USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 422 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 83:sc= 0.936 USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= 0.278 (180deg=0.0456) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 28 LYS NZ :NH3+ -140:sc=-0.00107 (180deg=-0.0835) USER MOD Single : A 29 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.25) USER MOD Single : B 9 LYS NZ :NH3+ -176:sc= 0.0678 (180deg=0.0641) USER MOD Single : B 10 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.4!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS :FLIP no HD1:sc= -1.69 F(o=-2.2,f=-1.7) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.0027) USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 21 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0874) USER MOD Single : B 23 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.29) USER MOD Single : B 24 ASN : amide:sc= -5.94! C(o=-5.9!,f=-16!) USER MOD Single : B 29 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.2!) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.010 17.643 3.761 1.00 0.00 N ATOM 48 CA GLN A 7 5.995 17.064 2.853 1.00 0.00 C ATOM 49 C GLN A 7 6.484 15.720 3.384 1.00 0.00 C ATOM 50 O GLN A 7 6.801 14.811 2.617 1.00 0.00 O ATOM 51 CB GLN A 7 7.194 18.002 2.693 1.00 0.00 C ATOM 52 CG GLN A 7 8.061 17.527 1.526 1.00 0.00 C ATOM 53 CD GLN A 7 9.510 17.937 1.768 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.979 18.936 1.223 1.00 0.00 O ATOM 55 NE2 GLN A 7 10.254 17.217 2.563 1.00 0.00 N ATOM 0 HA GLN A 7 5.515 16.920 1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.851 19.021 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.780 18.020 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.991 16.444 1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.701 17.959 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.865 16.389 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.224 17.482 2.733 1.00 0.00 H new ATOM 64 N ALA A 8 6.541 15.605 4.707 1.00 0.00 N ATOM 65 CA ALA A 8 6.991 14.369 5.337 1.00 0.00 C ATOM 66 C ALA A 8 5.941 13.273 5.175 1.00 0.00 C ATOM 67 O ALA A 8 6.266 12.120 4.892 1.00 0.00 O ATOM 68 CB ALA A 8 7.253 14.590 6.828 1.00 0.00 C ATOM 0 H ALA A 8 6.284 16.346 5.359 1.00 0.00 H new ATOM 0 HA ALA A 8 7.916 14.062 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.588 13.657 7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.023 15.351 6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.335 14.920 7.314 1.00 0.00 H new ATOM 74 N GLU A 9 4.679 13.649 5.358 1.00 0.00 N ATOM 75 CA GLU A 9 3.584 12.691 5.230 1.00 0.00 C ATOM 76 C GLU A 9 3.309 12.390 3.760 1.00 0.00 C ATOM 77 O GLU A 9 2.959 11.267 3.396 1.00 0.00 O ATOM 78 CB GLU A 9 2.311 13.246 5.872 1.00 0.00 C ATOM 79 CG GLU A 9 2.396 13.096 7.392 1.00 0.00 C ATOM 80 CD GLU A 9 0.992 12.983 7.973 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.403 14.015 8.250 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.526 11.868 8.134 1.00 0.00 O ATOM 0 H GLU A 9 4.390 14.599 5.593 1.00 0.00 H new ATOM 0 HA GLU A 9 3.877 11.773 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.185 14.296 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.438 12.715 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.979 12.211 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.912 13.954 7.824 1.00 0.00 H new ATOM 89 N GLU A 10 3.473 13.408 2.920 1.00 0.00 N ATOM 90 CA GLU A 10 3.239 13.245 1.487 1.00 0.00 C ATOM 91 C GLU A 10 4.228 12.244 0.898 1.00 0.00 C ATOM 92 O GLU A 10 3.838 11.278 0.241 1.00 0.00 O ATOM 93 CB GLU A 10 3.396 14.583 0.763 1.00 0.00 C ATOM 94 CG GLU A 10 2.929 14.437 -0.686 1.00 0.00 C ATOM 95 CD GLU A 10 3.721 15.390 -1.575 1.00 0.00 C ATOM 96 OE1 GLU A 10 4.810 15.019 -1.983 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.230 16.476 -1.833 1.00 0.00 O ATOM 0 H GLU A 10 3.764 14.344 3.201 1.00 0.00 H new ATOM 0 HA GLU A 10 2.222 12.876 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.813 15.353 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.438 14.903 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.068 13.409 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.864 14.655 -0.759 1.00 0.00 H new ATOM 104 N GLN A 11 5.513 12.487 1.139 1.00 0.00 N ATOM 105 CA GLN A 11 6.557 11.602 0.628 1.00 0.00 C ATOM 106 C GLN A 11 6.396 10.196 1.203 1.00 0.00 C ATOM 107 O GLN A 11 6.720 9.204 0.551 1.00 0.00 O ATOM 108 CB GLN A 11 7.941 12.137 0.999 1.00 0.00 C ATOM 109 CG GLN A 11 8.974 11.620 -0.005 1.00 0.00 C ATOM 110 CD GLN A 11 10.366 11.699 0.611 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.535 11.481 1.811 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.385 12.004 -0.146 1.00 0.00 N ATOM 0 H GLN A 11 5.855 13.281 1.680 1.00 0.00 H new ATOM 0 HA GLN A 11 6.462 11.563 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.933 13.227 1.000 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.207 11.819 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.745 10.591 -0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.935 12.212 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.246 12.185 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.320 12.062 0.257 1.00 0.00 H new ATOM 121 N LYS A 12 5.895 10.125 2.432 1.00 0.00 N ATOM 122 CA LYS A 12 5.697 8.836 3.090 1.00 0.00 C ATOM 123 C LYS A 12 4.534 8.084 2.452 1.00 0.00 C ATOM 124 O LYS A 12 4.611 6.879 2.212 1.00 0.00 O ATOM 125 CB LYS A 12 5.405 9.033 4.579 1.00 0.00 C ATOM 126 CG LYS A 12 5.685 7.730 5.330 1.00 0.00 C ATOM 127 CD LYS A 12 5.485 7.953 6.831 1.00 0.00 C ATOM 128 CE LYS A 12 5.513 6.605 7.555 1.00 0.00 C ATOM 129 NZ LYS A 12 6.905 6.306 7.994 1.00 0.00 N ATOM 0 H LYS A 12 5.621 10.935 2.988 1.00 0.00 H new ATOM 0 HA LYS A 12 6.613 8.256 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.024 9.836 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.366 9.331 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.018 6.944 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.704 7.396 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.268 8.603 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.535 8.455 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.846 6.629 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.152 5.817 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.925 5.390 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.530 6.266 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.233 7.053 