USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -0.657! F(o=-1.5,f=0.28!) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -177:sc= 0.936 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= -0.419 USER MOD Single : A 11 GLN : amide:sc=-0.00973 X(o=-0.0097,f=0) USER MOD Single : A 16 TYR OH : rot 102:sc= 1.18 USER MOD Single : A 23 GLN : amide:sc= -0.0407 X(o=-0.041,f=-0.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -6.39! C(o=-9.4!,f=-6.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0883 K(o=-0.088,f=-7.1!) USER MOD Single : A 39 THR OG1 : rot -14:sc= 0.886 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.082) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 0.951 6.500 3.792 1.00 0.00 N ATOM 67 CA GLU A 8 1.760 5.853 2.774 1.00 0.00 C ATOM 68 C GLU A 8 0.863 5.176 1.735 1.00 0.00 C ATOM 69 O GLU A 8 0.091 4.278 2.066 1.00 0.00 O ATOM 70 CB GLU A 8 2.728 4.847 3.400 1.00 0.00 C ATOM 71 CG GLU A 8 4.172 5.346 3.307 1.00 0.00 C ATOM 72 CD GLU A 8 5.146 4.177 3.146 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.911 3.146 3.812 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.104 4.341 2.360 1.00 0.00 O ATOM 0 HA GLU A 8 2.355 6.616 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.463 4.683 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.638 3.886 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.272 6.026 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.423 5.913 4.204 1.00 0.00 H new ATOM 81 N ILE A 9 0.995 5.634 0.498 1.00 0.00 N ATOM 82 CA ILE A 9 0.207 5.084 -0.591 1.00 0.00 C ATOM 83 C ILE A 9 0.994 3.961 -1.269 1.00 0.00 C ATOM 84 O ILE A 9 2.224 3.985 -1.289 1.00 0.00 O ATOM 85 CB ILE A 9 -0.230 6.194 -1.550 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.312 7.071 -0.917 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.675 5.614 -2.894 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.630 6.305 -0.785 1.00 0.00 C ATOM 0 H ILE A 9 1.636 6.380 0.227 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.714 4.643 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 9 0.630 6.835 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.983 7.408 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.465 7.963 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.980 6.424 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.153 5.067 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.515 4.937 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.382 6.951 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.968 5.990 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.479 5.427 -0.156 1.00 0.00 H new ATOM 100 N ALA A 10 0.253 3.003 -1.807 1.00 0.00 N ATOM 101 CA ALA A 10 0.867 1.873 -2.483 1.00 0.00 C ATOM 102 C ALA A 10 0.134 1.613 -3.801 1.00 0.00 C ATOM 103 O ALA A 10 -1.094 1.673 -3.854 1.00 0.00 O ATOM 104 CB ALA A 10 0.852 0.655 -1.558 1.00 0.00 C ATOM 0 H ALA A 10 -0.767 2.986 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 10 1.909 2.088 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.313 -0.193 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.410 0.881 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.177 0.407 -1.299 1.00 0.00 H new ATOM 110 N GLN A 11 0.917 1.331 -4.831 1.00 0.00 N ATOM 111 CA GLN A 11 0.358 1.062 -6.145 1.00 0.00 C ATOM 112 C GLN A 11 0.300 -0.446 -6.399 1.00 0.00 C ATOM 113 O GLN A 11 1.335 -1.102 -6.498 1.00 0.00 O ATOM 114 CB GLN A 11 1.159 1.772 -7.238 1.00 0.00 C ATOM 115 CG GLN A 11 0.817 1.211 -8.620 1.00 0.00 C ATOM 116 CD GLN A 11 1.223 2.190 -9.724 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.370 2.587 -9.847 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.221 2.555 -10.518 1.00 0.00 N ATOM 0 H GLN A 11 1.935 1.283 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.658 1.455 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.947 2.841 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.226 1.654 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.328 0.259 -8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.253 1.011 -8.681 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.716 2.185 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.389 3.205 -11.286 1.00 0.00 H new ATOM 127 N VAL A 12 -0.922 -0.951 -6.496 1.00 0.00 N ATOM 128 CA VAL A 12 -1.128 -2.369 -6.737 1.00 0.00 C ATOM 129 C VAL A 12 -0.362 -2.785 -7.994 1.00 0.00 C ATOM 130 O VAL A 12 -0.409 -2.095 -9.011 1.00 0.00 O ATOM 131 CB VAL A 12 -2.625 -2.672 -6.820 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.868 -4.141 -7.175 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.334 -2.299 -5.517 1.00 0.00 C ATOM 0 H VAL A 12 -1.779 -0.404 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.736 -2.959 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.046 -2.060 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.940 -4.330 -7.228 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.413 -4.362 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.424 -4.778 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.397 -2.525 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.907 -2.872 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.204 -1.234 -5.324 1.00 0.00 H new ATOM 143 N THR A 13 0.325 -3.913 -7.883 1.00 0.00 N ATOM 144 CA THR A 13 1.099 -4.430 -8.998 1.00 0.00 C ATOM 145 C THR A 13 0.582 -5.808 -9.414 1.00 0.00 C ATOM 146 O THR A 13 1.009 -6.355 -10.429 1.00 0.00 O ATOM 147 CB THR A 13 2.574 -4.432 -8.589 1.00 0.00 C ATOM 148 OG1 THR A 13 2.608 -5.245 -7.419 1.00 0.00 O ATOM 149 CG2 THR A 13 3.049 -3.061 -8.105 1.00 0.00 C ATOM 0 H THR A 13 0.361 -4.483 -7.038 1.00 0.00 H new ATOM 0 HA THR A 13 0.992 -3.798 -9.880 1.00 0.00 H new ATOM 0 HB THR A 13 3.185 -4.750 -9.