 192 CD1 LEU A 13 8.936 -1.626 11.893 1.00 0.00 C ATOM 193 CD2 LEU A 13 6.514 -1.373 11.363 1.00 0.00 C ATOM 0 H LEU A 13 9.786 -3.803 13.003 1.00 0.00 H new ATOM 0 HA LEU A 13 7.043 -4.158 14.057 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.090 -3.934 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.404 -3.887 11.674 1.00 0.00 H new ATOM 0 HG LEU A 13 7.323 -1.918 13.296 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.002 -0.552 12.070 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.666 -2.142 12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.143 -1.834 10.843 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.597 -0.300 11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.719 -1.585 10.314 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.505 -1.705 11.609 1.00 0.00 H new ATOM 205 N LYS A 14 6.534 -6.507 13.044 1.00 0.00 N ATOM 206 CA LYS A 14 6.422 -7.965 12.737 1.00 0.00 C ATOM 207 C LYS A 14 6.169 -8.133 11.236 1.00 0.00 C ATOM 208 O LYS A 14 5.775 -7.202 10.563 1.00 0.00 O ATOM 209 CB LYS A 14 5.252 -8.565 13.526 1.00 0.00 C ATOM 210 CG LYS A 14 5.636 -8.715 15.011 1.00 0.00 C ATOM 211 CD LYS A 14 6.363 -10.055 15.242 1.00 0.00 C ATOM 212 CE LYS A 14 7.263 -9.952 16.479 1.00 0.00 C ATOM 213 NZ LYS A 14 6.493 -9.356 17.606 1.00 0.00 N ATOM 0 H LYS A 14 5.661 -6.048 13.306 1.00 0.00 H new ATOM 0 HA LYS A 14 7.342 -8.477 13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.374 -7.926 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.984 -9.537 13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.278 -7.888 15.313 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.741 -8.667 15.632 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.635 -10.855 15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.960 -10.311 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.630 -10.940 16.758 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.136 -9.338 16.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.950 -9.603 18.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.469 -8.322 17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.522 -9.727 17.597 1.00 0.00 H new ATOM 227 N THR A 15 6.396 -9.305 10.700 1.00 0.00 N ATOM 228 CA THR A 15 6.167 -9.510 9.237 1.00 0.00 C ATOM 229 C THR A 15 4.811 -8.920 8.845 1.00 0.00 C ATOM 230 O THR A 15 3.966 -8.672 9.683 1.00 0.00 O ATOM 231 CB THR A 15 6.186 -11.009 8.913 1.00 0.00 C ATOM 232 OG1 THR A 15 7.499 -11.516 9.101 1.00 0.00 O ATOM 233 CG2 THR A 15 5.755 -11.229 7.458 1.00 0.00 C ATOM 0 H THR A 15 6.728 -10.125 11.208 1.00 0.00 H new ATOM 0 HA THR A 15 6.958 -9.011 8.676 1.00 0.00 H new ATOM 0 HB THR A 15 5.495 -11.531 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.512 -12.474 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.770 -12.295 7.231 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.746 -10.841 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.442 -10.707 6.792 1.00 0.00 H new ATOM 241 N GLY A 16 4.598 -8.687 7.578 1.00 0.00 N ATOM 242 CA GLY A 16 3.298 -8.108 7.140 1.00 0.00 C ATOM 243 C GLY A 16 3.315 -6.596 7.375 1.00 0.00 C ATOM 244 O GLY A 16 2.804 -5.827 6.586 1.00 0.00 O ATOM 0 H GLY A 16 5.266 -8.872 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.128 -8.322 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.478 -8.565 7.694 1.00 0.00 H new ATOM 248 N GLU A 17 3.893 -6.165 8.467 1.00 0.00 N ATOM 249 CA GLU A 17 3.940 -4.703 8.777 1.00 0.00 C ATOM 250 C GLU A 17 5.253 -4.095 8.272 1.00 0.00 C ATOM 251 O GLU A 17 6.289 -4.728 8.291 1.00 0.00 O ATOM 252 CB GLU A 17 3.849 -4.514 10.293 1.00 0.00 C ATOM 253 CG GLU A 17 2.490 -5.010 10.795 1.00 0.00 C ATOM 254 CD GLU A 17 2.486 -6.540 10.842 1.00 0.00 C ATOM 255 OE1 GLU A 17 3.426 -7.098 11.384 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.544 -7.126 10.337 1.00 0.00 O ATOM 0 H GLU A 17 4.337 -6.766 9.161 1.00 0.00 H new ATOM 0 HA GLU A 17 3.106 -4.205 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.652 -5.062 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.979 -3.462 10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.288 -4.605 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.697 -4.654 10.138 1.00 0.00 H new ATOM 263 N SER A 18 5.210 -2.865 7.831 1.00 0.00 N ATOM 264 CA SER A 18 6.444 -2.192 7.329 1.00 0.00 C ATOM 265 C SER A 18 6.087 -0.767 6.889 1.00 0.00 C ATOM 266 O SER A 18 5.069 -0.542 6.268 1.00 0.00 O ATOM 267 CB SER A 18 7.010 -2.975 6.138 1.00 0.00 C ATOM 268 OG SER A 18 7.792 -4.062 6.617 1.00 0.00 O ATOM 0 H SER A 18 4.366 -2.294 7.797 1.00 0.00 H new ATOM 0 HA SER A 18 7.194 -2.157 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.198 -3.345 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.620 -2.321 5.515 1.00 0.00 H new ATOM 0 HG SER A 18 7.256 -4.604 7.232 1.00 0.00 H new ATOM 274 N GLN A 19 6.911 0.197 7.206 1.00 0.00 N ATOM 275 CA GLN A 19 6.598 1.597 6.799 1.00 0.00 C ATOM 276 C GLN A 19 6.807 1.751 5.292 1.00 0.00 C ATOM 277 O GLN A 19 7.698 1.161 4.714 1.00 0.00 O ATOM 278 CB GLN A 19 7.505 2.574 7.550 1.00 0.00 C ATOM 279 CG GLN A 19 8.971 2.226 7.290 1.00 0.00 C ATOM 280 CD GLN A 19 9.857 2.974 8.289 1.00 0.00 C ATOM 281 OE1 GLN A 19 9.544 3.047 9.460 1.00 0.00 O ATOM 282 NE2 GLN A 19 10.958 3.537 7.872 1.00 0.00 N ATOM 0 H GLN A 19 7.781 0.076 7.725 1.00 0.00 H new ATOM 0 HA GLN A 19 5.559 1.818 7.044 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.301 3.595 7.227 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.296 2.530 8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.123 1.151 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.245 2.497 6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.221 3.476 6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.555 4.038 8.530 1.00 0.00 H new ATOM 291 N ARG A 20 5.978 2.535 4.647 1.00 0.00 N ATOM 292 CA ARG A 20 6.109 2.729 3.170 1.00 0.00 C ATOM 293 C ARG A 20 6.875 4.027 2.875 1.00 0.00 C ATOM 294 O ARG A 20 7.721 4.445 3.639 1.00 0.00 O ATOM 295 CB ARG A 20 4.708 2.776 2.544 1.00 0.00 C ATOM 296 CG ARG A 20 3.861 3.849 3.233 1.00 0.00 C ATOM 297 CD ARG A 20 2.445 3.818 2.664 1.00 0.00 C ATOM 298 NE ARG A 20 2.502 3.766 1.168 1.00 0.00 N ATOM 299 CZ ARG A 20 3.109 4.690 0.472 1.00 0.00 C ATOM 300 NH1 ARG A 20 3.532 5.782 1.049 1.00 0.00 N ATOM 301 NH2 ARG A 20 3.251 4.542 -0.817 1.00 0.00 N ATOM 0 H ARG A 20 5.213 3.051 5.082 1.00 0.00 H new ATOM 0 HA ARG A 20 6.667 1.898 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.784 2.991 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.225 1.803 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.837 3.674 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.305 4.833 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.908 2.950 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.894 4.702 2.986 1.00 0.00 H new ATOM 0 HE ARG