8.639 1.00 0.00 H new ATOM 143 N LEU A 13 3.450 8.808 2.180 1.00 0.00 N ATOM 144 CA LEU A 13 2.270 8.198 1.571 1.00 0.00 C ATOM 145 C LEU A 13 2.613 7.621 0.200 1.00 0.00 C ATOM 146 O LEU A 13 2.051 6.610 -0.222 1.00 0.00 O ATOM 147 CB LEU A 13 1.155 9.233 1.409 1.00 0.00 C ATOM 148 CG LEU A 13 0.417 9.403 2.737 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.211 10.796 2.799 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.683 8.343 2.847 1.00 0.00 C ATOM 0 H LEU A 13 3.364 9.807 2.369 1.00 0.00 H new ATOM 0 HA LEU A 13 1.931 7.397 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.574 10.187 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.459 8.915 0.633 1.00 0.00 H new ATOM 0 HG LEU A 13 1.121 9.286 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.737 10.916 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.571 11.551 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.915 10.915 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.210 8.463 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.386 8.461 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.237 7.350 2.804 1.00 0.00 H new ATOM 162 N ILE A 14 3.546 8.272 -0.488 1.00 0.00 N ATOM 163 CA ILE A 14 3.961 7.817 -1.811 1.00 0.00 C ATOM 164 C ILE A 14 4.857 6.585 -1.692 1.00 0.00 C ATOM 165 O ILE A 14 4.573 5.535 -2.268 1.00 0.00 O ATOM 166 CB ILE A 14 4.724 8.925 -2.545 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.858 10.186 -2.599 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.050 8.475 -3.973 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.756 11.415 -2.751 1.00 0.00 C ATOM 0 H ILE A 14 4.025 9.109 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 14 3.065 7.561 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 14 5.652 9.135 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.161 10.126 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.260 10.269 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.592 9.267 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.666 7.576 -3.940 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.124 8.261 -4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.140 12.313 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.435 11.477 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.334 11.332 -3.671 1.00 0.00 H new ATOM 181 N SER A 15 5.945 6.730 -0.941 1.00 0.00 N ATOM 182 CA SER A 15 6.883 5.626 -0.755 1.00 0.00 C ATOM 183 C SER A 15 6.188 4.431 -0.110 1.00 0.00 C ATOM 184 O SER A 15 6.492 3.278 -0.418 1.00 0.00 O ATOM 185 CB SER A 15 8.051 6.061 0.131 1.00 0.00 C ATOM 186 OG SER A 15 8.585 7.284 -0.360 1.00 0.00 O ATOM 0 H SER A 15 6.198 7.591 -0.456 1.00 0.00 H new ATOM 0 HA SER A 15 7.258 5.338 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.715 6.185 1.160 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.823 5.291 0.139 1.00 0.00 H new ATOM 0 HG SER A 15 8.046 8.033 -0.029 1.00 0.00 H new ATOM 192 N GLU A 16 5.248 4.719 0.785 1.00 0.00 N ATOM 193 CA GLU A 16 4.512 3.658 1.467 1.00 0.00 C ATOM 194 C GLU A 16 3.670 2.871 0.469 1.00 0.00 C ATOM 195 O GLU A 16 3.571 1.647 0.545 1.00 0.00 O ATOM 196 CB GLU A 16 3.592 4.248 2.540 1.00 0.00 C ATOM 197 CG GLU A 16 2.989 3.116 3.376 1.00 0.00 C ATOM 198 CD GLU A 16 4.031 2.600 4.362 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.172 3.204 5.413 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.674 1.611 4.052 1.00 0.00 O ATOM 0 H GLU A 16 4.980 5.666 1.053 1.00 0.00 H new ATOM 0 HA GLU A 16 5.237 2.993 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.153 4.928 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.799 4.832 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.111 3.475 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.656 2.307 2.726 1.00 0.00 H new ATOM 207 N GLU A 17 3.067 3.591 -0.473 1.00 0.00 N ATOM 208 CA GLU A 17 2.234 2.954 -1.488 1.00 0.00 C ATOM 209 C GLU A 17 3.067 1.999 -2.337 1.00 0.00 C ATOM 210 O GLU A 17 2.680 0.855 -2.570 1.00 0.00 O ATOM 211 CB GLU A 17 1.599 4.006 -2.401 1.00 0.00 C ATOM 212 CG GLU A 17 0.528 3.348 -3.273 1.00 0.00 C ATOM 213 CD GLU A 17 0.163 4.280 -4.423 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.078 5.474 -4.186 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.026 3.786 -5.521 1.00 0.00 O ATOM 0 H GLU A 17 3.138 4.605 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 17 1.449 2.397 -0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.157 4.802 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.362 4.466 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.895 2.399 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.357 3.127 -2.676 1.00 0.00 H new ATOM 222 N ASP A 18 4.220 2.483 -2.792 1.00 0.00 N ATOM 223 CA ASP A 18 5.109 1.666 -3.615 1.00 0.00 C ATOM 224 C ASP A 18 5.563 0.430 -2.842 1.00 0.00 C ATOM 225 O ASP A 18 5.770 -0.638 -3.417 1.00 0.00 O ATOM 226 CB ASP A 18 6.339 2.471 -4.037 1.00 0.00 C ATOM 227 CG ASP A 18 6.904 1.898 -5.332 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.062 0.692 -5.403 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.170 2.676 -6.234 1.00 0.00 O ATOM 0 H ASP A 18 4.559 3.427 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 18 4.557 1.357 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.071 3.518 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.095 2.438 -3.252 1.00 0.00 H new ATOM 234 N LEU A 19 5.711 0.590 -1.528 1.00 0.00 N ATOM 235 CA LEU A 19 6.136 -0.518 -0.676 1.00 0.00 C ATOM 236 C LEU A 19 5.131 -1.664 -0.758 1.00 0.00 C ATOM 237 O LEU A 19 5.494 -2.837 -0.688 1.00 0.00 O ATOM 238 CB LEU A 19 6.254 -0.062 0.779 1.00 0.00 C ATOM 239 CG LEU A 19 7.012 -1.117 1.586 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.517 -0.911 1.411 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.648 -0.982 3.066 1.00 0.00 C ATOM 0 H LEU A 19 5.545 1.467 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 19 7.110 -0.859 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.775 0.894 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.262 0.093 1.204 1.00 0.00 H new ATOM 0 HG LEU A 19 6.739 -2.111 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.057 -1.663 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.777 -1.005 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.792 0.083 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.187 -1.733 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.922 0.012 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.575 -1.129 3.192 1.00 0.00 H new ATOM 253 N LEU A 20 3.861 -1.302 -0.917 1.00 0.00 N ATOM 254 CA LEU A 20 2.801 -2.299 -1.018 1.00 0.00 C ATOM 255 C LEU A 20 2.775 -2.916 -2.415 1.00 0.00 C ATOM 256 O LEU A 20 2.347 -4.056 -2.596 1.00 0.00 O ATOM 257 CB LEU A 20 1.440 -1.662 -0.729 1.00 0.00 C ATOM 258 CG LEU A 20 1.185 -1.663 0.778 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.258 -0.500 1.141 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.527 -2.984 1.182 1.00 0.00 C ATOM 0 H LEU A 20 3.543 -0.335 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 20 3.002 -3.078 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.416 -0.642 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.652 -2.214 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 20 2.132 -1.551 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.076 -0.501 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.726 0.442 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.689 -0.611 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.345 -2.986 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.420 -3.096 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.187 -3.813 0.924 1.00 0.00 H new ATOM 272 N ARG A 21 3.238 -2.149 -3.405 1.00 0.00 N ATOM 273 CA ARG A 21 3.263 -2.632 -4.784 1.00 0.00 C ATOM 274 C ARG A 21 4.131 -3.883 -4.897 1.00 0.00 C ATOM 275 O ARG A 21 3.692 -4.920 -5.393 1.00 0.00 O ATOM 276 CB ARG A 21 3.823 -1.558 -5.722 1.00 0.00 C ATOM 277 CG ARG A 21 2.969 -0.291 -5.620 1.00 0.00 C ATOM 278 CD ARG A 21 1.693 -0.468 -6.444 1.00 0.00 C ATOM 279 NE ARG A 21 1.949 -0.194 -7.860 1.00 0.00 N ATOM 280 CZ ARG A 21 0.959 0.067 -8.725 1.00 0.00 C ATOM 281 NH1 ARG A 21 -0.295 0.084 -8.341 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.248 0.307 -9.976 1.00 0.00 N ATOM 0 H ARG A 21 3.596 -1.202 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 21 2.239 -2.869 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.857 -1.334 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.828 -1.924 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.717 -0.092 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.532 0.570 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.317 -1.484 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.918 0.203 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 21 2.911 -0.202 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.533 -0.104 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.032 0.285 -9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.220 0.295 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.502 0.507 -10.642 1.00 0.00 H new ATOM 296 N LYS A 22 5.371 -3.770 -4.426 1.00 0.00 N ATOM 297 CA LYS A 22 6.298 -4.898 -4.477 1.00 0.00 C ATOM 298 C LYS A 22 5.872 -5.981 -3.492 1.00 0.00 C ATOM 299 O LYS A 22 6.043 -7.173 -3.745 1.00 0.00 O ATOM 300 CB LYS A 22 7.717 -4.440 -4.131 1.00 0.00 C ATOM 301 CG LYS A 22 8.724 -5.492 -4.603 1.00 0.00 C ATOM 302 CD LYS A 22 9.241 -5.115 -5.992 1.00 0.00 C ATOM 303 CE LYS A 22 9.928 -6.325 -6.628 1.00 0.00 C ATOM 304 NZ LYS A 22 8.916 -7.151 -7.344 1.00 0.00 N ATOM 0 H LYS A 22 5.753 -2.921 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 22 6.283 -5.301 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.927 -3.482 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.810 -4.290 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.554 -5.558 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.253 -6.474 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.415 -4.781 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.942 -4.283 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.701 -5.995 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.423 -6.921 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.358 -7.603 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.549 -7.883 -6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.133 -6.544 -7.660 1.00 0.00 H new ATOM 318 N ARG A 23 5.315 -5.551 -2.362 1.00 0.00 N ATOM 319 CA ARG A 23 4.865 -6.491 -1.341 1.00 0.00 C ATOM 320 C ARG A 23 3.744 -7.372 -1.882 1.00 0.00 C ATOM 321 O ARG A 23 3.739 -8.587 -1.685 1.00 0.00 O ATOM 322 CB ARG A 23 4.358 -5.740 -0.108 1.00 0.00 C ATOM 323 CG ARG A 23 4.351 -6.681 1.098 1.00 0.00 C ATOM 324 CD ARG A 23 3.536 -6.056 2.230 1.00 0.00 C ATOM 325 NE ARG A 23 3.197 -7.062 3.240 1.00 0.00 N ATOM 326 CZ ARG A 23 4.090 -7.497 4.141 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.318 -7.037 4.159 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.730 -8.395 5.016 1.00 0.00 N ATOM 0 H ARG A 23 5.166 -4.568 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 23 5.714 -7.115 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.995 -4.879 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.354 -5.358 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.925 -7.644 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.372 -6.869 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.104 -5.248 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.624 -5.615 1.828 1.00 0.00 H new ATOM 0 HE ARG A 23 2.251 -7.444 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.610 -6.335 3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.981 -7.381 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.777 -8.759 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.401 -8.733 5.706 1.00 0.00 H new ATOM 342 N ARG A 24 2.792 -6.744 -2.567 1.00 0.00 N ATOM 343 CA ARG A 24 1.665 -7.478 -3.135 1.00 0.00 C ATOM 344 C ARG A 24 2.154 -8.491 -4.165 1.00 0.00 C ATOM 345 O ARG A 24 1.575 -9.566 -4.322 1.00 0.00 O ATOM 346 CB ARG A 24 0.683 -6.517 -3.809 1.00 0.00 C ATOM 347 CG ARG A 24 -0.645 -7.233 -4.058 1.00 0.00 C ATOM 348 CD ARG A 24 -1.799 -6.243 -3.897 1.00 0.00 C ATOM 349 NE ARG A 24 -2.157 -5.651 -5.187 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.880 -6.316 -6.100 1.00 0.00 C ATOM 351 NH1 ARG A 24 -3.302 -7.537 -5.875 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.168 -5.738 -7.233 1.00 0.00 N ATOM 0 H ARG A 24 2.778 -5.739 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 24 1.160 -8.000 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.524 -5.642 -3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.097 -6.159 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.657 -7.661 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.761 -8.060 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.664 -6.752 -3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.516 -5.457 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.847 -4.703 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.082 -7.998 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.851 -8.025 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.844 -4.789 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.717 -6.235 -7.934 1.00 0.00 H new ATOM 366 N GLU A 25 3.226 -8.135 -4.865 1.00 0.00 N ATOM 367 CA GLU A 25 3.790 -9.021 -5.881 1.00 0.00 C ATOM 368 C GLU A 25 4.365 -10.275 -5.233 1.00 0.00 C ATOM 369 O GLU A 25 4.171 -11.389 -5.719 1.00 0.00 O ATOM 370 CB GLU A 25 4.897 -8.308 -6.659 1.00 0.00 C ATOM 371 CG GLU A 25 4.273 -7.336 -7.662 1.00 0.00 C ATOM 372 CD GLU A 25 5.193 -7.191 -8.870 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.393 -7.103 -8.668 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.683 -7.170 -9.978 1.00 0.00 O ATOM 0 H GLU A 25 3.719 -7.249 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 25 2.989 -9.301 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.549 -7.769 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.517 -9.037 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.295 -7.700 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.115 -6.365 -7.193 1.00 0.00 H new ATOM 381 N GLN A 26 5.078 -10.081 -4.125 1.00 0.00 N ATOM 382 CA GLN A 26 5.681 -11.204 -3.413 1.00 0.00 C ATOM 383 C GLN A 26 4.599 -12.105 -2.826 1.00 0.00 C ATOM 384 O GLN A 26 4.764 -13.322 -2.738 1.00 0.00 O ATOM 385 CB GLN A 26 6.579 -10.701 -2.281 1.00 0.00 C ATOM 386 CG GLN A 26 7.941 -10.299 -2.849 1.00 0.00 C ATOM 387 CD GLN A 26 8.613 -9.306 -1.907 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.252 -8.129 -1.875 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.578 -9.714 -1.129 1.00 0.00 N ATOM 0 H GLN A 26 5.251 -9.168 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 26 6.280 -11.771 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.114 -9.849 -1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.703 -11.479 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.570 -11.181 -2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.818 -9.854 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.877 -10.689 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.033 -9.058 -0.494 1.00 0.00 H new ATOM 398 N LEU A 27 3.488 -11.492 -2.426 1.00 0.00 N ATOM 399 CA LEU A 27 2.379 -12.245 -1.847 1.00 0.00 C ATOM 400 C LEU A 27 1.817 -13.231 -2.865 1.00 0.00 C ATOM 401 O LEU A 27 1.412 -14.342 -2.519 1.00 0.00 O ATOM 402 CB LEU A 27 1.264 -11.298 -1.401 1.00 0.00 C ATOM 403 CG LEU A 27 1.643 -10.654 -0.067 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.688 -9.497 0.230 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.543 -11.696 1.049 1.00 0.00 C ATOM 0 H LEU A 27 3.332 -10.486 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 27 2.757 -12.791 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.103 -10.528 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.327 -11.845 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 27 2.664 -10.277 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.958 -9.038 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.758 -8.754 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.333 -9.873 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.813 -11.237 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.522 -12.073 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.223 -12.521 0.838 1.00 0.00 H new ATOM 417 N LYS A 28 1.796 -12.814 -4.128 1.00 0.00 N ATOM 418 CA LYS A 28 1.280 -13.666 -5.194 1.00 0.00 C ATOM 419 C LYS A 28 2.232 -14.831 -5.453 1.00 0.00 C ATOM 420 O LYS A 28 1.808 -15.931 -5.807 1.00 0.00 O ATOM 421 CB LYS A 28 1.112 -12.865 -6.488 1.00 0.00 C ATOM 422 CG LYS A 28 -0.049 -13.444 -7.299 1.00 0.00 C ATOM 423 CD LYS A 28 -1.359 -12.797 -6.848 1.00 0.00 C ATOM 424 CE LYS A 28 -1.502 -11.420 -7.501 1.00 0.00 C ATOM 425 NZ LYS A 28 -1.949 -11.582 -8.913 1.00 0.00 N ATOM 0 H LYS A 28 2.127 -11.900 -4.436 1.00 0.00 H new ATOM 0 HA LYS A 28 0.311 -14.050 -4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.921 -11.817 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.031 -12.901 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.111 -13.264 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.099 -14.524 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.203 -13.430 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.373 -12.699 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.222 -10.817 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.550 -10.890 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.446 -10.900 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.740 -12.549 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.973 -11.410 -8.975 1.00 0.00 H new ATOM 439 N HIS A 29 3.524 -14.576 -5.270 1.00 0.00 N ATOM 440 CA HIS A 29 4.533 -15.609 -5.485 1.00 0.00 C ATOM 441 C HIS A 29 4.335 -16.759 -4.503 1.00 0.00 C ATOM 442 O HIS A 29 4.341 -17.928 -4.885 1.00 0.00 O ATOM 443 CB HIS A 29 5.937 -15.033 -5.300 1.00 0.00 C ATOM 444 CG HIS A 29 6.349 -14.301 -6.548 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.463 -14.937 -7.774 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.675 -12.987 -6.775 1.00 0.00 C ATOM 447 CE1 HIS A 29 6.843 -14.013 -8.676 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.986 -12.807 -8.120 1.00 0.00 N ATOM 0 H HIS A 29 3.895 -13.672 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 29 4.424 -15.978 -6.505 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.954 -14.356 -4.446 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.645 -15.834 -5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.688 -12.211 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 29 7.012 -14.221 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.263 -11.941 -8.581 1.00 0.00 H new ATOM 647 N LYS B 9 -4.598 15.768 -2.121 1.00 0.00 N ATOM 648 CA LYS B 9 -3.611 14.778 -2.544 1.00 0.00 C ATOM 649 C LYS B 9 -3.456 13.691 -1.486 1.00 0.00 C ATOM 650 O LYS B 9 -3.210 12.527 -1.802 1.00 0.00 O ATOM 651 CB LYS B 9 -2.252 15.444 -2.776 1.00 0.00 C ATOM 652 CG LYS B 9 -1.301 14.445 -3.437 1.00 0.00 C ATOM 653 CD LYS B 9 -0.359 15.187 -4.387 1.00 0.00 C ATOM 654 CE LYS B 9 0.843 15.717 -3.605 1.00 0.00 C ATOM 655 NZ LYS B 9 1.850 16.268 -4.555 1.00 0.00 N ATOM 0 HA LYS B 9 -3.962 14.331 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.369 16.324 