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.528 -5.302 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.102 -3.118 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.923 -2.330 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.461 -2.757 -7.239 1.00 0.00 H new ATOM 157 N SER A 14 -0.331 -6.330 -8.607 1.00 0.00 N ATOM 158 CA SER A 14 -0.911 -7.634 -8.879 1.00 0.00 C ATOM 159 C SER A 14 -2.261 -7.764 -8.170 1.00 0.00 C ATOM 160 O SER A 14 -2.366 -7.501 -6.973 1.00 0.00 O ATOM 161 CB SER A 14 0.029 -8.758 -8.439 1.00 0.00 C ATOM 162 OG SER A 14 1.389 -8.333 -8.404 1.00 0.00 O ATOM 0 H SER A 14 -0.683 -5.874 -7.765 1.00 0.00 H new ATOM 0 HA SER A 14 -1.062 -7.723 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.266 -9.112 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.070 -9.602 -9.122 1.00 0.00 H new ATOM 0 HG SER A 14 1.957 -9.078 -8.117 1.00 0.00 H new ATOM 168 N ALA A 15 -3.261 -8.168 -8.940 1.00 0.00 N ATOM 169 CA ALA A 15 -4.600 -8.336 -8.401 1.00 0.00 C ATOM 170 C ALA A 15 -4.578 -9.419 -7.321 1.00 0.00 C ATOM 171 O ALA A 15 -3.802 -10.370 -7.405 1.00 0.00 O ATOM 172 CB ALA A 15 -5.570 -8.665 -9.537 1.00 0.00 C ATOM 0 H ALA A 15 -3.171 -8.384 -9.933 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.945 -7.413 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.574 -8.791 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.570 -7.851 -10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.258 -9.587 -10.027 1.00 0.00 H new ATOM 178 N TYR A 16 -5.439 -9.240 -6.330 1.00 0.00 N ATOM 179 CA TYR A 16 -5.529 -10.190 -5.234 1.00 0.00 C ATOM 180 C TYR A 16 -6.985 -10.422 -4.827 1.00 0.00 C ATOM 181 O TYR A 16 -7.841 -9.568 -5.055 1.00 0.00 O ATOM 182 CB TYR A 16 -4.779 -9.554 -4.062 1.00 0.00 C ATOM 183 CG TYR A 16 -5.009 -10.256 -2.722 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.555 -11.545 -2.532 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.670 -9.599 -1.704 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.772 -12.206 -1.271 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.887 -10.260 -0.443 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.427 -11.530 -0.288 1.00 0.00 C ATOM 189 OH TYR A 16 -5.631 -12.154 0.903 1.00 0.00 O ATOM 0 H TYR A 16 -6.081 -8.450 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.110 -11.153 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.712 -9.556 -4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.084 -8.511 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.037 -12.058 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.024 -8.590 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.423 -13.215 -1.109 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.404 -9.758 0.362 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.979 -11.829 1.558 1.00 0.00 H new ATOM 269 N GLN A 23 -9.162 -9.278 5.503 1.00 0.00 N ATOM 270 CA GLN A 23 -8.357 -9.138 4.301 1.00 0.00 C ATOM 271 C GLN A 23 -8.972 -8.092 3.369 1.00 0.00 C ATOM 272 O GLN A 23 -10.160 -7.791 3.467 1.00 0.00 O ATOM 273 CB GLN A 23 -8.198 -10.482 3.588 1.00 0.00 C ATOM 274 CG GLN A 23 -7.029 -11.278 4.173 1.00 0.00 C ATOM 275 CD GLN A 23 -7.529 -12.361 5.132 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.595 -12.264 5.717 1.00 0.00 O ATOM 277 NE2 GLN A 23 -6.701 -13.394 5.260 1.00 0.00 N ATOM 0 HA GLN A 23 -7.363 -8.798 4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.118 -11.059 3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.033 -10.316 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.457 -11.737 3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.353 -10.604 4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.823 -13.412 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.944 -14.169 5.878 1.00 0.00 H new ATOM 286 N LEU A 24 -8.134 -7.568 2.486 1.00 0.00 N ATOM 287 CA LEU A 24 -8.581 -6.562 1.537 1.00 0.00 C ATOM 288 C LEU A 24 -8.157 -6.974 0.126 1.00 0.00 C ATOM 289 O LEU A 24 -6.996 -7.309 -0.104 1.00 0.00 O ATOM 290 CB LEU A 24 -8.080 -5.176 1.950 1.00 0.00 C ATOM 291 CG LEU A 24 -8.214 -4.074 0.897 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.664 -3.934 0.431 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.647 -2.750 1.414 1.00 0.00 C ATOM 0 H LEU A 24 -7.149 -7.821 2.408 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.669 -6.495 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.623 -4.866 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.030 -5.259 2.229 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.623 -4.359 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.731 -3.144 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.999 -4.876 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.297 -3.682 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.755 -1.984 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.190 -2.446 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.592 -2.876 1.656 1.00 0.00 H new ATOM 305 N SER A 25 -9.121 -6.937 -0.782 1.00 0.00 N ATOM 306 CA SER A 25 -8.862 -7.302 -2.164 1.00 0.00 C ATOM 307 C SER A 25 -8.079 -6.188 -2.862 1.00 0.00 C ATOM 308 O SER A 25 -8.445 -5.018 -2.773 1.00 0.00 O ATOM 309 CB SER A 25 -10.166 -7.584 -2.913 1.00 0.00 C ATOM 310 OG SER A 25 -10.857 -6.384 -3.250 1.00 0.00 O ATOM 0 H SER A 25 -10.083 -6.660 -0.587 1.00 0.00 H new ATOM 0 HA SER A 25 -8.266 -8.215 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.948 -8.145 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.809 -8.212 -2.297 1.00 0.00 H new ATOM 0 HG SER A 25 -11.683 -6.606 -3.728 1.00 0.00 H new ATOM 316 N LEU A 26 -7.015 -6.593 -3.541 1.00 0.00 N ATOM 317 CA LEU A 26 -6.177 -5.643 -4.254 1.00 0.00 C ATOM 318 C LEU A 26 -6.476 -5.731 -5.752 1.00 0.00 C ATOM 319 O LEU A 26 -6.703 -6.818 -6.281 1.00 0.00 O ATOM 320 CB LEU A 26 -4.704 -5.863 -3.907 1.00 0.00 C ATOM 321 CG LEU A 26 -4.387 -6.070 -2.424 1.00 0.00 C ATOM 322 CD1 LEU A 26 -2.941 -6.528 -2.231 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.702 -4.810 -1.616 1.00 0.00 C ATOM 0 H LEU A 26 -6.714 -7.565 