USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 20 SER OG : rot -97:sc= 1.21 USER MOD Set 1.2: A 21 GLN : amide:sc= 1.05 K(o=2.3,f=-1) USER MOD Set 2.1: A 18 HIS : no HE2:sc= 0 X(o=0,f=-0.13) USER MOD Set 2.2: A 24 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -68:sc= 1.16 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.52 K(o=2.7,f=0.097!) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 22 THR OG1 : rot 1:sc= 0.577 USER MOD Single : A 27 THR OG1 : rot 39:sc= 0.368 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 46 HIS : no HD1:sc=-0.00493 X(o=-0.0049,f=-0.48) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.558) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -7.964 -2.793 -9.691 1.00 0.00 N ATOM 51 CA LEU A 4 -7.866 -3.182 -8.264 1.00 0.00 C ATOM 52 C LEU A 4 -9.235 -3.218 -7.501 1.00 0.00 C ATOM 53 O LEU A 4 -10.242 -2.641 -7.922 1.00 0.00 O ATOM 54 CB LEU A 4 -6.781 -2.297 -7.577 1.00 0.00 C ATOM 55 CG LEU A 4 -6.845 -0.758 -7.673 1.00 0.00 C ATOM 56 CD1 LEU A 4 -8.145 -0.149 -7.158 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.683 -0.143 -6.864 1.00 0.00 C ATOM 0 HA LEU A 4 -7.551 -4.225 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.782 -2.553 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.815 -2.604 -7.978 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.778 -0.528 -8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.105 0.935 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.983 -0.539 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.277 -0.408 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.728 0.944 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.766 -0.445 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.733 -0.493 -7.268 1.00 0.00 H new ATOM 69 N THR A 5 -9.253 -3.885 -6.341 1.00 0.00 N ATOM 70 CA THR A 5 -10.427 -3.873 -5.419 1.00 0.00 C ATOM 71 C THR A 5 -10.485 -2.588 -4.509 1.00 0.00 C ATOM 72 O THR A 5 -9.476 -1.920 -4.270 1.00 0.00 O ATOM 73 CB THR A 5 -10.454 -5.159 -4.521 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.289 -5.278 -3.710 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.600 -6.468 -5.289 1.00 0.00 C ATOM 0 H THR A 5 -8.471 -4.446 -6.005 1.00 0.00 H new ATOM 0 HA THR A 5 -11.309 -3.858 -6.060 1.00 0.00 H new ATOM 0 HB THR A 5 -11.345 -5.012 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.510 -5.450 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.609 -7.302 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.533 -6.457 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.762 -6.582 -5.977 1.00 0.00 H new ATOM 83 N ALA A 6 -11.667 -2.269 -3.957 1.00 0.00 N ATOM 84 CA ALA A 6 -11.837 -1.104 -3.040 1.00 0.00 C ATOM 85 C ALA A 6 -10.931 -1.038 -1.759 1.00 0.00 C ATOM 86 O ALA A 6 -10.413 0.035 -1.449 1.00 0.00 O ATOM 87 CB ALA A 6 -13.330 -1.037 -2.689 1.00 0.00 C ATOM 0 H ALA A 6 -12.525 -2.794 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.482 -0.228 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.508 -0.198 -2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.912 -0.902 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.631 -1.964 -2.200 1.00 0.00 H new ATOM 93 N ARG A 7 -10.703 -2.163 -1.060 1.00 0.00 N ATOM 94 CA ARG A 7 -9.690 -2.228 0.033 1.00 0.00 C ATOM 95 C ARG A 7 -8.181 -2.204 -0.424 1.00 0.00 C ATOM 96 O ARG A 7 -7.367 -1.643 0.308 1.00 0.00 O ATOM 97 CB ARG A 7 -9.966 -3.422 0.975 1.00 0.00 C ATOM 98 CG ARG A 7 -11.300 -3.402 1.748 1.00 0.00 C ATOM 99 CD ARG A 7 -11.468 -2.289 2.792 1.00 0.00 C ATOM 100 NE ARG A 7 -10.723 -2.593 4.035 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.742 -1.856 5.140 1.00 0.00 C ATOM 102 NH1 ARG A 7 -11.383 -0.732 5.269 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.087 -2.283 6.162 1.00 0.00 N ATOM 0 H ARG A 7 -11.198 -3.040 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.820 -1.291 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.929 -4.337 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.154 -3.478 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.112 -3.318 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.418 -4.362 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.116 -1.344 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -12.526 -2.162 3.023 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.149 -3.436 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.920 -0.359 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.348 -0.224 6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.574 -3.163 6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.081 -1.741 7.026 1.00 0.00 H new ATOM 116 N GLN A 8 -7.813 -2.709 -1.620 1.00 0.00 N ATOM 117 CA GLN A 8 -6.523 -2.326 -2.275 1.00 0.00 C ATOM 118 C GLN A 8 -6.347 -0.777 -2.532 1.00 0.00 C ATOM 119 O GLN A 8 -5.286 -0.245 -2.212 1.00 0.00 O ATOM 120 CB GLN A 8 -6.352 -3.064 -3.627 1.00 0.00 C ATOM 121 CG GLN A 8 -6.042 -4.566 -3.540 1.00 0.00 C ATOM 122 CD GLN A 8 -6.079 -5.247 -4.898 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.108 -5.756 -5.328 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.001 -5.253 -5.637 1.00 0.00 N ATOM 0 H GLN A 8 -8.374 -3.373 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.756 -2.623 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.266 -2.935 -4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.550 -2.579 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.057 -4.705 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.763 -5.045 -2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.140 -4.832 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.020 -5.679 -6.564 1.00 0.00 H new ATOM 133 N GLN A 9 -7.366 -0.080 -3.063 1.00 0.00 N ATOM 134 CA GLN A 9 -7.368 1.407 -3.155 1.00 0.00 C ATOM 135 C GLN A 9 -7.213 2.175 -1.792 1.00 0.00 C ATOM 136 O GLN A 9 -6.395 3.089 -1.718 1.00 0.00 O ATOM 137 CB GLN A 9 -8.623 1.872 -3.939 1.00 0.00 C ATOM 138 CG GLN A 9 -8.358 