A 20 2.055 2.989 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.389 5.918 2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.005 6.499 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.889 3.707 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.724 5.261 -1.364 1.00 0.00 H new ATOM 315 N LYS A 21 6.608 4.648 1.756 1.00 0.00 N ATOM 316 CA LYS A 21 7.342 5.895 1.388 1.00 0.00 C ATOM 317 C LYS A 21 6.795 7.106 2.154 1.00 0.00 C ATOM 318 O LYS A 21 7.494 8.077 2.365 1.00 0.00 O ATOM 319 CB LYS A 21 7.187 6.141 -0.119 1.00 0.00 C ATOM 320 CG LYS A 21 7.713 4.930 -0.905 1.00 0.00 C ATOM 321 CD LYS A 21 7.104 4.910 -2.311 1.00 0.00 C ATOM 322 CE LYS A 21 7.583 6.126 -3.102 1.00 0.00 C ATOM 323 NZ LYS A 21 9.071 6.192 -3.059 1.00 0.00 N ATOM 0 H LYS A 21 5.910 4.343 1.078 1.00 0.00 H new ATOM 0 HA LYS A 21 8.393 5.768 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.139 6.315 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.734 7.038 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.800 4.974 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.463 4.009 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.390 3.994 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.016 4.913 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.241 6.059 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.156 7.037 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.418 6.741 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.373 6.651 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.463 5.229 -3.100 1.00 0.00 H new ATOM 337 N ASP A 22 5.556 7.074 2.559 1.00 0.00 N ATOM 338 CA ASP A 22 4.986 8.246 3.291 1.00 0.00 C ATOM 339 C ASP A 22 5.400 8.204 4.765 1.00 0.00 C ATOM 340 O ASP A 22 5.014 9.050 5.547 1.00 0.00 O ATOM 341 CB ASP A 22 3.460 8.219 3.192 1.00 0.00 C ATOM 342 CG ASP A 22 3.029 8.599 1.774 1.00 0.00 C ATOM 343 OD1 ASP A 22 3.845 9.151 1.054 1.00 0.00 O ATOM 344 OD2 ASP A 22 1.889 8.333 1.433 1.00 0.00 O ATOM 0 H ASP A 22 4.915 6.294 2.417 1.00 0.00 H new ATOM 0 HA ASP A 22 5.368 9.162 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.087 7.226 3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.027 8.913 3.912 1.00 0.00 H new ATOM 349 N GLY A 23 6.188 7.242 5.153 1.00 0.00 N ATOM 350 CA GLY A 23 6.629 7.166 6.575 1.00 0.00 C ATOM 351 C GLY A 23 5.533 6.536 7.438 1.00 0.00 C ATOM 352 O GLY A 23 5.804 5.978 8.484 1.00 0.00 O ATOM 0 H GLY A 23 6.547 6.504 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.543 6.577 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.863 8.165 6.944 1.00 0.00 H new ATOM 356 N ARG A 24 4.298 6.615 7.020 1.00 0.00 N ATOM 357 CA ARG A 24 3.205 6.012 7.836 1.00 0.00 C ATOM 358 C ARG A 24 3.359 4.494 7.837 1.00 0.00 C ATOM 359 O ARG A 24 3.988 3.924 6.969 1.00 0.00 O ATOM 360 CB ARG A 24 1.841 6.388 7.250 1.00 0.00 C ATOM 361 CG ARG A 24 1.700 5.814 5.835 1.00 0.00 C ATOM 362 CD ARG A 24 0.598 6.570 5.083 1.00 0.00 C ATOM 363 NE ARG A 24 1.045 7.966 4.819 1.00 0.00 N ATOM 364 CZ ARG A 24 0.414 8.699 3.944 1.00 0.00 C ATOM 365 NH1 ARG A 24 -0.619 8.215 3.310 1.00 0.00 N ATOM 366 NH2 ARG A 24 0.815 9.917 3.704 1.00 0.00 N ATOM 0 H ARG A 24 4.000 7.067 6.156 1.00 0.00 H new ATOM 0 HA ARG A 24 3.267 6.391 8.856 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.044 6.005 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.734 7.472 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.646 5.901 5.300 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.459 4.752 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.372 6.065 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.320 6.576 5.671 1.00 0.00 H new ATOM 0 HE ARG A 24 1.845 8.349 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.933 7.263 3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.112 8.789 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.622 10.296 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.322 10.491 3.020 1.00 0.00 H new ATOM 380 N TYR A 25 2.792 3.833 8.807 1.00 0.00 N ATOM 381 CA TYR A 25 2.912 2.353 8.856 1.00 0.00 C ATOM 382 C TYR A 25 2.002 1.736 7.794 1.00 0.00 C ATOM 383 O TYR A 25 0.984 2.298 7.430 1.00 0.00 O ATOM 384 CB TYR A 25 2.510 1.851 10.243 1.00 0.00 C ATOM 385 CG TYR A 25 3.500 2.360 11.267 1.00 0.00 C ATOM 386 CD1 TYR A 25 4.832 1.929 11.223 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.090 3.264 12.256 1.00 0.00 C ATOM 388 CE1 TYR A 25 5.752 2.400 12.165 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.012 3.736 13.199 1.00 0.00 C ATOM 390 CZ TYR A 25 5.344 3.304 13.153 1.00 0.00 C ATOM 391 OH TYR A 25 6.252 3.769 14.083 1.00 0.00 O ATOM 0 H TYR A 25 2.253 4.253 9.564 1.00 0.00 H new ATOM 0 HA TYR A 25 3.944 2.063 8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.506 2.195 10.490 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.486 0.761 10.255 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.149 1.232 10.461 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.063 3.597 12.291 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.778 2.066 12.130 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.696 4.433 13.961 1.00 0.00 H new ATOM 0 HH TYR A 25 5.881 4.553 14.539 1.00 0.00 H new ATOM 401 N LEU A 26 2.364 0.584 7.294 1.00 0.00 N ATOM 402 CA LEU A 26 1.536 -0.088 6.246 1.00 0.00 C ATOM 403 C LEU A 26 1.506 -1.590 6.529 1.00 0.00 C ATOM 404 O LEU A 26 2.528 -2.227 6.681 1.00 0.00 O ATOM 405 CB LEU A 26 2.160 0.172 4.862 1.00 0.00 C ATOM 406 CG LEU A 26 1.530 -0.736 3.792 1.00 0.00 C ATOM 407 CD1 LEU A 26 0.010 -0.558 3.778 1.00 0.00 C ATOM 408 CD2 LEU A 26 2.089 -0.359 2.417 1.00 0.00 C ATOM 0 H LEU A 26 3.204 0.075 7.568 1.00 0.00 H new ATOM 0 HA LEU A 26 0.520 0.306 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.018 1.217 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.235 -0.003 4.905 1.00 0.00 H new ATOM 0 HG LEU A 26 1.768 -1.774 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.425 -1.206 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.396 -0.822 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.233 0.481 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.645 -1.000 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.849 0.682 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.171 -0.490 2.416 1.00 0.00 H new ATOM 420 N TYR A 27 0.328 -2.153 6.592 1.00 0.00 N ATOM 421 CA TYR A 27 0.182 -3.616 6.855 1.00 0.00 C ATOM 422 C TYR A 27 -0.580 -4.247 5.692 1.00 0.00 C ATOM 423 O TYR A 27 -1.780 -4.091 5.560 1.00 0.00 O ATOM 424 CB TYR A 27 -0.602 -3.803 8.155 1.00 0.00 C ATOM 425 CG TYR A 27 -1.028 -5.249 8.315 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.062 -6.257 8.383 1.00 0.00 C ATOM 427 CD2 TYR A 27 -2.388 -5.578 8.401 1.00 0.00 C ATOM 428 CE1 TYR A 27 -0.450 -7.594 8.535 1.00 0.00 C ATOM 429 CE2 TYR A 27 -2.776 -6.914 8.552 1.00 0.00 C