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.405 -4.624 -3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.347 -6.733 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.135 -5.004 -4.263 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.029 -6.865 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.742 -6.668 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.785 -7.470 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.264 -5.773 -2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.468 -4.983 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.103 -3.979 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.760 -4.568 -1.717 1.00 0.00 H new ATOM 335 N ALA A 27 -6.466 -4.571 -6.394 1.00 0.00 N ATOM 336 CA ALA A 27 -6.733 -4.503 -7.820 1.00 0.00 C ATOM 337 C ALA A 27 -5.589 -3.761 -8.514 1.00 0.00 C ATOM 338 O ALA A 27 -5.070 -2.779 -7.984 1.00 0.00 O ATOM 339 CB ALA A 27 -8.089 -3.835 -8.055 1.00 0.00 C ATOM 0 H ALA A 27 -6.277 -3.671 -5.952 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.785 -5.504 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.289 -3.784 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.871 -4.417 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.075 -2.827 -7.640 1.00 0.00 H new ATOM 345 N PRO A 28 -5.220 -4.271 -9.719 1.00 0.00 N ATOM 346 CA PRO A 28 -4.147 -3.666 -10.491 1.00 0.00 C ATOM 347 C PRO A 28 -4.609 -2.363 -11.145 1.00 0.00 C ATOM 348 O PRO A 28 -5.460 -2.377 -12.033 1.00 0.00 O ATOM 349 CB PRO A 28 -3.743 -4.727 -11.502 1.00 0.00 C ATOM 350 CG PRO A 28 -4.906 -5.704 -11.567 1.00 0.00 C ATOM 351 CD PRO A 28 -5.812 -5.431 -10.377 1.00 0.00 C ATOM 0 HA PRO A 28 -3.296 -3.378 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.551 -4.283 -12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.826 -5.231 -11.195 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.455 -5.582 -12.501 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.543 -6.732 -11.543 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.834 -5.226 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.853 -6.289 -9.706 1.00 0.00 H new ATOM 359 N GLY A 29 -4.027 -1.266 -10.680 1.00 0.00 N ATOM 360 CA GLY A 29 -4.368 0.043 -11.209 1.00 0.00 C ATOM 361 C GLY A 29 -5.169 0.855 -10.189 1.00 0.00 C ATOM 362 O GLY A 29 -5.932 1.746 -10.560 1.00 0.00 O ATOM 0 H GLY A 29 -3.322 -1.258 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.457 0.581 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.948 -0.071 -12.125 1.00 0.00 H new ATOM 366 N GLN A 30 -4.969 0.517 -8.923 1.00 0.00 N ATOM 367 CA GLN A 30 -5.663 1.203 -7.847 1.00 0.00 C ATOM 368 C GLN A 30 -4.658 1.770 -6.843 1.00 0.00 C ATOM 369 O GLN A 30 -3.449 1.644 -7.032 1.00 0.00 O ATOM 370 CB GLN A 30 -6.661 0.271 -7.156 1.00 0.00 C ATOM 371 CG GLN A 30 -7.908 0.066 -8.018 1.00 0.00 C ATOM 372 CD GLN A 30 -9.092 -0.400 -7.168 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.841 -1.483 -6.439 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.162 0.186 -7.174 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.336 -0.223 -8.619 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.226 2.032 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.189 -0.691 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.947 0.690 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.163 0.998 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.701 -0.671 -8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.287 1.013 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.931 -0.151 -6.595 1.00 0.00 H new ATOM 383 N LEU A 31 -5.194 2.384 -5.799 1.00 0.00 N ATOM 384 CA LEU A 31 -4.359 2.971 -4.765 1.00 0.00 C ATOM 385 C LEU A 31 -4.929 2.615 -3.391 1.00 0.00 C ATOM 386 O LEU A 31 -6.145 2.570 -3.212 1.00 0.00 O ATOM 387 CB LEU A 31 -4.201 4.476 -4.995 1.00 0.00 C ATOM 388 CG LEU A 31 -3.559 4.888 -6.321 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.666 6.399 -6.535 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.112 4.399 -6.405 1.00 0.00 C ATOM 0 H LEU A 31 -6.197 2.488 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.351 2.557 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.186 4.938 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.603 4.887 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.109 4.408 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.202 6.666 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.716 6.691 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.156 6.918 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.679 4.705 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.534 4.831 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.090 3.312 -6.330 1.00 0.00 H new ATOM 402 N ILE A 32 -4.023 2.371 -2.455 1.00 0.00 N ATOM 403 CA ILE A 32 -4.421 2.021 -1.102 1.00 0.00 C ATOM 404 C ILE A 32 -3.554 2.791 -0.104 1.00 0.00 C ATOM 405 O ILE A 32 -2.369 3.014 -0.349 1.00 0.00 O ATOM 406 CB ILE A 32 -4.382 0.504 -0.908 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.621 -0.159 -1.515 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.204 0.144 0.568 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.276 -1.526 -2.108 1.00 0.00 C ATOM 0 H ILE A 32 -3.015 2.409 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.454 2.316 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.515 0.114 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.388 -0.274 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.038 0.483 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.180 -0.940 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.269 0.567 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.036 0.548 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.174 -1.975 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.526 -1.405 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.882 -2.173 -1.325 1.00 0.00 H