2.974 -4.989 1.00 0.00 C ATOM 139 CD GLN A 9 -7.857 4.314 -4.486 1.00 0.00 C ATOM 140 OE1 GLN A 9 -6.749 4.788 -4.995 1.00 0.00 O flip ATOM 141 NE2 GLN A 9 -8.465 4.975 -3.654 1.00 0.00 N flip ATOM 0 H GLN A 9 -8.207 -0.517 -3.439 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.461 1.675 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.061 1.009 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.364 2.238 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.630 2.590 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.284 3.145 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.330 4.616 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.107 5.885 -3.365 1.00 0.00 H new ATOM 150 N GLU A 10 -7.920 1.766 -0.727 1.00 0.00 N ATOM 151 CA GLU A 10 -7.665 2.254 0.659 1.00 0.00 C ATOM 152 C GLU A 10 -6.202 2.035 1.212 1.00 0.00 C ATOM 153 O GLU A 10 -5.618 2.969 1.766 1.00 0.00 O ATOM 154 CB GLU A 10 -8.690 1.586 1.617 1.00 0.00 C ATOM 155 CG GLU A 10 -10.155 2.040 1.480 1.00 0.00 C ATOM 156 CD GLU A 10 -10.433 3.442 1.992 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.380 4.450 1.297 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.745 3.457 3.316 1.00 0.00 O ATOM 0 H GLU A 10 -8.683 1.092 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.781 3.337 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.651 0.508 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.370 1.771 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.441 1.988 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.791 1.338 2.019 1.00 0.00 H new ATOM 166 N VAL A 11 -5.624 0.837 1.041 1.00 0.00 N ATOM 167 CA VAL A 11 -4.174 0.569 1.331 1.00 0.00 C ATOM 168 C VAL A 11 -3.185 1.452 0.477 1.00 0.00 C ATOM 169 O VAL A 11 -2.267 2.051 1.043 1.00 0.00 O ATOM 170 CB VAL A 11 -3.910 -0.972 1.202 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.431 -1.383 1.372 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.698 -1.790 2.254 1.00 0.00 C ATOM 0 H VAL A 11 -6.130 0.019 0.701 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.961 0.875 2.355 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.237 -1.191 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.340 -2.464 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.827 -0.893 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.081 -1.083 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.483 -2.851 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.400 -1.478 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.766 -1.618 2.123 1.00 0.00 H new ATOM 182 N PHE A 12 -3.406 1.554 -0.841 1.00 0.00 N ATOM 183 CA PHE A 12 -2.724 2.546 -1.718 1.00 0.00 C ATOM 184 C PHE A 12 -2.874 4.060 -1.314 1.00 0.00 C ATOM 185 O PHE A 12 -1.882 4.790 -1.342 1.00 0.00 O ATOM 186 CB PHE A 12 -3.205 2.230 -3.159 1.00 0.00 C ATOM 187 CG PHE A 12 -2.378 2.900 -4.257 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.155 2.358 -4.694 1.00 0.00 C ATOM 189 CD2 PHE A 12 -2.805 4.117 -4.795 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.364 3.050 -5.614 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.013 4.801 -5.715 1.00 0.00 C ATOM 192 CZ PHE A 12 -0.788 4.279 -6.108 1.00 0.00 C ATOM 0 H PHE A 12 -4.063 0.954 -1.341 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.645 2.431 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.181 1.151 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.244 2.543 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.826 1.401 -4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.757 4.531 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.576 2.631 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.353 5.741 -6.124 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.164 4.828 -6.798 1.00 0.00 H new ATOM 202 N ASP A 13 -4.063 4.512 -0.895 1.00 0.00 N ATOM 203 CA ASP A 13 -4.266 5.870 -0.318 1.00 0.00 C ATOM 204 C ASP A 13 -3.410 6.221 0.953 1.00 0.00 C ATOM 205 O ASP A 13 -2.910 7.344 1.015 1.00 0.00 O ATOM 206 CB ASP A 13 -5.788 6.028 -0.081 1.00 0.00 C ATOM 207 CG ASP A 13 -6.239 7.455 0.166 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.439 8.277 -0.722 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.389 7.728 1.490 1.00 0.00 O ATOM 0 H ASP A 13 -4.917 3.956 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.889 6.601 -1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.321 5.636 -0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.076 5.416 0.774 1.00 0.00 H new ATOM 215 N LEU A 14 -3.205 5.306 1.917 1.00 0.00 N ATOM 216 CA LEU A 14 -2.227 5.524 3.024 1.00 0.00 C ATOM 217 C LEU A 14 -0.721 5.686 2.586 1.00 0.00 C ATOM 218 O LEU A 14 -0.060 6.607 3.074 1.00 0.00 O ATOM 219 CB LEU A 14 -2.330 4.402 4.087 1.00 0.00 C ATOM 220 CG LEU A 14 -3.578 4.395 4.994 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.473 3.190 5.948 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.700 5.661 5.848 1.00 0.00 C ATOM 0 H LEU A 14 -3.694 4.412 1.962 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.520 6.487 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.284 3.443 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.449 4.462 4.726 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.454 4.342 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.346 3.165 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.427 2.269 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.571 3.282 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.596 5.599 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.824 5.753 6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.767 6.533 5.198 1.00 0.00 H new ATOM 234 N ILE A 15 -0.200 4.836 1.688 1.00 0.00 N ATOM 235 CA ILE A 15 1.144 5.052 1.064 1.00 0.00 C ATOM 236 C ILE A 15 1.305 6.341 0.177 1.00 0.00 C ATOM 237 O ILE A 15 2.372 6.952 0.235 1.00 0.00 O ATOM 238 CB ILE A 15 1.761 3.774 0.388 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.830 3.148 -0.663 