USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=6 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 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -82:sc= 0.1 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= -0.303 (180deg=-0.363) USER MOD Single : A 26 GLN : amide:sc= -0.0542 X(o=-0.054,f=-0.46) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -1.22 (180deg=-2.04) USER MOD Single : A 29 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-3.9!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.4!) USER MOD Single : B 12 THR OG1 : rot -26:sc= 0.807 USER MOD Single : B 13 HIS :FLIP no HD1:sc= -1.91 F(o=-3.2,f=-1.9) USER MOD Single : B 14 GLN :FLIP amide:sc= -0.12 F(o=-1.3,f=-0.12) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.1) USER MOD Single : B 24 ASN : amide:sc= -4.5 K(o=-4.5,f=-13!) USER MOD Single : B 29 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.6!) USER MOD Single : B 30 GLN : amide:sc= -0.307 K(o=-0.31,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.272 18.399 1.753 1.00 0.00 N ATOM 48 CA GLN A 7 5.441 17.810 1.106 1.00 0.00 C ATOM 49 C GLN A 7 6.120 16.807 2.036 1.00 0.00 C ATOM 50 O GLN A 7 6.691 15.813 1.589 1.00 0.00 O ATOM 51 CB GLN A 7 6.449 18.898 0.729 1.00 0.00 C ATOM 52 CG GLN A 7 5.952 19.647 -0.509 1.00 0.00 C ATOM 53 CD GLN A 7 6.671 20.988 -0.615 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.865 21.036 -0.913 1.00 0.00 O ATOM 55 NE2 GLN A 7 6.011 22.090 -0.387 1.00 0.00 N ATOM 0 HA GLN A 7 5.102 17.298 0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.579 19.592 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.424 18.453 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.135 19.053 -1.404 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.875 19.804 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.022 22.050 -0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.484 22.991 -0.456 1.00 0.00 H new ATOM 64 N ALA A 8 6.050 17.082 3.336 1.00 0.00 N ATOM 65 CA ALA A 8 6.661 16.198 4.325 1.00 0.00 C ATOM 66 C ALA A 8 5.726 15.041 4.657 1.00 0.00 C ATOM 67 O ALA A 8 6.122 13.876 4.634 1.00 0.00 O ATOM 68 CB ALA A 8 6.976 16.968 5.608 1.00 0.00 C ATOM 0 H ALA A 8 5.582 17.900 3.726 1.00 0.00 H new ATOM 0 HA ALA A 8 7.585 15.807 3.900 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.431 16.294 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.667 17.781 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.055 17.379 6.021 1.00 0.00 H new ATOM 74 N GLU A 9 4.475 15.375 4.968 1.00 0.00 N ATOM 75 CA GLU A 9 3.486 14.356 5.308 1.00 0.00 C ATOM 76 C GLU A 9 3.262 13.416 4.127 1.00 0.00 C ATOM 77 O GLU A 9 3.071 12.212 4.300 1.00 0.00 O ATOM 78 CB GLU A 9 2.153 15.007 5.684 1.00 0.00 C ATOM 79 CG GLU A 9 1.362 14.063 6.591 1.00 0.00 C ATOM 80 CD GLU A 9 -0.088 14.528 6.668 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.301 15.702 6.921 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.965 13.703 6.473 1.00 0.00 O ATOM 0 H GLU A 9 4.125 16.333 4.991 1.00 0.00 H new ATOM 0 HA GLU A 9 3.866 13.789 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.330 15.954 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.579 15.231 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.409 13.045 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.803 14.045 7.588 1.00 0.00 H new ATOM 89 N GLU A 10 3.286 13.980 2.922 1.00 0.00 N ATOM 90 CA GLU A 10 3.085 13.185 1.716 1.00 0.00 C ATOM 91 C GLU A 10 4.286 12.279 1.465 1.00 0.00 C ATOM 92 O GLU A 10 4.151 11.173 0.943 1.00 0.00 O ATOM 93 CB GLU A 10 2.887 14.096 0.502 1.00 0.00 C ATOM 94 CG GLU A 10 2.377 13.266 -0.680 1.00 0.00 C ATOM 95 CD GLU A 10 1.762 14.193 -1.724 1.00 0.00 C ATOM 96 OE1 GLU A 10 0.807 14.876 -1.393 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.256 14.207 -2.840 1.00 0.00 O ATOM 0 H GLU A 10 3.441 14.974 2.756 1.00 0.00 H new ATOM 0 HA GLU A 10 2.194 12.574 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.175 14.887 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.827 14.581 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.197 12.698 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.636 12.543 -0.338 1.00 0.00 H new ATOM 104 N GLN A 11 5.466 12.763 1.845 1.00 0.00 N ATOM 105 CA GLN A 11 6.692 11.989 1.658 1.00 0.00 C ATOM 106 C GLN A 11 6.630 10.690 2.455 1.00 0.00 C ATOM 107 O GLN A 11 7.173 9.666 2.042 1.00 0.00 O ATOM 108 CB GLN A 11 7.908 12.797 2.113 1.00 0.00 C ATOM 109 CG GLN A 11 9.189 12.064 1.705 1.00 0.00 C ATOM 110 CD GLN A 11 10.402 12.855 2.184 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.823 13.812 1.533 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.995 12.508 3.293 1.00 0.00 N ATOM 0 H GLN A 11 5.600 13.676 2.279 1.00 0.00 H new ATOM 0 HA GLN A 11 6.786 11.758 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.886 13.790 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.883 12.934 3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.201 11.063 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.223 11.945 0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.646 11.715 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.808 13.029 3.621 1.00 0.00 H new ATOM 121 N LYS A 12 5.962 10.745 3.604 1.00 0.00 N ATOM 122 CA LYS A 12 5.832 9.567 4.456 1.00 0.00 C ATOM 123 C LYS A 12 4.809 8.596 3.874 1.00 0.00 C ATOM 124 O LYS A 12 4.978 7.379 3.939 1.00 0.00 O ATOM 125 CB LYS A 12 5.392 9.969 5.864 1.00 0.00 C ATOM 126 CG LYS A 12 5.837 8.903 6.865 1.00 0.00 C ATOM 127 CD LYS A 12 5.542 9.382 8.287 1.00 0.00 C ATOM 128 CE LYS A 12 6.035 8.339 9.291 1.00 0.00 C ATOM 129 NZ LYS A 12 5.756 8.813 10.676 1.00 0.00 N ATOM 0 H LYS A 12 5.507 11.584 3.964 1.00 0.00 H new ATOM 0 HA LYS A 12 6.806 9.081 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.824 10.934 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.309 10.085 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.315 7.966 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.903 8.704 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.033 10.338 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.472 9.545 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.538 7.385 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.104 8.170 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.091 8.104 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.250 9.713 10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.732 8.953 10.796 1.00 0.00 H new ATOM 143 N