new ATOM 421 N LEU A 33 -4.177 3.176 0.999 1.00 0.00 N ATOM 422 CA LEU A 33 -3.477 3.917 2.035 1.00 0.00 C ATOM 423 C LEU A 33 -3.044 2.952 3.141 1.00 0.00 C ATOM 424 O LEU A 33 -3.884 2.345 3.804 1.00 0.00 O ATOM 425 CB LEU A 33 -4.335 5.080 2.535 1.00 0.00 C ATOM 426 CG LEU A 33 -3.672 6.015 3.549 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.896 7.128 2.842 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.701 6.572 4.536 1.00 0.00 C ATOM 0 H LEU A 33 -5.160 2.989 1.199 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.571 4.370 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.647 5.672 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.240 4.671 2.985 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.951 5.436 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.435 7.778 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.122 6.689 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.578 7.711 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.204 7.233 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.462 7.131 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.171 5.749 5.075 1.00 0.00 H new ATOM 440 N ILE A 34 -1.734 2.841 3.307 1.00 0.00 N ATOM 441 CA ILE A 34 -1.180 1.961 4.321 1.00 0.00 C ATOM 442 C ILE A 34 -1.488 2.530 5.707 1.00 0.00 C ATOM 443 O ILE A 34 -1.110 3.660 6.017 1.00 0.00 O ATOM 444 CB ILE A 34 0.311 1.727 4.070 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.557 1.242 2.640 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.898 0.769 5.108 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.063 -0.139 2.415 1.00 0.00 C ATOM 0 H ILE A 34 -1.040 3.346 2.756 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.647 0.978 4.269 1.00 0.00 H new ATOM 0 HB ILE A 34 0.829 2.680 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.133 1.955 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.629 1.199 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.959 0.620 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.774 1.192 6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.380 -0.189 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.126 -0.460 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.381 -0.854 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.138 -0.087 2.586 1.00 0.00 H new ATOM 459 N LEU A 35 -2.170 1.722 6.505 1.00 0.00 N ATOM 460 CA LEU A 35 -2.533 2.131 7.851 1.00 0.00 C ATOM 461 C LEU A 35 -1.702 1.339 8.862 1.00 0.00 C ATOM 462 O LEU A 35 -1.321 1.865 9.907 1.00 0.00 O ATOM 463 CB LEU A 35 -4.043 2.003 8.062 1.00 0.00 C ATOM 464 CG LEU A 35 -4.921 2.370 6.863 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.024 1.331 6.653 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.486 3.784 7.010 1.00 0.00 C ATOM 0 H LEU A 35 -2.481 0.786 6.245 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.302 3.185 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.264 0.975 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.327 2.636 8.903 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.298 2.364 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.633 1.616 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.574 0.355 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.651 1.281 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.106 4.020 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.089 3.842 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.666 4.499 7.074 1.00 0.00 H new ATOM 478 N LYS A 36 -1.445 0.086 8.516 1.00 0.00 N ATOM 479 CA LYS A 36 -0.666 -0.785 9.380 1.00 0.00 C ATOM 480 C LYS A 36 0.155 -1.748 8.520 1.00 0.00 C ATOM 481 O LYS A 36 -0.272 -2.133 7.433 1.00 0.00 O ATOM 482 CB LYS A 36 -1.574 -1.486 10.393 1.00 0.00 C ATOM 483 CG LYS A 36 -0.871 -1.641 11.743 1.00 0.00 C ATOM 484 CD LYS A 36 -1.882 -1.630 12.891 1.00 0.00 C ATOM 485 CE LYS A 36 -2.288 -3.053 13.279 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.042 -3.288 14.720 1.00 0.00 N ATOM 0 H LYS A 36 -1.763 -0.347 7.649 1.00 0.00 H new ATOM 0 HA LYS A 36 0.041 -0.203 9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.493 -0.913 10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.860 -2.467 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.307 -2.574 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.153 -0.832 11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.451 -1.123 13.754 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.766 -1.064 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.343 -3.211 13.054 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.724 -3.773 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.323 -4.259 14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.031 -3.158 14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.599 -2.613 15.282 1.00 0.00 H new ATOM 500 N LYS A 37 1.319 -2.109 9.039 1.00 0.00 N ATOM 501 CA LYS A 37 2.204 -3.019 8.332 1.00 0.00 C ATOM 502 C LYS A 37 2.629 -4.146 9.276 1.00 0.00 C ATOM 503 O LYS A 37 3.121 -3.888 10.374 1.00 0.00 O ATOM 504 CB LYS A 37 3.379 -2.255 7.718 1.00 0.00 C ATOM 505 CG LYS A 37 2.893 -1.251 6.671 1.00 0.00 C ATOM 506 CD LYS A 37 4.021 -0.873 5.709 1.00 0.00 C ATOM 507 CE LYS A 37 4.262 0.638 5.713 1.00 0.00 C ATOM 508 NZ LYS A 37 5.175 1.013 6.816 1.00 0.00 N ATOM 0 H LYS A 37 1.670 -1.788 9.941 1.00 0.00 H new ATOM 0 HA LYS A 37 1.683 -3.483 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.927 -1.732 8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.074 -2.958 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.061 -1.678 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.518 -0.356 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.936 -1.392 5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.769 -1.202 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.689 0.947 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.313 1.163 