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.836 15.786 -1.828 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.726 13.917 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -1.870 13.694 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.024 14.518 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.886 16.012 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.524 16.491 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.286 14.917 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 2.696 16.567 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.112 15.536 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.446 17.086 -5.054 1.00 0.00 H new ATOM 669 N ASN B 10 -3.605 14.085 -0.224 1.00 0.00 N ATOM 670 CA ASN B 10 -3.481 13.136 0.879 1.00 0.00 C ATOM 671 C ASN B 10 -4.661 12.170 0.884 1.00 0.00 C ATOM 672 O ASN B 10 -4.526 11.001 1.245 1.00 0.00 O ATOM 673 CB ASN B 10 -3.435 13.873 2.219 1.00 0.00 C ATOM 674 CG ASN B 10 -2.022 14.386 2.470 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.052 13.835 1.948 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.844 15.420 3.247 1.00 0.00 N ATOM 0 H ASN B 10 -3.809 15.044 0.059 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.554 12.579 0.741 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.139 14.705 2.213 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.739 13.204 3.024 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.902 15.771 3.421 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.647 15.877 3.680 1.00 0.00 H new ATOM 683 N ASP B 11 -5.823 12.673 0.479 1.00 0.00 N ATOM 684 CA ASP B 11 -7.028 11.849 0.439 1.00 0.00 C ATOM 685 C ASP B 11 -6.856 10.704 -0.553 1.00 0.00 C ATOM 686 O ASP B 11 -7.062 9.538 -0.222 1.00 0.00 O ATOM 687 CB ASP B 11 -8.239 12.687 0.028 1.00 0.00 C ATOM 688 CG ASP B 11 -8.885 13.295 1.268 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.153 13.653 2.176 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.100 13.393 1.292 1.00 0.00 O ATOM 0 H ASP B 11 -5.957 13.638 0.176 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.191 11.444 1.438 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.932 13.476 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.960 12.066 -0.503 1.00 0.00 H new ATOM 695 N THR B 12 -6.474 11.054 -1.779 1.00 0.00 N ATOM 696 CA THR B 12 -6.273 10.049 -2.820 1.00 0.00 C ATOM 697 C THR B 12 -5.166 9.079 -2.422 1.00 0.00 C ATOM 698 O THR B 12 -5.203 7.896 -2.761 1.00 0.00 O ATOM 699 CB THR B 12 -5.903 10.717 -4.149 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.641 9.716 -5.122 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.658 11.590 -3.964 1.00 0.00 C ATOM 0 H THR B 12 -6.299 12.015 -2.074 1.00 0.00 H new ATOM 0 HA THR B 12 -7.207 9.500 -2.940 1.00 0.00 H new ATOM 0 HB THR B 12 -6.732 11.343 -4.481 1.00 0.00 H new ATOM 0 HG1 THR B 12 -5.406 10.141 -5.973 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.400 12.062 -4.912 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.861 12.359 -3.219 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.826 10.971 -3.629 1.00 0.00 H new ATOM 709 N HIS B 13 -4.179 9.596 -1.697 1.00 0.00 N ATOM 710 CA HIS B 13 -3.059 8.770 -1.252 1.00 0.00 C ATOM 711 C HIS B 13 -3.548 7.660 -0.328 1.00 0.00 C ATOM 712 O HIS B 13 -3.123 6.509 -0.433 1.00 0.00 O ATOM 713 CB HIS B 13 -2.028 9.621 -0.507 1.00 0.00 C ATOM 714 CG HIS B 13 -1.066 10.224 -1.493 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.632 11.513 -1.679 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 -0.419 9.463 -2.454 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 0.271 11.554 -2.737 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 0.364 10.292 -3.167 1.00 0.00 N flip ATOM 0 H HIS B 13 -4.130 10.573 -1.407 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.596 8.329 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.529 10.408 0.056 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.488 9.008 0.215 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.524 8.399 -2.603 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.786 12.420 -3.127 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.957 9.994 -3.942 1.00 0.00 H new ATOM 726 N GLN B 14 -4.447 8.022 0.580 1.00 0.00 N ATOM 727 CA GLN B 14 -4.995 7.054 1.527 1.00 0.00 C ATOM 728 C GLN B 14 -5.862 6.029 0.801 1.00 0.00 C ATOM 729 O GLN B 14 -5.933 4.866 1.197 1.00 0.00 O ATOM 730 CB GLN B 14 -5.841 7.762 2.587 1.00 0.00 C ATOM 731 CG GLN B 14 -5.800 6.961 3.891 1.00 0.00 C ATOM 732 CD GLN B 14 -5.862 7.917 5.077 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.706 8.812 5.119 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.007 7.779 6.055 1.00 0.00 N ATOM 0 H GLN B 14 -4.810 8.970 0.682 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.160 6.546 2.010 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.463 8.771 2.755 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.870 7.861 2.240 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.637 6.264 3.928 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.887 6.367 3.937 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.308 7.037 6.020 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.039 8.413 6.853 1.00 0.00 H new ATOM 743 N GLN B 15 -6.520 6.476 -0.265 1.00 0.00 N ATOM 744 CA GLN B 15 -7.384 5.589 -1.041 1.00 0.00 C ATOM 745 C GLN B 15 -6.573 4.444 -1.637 1.00 0.00 C ATOM 746 O GLN B 15 -6.890 3.271 -1.438 1.00 0.00 O ATOM 747 CB GLN B 15 -8.064 6.361 -2.175 1.00 0.00 C ATOM 748 CG GLN B 15 -9.347 5.637 -2.587 1.00 0.00 C ATOM 749 CD GLN B 15 -10.070 6.452 -3.655 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.174 7.674 -3.548 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.581 5.842 -4.689 1.00 0.00 N ATOM 0 H GLN B 15 -6.474 7.435 -0.609 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.143 5.187 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.294 7.376 -1.851 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.390 6.444 -3.028 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.110 4.644 -2.970 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.993 5.498 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.495 4.830 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.067 6.378 -5.409 1.00 0.00 H new ATOM 760 N ASP B 16 -5.517 4.796 -2.367 1.00 0.00 N ATOM 761 CA ASP B 16 -4.660 3.789 -2.986 1.00 0.00 C ATOM 762 C ASP B 16 -4.015 2.918 -1.912 1.00 0.00 C ATOM 763 O ASP B 16 -3.887 1.704 -2.068 1.00 0.00 O ATOM 764 CB ASP