LEU A 13 3.744 9.152 3.305 1.00 0.00 N ATOM 144 CA LEU A 13 2.693 8.329 2.712 1.00 0.00 C ATOM 145 C LEU A 13 3.241 7.527 1.535 1.00 0.00 C ATOM 146 O LEU A 13 2.925 6.349 1.368 1.00 0.00 O ATOM 147 CB LEU A 13 1.541 9.207 2.220 1.00 0.00 C ATOM 148 CG LEU A 13 0.664 9.611 3.407 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.327 10.690 2.965 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.108 8.389 3.910 1.00 0.00 C ATOM 0 H LEU A 13 3.585 10.158 3.241 1.00 0.00 H new ATOM 0 HA LEU A 13 2.329 7.646 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.933 10.095 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.947 8.667 1.483 1.00 0.00 H new ATOM 0 HG LEU A 13 1.294 10.000 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.952 10.978 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.220 11.561 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.956 10.300 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.733 8.676 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.737 8.001 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.596 7.618 4.224 1.00 0.00 H new ATOM 162 N ILE A 14 4.067 8.179 0.723 1.00 0.00 N ATOM 163 CA ILE A 14 4.657 7.522 -0.438 1.00 0.00 C ATOM 164 C ILE A 14 5.576 6.385 0.003 1.00 0.00 C ATOM 165 O ILE A 14 5.452 5.252 -0.465 1.00 0.00 O ATOM 166 CB ILE A 14 5.461 8.528 -1.270 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.552 9.690 -1.676 1.00 0.00 C ATOM 168 CG2 ILE A 14 6.006 7.847 -2.531 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.402 10.934 -1.944 1.00 0.00 C ATOM 0 H ILE A 14 4.341 9.154 0.846 1.00 0.00 H new ATOM 0 HA ILE A 14 3.848 7.116 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 14 6.295 8.900 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.983 9.426 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.829 9.894 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.576 8.568 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.654 7.018 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.176 7.470 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.754 11.762 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.951 11.201 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.107 10.726 -2.749 1.00 0.00 H new ATOM 181 N SER A 15 6.504 6.701 0.900 1.00 0.00 N ATOM 182 CA SER A 15 7.448 5.701 1.394 1.00 0.00 C ATOM 183 C SER A 15 6.711 4.535 2.048 1.00 0.00 C ATOM 184 O SER A 15 7.087 3.375 1.884 1.00 0.00 O ATOM 185 CB SER A 15 8.402 6.321 2.413 1.00 0.00 C ATOM 186 OG SER A 15 7.652 7.042 3.380 1.00 0.00 O ATOM 0 H SER A 15 6.624 7.633 1.298 1.00 0.00 H new ATOM 0 HA SER A 15 8.016 5.333 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.990 5.542 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.106 6.986 1.912 1.00 0.00 H new ATOM 0 HG SER A 15 7.428 7.928 3.026 1.00 0.00 H new ATOM 192 N GLU A 16 5.654 4.858 2.789 1.00 0.00 N ATOM 193 CA GLU A 16 4.867 3.830 3.462 1.00 0.00 C ATOM 194 C GLU A 16 4.072 3.019 2.444 1.00 0.00 C ATOM 195 O GLU A 16 4.112 1.789 2.439 1.00 0.00 O ATOM 196 CB GLU A 16 3.899 4.463 4.463 1.00 0.00 C ATOM 197 CG GLU A 16 3.482 3.419 5.500 1.00 0.00 C ATOM 198 CD GLU A 16 4.532 3.350 6.603 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.570 2.754 6.369 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.282 3.893 7.667 1.00 0.00 O ATOM 0 H GLU A 16 5.326 5.812 2.937 1.00 0.00 H new ATOM 0 HA GLU A 16 5.556 3.173 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.373 5.312 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.021 4.846 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.512 3.679 5.923 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.373 2.444 5.026 1.00 0.00 H new ATOM 207 N GLU A 17 3.350 3.727 1.579 1.00 0.00 N ATOM 208 CA GLU A 17 2.545 3.067 0.555 1.00 0.00 C ATOM 209 C GLU A 17 3.438 2.263 -0.386 1.00 0.00 C ATOM 210 O GLU A 17 3.055 1.200 -0.872 1.00 0.00 O ATOM 211 CB GLU A 17 1.764 4.099 -0.261 1.00 0.00 C ATOM 212 CG GLU A 17 0.764 3.381 -1.170 1.00 0.00 C ATOM 213 CD GLU A 17 0.536 4.208 -2.430 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.491 4.414 -3.160 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.590 4.625 -2.646 1.00 0.00 O ATOM 0 H GLU A 17 3.306 4.746 1.566 1.00 0.00 H new ATOM 0 HA GLU A 17 1.846 2.397 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.239 4.784 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.449 4.699 -0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.141 2.393 -1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.179 3.232 -0.644 1.00 0.00 H new ATOM 222 N ASP A 18 4.637 2.786 -0.634 1.00 0.00 N ATOM 223 CA ASP A 18 5.586 2.113 -1.518 1.00 0.00 C ATOM 224 C ASP A 18 5.936 0.730 -0.974 1.00 0.00 C ATOM 225 O ASP A 18 6.080 -0.231 -1.729 1.00 0.00 O ATOM 226 CB ASP A 18 6.870 2.936 -1.650 1.00 0.00 C ATOM 227 CG ASP A 18 7.762 2.329 -2.726 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.186 1.198 -2.546 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.009 3.000 -3.713 1.00 0.00 O ATOM 0 H ASP A 18 4.972 3.665 -0.240 1.00 0.00 H new ATOM 0 HA ASP A 18 5.118 2.010 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.627 3.968 -1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.398 2.959 -0.697 1.00 0.00 H new ATOM 234 N LEU A 19 6.068 0.643 0.346 1.00 0.00 N ATOM 235 CA LEU A 19 6.399 -0.627 0.984 1.00 0.00 C ATOM 236 C LEU A 19 5.260 -1.625 0.802 1.00 0.00 C ATOM 237 O LEU A 19 5.486 -2.820 0.608 1.00 0.00 O ATOM 238 CB LEU A 19 6.651 -0.428 2.480 1.00 0.00 C ATOM 239 CG LEU A 19 7.541 -1.555 3.004 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.353 -1.052 4.200 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.667 -2.732 3.441 1.00 0.00 C ATOM 0 H LEU A 19 5.953 1.427 0.989 1.00 0.00 H new ATOM 0 HA LEU A 19 7.303 -1.014 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.128 0.537 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.704 -0.417 3.020 1.00 0.00 H new ATOM 0 HG LEU A 19 8.220 -1.878 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.987 -1.856 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.976 -0.213 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.675 -0.728 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.300 -3.536 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.988 -2.408 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.089 -3.091 2.590 1.00 0.00 H new ATOM 253 N LEU A 20 4.032 -1.119 0.865 1.00 0.00 N ATOM 254 CA LEU A 20 2.858 -1.970 0.704 1.00 