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.175 2.715 1.434 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.471 2.112 -1.573 1.00 0.00 C ATOM 0 H ILE A 15 -0.675 3.992 1.369 1.00 0.00 H new ATOM 0 HA ILE A 15 1.756 5.261 1.941 1.00 0.00 H new ATOM 0 HB ILE A 15 2.656 4.117 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.010 2.683 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.421 3.946 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.597 1.848 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.920 3.140 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.300 2.410 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.728 1.735 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.292 2.570 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.854 1.287 -0.972 1.00 0.00 H new ATOM 253 N ARG A 16 0.275 6.807 -0.546 1.00 0.00 N ATOM 254 CA ARG A 16 0.244 8.202 -1.070 1.00 0.00 C ATOM 255 C ARG A 16 0.209 9.334 0.035 1.00 0.00 C ATOM 256 O ARG A 16 1.013 10.264 -0.035 1.00 0.00 O ATOM 257 CB ARG A 16 -0.947 8.394 -2.042 1.00 0.00 C ATOM 258 CG ARG A 16 -0.816 7.665 -3.389 1.00 0.00 C ATOM 259 CD ARG A 16 -1.832 8.139 -4.441 1.00 0.00 C ATOM 260 NE ARG A 16 -3.185 7.586 -4.208 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.193 8.185 -3.603 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.160 9.391 -3.120 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.277 7.505 -3.467 1.00 0.00 N ATOM 0 H ARG A 16 -0.546 6.252 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 16 1.194 8.321 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.857 8.052 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.070 9.460 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.192 7.812 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.943 6.594 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.881 9.228 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.488 7.845 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.356 6.641 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.308 9.947 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.986 9.781 -2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.327 6.549 -3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.086 7.922 -3.006 1.00 0.00 H new ATOM 276 N ASP A 17 -0.701 9.251 1.015 1.00 0.00 N ATOM 277 CA ASP A 17 -0.846 10.266 2.097 1.00 0.00 C ATOM 278 C ASP A 17 0.403 10.479 3.022 1.00 0.00 C ATOM 279 O ASP A 17 0.785 11.627 3.253 1.00 0.00 O ATOM 280 CB ASP A 17 -2.119 9.872 2.886 1.00 0.00 C ATOM 281 CG ASP A 17 -2.659 10.949 3.804 1.00 0.00 C ATOM 282 OD1 ASP A 17 -2.263 11.135 4.948 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.626 11.699 3.212 1.00 0.00 O ATOM 0 H ASP A 17 -1.365 8.480 1.090 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.934 11.250 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.898 9.596 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.901 8.985 3.480 1.00 0.00 H new ATOM 289 N HIS A 18 1.023 9.408 3.529 1.00 0.00 N ATOM 290 CA HIS A 18 2.281 9.492 4.317 1.00 0.00 C ATOM 291 C HIS A 18 3.558 9.951 3.506 1.00 0.00 C ATOM 292 O HIS A 18 4.349 10.723 4.045 1.00 0.00 O ATOM 293 CB HIS A 18 2.546 8.102 4.922 1.00 0.00 C ATOM 294 CG HIS A 18 1.737 7.655 6.145 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.367 7.013 7.206 1.00 0.00 N ATOM 296 CD2 HIS A 18 0.331 7.628 6.329 1.00 0.00 C ATOM 297 CE1 HIS A 18 1.276 6.673 7.953 1.00 0.00 C ATOM 298 NE2 HIS A 18 0.026 6.976 7.504 1.00 0.00 N ATOM 0 H HIS A 18 0.677 8.456 3.411 1.00 0.00 H new ATOM 0 HA HIS A 18 2.126 10.266 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.386 7.365 4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.601 8.057 5.191 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.358 6.845 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.392 8.055 5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.404 6.165 8.898 1.00 0.00 H new ATOM 306 N ILE A 19 3.748 9.514 2.250 1.00 0.00 N ATOM 307 CA ILE A 19 4.749 10.132 1.309 1.00 0.00 C ATOM 308 C ILE A 19 4.511 11.677 1.077 1.00 0.00 C ATOM 309 O ILE A 19 5.460 12.451 1.208 1.00 0.00 O ATOM 310 CB ILE A 19 4.798 9.294 -0.019 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.390 7.864 0.168 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.502 9.978 -1.214 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.890 7.748 0.425 1.00 0.00 C ATOM 0 H ILE A 19 3.230 8.735 1.845 1.00 0.00 H new ATOM 0 HA ILE A 19 5.735 10.089 1.771 1.00 0.00 H new ATOM 0 HB ILE A 19 3.741 9.217 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.869 7.391 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.156 7.284 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.479 9.314 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.986 10.907 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.537 10.196 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.160 6.698 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.437 8.178 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.145 8.286 1.338 1.00 0.00 H new ATOM 325 N SER A 20 3.278 12.104 0.767 1.00 0.00 N ATOM 326 CA SER A 20 2.921 13.540 0.602 1.00 0.00 C ATOM 327 C SER A 20 3.070 14.461 1.858 1.00 0.00 C ATOM 328 O SER A 20 3.656 15.538 1.743 1.00 0.00 O ATOM 329 CB SER A 20 1.472 13.552 0.038 1.00 0.00 C ATOM 330 OG SER A 20 1.024 14.869 -0.285 1.00 0.00 O ATOM 0 H SER A 20 2.492 11.471 0.621 1.00 0.00 H new ATOM 0 HA SER A 20 3.651 13.990 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.427 12.927 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.796 13.111 0.771 1.00 0.00 H new ATOM 0 HG SER A 20 0.488 15.223 0.455 1.00 0.00 H new ATOM 336 N GLN A 21 2.542 14.066 3.025 1.00 0.00 N ATOM 337 CA GLN A 21 2.589 14.904 4.260 1.00 0.00 C ATOM 338 C GLN A 21 3.753 14.600 5.287 1.00 0.00 C ATOM 339 O GLN A 21 3.750 15.154 6.390 1.00 0.00 O ATOM 340 CB GLN A 21 1.199 14.788 4.956 1.00 0.00 C ATOM 341 