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.329 2.042 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.753 0.735 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.086 0.526 6.694 1.00 0.00 H new ATOM 522 N ASN A 38 2.423 -5.370 8.814 1.00 0.00 N ATOM 523 CA ASN A 38 2.779 -6.537 9.604 1.00 0.00 C ATOM 524 C ASN A 38 4.229 -6.925 9.308 1.00 0.00 C ATOM 525 O ASN A 38 4.836 -6.406 8.372 1.00 0.00 O ATOM 526 CB ASN A 38 1.889 -7.732 9.253 1.00 0.00 C ATOM 527 CG ASN A 38 2.033 -8.846 10.291 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.691 -8.701 11.308 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.383 -9.963 9.979 1.00 0.00 N ATOM 0 H ASN A 38 2.014 -5.580 7.903 1.00 0.00 H new ATOM 0 HA ASN A 38 2.647 -6.285 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.848 -7.412 9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.156 -8.112 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.417 -10.765 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.850 -10.018 9.111 1.00 0.00 H new ATOM 536 N THR A 39 4.743 -7.834 10.123 1.00 0.00 N ATOM 537 CA THR A 39 6.111 -8.298 9.960 1.00 0.00 C ATOM 538 C THR A 39 6.141 -9.597 9.153 1.00 0.00 C ATOM 539 O THR A 39 7.159 -10.286 9.118 1.00 0.00 O ATOM 540 CB THR A 39 6.733 -8.432 11.352 1.00 0.00 C ATOM 541 OG1 THR A 39 8.014 -9.005 11.105 1.00 0.00 O ATOM 542 CG2 THR A 39 6.018 -9.474 12.215 1.00 0.00 C ATOM 0 H THR A 39 4.237 -8.262 10.898 1.00 0.00 H new ATOM 0 HA THR A 39 6.706 -7.585 9.389 1.00 0.00 H new ATOM 0 HB THR A 39 6.708 -7.466 11.856 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.046 -9.353 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.499 -9.529 13.192 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.974 -9.188 12.340 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.072 -10.448 11.729 1.00 0.00 H new ATOM 550 N SER A 40 5.013 -9.892 8.524 1.00 0.00 N ATOM 551 CA SER A 40 4.897 -11.096 7.720 1.00 0.00 C ATOM 552 C SER A 40 4.797 -10.728 6.238 1.00 0.00 C ATOM 553 O SER A 40 5.296 -11.455 5.379 1.00 0.00 O ATOM 554 CB SER A 40 3.685 -11.928 8.143 1.00 0.00 C ATOM 555 OG SER A 40 4.030 -13.288 8.391 1.00 0.00 O ATOM 0 H SER A 40 4.171 -9.317 8.555 1.00 0.00 H new ATOM 0 HA SER A 40 5.790 -11.700 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.245 -11.496 9.042 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.925 -11.883 7.363 1.00 0.00 H new ATOM 0 HG SER A 40 3.229 -13.785 8.660 1.00 0.00 H new ATOM 561 N GLY A 41 4.150 -9.601 5.984 1.00 0.00 N ATOM 562 CA GLY A 41 3.978 -9.127 4.621 1.00 0.00 C ATOM 563 C GLY A 41 2.565 -8.583 4.403 1.00 0.00 C ATOM 564 O GLY A 41 2.292 -7.942 3.390 1.00 0.00 O ATOM 0 H GLY A 41 3.738 -9.001 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.709 -8.346 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.170 -9.941 3.922 1.00 0.00 H new ATOM 568 N TRP A 42 1.703 -8.860 5.372 1.00 0.00 N ATOM 569 CA TRP A 42 0.325 -8.406 5.299 1.00 0.00 C ATOM 570 C TRP A 42 0.283 -6.946 5.755 1.00 0.00 C ATOM 571 O TRP A 42 0.767 -6.616 6.836 1.00 0.00 O ATOM 572 CB TRP A 42 -0.595 -9.315 6.116 1.00 0.00 C ATOM 573 CG TRP A 42 -0.752 -10.723 5.539 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.025 -11.814 5.817 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.731 -11.151 4.569 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.462 -12.909 5.099 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.532 -12.493 4.317 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.751 -10.427 3.926 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.315 -13.228 3.418 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.524 -11.176 3.031 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.337 -12.528 2.765 1.00 0.00 C ATOM 0 H TRP A 42 1.933 -9.393 6.211 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.046 -8.461 4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.205 -9.391 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.579 -8.851 6.186 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.799 -11.834 6.515 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.071 -13.850 5.136 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.924 -9.377 4.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.140 -14.278 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.322 -10.668 2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.977 -13.036 2.058 1.00 0.00 H new ATOM 592 N TRP A 43 -0.301 -6.111 4.908 1.00 0.00 N ATOM 593 CA TRP A 43 -0.412 -4.695 5.210 1.00 0.00 C ATOM 594 C TRP A 43 -1.897 -4.359 5.362 1.00 0.00 C ATOM 595 O TRP A 43 -2.738 -4.916 4.658 1.00 0.00 O ATOM 596 CB TRP A 43 0.285 -3.849 4.143 1.00 0.00 C ATOM 597 CG TRP A 43 1.812 -3.864 4.238 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.579 -4.537 5.107 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.733 -3.144 3.392 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.921 -4.304 4.885 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.017 -3.429 3.808 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.489 -2.279 2.310 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.158 -2.892 3.200 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.640 -1.750 1.713 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.939 -2.027 2.121 1.00 0.00 C ATOM 0 H TRP A 43 -0.702 -6.389 4.012 1.00 0.00 H new ATOM 0 HA TRP A 43 0.097 -4.460 6.145 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.011 -4.209 3.158 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.064 -2.820 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.195 -5.181 5.884 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.699 -4.700 5.413 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.493 -2.042 1.