0.00 C ATOM 255 C LEU A 20 2.693 -2.385 -0.755 1.00 0.00 C ATOM 256 O LEU A 20 2.204 -3.475 -1.054 1.00 0.00 O ATOM 257 CB LEU A 20 1.597 -1.234 1.159 1.00 0.00 C ATOM 258 CG LEU A 20 1.408 -1.426 2.665 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.248 -0.555 3.148 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.095 -2.896 2.954 1.00 0.00 C ATOM 0 H LEU A 20 3.825 -0.133 1.025 1.00 0.00 H new ATOM 0 HA LEU A 20 3.001 -2.859 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.678 -0.173 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.728 -1.613 0.622 1.00 0.00 H new ATOM 0 HG LEU A 20 2.321 -1.138 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.113 -0.691 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.468 0.492 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.665 -0.844 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.960 -3.035 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.182 -3.183 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.920 -3.518 2.608 1.00 0.00 H new ATOM 272 N ARG A 21 3.110 -1.504 -1.662 1.00 0.00 N ATOM 273 CA ARG A 21 3.003 -1.791 -3.091 1.00 0.00 C ATOM 274 C ARG A 21 3.835 -3.018 -3.453 1.00 0.00 C ATOM 275 O ARG A 21 3.347 -3.950 -4.091 1.00 0.00 O ATOM 276 CB ARG A 21 3.491 -0.600 -3.919 1.00 0.00 C ATOM 277 CG ARG A 21 2.404 0.480 -3.948 1.00 0.00 C ATOM 278 CD ARG A 21 2.724 1.525 -5.024 1.00 0.00 C ATOM 279 NE ARG A 21 4.120 1.971 -4.926 1.00 0.00 N ATOM 280 CZ ARG A 21 5.110 1.421 -5.647 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.889 0.436 -6.486 1.00 0.00 N ATOM 282 NH2 ARG A 21 6.325 1.877 -5.509 1.00 0.00 N ATOM 0 H ARG A 21 3.520 -0.597 -1.438 1.00 0.00 H new ATOM 0 HA ARG A 21 1.953 -1.982 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.408 -0.197 -3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.727 -0.921 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.434 0.025 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.333 0.962 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.542 1.102 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.057 2.380 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 21 4.347 2.730 -4.284 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.945 0.068 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.661 0.038 -7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.512 2.641 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.087 1.469 -6.050 1.00 0.00 H new ATOM 296 N LYS A 22 5.097 -3.007 -3.033 1.00 0.00 N ATOM 297 CA LYS A 22 5.992 -4.126 -3.318 1.00 0.00 C ATOM 298 C LYS A 22 5.468 -5.406 -2.669 1.00 0.00 C ATOM 299 O LYS A 22 5.668 -6.506 -3.186 1.00 0.00 O ATOM 300 CB LYS A 22 7.401 -3.838 -2.790 1.00 0.00 C ATOM 301 CG LYS A 22 7.339 -3.508 -1.298 1.00 0.00 C ATOM 302 CD LYS A 22 8.758 -3.433 -0.731 1.00 0.00 C ATOM 303 CE LYS A 22 8.762 -3.953 0.708 1.00 0.00 C ATOM 304 NZ LYS A 22 9.995 -3.483 1.402 1.00 0.00 N ATOM 0 H LYS A 22 5.520 -2.246 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 22 6.032 -4.256 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.044 -4.703 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.841 -3.005 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.825 -2.559 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.765 -4.270 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.438 -4.025 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.118 -2.404 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.877 -3.599 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.722 -5.042 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.936 -3.719 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.827 -3.949 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.084 -2.453 1.292 1.00 0.00 H new ATOM 318 N ARG A 23 4.794 -5.251 -1.533 1.00 0.00 N ATOM 319 CA ARG A 23 4.243 -6.403 -0.824 1.00 0.00 C ATOM 320 C ARG A 23 3.096 -7.017 -1.621 1.00 0.00 C ATOM 321 O ARG A 23 3.018 -8.234 -1.785 1.00 0.00 O ATOM 322 CB ARG A 23 3.726 -5.987 0.555 1.00 0.00 C ATOM 323 CG ARG A 23 3.901 -7.146 1.537 1.00 0.00 C ATOM 324 CD ARG A 23 2.658 -8.037 1.503 1.00 0.00 C ATOM 325 NE ARG A 23 2.995 -9.411 1.883 1.00 0.00 N ATOM 326 CZ ARG A 23 3.307 -9.746 3.143 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.327 -8.850 4.101 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.598 -10.988 3.422 1.00 0.00 N ATOM 0 H ARG A 23 4.617 -4.351 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 23 5.039 -7.138 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.269 -5.111 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.675 -5.706 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.785 -7.727 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.058 -6.762 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.902 -7.642 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.225 -8.027 0.503 1.00 0.00 H new ATOM 0 HE ARG A 23 2.992 -10.136 1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.102 -7.877 3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.567 -9.127 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.587 -11.693 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.837 -11.254 4.377 1.00 0.00 H new ATOM 342 N ARG A 24 2.208 -6.158 -2.114 1.00 0.00 N ATOM 343 CA ARG A 24 1.066 -6.624 -2.896 1.00 0.00 C ATOM 344 C ARG A 24 1.528 -7.156 -4.249 1.00 0.00 C ATOM 345 O ARG A 24 0.921 -8.064 -4.816 1.00 0.00 O ATOM 346 CB ARG A 24 0.071 -5.485 -3.122 1.00 0.00 C ATOM 347 CG ARG A 24 -1.214 -6.045 -3.736 1.00 0.00 C ATOM 348 CD ARG A 24 -2.363 -5.063 -3.505 1.00 0.00 C ATOM 349 NE ARG A 24 -2.127 -3.812 -4.230 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.102 -2.916 -4.444 1.00 0.00 C ATOM 351 NH1 ARG A 24 -4.322 -3.122 -4.007 1.00 0.00 N ATOM 352 NH2 ARG A 24 -2.832 -1.819 -5.097 1.00 0.00 N ATOM 0 H ARG A 24 2.255 -5.147 -1.988 1.00 0.00 H new ATOM 0 HA ARG A 24 0.580 -7.424 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.151 -4.989 -2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.505 -4.734 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.075 -6.213 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.452 -7.010 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.301 -5.509 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.465 -4.858 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.191 -3.616 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.543 -3.976 -3.494 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.050 -2.428 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.886 -1.649 -5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.567 -1.131 -5.265 1.00 0.00 H new ATOM 366 N GLU A 25 2.614 -6.578 -4.763 1.00 0.00 N ATOM 367 CA GLU A 25 3.153 -7.001 -6.054 1.00 0.00 C ATOM 368 C GLU A 25 3.548 -8.474 -6.012 1.00 0.00 C ATOM 369 O GLU A 25 3.315 -9.221 -6.961 1.00 0.00 O ATOM 370 CB GLU A 25 4.380 -6.164 -6.421 1.00 0.00 C ATOM 371 CG GLU A 25 4.446 -5.987 -7.938 1.00 0.00 C ATOM 372 CD GLU A 25 5.145 -4.674 -8.268 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.200 -4.429 -7.705 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.616 -3.930 -9.078 1.00 0.00 O ATOM 0 H GLU A 25 3.132 -5.825 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 25 2.377 -6.856 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.328 -5.191 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.286 -6.652 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.984 -6.821 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.441 -5.992 -8.359 1.00 0.00 H new ATOM 381 N GLN A 26 4.146 -8.881 -4.895 1.00 0.00 N ATOM 382 CA GLN A 26 4.569 -10.269 -4.732 1.00 0.00 C ATOM 383 C GLN A 26 3.352 -11.184 -4.641 1.00 0.00 C ATOM 384 O GLN A 26 3.251 -12.181 -5.355 1.00 0.00 O ATOM 385 CB GLN A 26 5.410 -10.427 -3.465 1.00 0.00 C ATOM 386 CG GLN A 26 6.804 -9.841 -3.698 1.00 0.00 C ATOM 387 CD GLN A 26 7.726 -10.924 -4.248 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.799 -12.023 -3.698 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.443 -10.676 -5.310 1.00 0.00 N ATOM 0 H GLN A 26 4.347 -8.277 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 26 5.169 -10.545 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.926 -9.920 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.488 -11.481 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.747 -9.007 -4.398 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.205 -9.447 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.382 -9.765 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.064 -11.393 -5.685 1.00 0.00 H new ATOM 398 N LEU A 27 2.428 -10.830 -3.751 1.00 0.00 N ATOM 399 CA LEU A 27 1.215 -11.624 -3.571 1.00 0.00 C ATOM 400 C LEU A 27 0.396 -11.637 -4.859 1.00 0.00 C ATOM 401 O LEU A 27 -0.249 -12.630 -5.192 1.00 0.00 O ATOM 402 CB LEU A 27 0.359 -11.048 -2.443 1.00 0.00 C ATOM 403 CG LEU A 27 1.158 -11.056 -1.138 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.594 -9.999 -0.187 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.053 -12.437 -0.486 1.00 0.00 C ATOM 0 H LEU A 27 2.494 -10.009 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 27 1.512 -12.641 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.053 -10.031 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.552 -11.636 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 27 2.203 -10.832 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.163 -10.005 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.667 -9.016 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.451 -10.222 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.622 -12.445 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.008 -12.661 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.455 -13.191 -1.163 1.00 0.00 H new ATOM 417 N LYS A 28 0.434 -10.520 -5.578 1.00 0.00 N ATOM 418 CA LYS A 28 -0.305 -10.405 -6.832 1.00 0.00 C ATOM 419 C LYS A 28 0.405 -11.169 -7.946 1.00 0.00 C ATOM 420 O LYS A 28 -0.227 -11.674 -8.872 1.00 0.00 O ATOM 421 CB LYS A 28 -0.441 -8.938 -7.243 1.00 0.00 C ATOM 422 CG LYS A 28 -1.407 -8.824 -8.425 1.00 0.00 C ATOM 423 CD LYS A 28 -2.847 -8.802 -7.910 1.00 0.00 C ATOM 424 CE LYS A 28 -3.313 -7.353 -7.755 1.00 0.00 C ATOM 425 NZ LYS A 28 -2.726 -6.771 -6.516 1.00 0.00 N ATOM 0 H LYS A 28 0.963 -9.688 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.296 -10.831 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.806 -8.347 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.534 -8.535 -7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.199 -7.916 -8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.266 -9.664 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.500 -9.333 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.910 -9.319 -6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.010 -6.768 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.401 -7.313 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.347 -6.017 -6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.632 -7.514 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.788 -6.375 -6.729 1.00 0.00 H new ATOM 439 N HIS A 29 1.730 -11.247 -7.847 1.00 0.00 N ATOM 440 CA HIS A 29 2.518 -11.951 -8.854 1.00 0.00 C ATOM 441 C HIS A 29 2.155 -13.434 -8.881 1.00 0.00 C ATOM 442 O HIS A 29 2.215 -14.083 -9.925 1.00 0.00 O ATOM 443 CB HIS A 29 4.013 -11.812 -8.558 1.00 0.00 C ATOM 444 CG HIS A 29 4.541 -10.565 -9.210 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.224 -10.223 -10.515 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.368 -9.570 -8.751 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.851 -9.065 -10.794 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.561 -8.623 -9.754 1.00 0.00 N ATOM 0 H HIS A 29 2.275 -10.836 -7.089 1.00 0.00 H new ATOM 0 HA HIS A 29 2.295 -11.505 -9.823 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.179 -11.770 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.550 -12.685 -8.929 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.803 -9.528 -7.763 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.787 -8.555 -11.744 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.124 -7.774 -9.704 1.00 0.00 H new ATOM 647 N LYS B 9 -3.571 13.614 -3.461 1.00 0.00 N ATOM 648 CA LYS B 9 -2.479 12.682 -3.191 1.00 0.00 C ATOM 649 C LYS B 9 -2.693 11.983 -1.853 1.00 0.00 C ATOM 650 O LYS B 9 -2.628 10.758 -1.759 1.00 0.00 O ATOM 651 CB LYS B 9 -1.140 13.420 -3.160 1.00 0.00 C ATOM 652 CG LYS B 9 -0.619 13.596 -4.588 1.00 0.00 C ATOM 653 CD LYS B 9 0.197 12.367 -4.992 1.00 0.00 C ATOM 654 CE LYS B 9 0.269 12.279 -6.516 1.00 0.00 C ATOM 655 NZ LYS B 9 1.576 11.690 -6.920 1.00 0.00 N ATOM 0 HA LYS B 9 -2.465 11.940 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.260 14.393 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.418 12.860 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.453 13.733 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.002 14.492 