ATOM 430 CZ TYR A 27 -1.808 -7.921 8.619 1.00 0.00 C ATOM 431 OH TYR A 27 -2.193 -9.239 8.769 1.00 0.00 O ATOM 0 H TYR A 27 -0.553 -1.653 6.470 1.00 0.00 H new ATOM 0 HA TYR A 27 1.159 -4.091 6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.013 -3.503 9.004 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.480 -3.157 8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.986 -6.004 8.318 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.136 -4.801 8.351 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.298 -8.372 8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.824 -7.168 8.617 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.171 -9.291 8.812 1.00 0.00 H new ATOM 441 N LYS A 28 0.113 -4.957 4.845 1.00 0.00 N ATOM 442 CA LYS A 28 -0.555 -5.610 3.686 1.00 0.00 C ATOM 443 C LYS A 28 -1.043 -6.996 4.127 1.00 0.00 C ATOM 444 O LYS A 28 -0.356 -7.699 4.841 1.00 0.00 O ATOM 445 CB LYS A 28 0.464 -5.740 2.533 1.00 0.00 C ATOM 446 CG LYS A 28 -0.235 -5.575 1.175 1.00 0.00 C ATOM 447 CD LYS A 28 0.707 -6.038 0.050 1.00 0.00 C ATOM 448 CE LYS A 28 0.304 -5.389 -1.279 1.00 0.00 C ATOM 449 NZ LYS A 28 0.862 -6.186 -2.407 1.00 0.00 N ATOM 0 H LYS A 28 1.119 -5.113 4.907 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.405 -5.020 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.243 -4.985 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.954 -6.713 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.156 -6.158 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.515 -4.533 1.023 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.736 -5.773 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.670 -7.124 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.782 -5.338 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.675 -4.365 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.590 -5.748 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.899 -6.213 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.487 -7.155 -2.366 1.00 0.00 H new ATOM 463 N TYR A 29 -2.210 -7.403 3.707 1.00 0.00 N ATOM 464 CA TYR A 29 -2.711 -8.752 4.112 1.00 0.00 C ATOM 465 C TYR A 29 -3.638 -9.302 3.026 1.00 0.00 C ATOM 466 O TYR A 29 -4.465 -8.602 2.478 1.00 0.00 O ATOM 467 CB TYR A 29 -3.437 -8.664 5.469 1.00 0.00 C ATOM 468 CG TYR A 29 -4.857 -8.160 5.308 1.00 0.00 C ATOM 469 CD1 TYR A 29 -5.854 -9.023 4.836 1.00 0.00 C ATOM 470 CD2 TYR A 29 -5.179 -6.841 5.651 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.171 -8.567 4.706 1.00 0.00 C ATOM 472 CE2 TYR A 29 -6.497 -6.384 5.519 1.00 0.00 C ATOM 473 CZ TYR A 29 -7.493 -7.248 5.046 1.00 0.00 C ATOM 474 OH TYR A 29 -8.793 -6.803 4.920 1.00 0.00 O ATOM 0 H TYR A 29 -2.835 -6.866 3.106 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.868 -9.434 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.450 -9.647 5.940 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.887 -7.999 6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.607 -10.041 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.411 -6.176 6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.939 -9.234 4.343 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.745 -5.366 5.782 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.170 -7.128 4.076 1.00 0.00 H new ATOM 484 N ILE A 30 -3.481 -10.555 2.706 1.00 0.00 N ATOM 485 CA ILE A 30 -4.319 -11.184 1.647 1.00 0.00 C ATOM 486 C ILE A 30 -5.683 -11.563 2.232 1.00 0.00 C ATOM 487 O ILE A 30 -5.773 -12.265 3.220 1.00 0.00 O ATOM 488 CB ILE A 30 -3.590 -12.438 1.136 1.00 0.00 C ATOM 489 CG1 ILE A 30 -2.080 -12.167 1.100 1.00 0.00 C ATOM 490 CG2 ILE A 30 -4.066 -12.809 -0.272 1.00 0.00 C ATOM 491 CD1 ILE A 30 -1.780 -10.889 0.310 1.00 0.00 C ATOM 0 H ILE A 30 -2.799 -11.178 3.138 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.477 -10.489 0.822 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.810 -13.266 1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.698 -12.071 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.564 -13.012 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.536 -13.699 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.137 -13.009 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.863 -11.983 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.704 -10.714 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.143 -10.999 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.279 -10.043 0.783 1.00 0.00 H new ATOM 503 N ASP A 31 -6.748 -11.099 1.634 1.00 0.00 N ATOM 504 CA ASP A 31 -8.103 -11.431 2.162 1.00 0.00 C ATOM 505 C ASP A 31 -8.504 -12.837 1.702 1.00 0.00 C ATOM 506 O ASP A 31 -7.752 -13.522 1.038 1.00 0.00 O ATOM 507 CB ASP A 31 -9.118 -10.405 1.639 1.00 0.00 C ATOM 508 CG ASP A 31 -8.455 -9.030 1.566 1.00 0.00 C ATOM 509 OD1 ASP A 31 -7.596 -8.855 0.717 1.00 0.00 O ATOM 510 OD2 ASP A 31 -8.819 -8.176 2.357 1.00 0.00 O ATOM 0 H ASP A 31 -6.738 -10.506 0.804 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.087 -11.402 3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.477 -10.701 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.987 -10.368 2.296 1.00 0.00 H new ATOM 515 N SER A 32 -9.680 -13.272 2.060 1.00 0.00 N ATOM 516 CA SER A 32 -10.130 -14.634 1.654 1.00 0.00 C ATOM 517 C SER A 32 -10.595 -14.615 0.196 1.00 0.00 C ATOM 518 O SER A 32 -11.185 -15.561 -0.286 1.00 0.00 O ATOM 519 CB SER A 32 -11.290 -15.071 2.549 1.00 0.00 C ATOM 520 OG SER A 32 -11.500 -16.468 2.398 1.00 0.00 O ATOM 0 H SER A 32 -10.350 -12.743 2.617 1.00 0.00 H new ATOM 0 HA SER A 32 -9.300 -15.333 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.070 -14.835 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.195 -14.525 2.283 1.00 0.00 H new ATOM 0 HG SER A 32 -11.589 -16.684 1.446 1.00 0.00 H new ATOM 526 N PHE A 33 -10.330 -13.547 -0.511 1.00 0.00 N ATOM 527 CA PHE A 33 -10.751 -13.460 -1.942 1.00 0.00 C ATOM 528 C PHE A 33 -9.538 -13.756 -2.829 1.00 0.00 C ATOM 529 O PHE A 33 -9.667 -14.256 -3.929 1.00 0.00 O ATOM 530 CB PHE A 33 -11.269 -12.038 -2.224 1.00 0.00 C ATOM 531 CG PHE A 33 -12.744 -11.949 -1.893 1.00 0.00 C ATOM 532 CD1 PHE A 33 -13.157 -11.780 -0.566 1.00 0.00 C ATOM 533 CD2 PHE A 33 -13.696 -12.038 -2.916 1.00 0.00 C ATOM 534 CE1 PHE A 33 -14.522 -11.700 -0.263 1.00 0.00 C ATOM 535 CE2 PHE A 33 -15.060 -11.957 -2.613 1.00 0.00 C ATOM 536 CZ PHE A 33 -15.473 -11.788 -1.286 1.00 0.00 C ATOM 0 H PHE A 33 -9.837 -12.727 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.541 -14.181 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.710 -11.314 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.107 -11.784 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.423 -11.711 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -13.377 -12.169 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.841 -11.570 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -15.794 -12.025 -3.403 1.00 0.00 H new ATOM 0 HZ PHE A 33 -16.525 -11.726 -1.052 1.00 0.00 H new ATOM 546 N GLY A 34 -8.362 -13.444 -2.353 1.00 0.00 N ATOM 547 CA GLY A 34 -7.122 -13.696 -3.150 1.00 0.00 C ATOM 548 C GLY A 34 -6.614 -12.372 -3.720 1.00 0.00 C ATOM 549 O GLY A 34 -6.062 -12.323 -4.802 1.00 0.00 O ATOM 0 H GLY A 34 -8.204 -13.021 -1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.357 -14.152 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.331 -14.397 -3.958 1.00 0.00 H new ATOM 553 N GLU A 35 -6.798 -11.295 -2.997 1.00 0.00 N ATOM 554 CA GLU A 35 -6.329 -9.959 -3.487 1.00 0.00 C ATOM 555 C GLU A 35 -5.752 -9.162 -2.297 1.00 0.00 C ATOM 556 O GLU A 35 -6.470 -8.855 -1.367 1.00 0.00 O ATOM 557 CB GLU A 35 -7.516 -9.190 -4.099 1.00 0.00 C ATOM 558 CG GLU A 35 -8.803 -9.582 -3.379 1.00 0.00 C ATOM 559 CD GLU A 35 -9.965 -8.740 -3.911 1.00 0.00 C ATOM 560 OE1 GLU A 35 -9.740 -7.969 -4.829 1.00 0.00 O ATOM 561 OE2 GLU A 35 -11.060 -8.881 -3.392 1.00 0.00 O ATOM 0 H GLU A 35 -7.254 -11.282 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.559 -10.093 -4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.351 -8.116 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.599 -9.415 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.009 -10.642 -3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.692 -9.430 -2.305 1.00 0.00 H new ATOM 568 N PRO A 36 -4.477 -8.821 -2.308 1.00 0.00 N ATOM 569 CA PRO A 36 -3.858 -8.052 -1.189 1.00 0.00 C ATOM 570 C PRO A 36 -4.761 -6.918 -0.684 1.00 0.00 C ATOM 571 O PRO A 36 -5.637 -6.450 -1.385 1.00 0.00 O ATOM 572 CB PRO A 36 -2.570 -7.500 -1.804 1.00 0.00 C ATOM 573 CG PRO A 36 -2.176 -8.514 -2.831 1.00 0.00 C ATOM 574 CD PRO A 36 -3.483 -9.120 -3.362 1.00 0.00 C ATOM 0 HA PRO A 36 -3.686 -8.675 -0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.734 -6.522 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.792 -7.377 -1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.607 -8.050 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.540 -9.284 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.769 -8.677 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.387 -10.193 -3.525 1.00 0.00 H new ATOM 582 N GLN A 37 -4.553 -6.481 0.534 1.00 0.00 N ATOM 583 CA GLN A 37 -5.391 -5.382 1.111 1.00 0.00 C ATOM 584 C GLN A 37 -4.482 -4.371 1.822 1.00 0.00 C ATOM 585 O GLN A 37 -3.558 -4.741 2.516 1.00 0.00 O ATOM 586 CB GLN A 37 -6.373 -5.984 2.118 1.00 0.00 C ATOM 587 CG GLN A 37 -7.455 -4.956 2.459 1.00 0.00 C ATOM 588 CD GLN A 37 -8.463 -4.868 1.311 1.00 0.00 C ATOM 589 OE1 GLN A 37 -8.259 -5.565 0.227 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 -9.444 -4.158 1.402 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.832 -6.842 1.159 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.941 -4.877 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.829 -6.883 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.844 -6.283 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.963 -5.240 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.001 -3.980 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.603 -3.614 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.109 -4.106 0.631 1.00 0.00 H new ATOM 599 N PHE A 38 -4.726 -3.097 1.637 1.00 0.00 N ATOM 600 CA PHE A 38 -3.863 -2.051 2.282 1.00 0.00 C ATOM 601 C PHE A 38 -4.531 -1.476 3.542 1.00 0.00 C ATOM 602 O PHE A 38 -5.634 -0.968 3.497 1.00 0.00 O ATOM 603 CB PHE A 38 -3.645 -0.900 1.275 1.00 0.00 C ATOM 604 CG PHE A 38 -2.406 -1.142 0.439 1.00 0.00 C ATOM 605 CD1 PHE A 38 -2.379 -2.190 -0.484 1.00 0.00 C ATOM 606 CD2 PHE A 38 -1.292 -0.301 0.572 1.00 0.00 C ATOM 607 CE1 PHE A 38 -1.244 -2.397 -1.267 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.155 -0.514 -0.212 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.131 -1.563 -1.132 1.00 0.00 C ATOM 0 H PHE A 38 -5.488 -2.732 1.065 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.917 -2.511 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.515 -0.810 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.548 0.044 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.236 -2.839 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.313 0.513 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.225 -3.206 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.704 0.132 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.747 -1.730 -1.739 1.00 0.00 H new ATOM 619 N VAL A 39 -3.826 -1.495 4.650 1.00 0.00 N ATOM 620 CA VAL A 39 -4.352 -0.890 5.916 1.00 0.00 C ATOM 621 C VAL A 39 -3.366 0.215 6.304 1.00 0.00 C ATOM 622 O VAL A 39 -2.192 -0.036 6.490 1.00 0.00 O ATOM 623 CB VAL A 39 -4.425 -1.949 7.022 1.00 0.00 C ATOM 624 CG1 VAL A 39 -5.143 -1.370 8.247 1.00 0.00 C ATOM 625 CG2 VAL A 39 -5.199 -3.165 6.512 1.00 0.00 C ATOM 0 H VAL A 39 -2.897 -1.909 4.731 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.358 -0.494 5.778 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.414 -2.247 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.193 -2.126 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.594 -0.502 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.153 -1.069 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.251 -3.919 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.208 -2.863 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.690 -3.582 5.643 1.00 0.00 H new ATOM 635 N TYR A 40 -3.815 1.444 6.376 1.00 0.00 N ATOM 636 CA TYR A 40 -2.879 2.575 6.690 1.00 0.00 C ATOM 637 C TYR A 40 -3.002 3.014 8.150 1.00 0.00 C ATOM 638 O TYR A 40 -4.036 2.878 8.775 1.00 0.00 O ATOM 639 CB TYR A 40 -3.229 3.767 5.795 1.00 0.00 C ATOM 640 CG TYR A 40 -2.831 3.475 4.369 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.524 3.733 3.941 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.771 2.956 3.471 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.157 3.472 2.616 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.404 2.696 2.145 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.096 2.954 1.718 1.00 0.00 C ATOM 646 OH TYR A 40 -1.733 2.698 0.409 1.00 0.00 O ATOM 0 H TYR A 40 -4.788 1.716 6.232 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.859 2.234 6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.298 3.971 5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.716 4.661 6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.798 4.134 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.780 2.756 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.148 3.671 2.287 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.130 2.297 1.452 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.891 1.753 0.205 1.00 0.00 H new ATOM 656 N SER A 41 -1.940 3.561 8.685 1.00 0.00 N ATOM 657 CA SER A 41 -1.956 4.042 10.096 1.00 0.00 C ATOM 658 C SER A 41 -0.643 4.777 10.382 