CG GLN A 21 0.062 15.615 4.315 1.00 0.00 C ATOM 342 CD GLN A 21 -0.523 15.128 3.006 1.00 0.00 C ATOM 343 OE1 GLN A 21 -0.302 15.687 1.938 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.293 14.069 3.019 1.00 0.00 N ATOM 0 H GLN A 21 2.073 13.169 3.153 1.00 0.00 H new ATOM 0 HA GLN A 21 2.818 15.918 3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.902 13.739 4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.306 15.096 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.750 15.682 5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.434 16.628 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.488 13.591 3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.698 13.722 2.149 1.00 0.00 H new ATOM 353 N THR A 22 4.727 13.747 4.958 1.00 0.00 N ATOM 354 CA THR A 22 5.883 13.409 5.851 1.00 0.00 C ATOM 355 C THR A 22 7.131 12.932 5.022 1.00 0.00 C ATOM 356 O THR A 22 8.222 13.473 5.203 1.00 0.00 O ATOM 357 CB THR A 22 5.466 12.385 6.957 1.00 0.00 C ATOM 358 OG1 THR A 22 4.425 12.924 7.768 1.00 0.00 O ATOM 359 CG2 THR A 22 6.572 12.018 7.940 1.00 0.00 C ATOM 0 H THR A 22 4.753 13.259 4.063 1.00 0.00 H new ATOM 0 HA THR A 22 6.186 14.320 6.368 1.00 0.00 H new ATOM 0 HB THR A 22 5.174 11.500 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.191 13.820 7.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.189 11.304 8.669 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.407 11.572 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.912 12.916 8.456 1.00 0.00 H new ATOM 367 N GLY A 23 6.964 11.911 4.173 1.00 0.00 N ATOM 368 CA GLY A 23 8.067 11.271 3.420 1.00 0.00 C ATOM 369 C GLY A 23 8.384 9.803 3.781 1.00 0.00 C ATOM 370 O GLY A 23 9.557 9.430 3.778 1.00 0.00 O ATOM 0 H GLY A 23 6.052 11.496 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.827 11.317 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.971 11.862 3.569 1.00 0.00 H new ATOM 374 N MET A 24 7.367 8.969 4.047 1.00 0.00 N ATOM 375 CA MET A 24 7.567 7.562 4.488 1.00 0.00 C ATOM 376 C MET A 24 6.487 6.579 3.917 1.00 0.00 C ATOM 377 O MET A 24 5.302 6.918 3.978 1.00 0.00 O ATOM 378 CB MET A 24 7.675 7.486 6.036 1.00 0.00 C ATOM 379 CG MET A 24 6.431 7.853 6.857 1.00 0.00 C ATOM 380 SD MET A 24 6.846 7.794 8.609 1.00 0.00 S ATOM 381 CE MET A 24 5.237 8.206 9.302 1.00 0.00 C ATOM 0 H MET A 24 6.387 9.239 3.966 1.00 0.00 H new ATOM 0 HA MET A 24 8.513 7.223 4.066 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.965 6.470 6.302 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.488 8.141 6.348 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.082 8.849 6.586 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.618 7.160 6.639 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.332 8.356 10.377 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.865 9.120 8.839 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.539 7.391 9.110 1.00 0.00 H new ATOM 391 N PRO A 25 6.797 5.359 3.397 1.00 0.00 N ATOM 392 CA PRO A 25 5.736 4.403 2.942 1.00 0.00 C ATOM 393 C PRO A 25 5.258 3.406 4.056 1.00 0.00 C ATOM 394 O PRO A 25 6.012 2.477 4.366 1.00 0.00 O ATOM 395 CB PRO A 25 6.439 3.730 1.738 1.00 0.00 C ATOM 396 CG PRO A 25 7.931 3.699 2.116 1.00 0.00 C ATOM 397 CD PRO A 25 8.155 4.968 2.955 1.00 0.00 C ATOM 0 HA PRO A 25 4.791 4.879 2.682 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.054 2.725 1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.276 4.294 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.176 2.802 2.684 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.563 3.696 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.809 4.773 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.624 5.756 2.366 1.00 0.00 H new ATOM 405 N PRO A 26 4.043 3.509 4.667 1.00 0.00 N ATOM 406 CA PRO A 26 3.567 2.564 5.734 1.00 0.00 C ATOM 407 C PRO A 26 3.381 1.091 5.289 1.00 0.00 C ATOM 408 O PRO A 26 2.577 0.784 4.405 1.00 0.00 O ATOM 409 CB PRO A 26 2.216 3.207 6.186 1.00 0.00 C ATOM 410 CG PRO A 26 1.775 4.079 4.995 1.00 0.00 C ATOM 411 CD PRO A 26 3.111 4.634 4.491 1.00 0.00 C ATOM 0 HA PRO A 26 4.312 2.464 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.472 2.444 6.414 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.345 3.806 7.088 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.262 3.495 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.094 4.873 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.048 4.943 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.424 5.507 5.064 1.00 0.00 H new ATOM 419 N THR A 27 4.100 0.179 5.948 1.00 0.00 N ATOM 420 CA THR A 27 3.994 -1.277 5.676 1.00 0.00 C ATOM 421 C THR A 27 3.293 -2.009 6.856 1.00 0.00 C ATOM 422 O THR A 27 3.810 -2.035 7.976 1.00 0.00 O ATOM 423 CB THR A 27 5.374 -1.967 5.410 1.00 0.00 C ATOM 424 OG1 THR A 27 6.319 -1.764 6.459 1.00 0.00 O ATOM 425 CG2 THR A 27 6.007 -1.551 4.087 1.00 0.00 C ATOM 0 H THR A 27 4.769 0.415 6.681 1.00 0.00 H new ATOM 0 HA THR A 27 3.401 -1.359 4.765 1.00 0.00 H new ATOM 0 HB THR A 27 5.131 -3.028 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.861 -1.808 7.325 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.961 -2.064 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.342 -1.817 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.172 -0.474 4.085 1.00 0.00 H new ATOM 433 N ARG A 28 2.142 -2.641 6.567 1.00 0.00 N ATOM 434 CA ARG A 28 1.600 -3.793 7.343 1.00 0.00 C ATOM 435 C ARG A 28 1.026 -3.461 8.755 1.00 0.00 C ATOM 436 O ARG A 28 -0.180 -3.572 8.975 1.00 0.00 O ATOM 437 CB ARG A 28 2.551 -5.023 7.310 1.00 0.00 C ATOM 438 CG ARG A 28 2.870 -5.529 5.890 1.00 0.00 C ATOM 439 CD ARG A 28 3.903 -6.660 5.868 1.00 0.00 C ATOM 440 NE ARG A 28 4.095 -7.032 4.446 1.00 0.00 N ATOM 441 CZ ARG A 28 4.822 -8.041 4.002 1.00 0.00 C ATOM 442 NH1 ARG A 28 5.490 -8.858 4.762 1.00 0.00 N ATOM 443 NH2 ARG A 28 4.861 -8.225 2.727 1.00 0.00 N ATOM 0 H ARG A 28 1.549 -2.371 5.782 1.00 0.00 H new ATOM 0 HA ARG A 28 0.698 -4.082 6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.484 -4.762 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.099 -5.834 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.950 -5.877 5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.239 -4.697 5.290 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.843 -6.335 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.554 -7.514 6.448 1.00 0.00 H new ATOM 0 HE ARG A 28 3.623 -6.457 3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.474 -8.741 5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.030 -9.616 4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.343 -7.603 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.410 -8.992 2.339 1.00 0.00 H new ATOM 456 N ALA A 29 1.896 -3.030 9.669 1.00 0.00 N ATOM 457 CA ALA A 29 1.503 -2.534 11.009 1.00 0.00 C ATOM 458 C ALA A 29 0.770 -1.155 11.029 1.00 0.00 C ATOM 459 O ALA A 29 -0.329 -1.072 11.580 1.00 0.00 O ATOM 460 CB ALA A 29 2.783 -2.546 11.858 1.00 0.00 C ATOM 0 H ALA A 29 2.903 -3.011 9.509 1.00 0.00 H new ATOM 0 HA ALA A 29 0.737 -3.191 11.421 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.557 -2.189 12.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.173 -3.562 11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.529 -1.896 11.401 1.00 0.00 H new ATOM 466 N GLU A 30 1.328 -0.102 10.400 1.00 0.00 N ATOM 467 CA GLU A 30 0.581 1.171 10.166 1.00 0.00 C ATOM 468 C GLU A 30 -0.712 1.057 9.262 1.00 0.00 C ATOM 469 O GLU A 30 -1.707 1.724 9.550 1.00 0.00 O ATOM 470 CB GLU A 30 1.533 2.248 9.590 1.00 0.00 C ATOM 471 CG GLU A 30 2.597 2.772 10.576 1.00 0.00 C ATOM 472 CD GLU A 30 3.267 4.061 10.119 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.079 5.146 10.657 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.087 3.880 9.050 1.00 0.00 O ATOM 0 H GLU A 30 2.284 -0.097 10.044 1.00 0.00 H new ATOM 0 HA GLU A 30 0.209 1.457 11.150 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.040 1.835 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.936 3.091 9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.130 2.939 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.359 2.006 10.716 1.00 0.00 H new ATOM 482 N ILE A 31 -0.693 0.198 8.233 1.00 0.00 N ATOM 483 CA ILE A 31 -1.905 -0.179 7.441 1.00 0.00 C ATOM 484 C ILE A 31 -3.036 -0.862 8.310 1.00 0.00 C ATOM 485 O ILE A 31 -4.178 -0.399 8.273 1.00 0.00 O ATOM 486 CB ILE A 31 -1.463 -1.060 6.218 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.428 -0.403 5.259 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.644 -1.573 5.367 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.817 0.916 4.597 1.00 0.00 C ATOM 0 H ILE A 31 0.159 -0.264 7.914 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.369 0.735 7.071 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.973 -1.896 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.493 -0.239 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.198 -1.120 4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.263 -2.174 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.301 -2.183 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.203 -0.725 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.002 1.256 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.714 0.770 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.013 1.665 5.365 1.00 0.00 H new ATOM 501 N ALA A 32 -2.726 -1.923 9.075 1.00 0.00 N ATOM 502 CA ALA A 32 -3.695 -2.570 9.995 1.00 0.00 C ATOM 503 C ALA A 32 -4.279 -1.715 11.164 1.00 0.00 C ATOM 504 O ALA A 32 -5.477 -1.824 11.433 1.00 0.00 O ATOM 505 CB ALA A 32 -3.029 -3.856 10.506 1.00 0.00 C ATOM 0 H ALA A 32 -1.804 -2.359 9.078 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.597 -2.755 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.706 -4.369 11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.801 -4.508 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.107 -3.605 11.030 1.00 0.00 H new ATOM 511 N GLN A 33 -3.472 -0.878 11.831 1.00 0.00 N ATOM 512 CA GLN A 33 -3.973 0.069 12.865 1.00 0.00 C ATOM 513 C GLN A 33 -4.897 1.231 12.347 1.00 0.00 C ATOM 514 O GLN A 33 -5.901 1.520 12.997 1.00 0.00 O ATOM 515 CB GLN A 33 -2.776 0.644 13.664 1.00 0.00 C ATOM 516 CG GLN A 33 -1.961 -0.362 14.504 1.00 0.00 C ATOM 517 CD GLN A 33 -2.666 -0.979 15.698 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.647 -0.458 16.805 1.00 0.00 O ATOM 519 NE2 GLN A 33 -3.299 -2.113 15.536 1.00 0.00 N ATOM 0 H GLN A 33 -2.464 -0.830 11.680 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.627 -0.526 13.503 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.099 1.129 12.961 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.152 1.419 14.331 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.634 -1.168 13.847 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.063 0.142 14.862 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.322 -2.557 14.618 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.769 -2.552 16.327 1.00 0.00 H new ATOM 528 N ARG A 34 -4.574 1.876 11.217 1.00 0.00 N ATOM 529 CA ARG A 34 -5.416 2.965 10.643 1.00 0.00 C ATOM 530 C ARG A 34 -6.712 2.497 9.894 1.00 0.00 C ATOM 531 O ARG A 34 -7.774 3.075 10.134 1.00 0.00 O ATOM 532 CB ARG A 34 -4.527 3.842 9.723 1.00 0.00 C ATOM 533 CG ARG A 34 -3.571 4.773 10.497 1.00 0.00 C ATOM 534 CD ARG A 34 -2.593 5.473 9.547 1.00 0.00 C ATOM 535 NE ARG A 34 -1.742 6.446 10.269 1.00 0.00 N ATOM 536 CZ ARG A 34 -0.665 6.165 10.986 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.217 4.964 11.195 1.00 0.00 N ATOM 538 NH2 ARG A 34 -0.017 7.153 11.498 1.00 0.00 N ATOM 0 H ARG A 34 -3.736 1.670 10.673 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.800 3.536 11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.941 3.193 9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.168 4.445 9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.148 5.519 11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.015 