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS B 9 1.201 12.431 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.261 11.465 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.550 11.667 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.154 13.271 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.624 11.630 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.350 12.291 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.668 10.737 -6.514 1.00 0.00 H new ATOM 669 N ASN B 10 -2.954 12.778 -0.818 1.00 0.00 N ATOM 670 CA ASN B 10 -3.178 12.226 0.515 1.00 0.00 C ATOM 671 C ASN B 10 -4.417 11.337 0.520 1.00 0.00 C ATOM 672 O ASN B 10 -4.457 10.306 1.192 1.00 0.00 O ATOM 673 CB ASN B 10 -3.365 13.349 1.536 1.00 0.00 C ATOM 674 CG ASN B 10 -2.002 13.795 2.057 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.457 13.193 2.981 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.416 14.826 1.513 1.00 0.00 N ATOM 0 H ASN B 10 -3.015 13.795 -0.875 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.304 11.634 0.786 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.884 14.190 1.076 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.987 13.004 2.362 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.505 15.133 1.854 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.869 15.324 0.747 1.00 0.00 H new ATOM 683 N ASP B 11 -5.428 11.748 -0.238 1.00 0.00 N ATOM 684 CA ASP B 11 -6.669 10.982 -0.317 1.00 0.00 C ATOM 685 C ASP B 11 -6.402 9.599 -0.904 1.00 0.00 C ATOM 686 O ASP B 11 -6.896 8.590 -0.401 1.00 0.00 O ATOM 687 CB ASP B 11 -7.690 11.706 -1.196 1.00 0.00 C ATOM 688 CG ASP B 11 -9.042 11.009 -1.084 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.118 9.844 -1.438 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.983 11.652 -0.648 1.00 0.00 O ATOM 0 H ASP B 11 -5.415 12.598 -0.801 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.067 10.880 0.693 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.779 12.747 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.355 11.709 -2.233 1.00 0.00 H new ATOM 695 N THR B 12 -5.611 9.566 -1.972 1.00 0.00 N ATOM 696 CA THR B 12 -5.278 8.303 -2.623 1.00 0.00 C ATOM 697 C THR B 12 -4.241 7.538 -1.804 1.00 0.00 C ATOM 698 O THR B 12 -4.229 6.307 -1.786 1.00 0.00 O ATOM 699 CB THR B 12 -4.718 8.553 -4.025 1.00 0.00 C ATOM 700 OG1 THR B 12 -3.495 9.268 -3.924 1.00 0.00 O ATOM 701 CG2 THR B 12 -5.722 9.369 -4.841 1.00 0.00 C ATOM 0 H THR B 12 -5.192 10.391 -2.402 1.00 0.00 H new ATOM 0 HA THR B 12 -6.191 7.713 -2.697 1.00 0.00 H new ATOM 0 HB THR B 12 -4.542 7.598 -4.521 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.486 9.785 -3.091 1.00 0.00 H new ATOM 0 HG21 THR B 12 -5.321 9.546 -5.839 1.00 0.00 H new ATOM 0 HG22 THR B 12 -6.660 8.819 -4.919 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.901 10.324 -4.347 1.00 0.00 H new ATOM 709 N HIS B 13 -3.372 8.283 -1.126 1.00 0.00 N ATOM 710 CA HIS B 13 -2.332 7.668 -0.305 1.00 0.00 C ATOM 711 C HIS B 13 -2.953 6.835 0.811 1.00 0.00 C ATOM 712 O HIS B 13 -2.682 5.643 0.943 1.00 0.00 O ATOM 713 CB HIS B 13 -1.438 8.740 0.317 1.00 0.00 C ATOM 714 CG HIS B 13 -0.338 9.099 -0.643 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.032 10.294 -1.209 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 0.550 8.156 -1.138 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 1.132 10.098 -2.041 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 1.402 8.792 -1.963 1.00 0.00 N flip ATOM 0 H HIS B 13 -3.366 9.303 -1.128 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.735 7.024 -0.950 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.028 9.625 0.558 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.013 8.376 1.253 1.00 0.00 H new ATOM 0 HD2 HIS B 13 0.557 7.102 -0.904 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.654 10.842 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS B 13 2.161 8.333 -2.467 1.00 0.00 H new ATOM 726 N GLN B 14 -3.789 7.483 1.612 1.00 0.00 N ATOM 727 CA GLN B 14 -4.452 6.805 2.724 1.00 0.00 C ATOM 728 C GLN B 14 -5.331 5.668 2.212 1.00 0.00 C ATOM 729 O GLN B 14 -5.286 4.551 2.724 1.00 0.00 O ATOM 730 CB GLN B 14 -5.318 7.789 3.511 1.00 0.00 C ATOM 731 CG GLN B 14 -4.428 8.855 4.151 1.00 0.00 C ATOM 732 CD GLN B 14 -3.867 8.326 5.466 1.00 0.00 C ATOM 733 OE1 GLN B 14 -2.817 7.551 5.447 1.00 0.00 O flip ATOM 734 NE2 GLN B 14 -4.394 8.623 6.538 1.00 0.00 N flip ATOM 0 H GLN B 14 -4.025 8.471 1.516 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.679 6.399 3.377 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.047 8.258 2.850 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -5.880 7.260 4.280 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.614 9.118 3.475 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.002 9.765 4.328 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -5.215 9.229 6.552 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.010 8.263 7.412 1.00 0.00 H new ATOM 743 N GLN B 15 -6.133 5.969 1.193 1.00 0.00 N ATOM 744 CA GLN B 15 -7.024 4.964 0.616 1.00 0.00 C ATOM 745 C GLN B 15 -6.219 3.803 0.042 1.00 0.00 C ATOM 746 O GLN B 15 -6.490 2.639 0.331 1.00 0.00 O ATOM 747 CB GLN B 15 -7.875 5.579 -0.497 1.00 0.00 C ATOM 748 CG GLN B 15 -9.197 4.817 -0.609 1.00 0.00 C ATOM 749 CD GLN B 15 -10.210 5.406 0.365 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.856 6.412 0.067 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.391 4.836 1.525 1.00 0.00 N ATOM 0 H GLN B 15 -6.185 6.888 0.754 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.675 4.597 1.410 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.066 6.631 -0.284 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.338 5.538 -1.445 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.579 4.879 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.039 3.761 -0.391 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.857 4.003 1.773 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.067 5.223 2.184 1.00 0.00 H new ATOM 760 N ASP B 16 -5.219 4.133 -0.774 1.00 0.00 N ATOM 761 CA ASP B 16 -4.374 3.109 -1.383 1.00 0.00 C ATOM 762 C ASP B 16 -3.663 2.297 -0.305 1.00 0.00 C ATOM 763 O ASP B 16 -3.536 1.077 -0.405 1.00 0.00 O ATOM 764 CB ASP B 16 -3.328 3.748 -2.298 1.00 0.00 C ATOM 765 CG ASP B 16 -2.629 2.664 -3.110 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.168 2.278 -4.134 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.565 2.234 -2.697 1.00 0.00 O ATOM 0 H ASP B 