1.00 0.00 C ATOM 659 O SER A 41 0.408 4.387 9.912 1.00 0.00 O ATOM 660 CB SER A 41 -2.091 2.854 11.047 1.00 0.00 C ATOM 661 OG SER A 41 -2.258 3.333 12.376 1.00 0.00 O ATOM 0 H SER A 41 -1.054 3.695 8.197 1.00 0.00 H new ATOM 0 HA SER A 41 -2.801 4.714 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.944 2.239 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.206 2.221 10.985 1.00 0.00 H new ATOM 0 HG SER A 41 -1.460 3.120 12.903 1.00 0.00 H new ATOM 667 N TRP A 42 -0.686 5.837 11.151 1.00 0.00 N ATOM 668 CA TRP A 42 0.566 6.589 11.464 1.00 0.00 C ATOM 669 C TRP A 42 1.101 6.118 12.814 1.00 0.00 C ATOM 670 O TRP A 42 2.279 6.205 13.096 1.00 0.00 O ATOM 671 CB TRP A 42 0.253 8.087 11.550 1.00 0.00 C ATOM 672 CG TRP A 42 0.046 8.645 10.178 1.00 0.00 C ATOM 673 CD1 TRP A 42 -1.160 8.895 9.616 1.00 0.00 C ATOM 674 CD2 TRP A 42 1.047 9.034 9.193 1.00 0.00 C ATOM 675 NE1 TRP A 42 -0.961 9.413 8.348 1.00 0.00 N ATOM 676 CE2 TRP A 42 0.382 9.517 8.042 1.00 0.00 C ATOM 677 CE3 TRP A 42 2.454 9.015 9.188 1.00 0.00 C ATOM 678 CZ2 TRP A 42 1.086 9.965 6.924 1.00 0.00 C ATOM 679 CZ3 TRP A 42 3.169 9.464 8.063 1.00 0.00 C ATOM 680 CH2 TRP A 42 2.484 9.939 6.933 1.00 0.00 C ATOM 0 H TRP A 42 -1.534 6.213 11.575 1.00 0.00 H new ATOM 0 HA TRP A 42 1.305 6.412 10.683 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.640 8.246 12.155 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.071 8.610 12.045 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.119 8.719 10.080 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.714 9.685 7.716 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.989 8.653 10.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.555 10.330 6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.249 9.443 8.068 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.036 10.284 6.072 1.00 0.00 H new ATOM 691 N LYS A 43 0.231 5.633 13.658 1.00 0.00 N ATOM 692 CA LYS A 43 0.661 5.165 15.008 1.00 0.00 C ATOM 693 C LYS A 43 0.878 3.654 14.998 1.00 0.00 C ATOM 694 O LYS A 43 0.059 2.902 14.506 1.00 0.00 O ATOM 695 CB LYS A 43 -0.437 5.494 16.023 1.00 0.00 C ATOM 696 CG LYS A 43 -0.760 6.995 15.990 1.00 0.00 C ATOM 697 CD LYS A 43 -2.152 7.255 16.593 1.00 0.00 C ATOM 698 CE LYS A 43 -2.333 6.478 17.905 1.00 0.00 C ATOM 699 NZ LYS A 43 -1.086 6.556 18.718 1.00 0.00 N ATOM 0 H LYS A 43 -0.767 5.540 13.469 1.00 0.00 H new ATOM 0 HA LYS A 43 1.593 5.663 15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.334 4.917 15.799 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.115 5.206 17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.005 7.549 16.548 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.727 7.358 14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.280 8.322 16.777 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.923 6.959 15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.171 6.889 18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.573 5.437 17.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.810 5.601 19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.324 6.971 18.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.254 7.151 19.555 1.00 0.00 H new ATOM 713 N LEU A 44 1.959 3.197 15.566 1.00 0.00 N ATOM 714 CA LEU A 44 2.204 1.731 15.617 1.00 0.00 C ATOM 715 C LEU A 44 1.372 1.161 16.765 1.00 0.00 C ATOM 716 O LEU A 44 0.987 0.012 16.759 1.00 0.00 O ATOM 717 CB LEU A 44 3.696 1.466 15.864 1.00 0.00 C ATOM 718 CG LEU A 44 3.950 -0.036 16.057 1.00 0.00 C ATOM 719 CD1 LEU A 44 3.439 -0.822 14.840 1.00 0.00 C ATOM 720 CD2 LEU A 44 5.457 -0.269 16.222 1.00 0.00 C ATOM 0 H LEU A 44 2.681 3.775 15.996 1.00 0.00 H new ATOM 0 HA LEU A 44 1.922 1.259 14.676 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.281 1.835 15.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.028 2.013 16.746 1.00 0.00 H new ATOM 0 HG LEU A 44 3.419 -0.381 16.945 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.625 -1.886 14.989 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.369 -0.654 14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.960 -0.485 13.944 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.648 -1.333 16.360 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.979 0.081 15.331 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.817 0.280 17.092 1.00 0.00 H new ATOM 732 N VAL A 45 1.078 1.972 17.748 1.00 0.00 N ATOM 733 CA VAL A 45 0.255 1.498 18.901 1.00 0.00 C ATOM 734 C VAL A 45 -0.621 2.654 19.380 1.00 0.00 C ATOM 735 O VAL A 45 -0.318 3.810 19.162 1.00 0.00 O ATOM 736 CB VAL A 45 1.173 1.003 20.031 1.00 0.00 C ATOM 737 CG1 VAL A 45 2.362 0.252 19.427 1.00 0.00 C ATOM 738 CG2 VAL A 45 1.689 2.187 20.861 1.00 0.00 C ATOM 0 H VAL A 45 1.374 2.947 17.802 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.380 0.666 18.595 1.00 0.00 H new ATOM 0 HB VAL A 45 0.604 0.338 20.681 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.014 -0.100 20.226 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.000 -0.601 18.852 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.920 0.921 18.772 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.337 1.819 21.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.252 2.864 20.218 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.845 2.720 21.298 1.00 0.00 H new ATOM 748 N ALA A 46 -1.710 2.350 20.015 1.00 0.00 N ATOM 749 CA ALA A 46 -2.609 3.430 20.487 1.00 0.00 C ATOM 750 C ALA A 46 -1.946 4.187 21.638 1.00 0.00 C ATOM 751 O ALA A 46 -2.393 4.156 22.766 1.00 0.00 O ATOM 752 CB ALA A 46 -3.938 2.812 20.929 1.00 0.00 C ATOM 0 H ALA A 46 -2.017 1.401 20.228 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.800 4.139 19.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.607 3.599 21.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.396 2.294 20.087 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.759 2.103 21.737 1.00 0.00 H new ATOM 758 N THR A 47 -0.884 4.884 21.337 1.00 0.00 N ATOM 759 CA THR A 47 -0.170 5.677 22.374 1.00 0.00 C ATOM 760 C THR A 47 0.465 6.884 21.689 1.00 0.00 C ATOM 761 O THR A 47 0.450 7.988 22.196 1.00 0.00 O ATOM 762 CB THR A 47 0.917 4.822 23.025 1.00 0.00 C ATOM 763 OG1 THR A 47 0.343 3.614 23.507 1.00 0.00 O ATOM 764 CG2 THR A 47 1.536 5.592 24.187 1.00 0.00 C ATOM 0 H THR A 47 -0.477 4.937 20.403 1.00 0.00 H new ATOM 0 HA THR A 47 -0.866 6.001 23.148 1.00 0.00 H new ATOM 0 HB THR A 47 1.688 4.589 22.291 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.039 3.064 23.923 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.312 4.985 24.654 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.974 6.519 23.817 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.765 5.823 24.922 1.00 0.00 H new ATOM 772 N ASP A 48 1.008 6.672 20.523 1.00 0.00 N ATOM 773 CA ASP A 48 1.637 7.785 19.763 1.00 0.00 C ATOM 774 C ASP A 48 0.539 8.759 19.316 1.00 0.00 C