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.153 -3.132 3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.509 -1.080 0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.776 -1.577 1.608 1.00 0.00 H new ATOM 616 N GLN A 44 -2.175 -3.451 6.286 1.00 0.00 N ATOM 617 CA GLN A 44 -3.544 -3.035 6.539 1.00 0.00 C ATOM 618 C GLN A 44 -3.757 -1.595 6.067 1.00 0.00 C ATOM 619 O GLN A 44 -3.400 -0.649 6.768 1.00 0.00 O ATOM 620 CB GLN A 44 -3.898 -3.185 8.020 1.00 0.00 C ATOM 621 CG GLN A 44 -5.411 -3.116 8.231 1.00 0.00 C ATOM 622 CD GLN A 44 -5.752 -2.983 9.717 1.00 0.00 C ATOM 623 OE1 GLN A 44 -7.007 -3.306 10.016 1.00 0.00 O flip ATOM 624 NE2 GLN A 44 -4.929 -2.612 10.538 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.475 -2.992 6.869 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.211 -3.685 5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.518 -4.136 8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.411 -2.398 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.820 -2.267 7.683 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.880 -4.013 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.981 -2.379 10.241 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.189 -2.535 11.521 1.00 0.00 H new ATOM 633 N GLY A 45 -4.337 -1.473 4.882 1.00 0.00 N ATOM 634 CA GLY A 45 -4.601 -0.165 4.309 1.00 0.00 C ATOM 635 C GLY A 45 -6.051 -0.058 3.832 1.00 0.00 C ATOM 636 O GLY A 45 -6.820 -1.011 3.952 1.00 0.00 O ATOM 0 H GLY A 45 -4.632 -2.259 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.400 0.608 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.925 0.013 3.473 1.00 0.00 H new ATOM 640 N GLU A 46 -6.381 1.110 3.300 1.00 0.00 N ATOM 641 CA GLU A 46 -7.725 1.353 2.805 1.00 0.00 C ATOM 642 C GLU A 46 -7.683 1.737 1.324 1.00 0.00 C ATOM 643 O GLU A 46 -6.905 2.602 0.925 1.00 0.00 O ATOM 644 CB GLU A 46 -8.427 2.433 3.631 1.00 0.00 C ATOM 645 CG GLU A 46 -9.824 2.724 3.079 1.00 0.00 C ATOM 646 CD GLU A 46 -10.236 4.170 3.366 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.650 4.424 4.517 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.129 4.988 2.427 1.00 0.00 O ATOM 0 H GLU A 46 -5.741 1.898 3.201 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.301 0.433 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.502 2.110 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.832 3.346 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.839 2.544 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.546 2.041 3.527 1.00 0.00 H new ATOM 655 N LEU A 47 -8.530 1.074 0.550 1.00 0.00 N ATOM 656 CA LEU A 47 -8.599 1.335 -0.878 1.00 0.00 C ATOM 657 C LEU A 47 -9.063 2.775 -1.107 1.00 0.00 C ATOM 658 O LEU A 47 -10.140 3.163 -0.658 1.00 0.00 O ATOM 659 CB LEU A 47 -9.474 0.289 -1.572 1.00 0.00 C ATOM 660 CG LEU A 47 -8.876 -0.366 -2.818 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.359 -1.811 -2.963 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.169 0.464 -4.069 1.00 0.00 C ATOM 0 H LEU A 47 -9.174 0.357 0.884 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.612 1.242 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.709 -0.494 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.417 0.760 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.793 -0.398 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.919 -2.254 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.057 -2.385 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.446 -1.825 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.733 -0.024 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.247 0.551 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.736 1.458 -3.956 1.00 0.00 H new ATOM 674 N GLN A 48 -8.226 3.528 -1.806 1.00 0.00 N ATOM 675 CA GLN A 48 -8.537 4.917 -2.101 1.00 0.00 C ATOM 676 C GLN A 48 -9.284 5.023 -3.432 1.00 0.00 C ATOM 677 O GLN A 48 -9.186 6.036 -4.123 1.00 0.00 O ATOM 678 CB GLN A 48 -7.268 5.772 -2.113 1.00 0.00 C ATOM 679 CG GLN A 48 -6.695 5.923 -0.703 1.00 0.00 C ATOM 680 CD GLN A 48 -7.454 6.991 0.086 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.543 8.143 -0.306 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.995 6.546 1.217 1.00 0.00 N ATOM 0 H GLN A 48 -7.333 3.203 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.185 5.300 -1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.523 5.315 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.492 6.756 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.753 4.969 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.640 6.191 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.882 5.569 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.522 7.182 1.815 1.00 0.00 H new ATOM 800 N GLN A 55 -12.892 0.562 0.844 1.00 0.00 N ATOM 801 CA GLN A 55 -12.323 -0.740 1.149 1.00 0.00 C ATOM 802 C GLN A 55 -11.185 -0.597 2.162 1.00 0.00 C ATOM 803 O GLN A 55 -10.396 0.344 2.087 1.00 0.00 O ATOM 804 CB GLN A 55 -11.839 -1.438 -0.123 1.00 0.00 C ATOM 805 CG GLN A 55 -12.810 -2.543 -0.545 1.00 0.00 C ATOM 806 CD GLN A 55 -14.082 -1.951 -1.156 1.00 0.00 C ATOM 807 OE1 GLN A 55 -15.105 -1.808 -0.507 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.961 -1.614 -2.437 1.00 0.00 N ATOM 0 HA GLN A 55 -13.102 -1.361 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.740 -0.709 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.849 -1.863 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.327 -3.200 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.068 -3.155 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.075 -1.761 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.754 -1.209 -2.935 1.00 0.00 H new ATOM 817 N LYS A 56 -11.137 -1.544 3.087 1.00 0.00 N ATOM 818 CA LYS A 56 -10.110 -1.536 4.115 1.00 0.00 C ATOM 819 C LYS A 56 -9.963 -2.944 4.694 1.00 0.00 C ATOM 820 O LYS A 56 -10.951 -3.570 5.073 1.00 0.00 O ATOM 821 CB LYS A 56 -10.412 -0.467 5.166 1.00 0.00 C ATOM 822 CG LYS A 56 -9.151 -0.094 5.948 1.00 0.00 C ATOM 823 CD LYS A 56 -8.888 -1.097 7.074 1.00 0.00 C ATOM 824 CE LYS A 56 -9.007 -0.426 8.444 1.00 