16 -4.976 5.091 -1.026 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.014 2.452 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.804 4.466 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.599 4.299 -1.704 1.00 0.00 H new ATOM 772 N ILE B 17 -3.206 2.993 0.731 1.00 0.00 N ATOM 773 CA ILE B 17 -2.512 2.337 1.836 1.00 0.00 C ATOM 774 C ILE B 17 -3.448 1.342 2.523 1.00 0.00 C ATOM 775 O ILE B 17 -3.307 0.127 2.381 1.00 0.00 O ATOM 776 CB ILE B 17 -2.019 3.397 2.854 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.713 4.009 2.346 1.00 0.00 C ATOM 778 CG2 ILE B 17 -1.775 2.776 4.246 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.425 5.304 3.108 1.00 0.00 C ATOM 0 H ILE B 17 -3.302 4.004 0.830 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.650 1.797 1.445 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.791 4.160 2.951 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.108 3.305 2.482 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.786 4.212 1.278 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.430 3.548 4.934 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.704 2.345 4.620 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.018 1.995 4.169 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.506 5.740 2.746 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.241 6.009 2.950 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.334 5.087 4.172 1.00 0.00 H new ATOM 791 N ASP B 18 -4.383 1.885 3.301 1.00 0.00 N ATOM 792 CA ASP B 18 -5.330 1.065 4.052 1.00 0.00 C ATOM 793 C ASP B 18 -5.938 -0.040 3.182 1.00 0.00 C ATOM 794 O ASP B 18 -6.272 -1.120 3.668 1.00 0.00 O ATOM 795 CB ASP B 18 -6.455 1.941 4.614 1.00 0.00 C ATOM 796 CG ASP B 18 -6.146 2.315 6.061 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.289 3.159 6.264 1.00 0.00 O ATOM 798 OD2 ASP B 18 -6.772 1.753 6.944 1.00 0.00 O ATOM 0 H ASP B 18 -4.504 2.890 3.427 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.780 0.595 4.868 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.562 2.843 4.011 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.404 1.408 4.561 1.00 0.00 H new ATOM 803 N ASP B 19 -6.073 0.246 1.888 1.00 0.00 N ATOM 804 CA ASP B 19 -6.638 -0.731 0.961 1.00 0.00 C ATOM 805 C ASP B 19 -5.617 -1.823 0.659 1.00 0.00 C ATOM 806 O ASP B 19 -5.967 -2.993 0.496 1.00 0.00 O ATOM 807 CB ASP B 19 -7.046 -0.052 -0.350 1.00 0.00 C ATOM 808 CG ASP B 19 -7.813 -1.043 -1.220 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.965 -1.302 -0.913 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.238 -1.527 -2.181 1.00 0.00 O ATOM 0 H ASP B 19 -5.803 1.133 1.463 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.518 -1.173 1.428 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.665 0.821 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.161 0.303 -0.878 1.00 0.00 H new ATOM 815 N LEU B 20 -4.348 -1.429 0.591 1.00 0.00 N ATOM 816 CA LEU B 20 -3.277 -2.382 0.313 1.00 0.00 C ATOM 817 C LEU B 20 -3.202 -3.431 1.417 1.00 0.00 C ATOM 818 O LEU B 20 -3.028 -4.620 1.154 1.00 0.00 O ATOM 819 CB LEU B 20 -1.930 -1.661 0.219 1.00 0.00 C ATOM 820 CG LEU B 20 -1.775 -1.042 -1.170 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.801 0.135 -1.100 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.232 -2.095 -2.139 1.00 0.00 C ATOM 0 H LEU B 20 -4.038 -0.466 0.723 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.495 -2.868 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.867 -0.886 0.983 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.117 -2.362 0.409 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.745 -0.690 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.691 0.576 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.186 0.885 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.170 -0.216 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.121 -1.655 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.262 -2.447 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.926 -2.934 -2.190 1.00 0.00 H new ATOM 834 N LYS B 21 -3.332 -2.972 2.658 1.00 0.00 N ATOM 835 CA LYS B 21 -3.277 -3.875 3.805 1.00 0.00 C ATOM 836 C LYS B 21 -4.451 -4.850 3.777 1.00 0.00 C ATOM 837 O LYS B 21 -4.309 -6.026 4.110 1.00 0.00 O ATOM 838 CB LYS B 21 -3.319 -3.081 5.112 1.00 0.00 C ATOM 839 CG LYS B 21 -1.894 -2.747 5.553 1.00 0.00 C ATOM 840 CD LYS B 21 -1.939 -1.854 6.795 1.00 0.00 C ATOM 841 CE LYS B 21 -0.514 -1.563 7.267 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.489 -0.266 7.999 1.00 0.00 N ATOM 0 H LYS B 21 -3.475 -1.990 2.895 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.343 -4.433 3.748 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -3.893 -2.164 4.975 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.824 -3.660 5.885 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.345 -3.663 5.771 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.362 -2.241 4.747 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.455 -0.922 6.567 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.503 -2.345 7.588 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.163 -2.366 7.916 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.163 -1.524 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.480 -0.067 8.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.807 0.496 7.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.123 -0.320 8.822 1.00 0.00 H new ATOM 856 N ARG B 22 -5.614 -4.344 3.376 1.00 0.00 N ATOM 857 CA ARG B 22 -6.812 -5.176 3.310 1.00 0.00 C ATOM 858 C ARG B 22 -6.688 -6.205 2.191 1.00 0.00 C ATOM 859 O ARG B 22 -7.130 -7.346 2.325 1.00 0.00 O ATOM 860 CB ARG B 22 -8.049 -4.311 3.058 1.00 0.00 C ATOM 861 CG ARG B 22 -8.502 -3.672 4.372 1.00 0.00 C ATOM 862 CD ARG B 22 -9.762 -2.840 4.126 1.00 0.00 C ATOM 863 NE ARG B 22 -9.823 -1.709 5.057 1.00 0.00 N ATOM 864 CZ ARG B 22 -10.115 -1.872 6.355 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.361 -3.059 6.855 1.00 0.00 N ATOM 866 NH2 ARG B 22 -10.155 -0.827 7.137 1.00 0.00 N ATOM 0 H ARG B 22 -5.752 -3.373 3.095 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.917 -5.691 4.265 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.821 -3.537 2.325 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.852 -4.919 2.641 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.702 -4.444 5.114 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.709 -3.041 4.774 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.768 -2.474 