ATOM 775 O ASP A 48 -0.593 8.660 19.743 1.00 0.00 O ATOM 776 CB ASP A 48 2.349 7.193 18.536 1.00 0.00 C ATOM 777 CG ASP A 48 3.750 6.712 18.928 1.00 0.00 C ATOM 778 OD1 ASP A 48 3.884 6.160 20.007 1.00 0.00 O ATOM 779 OD2 ASP A 48 4.663 6.904 18.141 1.00 0.00 O ATOM 0 H ASP A 48 1.043 5.764 20.060 1.00 0.00 H new ATOM 0 HA ASP A 48 2.359 8.318 20.382 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.769 6.362 18.134 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.420 7.943 17.748 1.00 0.00 H new ATOM 784 N ARG A 49 0.860 9.697 18.456 1.00 0.00 N ATOM 785 CA ARG A 49 -0.175 10.669 17.973 1.00 0.00 C ATOM 786 C ARG A 49 0.000 10.892 16.473 1.00 0.00 C ATOM 787 O ARG A 49 1.091 10.819 15.941 1.00 0.00 O ATOM 788 CB ARG A 49 -0.023 12.012 18.681 1.00 0.00 C ATOM 789 CG ARG A 49 -0.227 11.831 20.193 1.00 0.00 C ATOM 790 CD ARG A 49 -1.701 11.477 20.508 1.00 0.00 C ATOM 791 NE ARG A 49 -2.191 12.301 21.660 1.00 0.00 N ATOM 792 CZ ARG A 49 -1.488 12.426 22.756 1.00 0.00 C ATOM 793 NH1 ARG A 49 -0.380 11.755 22.912 1.00 0.00 N ATOM 794 NH2 ARG A 49 -1.914 13.202 23.715 1.00 0.00 N ATOM 0 H ARG A 49 1.793 9.832 18.067 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.161 10.257 18.187 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.966 12.426 18.486 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.750 12.724 18.290 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.428 11.042 20.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.052 12.746 20.715 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.322 11.657 19.631 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.786 10.417 20.746 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.092 12.774 21.588 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.056 11.127 22.176 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.162 11.858 23.770 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.793 13.709 23.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.368 13.302 24.571 1.00 0.00 H new ATOM 808 N VAL A 50 -1.071 11.172 15.792 1.00 0.00 N ATOM 809 CA VAL A 50 -0.995 11.415 14.320 1.00 0.00 C ATOM 810 C VAL A 50 -0.636 12.887 14.059 1.00 0.00 C ATOM 811 O VAL A 50 -1.184 13.765 14.694 1.00 0.00 O ATOM 812 CB VAL A 50 -2.358 11.124 13.686 1.00 0.00 C ATOM 813 CG1 VAL A 50 -2.790 9.697 14.023 1.00 0.00 C ATOM 814 CG2 VAL A 50 -3.394 12.115 14.230 1.00 0.00 C ATOM 0 H VAL A 50 -2.007 11.245 16.191 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.234 10.765 13.888 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.284 11.230 12.604 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.760 9.494 13.570 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.054 8.993 13.635 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.864 9.585 15.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.365 11.910 13.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.466 12.009 15.312 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.088 13.132 13.985 1.00 0.00 H new ATOM 824 N PRO A 51 0.241 13.185 13.122 1.00 0.00 N ATOM 825 CA PRO A 51 0.582 14.600 12.811 1.00 0.00 C ATOM 826 C PRO A 51 -0.677 15.468 12.751 1.00 0.00 C ATOM 827 O PRO A 51 -1.780 14.978 12.612 1.00 0.00 O ATOM 828 CB PRO A 51 1.274 14.516 11.447 1.00 0.00 C ATOM 829 CG PRO A 51 1.891 13.152 11.409 1.00 0.00 C ATOM 830 CD PRO A 51 0.998 12.244 12.270 1.00 0.00 C ATOM 0 HA PRO A 51 1.214 15.062 13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.561 14.649 10.634 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.030 15.294 11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.949 12.781 10.386 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.909 13.176 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.332 11.640 11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.592 11.553 12.869 1.00 0.00 H new ATOM 838 N ALA A 52 -0.519 16.745 12.887 1.00 0.00 N ATOM 839 CA ALA A 52 -1.694 17.655 12.872 1.00 0.00 C ATOM 840 C ALA A 52 -2.506 17.514 11.574 1.00 0.00 C ATOM 841 O ALA A 52 -3.568 16.925 11.559 1.00 0.00 O ATOM 842 CB ALA A 52 -1.191 19.089 13.032 1.00 0.00 C ATOM 0 H ALA A 52 0.382 17.207 13.010 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.360 17.391 13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.038 19.775 13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.657 19.184 13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.519 19.333 12.209 1.00 0.00 H new ATOM 848 N GLY A 53 -2.032 18.080 10.502 1.00 0.00 N ATOM 849 CA GLY A 53 -2.786 18.020 9.214 1.00 0.00 C ATOM 850 C GLY A 53 -3.177 16.582 8.851 1.00 0.00 C ATOM 851 O GLY A 53 -3.818 16.351 7.845 1.00 0.00 O ATOM 0 H GLY A 53 -1.148 18.587 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.684 18.633 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.177 18.444 8.416 1.00 0.00 H new ATOM 855 N LYS A 54 -2.797 15.607 9.635 1.00 0.00 N ATOM 856 CA LYS A 54 -3.152 14.195 9.290 1.00 0.00 C ATOM 857 C LYS A 54 -4.482 13.811 9.954 1.00 0.00 C ATOM 858 O LYS A 54 -4.899 14.401 10.931 1.00 0.00 O ATOM 859 CB LYS A 54 -2.029 13.264 9.781 1.00 0.00 C ATOM 860 CG LYS A 54 -0.941 13.097 8.703 1.00 0.00 C ATOM 861 CD LYS A 54 -0.579 14.450 8.054 1.00 0.00 C ATOM 862 CE LYS A 54 0.847 14.396 7.496 1.00 0.00 C ATOM 863 NZ LYS A 54 1.037 15.501 6.516 1.00 0.00 N ATOM 0 H LYS A 54 -2.260 15.724 10.494 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.263 14.097 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.586 13.670 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.445 12.290 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.050 12.656 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.290 12.405 7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.283 14.680 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.661 15.250 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.570 14.486 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.025 13.434 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.005 15.466 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.355 15.396 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.884 16.415 6.989 1.00 0.00 H new ATOM 877 N ARG A 55 -5.145 12.818 9.420 1.00 0.00 N ATOM 878 CA ARG A 55 -6.445 12.374 9.998 1.00 0.00 C ATOM 879 C ARG A 55 -6.180 11.447 11.188 1.00 0.00 C ATOM 880 O ARG A 55 -5.054 11.084 11.464 1.00 0.00 O ATOM 881 CB ARG A 55 -7.235 11.597 8.934 1.00 0.00 C ATOM 882 CG ARG A 55 -7.441 12.459 7.666 1.00 0.00 C ATOM 883 CD ARG A 55 -8.784 13.197 7.733 1.00 0.00 C ATOM 884 NE ARG A 55 -9.886 12.204 7.890 1.00 0.00 N ATOM 885 CZ ARG A 55 -11.076 12.600 8.249 1.00 0.00 C ATOM 886 NH1 ARG A 55 -11.307 13.867 8.458 1.00 0.00 N ATOM 887 NH2 ARG A 55 -12.036 11.729 8.396 1.00 0.00 N ATOM 0 H ARG A 55 -4.837 12.293 8.602 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.014 13.245 