B 16 -3.561 4.453 -3.816 1.00 0.00 C ATOM 765 CG ASP B 16 -3.159 3.532 -4.962 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.089 2.335 -4.737 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.930 4.036 -6.050 1.00 0.00 O ATOM 0 H ASP B 16 -5.236 5.761 -2.543 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.278 3.172 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.914 5.406 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.696 4.668 -3.188 1.00 0.00 H new ATOM 772 N ILE B 17 -3.616 3.557 -0.817 1.00 0.00 N ATOM 773 CA ILE B 17 -2.989 2.841 0.292 1.00 0.00 C ATOM 774 C ILE B 17 -3.967 1.820 0.873 1.00 0.00 C ATOM 775 O ILE B 17 -3.814 0.612 0.693 1.00 0.00 O ATOM 776 CB ILE B 17 -2.560 3.845 1.393 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.240 4.522 0.987 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.382 3.148 2.759 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.124 3.480 0.846 1.00 0.00 C ATOM 0 H ILE B 17 -3.714 4.562 -0.673 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.107 2.318 -0.077 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.349 4.591 1.494 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.372 5.053 0.044 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.960 5.265 1.734 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.081 3.883 3.506 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.324 2.690 3.059 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.614 2.378 2.677 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.803 3.976 0.558 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.019 2.969 1.798 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.399 2.753 0.081 1.00 0.00 H new ATOM 791 N ASP B 18 -4.955 2.334 1.603 1.00 0.00 N ATOM 792 CA ASP B 18 -5.951 1.488 2.259 1.00 0.00 C ATOM 793 C ASP B 18 -6.476 0.395 1.320 1.00 0.00 C ATOM 794 O ASP B 18 -6.856 -0.691 1.760 1.00 0.00 O ATOM 795 CB ASP B 18 -7.129 2.343 2.745 1.00 0.00 C ATOM 796 CG ASP B 18 -6.953 2.673 4.225 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.059 3.442 4.537 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.713 2.150 5.022 1.00 0.00 O ATOM 0 H ASP B 18 -5.088 3.334 1.755 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.463 1.006 3.106 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.187 3.262 2.163 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.066 1.808 2.591 1.00 0.00 H new ATOM 803 N ASP B 19 -6.489 0.695 0.024 1.00 0.00 N ATOM 804 CA ASP B 19 -6.964 -0.269 -0.965 1.00 0.00 C ATOM 805 C ASP B 19 -5.931 -1.373 -1.166 1.00 0.00 C ATOM 806 O ASP B 19 -6.276 -2.546 -1.315 1.00 0.00 O ATOM 807 CB ASP B 19 -7.224 0.422 -2.306 1.00 0.00 C ATOM 808 CG ASP B 19 -8.000 -0.520 -3.221 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.452 -1.549 -3.579 1.00 0.00 O ATOM 810 OD2 ASP B 19 -9.129 -0.197 -3.550 1.00 0.00 O ATOM 0 H ASP B 19 -6.180 1.587 -0.363 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.894 -0.702 -0.596 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.788 1.342 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.279 0.703 -2.772 1.00 0.00 H new ATOM 815 N LEU B 20 -4.659 -0.983 -1.167 1.00 0.00 N ATOM 816 CA LEU B 20 -3.576 -1.944 -1.348 1.00 0.00 C ATOM 817 C LEU B 20 -3.494 -2.887 -0.151 1.00 0.00 C ATOM 818 O LEU B 20 -3.356 -4.099 -0.305 1.00 0.00 O ATOM 819 CB LEU B 20 -2.237 -1.220 -1.501 1.00 0.00 C ATOM 820 CG LEU B 20 -2.158 -0.575 -2.885 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.055 0.485 -2.894 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.843 -1.647 -3.930 1.00 0.00 C ATOM 0 H LEU B 20 -4.355 -0.017 -1.046 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.785 -2.518 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.133 -0.459 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.415 -1.923 -1.369 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.113 -0.106 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.000 0.944 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.279 1.250 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.099 0.018 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.787 -1.188 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.888 -2.117 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.629 -2.402 -3.926 1.00 0.00 H new ATOM 834 N LYS B 21 -3.581 -2.312 1.045 1.00 0.00 N ATOM 835 CA LYS B 21 -3.516 -3.105 2.270 1.00 0.00 C ATOM 836 C LYS B 21 -4.669 -4.102 2.325 1.00 0.00 C ATOM 837 O LYS B 21 -4.526 -5.212 2.836 1.00 0.00 O ATOM 838 CB LYS B 21 -3.583 -2.197 3.499 1.00 0.00 C ATOM 839 CG LYS B 21 -2.218 -1.545 3.728 1.00 0.00 C ATOM 840 CD LYS B 21 -2.175 -0.923 5.125 1.00 0.00 C ATOM 841 CE LYS B 21 -0.758 -1.033 5.690 1.00 0.00 C ATOM 842 NZ LYS B 21 0.053 0.126 5.225 1.00 0.00 N ATOM 0 H LYS B 21 -3.696 -1.309 1.193 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.570 -3.646 2.269 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.345 -1.430 3.357 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.873 -2.775 4.376 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.427 -2.288 3.625 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.038 -0.780 2.973 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.479 0.123 5.078 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.880 -1.431 5.783 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.790 -1.054 6.779 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.297 -1.966 5.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.063 -0.076 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.124 0.290 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -0.213 0.974 5.765 1.00 0.00 H new ATOM 856 N ARG B 22 -5.817 -3.691 1.792 1.00 0.00 N ATOM 857 CA ARG B 22 -6.993 -4.556 1.785 1.00 0.00 C ATOM 858 C ARG B 22 -6.727 -5.810 0.958 1.00 0.00 C ATOM 859 O ARG B 22 -7.086 -6.920 1.351 1.00 0.00 O ATOM 860 CB ARG B 22 -8.198 -3.818 1.198 1.00 0.00 C ATOM 861 CG ARG B 22 -9.488 -4.497 1.663 1.00 0.00 C ATOM 862 CD ARG B 22 -10.673 -3.942 0.868 1.00 0.00 C ATOM 863 NE ARG B 22 -11.921 -4.579 1.293 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.494 -4.308 2.475 1.00 0.00 C ATOM 865 NH1 ARG B 22 -11.957 -3.453 3.311 1.00 0.00 N ATOM 866 NH2 ARG B 22 -13.607 -4.907 2.798 1.00 0.00 N ATOM 0 H ARG B 22 -5.957 -2.776 1.364 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.208 -4.839 2.815 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.189 -2.775 1.515 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.145 -3.821 0.109 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.415 -5.575 1.522 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.639 -4.324 2.729 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.741 -2.864 1.012 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.515 -4.112 -0.197 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.369 -5.251 0.670 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.087 -2.979 3.068 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.409 -3.261 4.205 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.033 -5.574 2.154 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.051 -4.709 3.694 1.00 0.00 H new ATOM 880 N GLN B 23 -6.091 -5.620 -0.195 1.00 0.00 N ATOM 881 CA GLN B 23 -5.779 -6.743 -1.075 1.00 0.00 C ATOM 882 C GLN B 23 -4.707 -7.631 -0.448 1.00 0.00 C ATOM 883 O GLN B 23 -4.826 -8.856 -0.436 1.00 0.00 O ATOM 884 CB GLN B 23 -5.276 -6.238 -2.429 1.00 0.00 C ATOM 885 CG GLN B 23 -6.468 -5.968 -3.350 1.00 0.00 C ATOM 886 CD GLN B 23 -7.105 -7.292 -3.758 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.313 -7.477 -3.619 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.355 -8.234 -4.262 1.00 0.00 N ATOM 0 H GLN B 23 -5.784 -4.710 -0.539 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.692 -7.321 -1.218 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.693 -5.327 -2.295 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.614 -6.977 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.200 -5.342 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.141 -5.421 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.353 -8.081 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.771 -9.123 -4.540 1.00 0.00 H new ATOM 897 N ASN B 24 -3.661 -6.996 0.072 1.00 0.00 N ATOM 898 CA ASN B 24 -2.569 -7.736 0.701 1.00 0.00 C ATOM 899 C ASN B 24 -3.045 -8.399 1.990 1.00 0.00 C ATOM 900 O ASN B 24 -2.569 -9.471 2.366 1.00 0.00 O ATOM 901 CB ASN B 24 -1.402 -6.798 1.023 1.00 0.00 C ATOM 902 CG ASN B 24 -0.526 -6.612 -0.215 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.825 -7.136 -1.289 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.554 -5.883 -0.127 1.00 0.00 N ATOM 0 H ASN B 24 -3.545 -5.983 0.072 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.236 -8.503 0.001 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.782 -5.833 1.358 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.809 -7.209 1.840 1.00 0.00 H new ATOM 0 HD21 ASN B 24 1.147 -5.749 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.805 -5.448 0.761 1.00 0.00 H new ATOM 911 N ALA B 25 -3.987 -7.747 2.666 1.00 0.00 N ATOM 912 CA ALA B 25 -4.521 -8.279 3.918 1.00 0.00 C ATOM 913 C ALA B 25 -5.186 -9.633 3.682 1.00 0.00 C ATOM 914 O ALA B 25 -5.015 -10.568 4.463 1.00 0.00 O ATOM 915 CB ALA B 25 -5.550 -7.315 4.512 1.00 0.00 C ATOM 0 H ALA B 25 -4.393 -6.859 2.373 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.691 -8.399 4.614 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.938 -7.726 5.444 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.076 -6.353 4.709 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.370 -7.178 3.807 1.00 0.00 H new ATOM 921 N LEU B 26 -5.948 -9.723 2.595 1.00 0.00 N ATOM 922 CA LEU B 26 -6.638 -10.967 2.263 1.00 0.00 C ATOM 923 C LEU B 26 -5.636 -12.030 1.822 1.00 0.00 C ATOM 924 O LEU B 26 -5.744 -13.198 2.198 1.00 0.00 O ATOM 925 CB LEU B 26 -7.645 -10.736 1.137 1.00 0.00 C ATOM 926 CG LEU B 26 -8.537 -11.970 0.989 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.559 -12.000 2.127 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.271 -11.909 -0.352 1.00 0.00 C ATOM 0 H LEU B 26 -6.103 -8.960 1.936 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.163 -11.309 3.155 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.254 -9.858 1.354 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.122 -10.538 0.202 1.00 0.00 H new ATOM 0 HG LEU B 26 -7.923 -12.870 1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.195 -12.879 2.022 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.038 -12.041 3.083 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.174 -11.101 2.088 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.907 -12.788 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.885 -11.009 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.544 -11.886 -1.164 1.00 0.00 H new ATOM 940 N LEU B 27 -4.661 -11.612 1.021 1.00 0.00 N ATOM 941 CA LEU B 27 -3.642 -12.536 0.531 1.00 0.00 C ATOM 942 C LEU B 27 -2.788 -13.049 1.687 1.00 0.00 C ATOM 943 O LEU B 27 -2.643 -14.255 1.881 1.00 0.00 O ATOM 944 CB LEU B 27 -2.737 -11.843 -0.489 1.00 0.00 C ATOM 945 CG LEU B 27 -3.581 -11.330 -1.657 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.813 -10.237 -2.402 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.879 -12.486 -2.614 1.00 0.00 C ATOM 0 H LEU B 27 -4.554 -10.650 0.700 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.149 -13.375 0.054 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.208 -11.015 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.981 -12.539 -0.852 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.517 -10.920 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.415 -9.872 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.599 -9.414 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.877 -10.645 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.480 -12.123 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.943 -12.895 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.427 -13.265 -2.084 1.00 0.00 H new ATOM 959 N GLU B 28 -2.225 -12.116 2.450 1.00 0.00 N ATOM 960 CA GLU B 28 -1.381 -12.477 3.590 1.00 0.00 C ATOM 961 C GLU B 28 -2.159 -13.334 4.587 1.00 0.00 C ATOM 962 O GLU B 28 -1.657 -14.338 5.091 1.00 0.00 O ATOM 963 CB GLU B 28 -0.881 -11.215 4.298 1.00 0.00 C ATOM 964 CG GLU B 28 0.132 -11.596 5.382 1.00 0.00 C ATOM 965 CD GLU B 28 1.547 -11.459 4.832 1.00 0.00 C ATOM 966 OE1 GLU B 28 2.016 -10.338 4.730 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.141 -12.478 4.520 1.00 0.00 O ATOM 0 H GLU B 28 -2.335 -11.113 2.303 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.532 -13.047 3.214 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.419 -10.541 3.577 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.720 -10.680 4.743 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.006 -10.953 6.253 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.043 -12.620 