3.099 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.647 -3.465 4.246 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.638 -0.769 4.706 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.332 -3.882 6.253 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.581 -3.159 7.846 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -9.965 0.101 6.758 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.376 -0.939 8.126 1.00 0.00 H new ATOM 880 N GLN B 23 -6.082 -5.787 1.083 1.00 0.00 N ATOM 881 CA GLN B 23 -5.906 -6.680 -0.060 1.00 0.00 C ATOM 882 C GLN B 23 -4.747 -7.641 0.186 1.00 0.00 C ATOM 883 O GLN B 23 -4.856 -8.843 -0.054 1.00 0.00 O ATOM 884 CB GLN B 23 -5.625 -5.875 -1.330 1.00 0.00 C ATOM 885 CG GLN B 23 -5.761 -6.786 -2.553 1.00 0.00 C ATOM 886 CD GLN B 23 -7.216 -7.214 -2.710 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.129 -6.416 -2.501 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.488 -8.438 -3.067 1.00 0.00 N ATOM 0 H GLN B 23 -5.708 -4.847 0.952 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.827 -7.248 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.322 -5.040 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.622 -5.450 -1.290 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -5.426 -6.262 -3.449 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -5.123 -7.663 -2.439 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -6.731 -9.099 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -8.458 -8.735 -3.173 1.00 0.00 H new ATOM 897 N ASN B 24 -3.633 -7.096 0.667 1.00 0.00 N ATOM 898 CA ASN B 24 -2.453 -7.911 0.944 1.00 0.00 C ATOM 899 C ASN B 24 -2.766 -8.964 2.003 1.00 0.00 C ATOM 900 O ASN B 24 -2.216 -10.065 1.986 1.00 0.00 O ATOM 901 CB ASN B 24 -1.300 -7.034 1.440 1.00 0.00 C ATOM 902 CG ASN B 24 -0.857 -6.083 0.329 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.558 -5.908 -0.668 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.277 -5.450 0.447 1.00 0.00 N ATOM 0 H ASN B 24 -3.522 -6.103 0.872 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.162 -8.404 0.017 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.615 -6.465 2.315 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.463 -7.659 1.751 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.583 -4.810 -0.286 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.858 -5.594 1.273 1.00 0.00 H new ATOM 911 N ALA B 25 -3.658 -8.612 2.925 1.00 0.00 N ATOM 912 CA ALA B 25 -4.042 -9.533 3.992 1.00 0.00 C ATOM 913 C ALA B 25 -4.845 -10.701 3.425 1.00 0.00 C ATOM 914 O ALA B 25 -4.489 -11.865 3.610 1.00 0.00 O ATOM 915 CB ALA B 25 -4.885 -8.813 5.044 1.00 0.00 C ATOM 0 H ALA B 25 -4.125 -7.706 2.956 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.130 -9.910 4.455 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.162 -9.515 5.831 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.308 -7.994 5.474 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.787 -8.416 4.578 1.00 0.00 H new ATOM 921 N LEU B 26 -5.932 -10.374 2.732 1.00 0.00 N ATOM 922 CA LEU B 26 -6.786 -11.401 2.141 1.00 0.00 C ATOM 923 C LEU B 26 -6.001 -12.226 1.123 1.00 0.00 C ATOM 924 O LEU B 26 -6.248 -13.419 0.947 1.00 0.00 O ATOM 925 CB LEU B 26 -7.993 -10.758 1.443 1.00 0.00 C ATOM 926 CG LEU B 26 -9.186 -10.656 2.407 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.615 -12.057 2.854 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.797 -9.825 3.635 1.00 0.00 C ATOM 0 H LEU B 26 -6.241 -9.416 2.567 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.136 -12.052 2.942 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.725 -9.765 1.082 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.273 -11.349 0.571 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.015 -10.171 1.892 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.461 -11.978 3.537 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.906 -12.644 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.784 -12.548 3.361 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.648 -9.758 4.313 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -7.962 -10.302 4.147 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.505 -8.824 3.319 1.00 0.00 H new ATOM 940 N LEU B 27 -5.053 -11.575 0.455 1.00 0.00 N ATOM 941 CA LEU B 27 -4.236 -12.257 -0.545 1.00 0.00 C ATOM 942 C LEU B 27 -3.418 -13.369 0.104 1.00 0.00 C ATOM 943 O LEU B 27 -3.451 -14.519 -0.333 1.00 0.00 O ATOM 944 CB LEU B 27 -3.285 -11.269 -1.223 1.00 0.00 C ATOM 945 CG LEU B 27 -4.048 -10.470 -2.282 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.226 -9.245 -2.688 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.289 -11.351 -3.508 1.00 0.00 C ATOM 0 H LEU B 27 -4.833 -10.588 0.585 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.905 -12.686 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.856 -10.594 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.455 -11.805 -1.684 1.00 0.00 H new ATOM 0 HG LEU B 27 -5.005 -10.146 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.769 -8.676 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.053 -8.617 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.269 -9.568 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.832 -10.783 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.332 -11.675 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.875 -12.224 -3.219 1.00 0.00 H new ATOM 959 N GLU B 28 -2.681 -13.011 1.154 1.00 0.00 N ATOM 960 CA GLU B 28 -1.850 -13.984 1.865 1.00 0.00 C ATOM 961 C GLU B 28 -2.700 -15.140 2.390 1.00 0.00 C ATOM 962 O GLU B 28 -2.337 -16.308 2.252 1.00 0.00 O ATOM 963 CB GLU B 28 -1.136 -13.312 3.040 1.00 0.00 C ATOM 964 CG GLU B 28 -0.145 -14.293 3.671 1.00 0.00 C ATOM 965 CD GLU B 28 1.092 -13.537 4.147 1.00 0.00 C ATOM 966 OE1 GLU B 28 0.926 -12.484 4.740 1.00 0.00 O ATOM 967 OE2 GLU B 28 2.185 -14.021 3.909 1.00 0.00 O ATOM 0 H GLU B 28 -2.641 -12.063 1.530 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.113 -14.373 1.163 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.611 -12.420 2.697 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.864 -12.987 3.783 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.613 -14.809 4.509 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.139 -15.055 2.946 1.00 0.00 H new ATOM 974 N GLN B 29 -3.836 -14.798 2.995 1.00 0.00 N ATOM 975 CA GLN B 29 -4.742 -15.812 3.544 1.00 0.00 C ATOM 976 C GLN B 29 -5.131 -16.833 2.473 1.00 0.00 C ATOM 977 O GLN B 29 -5.397 -17.996 2.774 1.00 0.00 O ATOM 978 CB GLN B 29 -6.014 -15.152 4.091 1.00 0.00 C ATOM 979 CG GLN B 29 -5.854 -14.892 5.591 1.00 0.00 C ATOM 980 CD GLN B 29 -5.089 -13.591 5.807 1.00 0.00 C ATOM 981 OE1 GLN B 29 -5.660 -12.505 5.712 1.00 0.00 O ATOM 982 NE2 GLN B 29 -3.817 -13.636 6.092 1.00 0.00 N ATOM 0 H GLN B 29 -4.152 -13.836 3.118 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.218 -16.323 4.352 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.203 -14.215 3.568 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.875 -15.796 3.913 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.833 -14.833 6.066 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.322 -15.720 6.059 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -3.344 -14.536 6.171 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -3.296 -12.771 6.236 1.00 0.00 H new ATOM 991 N GLN B 30 -5.155 -16.386 1.221 1.00 0.00 N ATOM 992 CA GLN B 30 -5.507 -17.269 0.113 1.00 0.00 C ATOM 993 C GLN B 30 -4.253 -17.919 -0.466 1.00 0.00 C ATOM 994 O GLN B 30 -4.287 -19.054 -0.940 1.00 0.00 O ATOM 995 CB GLN B 30 -6.220 -16.487 -0.993 1.00 0.00 C ATOM 996 CG GLN B 30 -7.247 -17.391 -1.679 1.00 0.00 C ATOM 997 CD GLN B 30 -8.508 -17.469 -0.825 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.459 -17.268 0.388 1.00 0.00 O ATOM 999 NE2 GLN B 30 -9.648 -17.753 -1.393 1.00 0.00 N ATOM 0 H GLN B 30 -4.937 -15.427 0.949 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.175 -18.041 0.496 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.714 -15.611 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.495 -16.125 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.488 -17.000 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.831 -18.388 -1.823 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -9.689 -17.920 -2.398 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -10.498 -17.808 -0.832 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.145 -17.183 -0.422 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.879 -17.691 -0.943 1.00 0.00 C ATOM 1010 C VAL B 31 -1.324 -18.778 -0.021 1.00 0.00 C ATOM 1011 O VAL B 31 -0.671 -19.719 -0.472 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.859 -16.550 -1.063 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.443 -17.073 -1.682 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.435 -15.439 -1.953 1.00 0.00 C ATOM 0 H VAL B 31 -3.098 -16.241 -0.034 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.058 -18.117 -1.930 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.650 -16.154 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.161 -16.257 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.857 -17.858 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.238 -17.476 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.711 -14.629 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.649 -15.840 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.355 -15.058 -1.510 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.589 -18.635 1.275 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.108 -19.612 2.250 1.00 0.00 C ATOM 1026 C ARG B 32 -1.688 -20.996 1.965 1.00 0.00 C ATOM 1027 O ARG B 32 -1.085 -22.016 2.300 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.493 -19.190 3.671 1.00 0.00 C ATOM 1029 CG ARG B 32 -2.997 -18.918 3.742 1.00 0.00 C ATOM 1030 CD ARG B 32 -3.546 -19.404 5.085 1.00 0.00 C ATOM 1031 NE ARG B 32 -3.220 -20.817 5.294 1.00 0.00 N ATOM 1032 CZ ARG B 32 -3.333 -21.404 6.496 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -3.743 -20.734 7.545 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -3.027 -22.667 6.621 1.00 0.00 N ATOM 0 H ARG B 32 -2.126 -17.864 1.671 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.022 -19.655 2.166 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.222 -19.974 4.379 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.939 -18.296 3.957 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -3.189 -17.852 3.624 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -3.507 -19.427 2.924 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -3.127 -18.805 5.894 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -4.627 -19.266 5.113 1.00 0.00 H new ATOM 0 HE ARG B 32 -2.897 -21.372 4.501 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.984 -19.747 7.457 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -3.822 -21.200 8.449 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -2.706 -23.197 5.810 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -3.109 -23.124 7.529 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.866 -21.024 1.343 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.513 -22.294 1.021 1.00 0.00 C ATOM 1050 C ALA B 33 -3.279 -22.655 -0.443 1.00 0.00 C ATOM 1051 O ALA B 33 -4.142 -23.236 -1.103 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.020 -22.204 1.279 1.00 0.00 C ATOM 0 H ALA B 33 -3.385 -20.194 1.056 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.080 -23.066 1.658 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.489 -23.157 1.035 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.196 -21.972 2.329 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.449 -21.419 0.657 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.097 -22.307 -0.944 1.00 0.00 N ATOM 1059 CA LEU B 34 -1.753 -22.598 -2.333 1.00 0.00 C ATOM 1060 C LEU B 34 -0.290 -23.014 -2.441 1.00 0.00 C ATOM 1061 O LEU B 34 0.521 -22.707 -1.568 1.00 0.00 O ATOM 1062 CB LEU B 34 -1.989 -21.368 -3.213 1.00 0.00 C ATOM 1063 CG LEU B 34 -3.420 -21.392 -3.749 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.833 -19.980 -4.171 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.494 -22.326 -4.960 1.00 0.00 C ATOM 0 H LEU B 34 -1.368 -21.828 -0.416 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.390 -23.414 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -1.820 -20.458 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.279 -21.358 -4.040 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.093 -21.749 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.854 -19.998 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.780 -19.313 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.160 -19.622 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.514 -22.344 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.820 -21.967 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.200 -23.332 -4.662 1.00 0.00 H new