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.702 10.682 8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.202 11.299 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.628 13.179 7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.411 11.826 6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.787 13.895 8.570 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.935 13.784 6.827 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.709 11.215 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.557 14.548 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.238 14.176 8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.856 10.739 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.967 12.038 8.677 1.00 0.00 H new ATOM 901 N ASP A 56 -7.212 11.053 11.890 1.00 0.00 N ATOM 902 CA ASP A 56 -7.030 10.137 13.059 1.00 0.00 C ATOM 903 C ASP A 56 -7.328 8.703 12.623 1.00 0.00 C ATOM 904 O ASP A 56 -8.180 8.462 11.791 1.00 0.00 O ATOM 905 CB ASP A 56 -7.991 10.539 14.180 1.00 0.00 C ATOM 906 CG ASP A 56 -9.434 10.343 13.711 1.00 0.00 C ATOM 907 OD1 ASP A 56 -9.745 10.783 12.616 1.00 0.00 O ATOM 908 OD2 ASP A 56 -10.204 9.756 14.454 1.00 0.00 O ATOM 0 H ASP A 56 -8.177 11.327 11.704 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.004 10.206 13.422 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.802 9.937 15.069 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.826 11.580 14.459 1.00 0.00 H new ATOM 913 N ALA A 57 -6.629 7.748 13.171 1.00 0.00 N ATOM 914 CA ALA A 57 -6.875 6.335 12.776 1.00 0.00 C ATOM 915 C ALA A 57 -6.205 5.390 13.770 1.00 0.00 C ATOM 916 O ALA A 57 -5.338 4.626 13.402 1.00 0.00 O ATOM 917 CB ALA A 57 -6.289 6.090 11.390 1.00 0.00 C ATOM 0 H ALA A 57 -5.901 7.885 13.872 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.949 6.150 12.768 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.467 5.055 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.764 6.758 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.216 6.282 11.409 1.00 0.00 H new ATOM 923 N ILE A 58 -6.638 5.421 15.010 1.00 0.00 N ATOM 924 CA ILE A 58 -6.090 4.524 16.080 1.00 0.00 C ATOM 925 C ILE A 58 -4.670 4.061 15.745 1.00 0.00 C ATOM 926 O ILE A 58 -3.874 4.810 15.213 1.00 0.00 O ATOM 927 CB ILE A 58 -7.033 3.325 16.250 1.00 0.00 C ATOM 928 CG1 ILE A 58 -7.091 2.482 14.958 1.00 0.00 C ATOM 929 CG2 ILE A 58 -8.432 3.849 16.568 1.00 0.00 C ATOM 930 CD1 ILE A 58 -8.264 1.478 14.990 1.00 0.00 C ATOM 0 H ILE A 58 -7.372 6.051 15.334 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.031 5.078 17.017 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.663 2.694 17.058 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.198 3.141 14.097 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.152 1.943 14.832 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.116 3.009 16.692 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.402 4.431 17.489 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.778 4.481 15.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.275 0.901 14.065 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -8.142 0.803 15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.204 2.020 15.091 1.00 0.00 H new ATOM 942 N SER A 59 -4.360 2.828 16.032 1.00 0.00 N ATOM 943 CA SER A 59 -3.010 2.282 15.710 1.00 0.00 C ATOM 944 C SER A 59 -3.211 1.040 14.856 1.00 0.00 C ATOM 945 O SER A 59 -4.191 0.335 14.997 1.00 0.00 O ATOM 946 CB SER A 59 -2.273 1.920 17.002 1.00 0.00 C ATOM 947 OG SER A 59 -2.398 0.525 17.254 1.00 0.00 O ATOM 0 H SER A 59 -4.992 2.166 16.482 1.00 0.00 H new ATOM 0 HA SER A 59 -2.413 3.020 15.175 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.220 2.191 16.919 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.684 2.488 17.837 1.00 0.00 H new ATOM 0 HG SER A 59 -2.543 0.377 18.212 1.00 0.00 H new ATOM 953 N LEU A 60 -2.313 0.771 13.958 1.00 0.00 N ATOM 954 CA LEU A 60 -2.490 -0.419 13.089 1.00 0.00 C ATOM 955 C LEU A 60 -2.820 -1.641 13.963 1.00 0.00 C ATOM 956 O LEU A 60 -3.600 -2.488 13.585 1.00 0.00 O ATOM 957 CB LEU A 60 -1.192 -0.659 12.277 1.00 0.00 C ATOM 958 CG LEU A 60 -1.502 -0.739 10.775 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.189 -0.769 9.989 1.00 0.00 C ATOM 960 CD2 LEU A 60 -2.322 -1.999 10.467 1.00 0.00 C ATOM 0 H LEU A 60 -1.469 1.319 13.788 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.312 -0.256 12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.484 0.148 12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.717 -1.583 12.606 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.084 0.135 10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.405 -0.826 8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.380 0.137 10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.394 -1.640 10.288 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.534 -2.043 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.755 -2.883 10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.259 -1.968 11.022 1.00 0.00 H new ATOM 972 N ARG A 61 -2.231 -1.734 15.126 1.00 0.00 N ATOM 973 CA ARG A 61 -2.517 -2.897 16.012 1.00 0.00 C ATOM 974 C ARG A 61 -4.003 -2.893 16.398 1.00 0.00 C ATOM 975 O ARG A 61 -4.581 -3.934 16.647 1.00 0.00 O ATOM 976 CB ARG A 61 -1.615 -2.816 17.263 1.00 0.00 C ATOM 977 CG ARG A 61 -0.365 -3.695 17.077 1.00 0.00 C ATOM 978 CD ARG A 61 0.442 -3.199 15.876 1.00 0.00 C ATOM 979 NE ARG A 61 1.716 -3.970 15.765 1.00 0.00 N ATOM 980 CZ ARG A 61 2.417 -3.910 14.667 1.00 0.00 C ATOM 981 NH1 ARG A 61 2.011 -3.164 13.676 1.00 0.00 N ATOM 982 NH2 ARG A 61 3.524 -4.593 14.560 1.00 0.00 N ATOM 0 H ARG A 61 -1.566 -1.056 15.499 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.303 -3.830 15.491 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.318 -1.782 17.440 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.170 -3.143 18.142 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.249 -3.665 17.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.659 -4.734 16.926 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.142 -3.312 14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.658 -2.136 15.986 1.00 0.00 H new ATOM 0 HE ARG A 61 2.037 -4.542 16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.147 -2.629 13.761 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.558 -3.116 12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.842 -5.174 15.336 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.072 -4.545 13.701 1.00 0.00 H new ATOM 996 N GLU A 62 -4.645 -1.751 16.430 1.00 0.00 N ATOM 997 CA GLU A 62 -6.094 -1.745 16.774 1.00 0.00 C ATOM 998 C GLU A 62 -6.872 -2.208 15.539 1.00 0.00 C ATOM 999 O GLU A 62 -7.795 -2.993 15.631 1.00 0.00 O ATOM 1000 CB GLU A 62 -6.535 -0.339 17.188 1.00 0.00 C ATOM 1001 CG GLU A 62 -6.144 -0.076 18.647 1.00 0.00 C ATOM 1002 CD GLU A 62 -4.645 -0.319 18.839 1.00 0.00 C ATOM 1003 OE1 GLU A 62 -4.240 -1.469 18.791 1.00 0.00 O ATOM 1004 OE2 GLU A 62 -3.931 0.648 19.040 1.00 0.00 O ATOM 0 H GLU A 62 -4.234 -0.838 16.236 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.287 -2.414 17.612 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.070 0.403 16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.614 -0.237 17.