5.713 1.00 0.00 H new ATOM 974 N GLN B 29 -3.395 -12.921 4.868 1.00 0.00 N ATOM 975 CA GLN B 29 -4.247 -13.653 5.809 1.00 0.00 C ATOM 976 C GLN B 29 -4.365 -15.123 5.407 1.00 0.00 C ATOM 977 O GLN B 29 -4.486 -16.007 6.254 1.00 0.00 O ATOM 978 CB GLN B 29 -5.648 -13.037 5.852 1.00 0.00 C ATOM 979 CG GLN B 29 -5.668 -11.888 6.862 1.00 0.00 C ATOM 980 CD GLN B 29 -5.960 -12.436 8.253 1.00 0.00 C ATOM 981 OE1 GLN B 29 -6.775 -13.345 8.411 1.00 0.00 O ATOM 982 NE2 GLN B 29 -5.335 -11.935 9.284 1.00 0.00 N ATOM 0 H GLN B 29 -3.827 -12.091 4.462 1.00 0.00 H new ATOM 0 HA GLN B 29 -3.786 -13.586 6.794 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.927 -12.672 4.864 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.381 -13.794 6.131 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -4.709 -11.370 6.858 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.426 -11.157 6.581 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.659 -11.182 9.154 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -5.522 -12.297 10.219 1.00 0.00 H new ATOM 991 N GLN B 30 -4.319 -15.370 4.102 1.00 0.00 N ATOM 992 CA GLN B 30 -4.410 -16.734 3.590 1.00 0.00 C ATOM 993 C GLN B 30 -3.031 -17.388 3.596 1.00 0.00 C ATOM 994 O GLN B 30 -2.897 -18.593 3.813 1.00 0.00 O ATOM 995 CB GLN B 30 -4.958 -16.739 2.162 1.00 0.00 C ATOM 996 CG GLN B 30 -6.484 -16.847 2.201 1.00 0.00 C ATOM 997 CD GLN B 30 -6.892 -18.315 2.201 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.935 -18.953 1.149 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.198 -18.896 3.328 1.00 0.00 N ATOM 0 H GLN B 30 -4.220 -14.651 3.385 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.087 -17.294 4.235 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.661 -15.827 1.644 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.538 -17.575 1.603 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.871 -16.351 3.091 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.917 -16.339 1.339 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.163 -18.368 4.200 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -7.473 -19.878 3.337 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.006 -16.574 3.359 1.00 0.00 N ATOM 1009 CA VAL B 31 -0.633 -17.069 3.340 1.00 0.00 C ATOM 1010 C VAL B 31 -0.182 -17.427 4.755 1.00 0.00 C ATOM 1011 O VAL B 31 0.598 -18.357 4.957 1.00 0.00 O ATOM 1012 CB VAL B 31 0.306 -16.004 2.760 1.00 0.00 C ATOM 1013 CG1 VAL B 31 1.724 -16.569 2.638 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.196 -15.578 1.373 1.00 0.00 C ATOM 0 H VAL B 31 -2.099 -15.574 3.178 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.596 -17.961 2.714 1.00 0.00 H new ATOM 0 HB VAL B 31 0.320 -15.140 3.425 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.385 -15.807 2.225 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.083 -16.866 3.623 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.714 -17.437 1.978 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.472 -14.821 0.961 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.215 -16.444 0.711 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.201 -15.166 1.461 1.00 0.00 H new ATOM 1024 N ARG B 32 -0.684 -16.674 5.730 1.00 0.00 N ATOM 1025 CA ARG B 32 -0.327 -16.919 7.127 1.00 0.00 C ATOM 1026 C ARG B 32 -0.773 -18.312 7.556 1.00 0.00 C ATOM 1027 O ARG B 32 -0.041 -19.033 8.234 1.00 0.00 O ATOM 1028 CB ARG B 32 -0.989 -15.882 8.035 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.090 -15.613 9.245 1.00 0.00 C ATOM 1030 CD ARG B 32 0.797 -14.398 8.962 1.00 0.00 C ATOM 1031 NE ARG B 32 1.980 -14.410 9.827 1.00 0.00 N ATOM 1032 CZ ARG B 32 1.908 -14.144 11.138 1.00 0.00 C ATOM 1033 NH1 ARG B 32 0.762 -13.859 11.713 1.00 0.00 N ATOM 1034 NH2 ARG B 32 2.995 -14.168 11.858 1.00 0.00 N ATOM 0 H ARG B 32 -1.331 -15.899 5.584 1.00 0.00 H new ATOM 0 HA ARG B 32 0.757 -16.843 7.216 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.161 -14.957 7.484 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -1.963 -16.242 8.366 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.699 -15.434 10.131 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.527 -16.487 9.454 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.104 -14.401 7.916 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.230 -13.481 9.125 1.00 0.00 H new ATOM 0 HE ARG B 32 2.888 -14.628 9.417 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.095 -13.837 11.160 1.00 0.00 H new ATOM 0 HH12 ARG B 32 0.729 -13.659 12.713 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.891 -14.388 11.422 1.00 0.00 H new ATOM 0 HH22 ARG B 32 2.950 -13.967 12.857 1.00 0.00 H new ATOM 1048 N ALA B 33 -1.984 -18.684 7.151 1.00 0.00 N ATOM 1049 CA ALA B 33 -2.524 -19.996 7.497 1.00 0.00 C ATOM 1050 C ALA B 33 -1.669 -21.102 6.888 1.00 0.00 C ATOM 1051 O ALA B 33 -1.124 -21.947 7.596 1.00 0.00 O ATOM 1052 CB ALA B 33 -3.959 -20.136 6.987 1.00 0.00 C ATOM 0 H ALA B 33 -2.605 -18.102 6.588 1.00 0.00 H new ATOM 0 HA ALA B 33 -2.515 -20.087 8.583 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -4.346 -21.120 7.254 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.583 -19.366 7.440 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -3.973 -20.022 5.903 1.00 0.00 H new ATOM 1058 N LEU B 34 -1.557 -21.084 5.563 1.00 0.00 N ATOM 1059 CA LEU B 34 -0.764 -22.090 4.861 1.00 0.00 C ATOM 1060 C LEU B 34 0.701 -21.994 5.275 1.00 0.00 C ATOM 1061 O LEU B 34 1.490 -21.289 4.646 1.00 0.00 O ATOM 1062 CB LEU B 34 -0.868 -21.892 3.343 1.00 0.00 C ATOM 1063 CG LEU B 34 -2.062 -22.676 2.774 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -1.871 -24.175 3.027 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.361 -22.208 3.441 1.00 0.00 C ATOM 0 H LEU B 34 -2.000 -20.392 4.958 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.154 -23.073 5.126 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.981 -20.832 3.116 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.053 -22.224 2.864 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.122 -22.495 1.701 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.721 -24.724 2.621 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -0.956 -24.512 2.541 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.800 -24.357 4.099 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.202 -22.768 3.032 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.300 -22.378 4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.506 -21.145 3.249 1.00 0.00 H new