0.00 C ATOM 825 NZ LYS A 56 -9.143 -1.445 9.509 1.00 0.00 N ATOM 0 H LYS A 56 -11.793 -2.323 3.146 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.145 -1.265 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.819 0.420 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.175 -0.833 5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.295 -0.066 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.260 0.907 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.598 -1.921 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.892 -1.525 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.127 0.190 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.870 0.239 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.274 -0.973 10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.967 -2.048 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.284 -2.031 9.540 1.00 0.00 H new ATOM 839 N GLY A 57 -8.720 -3.402 4.745 1.00 0.00 N ATOM 840 CA GLY A 57 -8.431 -4.724 5.272 1.00 0.00 C ATOM 841 C GLY A 57 -6.932 -5.026 5.204 1.00 0.00 C ATOM 842 O GLY A 57 -6.120 -4.118 5.036 1.00 0.00 O ATOM 0 H GLY A 57 -7.902 -2.880 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.772 -4.790 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.983 -5.474 4.705 1.00 0.00 H new ATOM 846 N TRP A 58 -6.612 -6.304 5.339 1.00 0.00 N ATOM 847 CA TRP A 58 -5.225 -6.737 5.295 1.00 0.00 C ATOM 848 C TRP A 58 -4.960 -7.334 3.911 1.00 0.00 C ATOM 849 O TRP A 58 -5.826 -7.994 3.339 1.00 0.00 O ATOM 850 CB TRP A 58 -4.918 -7.710 6.435 1.00 0.00 C ATOM 851 CG TRP A 58 -4.875 -7.055 7.817 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.897 -6.821 8.651 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.703 -6.557 8.496 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.471 -6.211 9.814 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.095 -6.045 9.716 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.356 -6.540 8.093 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.201 -5.479 10.633 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.475 -5.970 9.020 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.854 -5.451 10.252 1.00 0.00 C ATOM 0 H TRP A 58 -7.289 -7.054 5.479 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.552 -5.893 5.444 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.672 -8.497 6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.958 -8.189 6.241 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.925 -7.077 8.440 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.058 -5.933 10.600 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.027 -6.935 7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.532 -5.085 11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.428 -5.931 8.759 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.112 -5.028 10.913 1.00 0.00 H new ATOM 870 N PHE A 59 -3.758 -7.081 3.413 1.00 0.00 N ATOM 871 CA PHE A 59 -3.368 -7.586 2.108 1.00 0.00 C ATOM 872 C PHE A 59 -1.847 -7.715 2.002 1.00 0.00 C ATOM 873 O PHE A 59 -1.112 -7.069 2.748 1.00 0.00 O ATOM 874 CB PHE A 59 -3.855 -6.570 1.072 1.00 0.00 C ATOM 875 CG PHE A 59 -3.108 -5.235 1.111 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.810 -5.170 0.709 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.742 -4.114 1.547 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.118 -3.931 0.744 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.049 -2.875 1.582 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.752 -2.810 1.180 1.00 0.00 C ATOM 0 H PHE A 59 -3.042 -6.533 3.890 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.802 -8.573 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.752 -7.003 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.917 -6.385 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.306 -6.061 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.772 -4.166 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.088 -3.879 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.552 -1.984 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.225 -1.868 1.207 1.00 0.00 H new ATOM 890 N PRO A 60 -1.408 -8.575 1.045 1.00 0.00 N ATOM 891 CA PRO A 60 0.012 -8.797 0.832 1.00 0.00 C ATOM 892 C PRO A 60 0.650 -7.611 0.107 1.00 0.00 C ATOM 893 O PRO A 60 0.122 -7.137 -0.899 1.00 0.00 O ATOM 894 CB PRO A 60 0.093 -10.092 0.040 1.00 0.00 C ATOM 895 CG PRO A 60 -1.288 -10.301 -0.560 1.00 0.00 C ATOM 896 CD PRO A 60 -2.249 -9.357 0.143 1.00 0.00 C ATOM 0 HA PRO A 60 0.569 -8.881 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.852 -10.026 -0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.369 -10.927 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.273 -10.102 -1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.607 -11.335 -0.432 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.767 -8.716 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.014 -9.907 0.692 1.00 0.00 H new ATOM 904 N ALA A 61 1.775 -7.165 0.645 1.00 0.00 N ATOM 905 CA ALA A 61 2.491 -6.043 0.061 1.00 0.00 C ATOM 906 C ALA A 61 3.136 -6.484 -1.255 1.00 0.00 C ATOM 907 O ALA A 61 3.541 -5.649 -2.062 1.00 0.00 O ATOM 908 CB ALA A 61 3.517 -5.513 1.065 1.00 0.00 C ATOM 0 H ALA A 61 2.209 -7.560 1.479 1.00 0.00 H new ATOM 0 HA ALA A 61 1.805 -5.226 -0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.054 -4.672 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.005 -5.185 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.224 -6.304 1.315 1.00 0.00 H new ATOM 914 N SER A 62 3.211 -7.795 -1.430 1.00 0.00 N ATOM 915 CA SER A 62 3.800 -8.356 -2.633 1.00 0.00 C ATOM 916 C SER A 62 2.878 -8.113 -3.830 1.00 0.00 C ATOM 917 O SER A 62 3.260 -8.359 -4.973 1.00 0.00 O ATOM 918 CB SER A 62 4.071 -9.853 -2.468 1.00 0.00 C ATOM 919 OG SER A 62 5.453 -10.125 -2.252 1.00 0.00 O ATOM 0 H SER A 62 2.874 -8.485 -0.759 1.00 0.00 H new ATOM 0 HA SER A 62 4.754 -7.859 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.491 -10.236 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.732 -10.383 -3.358 1.00 0.00 H new ATOM 0 HG SER A 62 5.584 -11.091 -2.150 1.00 0.00 H new ATOM 925 N HIS A 63 1.681 -7.633 -3.526 1.00 0.00 N ATOM 926 CA HIS A 63 0.701 -7.354 -4.562 1.00 0.00 C ATOM 927 C HIS A 63 0.725 -5.862 -4.902 1.00 0.00 C ATOM 928 O HIS A 63 0.187 -5.447 -5.928 1.00 0.00 O ATOM 929 CB HIS A 63 -0.686 -7.845 -4.144 1.00 0.00 C ATOM 930 CG HIS A 63 -0.956 -9.290 -4.489 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.735 -9.670 -5.568 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.542 -10.442 -3.887 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.782 -10.994 -5.604 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.043 -11.470 -4.561 1.00 0.00 N ATOM 0 H HIS A 63 1.368 -7.430 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 63 0.958 -7.902 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.798 -7.712 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.441 -7.221 -4.623 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.195 -9.038 -6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.086 -10.507 -3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.312 -11.591 -6.331 1.00 0.00 H new ATOM 942 N VAL A 64 1.354 -5.098 -4.023 1.00 0.00 N ATOM 943 CA VAL A 64 1.455 -3.661 -4.217 1.00 0.00 C ATOM 944 C VAL A 64 2.926 -3.244 -4.148 1.00 0.00 C ATOM 945 O VAL A 64 3.793 -4.061 -3.844 1.00 0.00 O ATOM 946 CB VAL A 64 0.579 -2.932 -3.196 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.753 -3.658 -3.000 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.313 -2.762 -1.865 1.00 0.00 C ATOM 0 H VAL A 64 1.799 -5.446 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 64 1.083 -3.382 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 64 0.364 -1.938 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.357 -3.120 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.286 -3.703 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.566 -4.670 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.668 -2.241 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.573 -3.742 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.222 -2.182 -2.022 1.00 0.00 H new ATOM 958 N LYS A 65 3.161 -1.972 -4.437 1.00 0.00 N ATOM 959 CA LYS A 65 4.511 -1.436 -4.412 1.00 0.00 C ATOM 960 C LYS A 65 4.491 -0.042 -3.781 1.00 0.00 C ATOM 961 O LYS A 65 3.717 0.819 -4.197 1.00 0.00 O ATOM 962 CB LYS A 65 5.127 -1.469 -5.812 1.00 0.00 C ATOM 963 CG LYS A 65 4.541 -0.365 -6.694 1.00 0.00 C ATOM 964 CD LYS A 65 5.264 -0.298 -8.041 1.00 0.00 C ATOM 965 CE LYS A 65 6.469 0.641 -7.971 1.00 0.00 C ATOM 966 NZ LYS A 65 7.727 -0.116 -8.158 1.00 0.00 N ATOM 0 H LYS A 65 2.439 -1.297 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 65 5.156 -2.058 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.208 -1.347 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.945 -2.441 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.479 -0.549 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.624 0.595 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.593 -1.296 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.574 0.047 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.383 1.410 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.484 1.151 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.535 0.536 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.814 -0.834 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.716 -0.583 -9.087 1.00 0.00 H new ATOM 980 N LEU A 66 5.350 0.136 -2.789 1.00 0.00 N ATOM 981 CA LEU A 66 5.440 1.411 -2.097 1.00 0.00 C ATOM 982 C LEU A 66 5.841 2.500 -3.094 1.00 0.00 C ATOM 983 O LEU A 66 6.757 2.309 -3.892 1.00 0.00 O ATOM 984 CB LEU A 66 6.380 1.302 -0.894 1.00 0.00 C ATOM 985 CG LEU A 66 5.715 1.012 0.453 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.741 1.032 1.587 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.556 1.978 0.711 1.00 0.00 C ATOM 0 H LEU A 66 5.990 -0.581 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 66 4.469 1.693 -1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.106 0.514 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.938 2.235 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 66 5.295 0.007 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.242 0.823 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.502 0.273 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.212 2.014 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.100 1.751 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.930 3.002 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.811 1.871 -0.077 1.00 0.00 H new ATOM 999 N LEU A 67 5.134 3.618 -3.016 1.00 0.00 N ATOM 1000 CA LEU A 67 5.404 4.738 -3.901 1.00 0.00 C ATOM 1001 C LEU A 67 6.461 5.642 -3.265 1.00 0.00 C ATOM 1002 O LEU A 67 6.655 6.777 -3.699 1.00 0.00 O ATOM 1003 CB LEU A 67 4.106 5.465 -4.257 1.00 0.00 C ATOM 1004 CG LEU A 67 3.175 4.739 -5.231 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.150 5.702 -5.832 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.975 4.007 -6.311 1.00 0.00 C ATOM 0 H LEU A 67 4.374 3.772 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 67 5.814 4.385 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.556 5.658 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.362 6.435 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 67 2.619 3.985 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.501 5.160 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.549 6.138 -5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.668 6.495 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.290 3.499 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.574 4.726 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.632 3.274 -5.843 1.00 0.00 H new