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.392 0.950 18.919 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.714 -0.728 19.308 1.00 0.00 H new ATOM 1011 N LYS A 63 -6.482 -1.751 14.377 1.00 0.00 N ATOM 1012 CA LYS A 63 -7.172 -2.190 13.130 1.00 0.00 C ATOM 1013 C LYS A 63 -6.880 -3.676 12.931 1.00 0.00 C ATOM 1014 O LYS A 63 -7.772 -4.498 12.887 1.00 0.00 O ATOM 1015 CB LYS A 63 -6.641 -1.387 11.940 1.00 0.00 C ATOM 1016 CG LYS A 63 -7.027 0.086 12.120 1.00 0.00 C ATOM 1017 CD LYS A 63 -6.794 0.865 10.820 1.00 0.00 C ATOM 1018 CE LYS A 63 -7.511 2.219 10.897 1.00 0.00 C ATOM 1019 NZ LYS A 63 -8.949 2.039 10.555 1.00 0.00 N ATOM 0 H LYS A 63 -5.715 -1.093 14.239 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.247 -2.025 13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.558 -1.487 11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.056 -1.774 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.074 0.160 12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.439 0.526 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.726 1.016 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.165 0.293 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.414 2.638 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.048 2.927 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.428 2.962 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.031 1.626 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.394 1.404 11.248 1.00 0.00 H new ATOM 1033 N ILE A 64 -5.625 -4.019 12.843 1.00 0.00 N ATOM 1034 CA ILE A 64 -5.225 -5.447 12.678 1.00 0.00 C ATOM 1035 C ILE A 64 -6.038 -6.308 13.655 1.00 0.00 C ATOM 1036 O ILE A 64 -6.568 -7.342 13.300 1.00 0.00 O ATOM 1037 CB ILE A 64 -3.712 -5.549 12.988 1.00 0.00 C ATOM 1038 CG1 ILE A 64 -2.894 -5.234 11.723 1.00 0.00 C ATOM 1039 CG2 ILE A 64 -3.325 -6.945 13.495 1.00 0.00 C ATOM 1040 CD1 ILE A 64 -1.487 -4.778 12.125 1.00 0.00 C ATOM 0 H ILE A 64 -4.847 -3.361 12.879 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.417 -5.800 11.665 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.492 -4.825 13.772 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.834 -6.117 11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.388 -4.455 11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.255 -6.974 13.701 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.876 -7.166 14.409 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.569 -7.688 12.736 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.907 -4.555 11.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.557 -3.884 12.744 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.994 -5.571 12.688 1.00 0.00 H new ATOM 1052 N ALA A 65 -6.130 -5.884 14.884 1.00 0.00 N ATOM 1053 CA ALA A 65 -6.895 -6.664 15.898 1.00 0.00 C ATOM 1054 C ALA A 65 -8.322 -6.905 15.408 1.00 0.00 C ATOM 1055 O ALA A 65 -8.917 -7.927 15.685 1.00 0.00 O ATOM 1056 CB ALA A 65 -6.941 -5.883 17.212 1.00 0.00 C ATOM 0 H ALA A 65 -5.705 -5.025 15.233 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.401 -7.623 16.053 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.500 -6.452 17.954 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.926 -5.716 17.572 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.430 -4.923 17.048 1.00 0.00 H new ATOM 1062 N GLU A 66 -8.884 -5.973 14.687 1.00 0.00 N ATOM 1063 CA GLU A 66 -10.277 -6.161 14.195 1.00 0.00 C ATOM 1064 C GLU A 66 -10.282 -7.198 13.073 1.00 0.00 C ATOM 1065 O GLU A 66 -11.204 -7.977 12.933 1.00 0.00 O ATOM 1066 CB GLU A 66 -10.816 -4.831 13.664 1.00 0.00 C ATOM 1067 CG GLU A 66 -10.922 -3.827 14.813 1.00 0.00 C ATOM 1068 CD GLU A 66 -12.097 -4.205 15.716 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.827 -5.114 15.354 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -12.248 -3.582 16.754 1.00 0.00 O ATOM 0 H GLU A 66 -8.441 -5.094 14.419 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.909 -6.506 15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.156 -4.443 12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.794 -4.980 13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.996 -3.818 15.388 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.062 -2.821 14.419 1.00 0.00 H new ATOM 1077 N LEU A 67 -9.256 -7.209 12.272 1.00 0.00 N ATOM 1078 CA LEU A 67 -9.187 -8.191 11.154 1.00 0.00 C ATOM 1079 C LEU A 67 -8.997 -9.599 11.723 1.00 0.00 C ATOM 1080 O LEU A 67 -9.557 -10.559 11.232 1.00 0.00 O ATOM 1081 CB LEU A 67 -8.009 -7.837 10.239 1.00 0.00 C ATOM 1082 CG LEU A 67 -7.962 -6.320 10.028 1.00 0.00 C ATOM 1083 CD1 LEU A 67 -6.828 -5.973 9.062 1.00 0.00 C ATOM 1084 CD2 LEU A 67 -9.295 -5.843 9.444 1.00 0.00 C ATOM 0 H LEU A 67 -8.458 -6.578 12.343 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.113 -8.158 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.075 -8.182 10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.114 -8.345 9.280 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.788 -5.827 10.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.795 -4.894 8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.879 -6.311 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.001 -6.467 8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.261 -4.764 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.471 -6.337 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.103 -6.088 10.133 1.00 0.00 H new ATOM 1096 N GLN A 68 -8.209 -9.730 12.756 1.00 0.00 N ATOM 1097 CA GLN A 68 -7.979 -11.076 13.356 1.00 0.00 C ATOM 1098 C GLN A 68 -9.134 -11.421 14.301 1.00 0.00 C ATOM 1099 O GLN A 68 -9.370 -12.570 14.613 1.00 0.00 O ATOM 1100 CB GLN A 68 -6.666 -11.064 14.142 1.00 0.00 C ATOM 1101 CG GLN A 68 -5.511 -10.718 13.201 1.00 0.00 C ATOM 1102 CD GLN A 68 -5.337 -11.837 12.174 1.00 0.00 C ATOM 1103 OE1 GLN A 68 -5.698 -12.970 12.426 1.00 0.00 O ATOM 1104 NE2 GLN A 68 -4.795 -11.567 11.018 1.00 0.00 N ATOM 0 H GLN A 68 -7.714 -8.963 13.211 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.924 -11.822 12.563 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.721 -10.335 14.951 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.496 -12.038 14.601 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.711 -9.773 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.591 -10.586 13.770 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.492 -10.616 10.806 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.674 -12.307 10.326 1.00 0.00 H new