4.196 11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.964 4.730 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.149 5.986 8.762 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.012 7.428 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.703 4.162 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.621 4.823 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.339 8.109 11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.818 6.980 12.057 1.00 0.00 H new ATOM 551 N LEU A 35 -6.640 1.498 9.003 1.00 0.00 N ATOM 552 CA LEU A 35 -7.846 0.968 8.295 1.00 0.00 C ATOM 553 C LEU A 35 -8.691 -0.136 9.035 1.00 0.00 C ATOM 554 O LEU A 35 -9.790 -0.450 8.568 1.00 0.00 O ATOM 555 CB LEU A 35 -7.397 0.436 6.903 1.00 0.00 C ATOM 556 CG LEU A 35 -6.949 1.517 5.898 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.243 0.861 4.707 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.115 2.372 5.394 1.00 0.00 C ATOM 0 H LEU A 35 -5.769 1.033 8.746 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.532 1.813 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.575 -0.265 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.221 -0.126 6.464 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.263 2.179 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.929 1.630 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.369 0.313 5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.928 0.172 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.743 3.116 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.845 1.734 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.588 2.875 6.237 1.00 0.00 H new ATOM 570 N GLY A 36 -8.202 -0.714 10.140 1.00 0.00 N ATOM 571 CA GLY A 36 -8.928 -1.765 10.889 1.00 0.00 C ATOM 572 C GLY A 36 -8.818 -3.212 10.378 1.00 0.00 C ATOM 573 O GLY A 36 -9.817 -3.934 10.395 1.00 0.00 O ATOM 0 H GLY A 36 -7.297 -0.472 10.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.576 -1.746 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.984 -1.495 10.908 1.00 0.00 H new ATOM 577 N PHE A 37 -7.614 -3.672 10.005 1.00 0.00 N ATOM 578 CA PHE A 37 -7.396 -5.089 9.620 1.00 0.00 C ATOM 579 C PHE A 37 -7.018 -5.938 10.882 1.00 0.00 C ATOM 580 O PHE A 37 -5.845 -6.192 11.170 1.00 0.00 O ATOM 581 CB PHE A 37 -6.332 -5.245 8.505 1.00 0.00 C ATOM 582 CG PHE A 37 -6.669 -4.606 7.152 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.616 -5.207 6.306 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.029 -3.436 6.716 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.902 -4.661 5.055 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.317 -2.891 5.463 1.00 0.00 C ATOM 587 CZ PHE A 37 -7.251 -3.502 4.636 1.00 0.00 C ATOM 0 H PHE A 37 -6.776 -3.093 9.959 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.333 -5.463 9.207 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.396 -4.816 8.863 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.155 -6.309 8.347 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.128 -6.102 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.306 -2.952 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.628 -5.136 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.813 -1.993 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.473 -3.079 3.668 1.00 0.00 H new ATOM 597 N ARG A 38 -8.047 -6.405 11.601 1.00 0.00 N ATOM 598 CA ARG A 38 -7.865 -7.298 12.783 1.00 0.00 C ATOM 599 C ARG A 38 -7.278 -8.735 12.493 1.00 0.00 C ATOM 600 O ARG A 38 -6.670 -9.329 13.384 1.00 0.00 O ATOM 601 CB ARG A 38 -9.213 -7.418 13.544 1.00 0.00 C ATOM 602 CG ARG A 38 -9.684 -6.113 14.218 1.00 0.00 C ATOM 603 CD ARG A 38 -10.999 -6.308 14.985 1.00 0.00 C ATOM 604 NE ARG A 38 -11.427 -5.019 15.578 1.00 0.00 N ATOM 605 CZ ARG A 38 -11.145 -4.582 16.794 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.423 -5.228 17.662 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.619 -3.432 17.131 1.00 0.00 N ATOM 0 H ARG A 38 -9.022 -6.186 11.395 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.097 -6.815 13.386 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.982 -7.750 12.846 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.118 -8.192 14.306 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.913 -5.759 14.903 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.816 -5.340 13.461 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.771 -6.684 14.313 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.867 -7.054 15.769 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.995 -4.409 14.990 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.031 -6.138 17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.249 -4.824 18.582 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.185 -2.900 16.470 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.428 -3.054 18.059 1.00 0.00 H new ATOM 620 N SER A 39 -7.437 -9.253 11.263 1.00 0.00 N ATOM 621 CA SER A 39 -6.637 -10.406 10.781 1.00 0.00 C ATOM 622 C SER A 39 -5.346 -9.890 10.055 1.00 0.00 C ATOM 623 O SER A 39 -5.492 -9.292 8.980 1.00 0.00 O ATOM 624 CB SER A 39 -7.516 -11.251 9.829 1.00 0.00 C ATOM 625 OG SER A 39 -8.599 -11.855 10.536 1.00 0.00 O ATOM 0 H SER A 39 -8.108 -8.897 10.582 1.00 0.00 H new ATOM 0 HA SER A 39 -6.321 -11.028 11.618 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.905 -10.619 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.909 -12.024 9.357 1.00 0.00 H new ATOM 0 HG SER A 39 -9.142 -12.383 9.914 1.00 0.00 H new ATOM 631 N PRO A 40 -4.092 -10.081 10.554 1.00 0.00 N ATOM 632 CA PRO A 40 -2.869 -9.477 9.906 1.00 0.00 C ATOM 633 C PRO A 40 -2.466 -9.942 8.478 1.00 0.00 C ATOM 634 O PRO A 40 -1.757 -9.205 7.789 1.00 0.00 O ATOM 635 CB PRO A 40 -1.773 -9.712 10.976 1.00 0.00 C ATOM 636 CG PRO A 40 -2.262 -10.933 11.783 1.00 0.00 C ATOM 637 CD PRO A 40 -3.789 -10.754 11.835 1.00 0.00 C ATOM 0 HA PRO A 40 -3.061 -8.433 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.805 -9.906 10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.652 -8.838 11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.986 -11.869 11.298 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.828 -10.951 12.782 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.304 -11.711 11.919 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.095 -10.151 12.690 1.00 0.00 H new ATOM 645 N ASN A 41 -2.960 -11.102 8.011 1.00 0.00 N ATOM 646 CA ASN A 41 -2.889 -11.495 6.577 1.00 0.00 C ATOM 647 C ASN A 41 -3.512 -10.467 5.568 1.00 0.00 C ATOM 648 O ASN A 41 -2.875 -10.190 4.558 1.00 0.00 O ATOM 649 CB ASN A 41 -3.508 -12.909 6.451 1.00 0.00 C ATOM 650 CG ASN A 41 -3.222 -13.608 5.128 1.00 0.00 C ATOM 651 OD1 ASN A 41 -2.155 -14.168 4.915 1.00 0.00 O ATOM 652 ND2 ASN A 41 -4.139 -13.609 4.196 1.00 0.00 N ATOM 0 H ASN A 41 -3.418 -11.794 8.604 1.00 0.00 H new ATOM 0 HA ASN A 41 -1.840 -11.502 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.132 -13.530 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.587 -12.832 6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.960 -14.073 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.033 -13.146 4.360 1.00 0.00 H new ATOM 659 N ALA A 42 -4.700 -9.897 5.831 1.00 0.00 N ATOM 660 CA ALA A 42 -5.327 -8.894 4.926 1.00 0.00 C ATOM 661 C ALA A 42 -4.490 -7.622 4.551 1.00 0.00 C ATOM 662 O ALA A 42 -4.433 -7.279 3.369 1.00 0.00 O ATOM 663 CB ALA A 42 -6.682 -8.545 5.553 1.00 0.00 C ATOM 0 H ALA A 42 -5.253 -10.108 6.662 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.417 -9.356 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.192 -7.809 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.292 -9.445 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.526 -8.132 6.550 1.00 0.00 H new ATOM 669 N ALA A 43 -3.808 -6.975 5.510 1.00 0.00 N ATOM 670 CA ALA A 43 -2.857 -5.870 5.211 1.00 0.00 C ATOM 671 C ALA A 43 -1.617 -6.226 4.313 1.00 0.00 C ATOM 672 O ALA A 43 -1.348 -5.501 3.353 1.00 0.00 O ATOM 673 CB ALA A 43 -2.447 -5.273 6.566 1.00 0.00 C ATOM 0 H ALA A 43 -3.892 -7.192 6.503 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.374 -5.150 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.746 -4.454 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.332 -4.898 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.972 -6.043 7.174 1.00 0.00 H new ATOM 679 N GLU A 44 -0.901 -7.328 4.596 1.00 0.00 N ATOM 680 CA GLU A 44 0.156 -7.862 3.681 1.00 0.00 C ATOM 681 C GLU A 44 -0.323 -8.436 2.306 1.00 0.00 C ATOM 682 O GLU A 44 0.291 -8.133 1.282 1.00 0.00 O ATOM 683 CB GLU A 44 1.115 -8.781 4.467 1.00 0.00 C ATOM 684 CG GLU A 44 0.617 -10.100 5.067 1.00 0.00 C ATOM 685 CD GLU A 44 0.635 -11.304 4.144 1.00 0.00 C ATOM 686 OE1 GLU A 44 1.647 -11.739 3.606 1.00 0.00 O ATOM 687 OE2 GLU A 44 -0.596 -11.860 3.994 1.00 0.00 O ATOM 0 H GLU A 44 -1.025 -7.875 5.448 1.00 0.00 H new ATOM 0 HA GLU A 44 0.717 -6.994 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.944 -9.024 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.526 -8.191 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.225 -10.330 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.404 -9.953 5.418 1.00 0.00 H new ATOM 695 N GLU A 45 -1.427 -9.194 2.277 1.00 0.00 N ATOM 696 CA GLU A 45 -2.162 -9.580 1.035 1.00 0.00 C ATOM 697 C GLU A 45 -2.518 -8.424 0.051 1.00 0.00 C ATOM 698 O GLU A 45 -2.225 -8.550 -1.138 1.00 0.00 O ATOM 699 CB GLU A 45 -3.413 -10.344 1.537 1.00 0.00 C ATOM 700 CG GLU A 45 -4.324 -10.975 0.468 1.00 0.00 C ATOM 701 CD GLU A 45 -5.657 -11.407 1.065 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.888 -12.545 1.461 1.00 0.00 O ATOM 703 OE2 GLU A 45 -6.542 -10.370 1.134 1.00 0.00 O ATOM 0 H GLU A 45 -1.853 -9.570 3.124 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.510 -10.187 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.079 -11.136 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.014 -9.656 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.497 -10.258 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.825 -11.836 0.024 1.00 0.00 H new ATOM 711 N HIS A 46 -3.120 -7.324 0.524 1.00 0.00 N ATOM 712 CA HIS A 46 -3.362 -6.124 -0.321 1.00 0.00 C ATOM 713 C HIS A 46 -2.076 -5.379 -0.825 1.00 0.00 C ATOM 714 O HIS A 46 -2.062 -4.976 -1.987 1.00 0.00 O ATOM 715 CB HIS A 46 -4.314 -5.152 0.406 1.00 0.00 C ATOM 716 CG HIS A 46 -5.759 -5.645 0.590 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.537 -6.167 -0.436 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.496 -5.611 1.786 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.695 -6.408 0.252 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.758 -6.128 1.587 1.00 0.00 N ATOM 0 H HIS A 46 -3.451 -7.231 1.484 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.825 -6.502 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.897 -4.932 1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.338 -4.214 -0.148 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.126 -5.233 2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.554 -6.817 -0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.522 -6.263 2.249 1.00 0.00 H new ATOM 728 N LEU A 47 -1.011 -5.246 -0.017 1.00 0.00 N ATOM 729 CA LEU A 47 0.315 -4.762 -0.503 1.00 0.00 C ATOM 730 C LEU A 47 0.985 -5.640 -1.622 1.00 0.00 C ATOM 731 O LEU A 47 1.358 -5.082 -2.657 1.00 0.00 O ATOM 732 CB LEU A 47 1.272 -4.557 0.699 1.00 0.00 C ATOM 733 CG LEU A 47 0.946 -3.359 1.622 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.762 -3.478 2.919 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.266 -2.008 0.968 1.00 0.00 C ATOM 0 H LEU A 47 -1.031 -5.464 0.979 1.00 0.00 H new ATOM 0 HA LEU A 47 0.118 -3.810 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.269 -5.466 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.285 -4.431 0.316 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.125 -3.391 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.534 -2.635 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.506 -4.408 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.826 -3.475 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.018 -1.202 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.328 -1.964 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.680 -1.897 0.056 1.00 0.00 H new ATOM 747 N LYS A 48 1.093 -6.975 -1.475 1.00 0.00 N ATOM 748 CA LYS A 48 1.499 -7.854 -2.612 1.00 0.00 C ATOM 749 C LYS A 48 0.533 -7.912 -3.843 1.00 0.00 C ATOM 750 O LYS A 48 1.025 -7.944 -4.970 1.00 0.00 O ATOM 751 CB LYS A 48 1.956 -9.240 -2.114 1.00 0.00 C ATOM 752 CG LYS A 48 0.891 -10.178 -1.526 1.00 0.00 C ATOM 753 CD LYS A 48 1.530 -11.523 -1.138 1.00 0.00 C ATOM 754 CE LYS A 48 0.542 -12.549 -0.573 1.00 0.00 C ATOM 755 NZ LYS A 48 0.282 -12.301 0.857 1.00 0.00 N ATOM 0 H LYS A 48 0.911 -7.470 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 48 2.362 -7.348 -3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.432 -9.755 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.723 -9.087 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.433 -9.718 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.096 -10.340 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.015 -11.948 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.310 -11.342 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.394 -12.503 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.942 -13.555 -0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.633 -12.718 1.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.037 -12.733 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.259 -11.276 1.033 1.00 0.00 H new ATOM 768 N ALA A 49 -0.796 -7.866 -3.657 1.00 0.00 N ATOM 769 CA ALA A 49 -1.757 -7.670 -4.773 1.00 0.00 C ATOM 770 C ALA A 49 -1.686 -6.309 -5.548 1.00 0.00 C ATOM 771 O ALA A 49 -1.842 -6.314 -6.769 1.00 0.00 O ATOM 772 CB ALA A 49 -3.156 -7.935 -4.200 1.00 0.00 C ATOM 0 H ALA A 49 -1.238 -7.962 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.483 -8.373 -5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.901 -7.803 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.206 -8.955 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.355 -7.235 -3.389 1.00 0.00 H new ATOM 778 N LEU A 50 -1.430 -5.173 -4.880 1.00 0.00 N ATOM 779 CA LEU A 50 -1.024 -3.903 -5.554 1.00 0.00 C ATOM 780 C LEU A 50 0.285 -3.988 -6.437 1.00 0.00 C ATOM 781 O LEU A 50 0.283 -3.479 -7.561 1.00 0.00 O ATOM 782 CB LEU A 50 -0.872 -2.798 -4.471 1.00 0.00 C ATOM 783 CG LEU A 50 -2.175 -2.287 -3.817 1.00 0.00 C ATOM 784 CD1 LEU A 50 -1.836 -1.507 -2.535 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.961 -1.368 -4.752 1.00 0.00 C ATOM 0 H LEU A 50 -1.494 -5.096 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.815 -3.669 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.222 -3.180 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.361 -1.947 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.791 -3.158 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.756 -1.147 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.313 -2.162 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.198 -0.659 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.870 -1.032 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.349 -0.504 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.226 -1.912 -5.659 1.00 0.00 H new ATOM 797 N ALA A 51 1.351 -4.645 -5.951 1.00 0.00 N ATOM 798 CA ALA A 51 2.529 -5.002 -6.786 1.00 0.00 C ATOM 799 C ALA A 51 2.270 -6.017 -7.954 1.00 0.00 C ATOM 800 O ALA A 51 2.700 -5.757 -9.078 1.00 0.00 O ATOM 801 CB ALA A 51 3.612 -5.509 -5.820 1.00 0.00 C ATOM 0 H ALA A 51 1.429 -4.945 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 51 2.836 -4.107 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.502 -5.786 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.863 -4.722 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.239 -6.380 -5.280 1.00 0.00 H new ATOM 807 N ARG A 52 1.551 -7.121 -7.699 1.00 0.00 N ATOM 808 CA ARG A 52 1.106 -8.086 -8.749 1.00 0.00 C ATOM 809 C ARG A 52 0.197 -7.509 -9.893 1.00 0.00 C ATOM 810 O ARG A 52 0.362 -7.910 -11.045 1.00 0.00 O ATOM 811 CB ARG A 52 0.421 -9.249 -7.987 1.00 0.00 C ATOM 812 CG ARG A 52 0.244 -10.547 -8.798 1.00 0.00 C ATOM 813 CD ARG A 52 -0.522 -11.646 -8.038 1.00 0.00 C ATOM 814 NE ARG A 52 0.266 -12.206 -6.911 1.00 0.00 N ATOM 815 CZ ARG A 52 0.038 -12.015 -5.623 1.00 0.00 C ATOM 816 NH1 ARG A 52 -0.934 -11.299 -5.141 1.00 0.00 N ATOM 817 NH2 ARG A 52 0.842 -12.581 -4.791 1.00 0.00 N ATOM 0 H ARG A 52 1.254 -7.382 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 52 1.982 -8.405 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.006 -9.473 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.559 -8.914 -7.649 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.286 -10.319 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.226 -10.927 -9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.457 -11.236 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.784 -12.447 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 52 1.061 -12.796 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.588 -10.836 -5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.043 -11.200 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.616 -13.149 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.705 -12.461 -3.787 1.00 0.00 H new ATOM 830 N LYS A 53 -0.712 -6.569 -9.590 1.00 0.00 N ATOM 831 CA LYS A 53 -1.368 -5.718 -10.620 1.00 0.00 C ATOM 832 C LYS A 53 -0.381 -4.813 -11.462 1.00 0.00 C ATOM 833 O LYS A 53 -0.464 -4.814 -12.690 1.00 0.00 O ATOM 834 CB LYS A 53 -2.426 -4.809 -9.924 1.00 0.00 C ATOM 835 CG LYS A 53 -3.686 -5.504 -9.385 1.00 0.00 C ATOM 836 CD LYS A 53 -4.911 -5.458 -10.308 1.00 0.00 C ATOM 837 CE LYS A 53 -4.797 -6.313 -11.569 1.00 0.00 C ATOM 838 NZ LYS A 53 -6.074 -6.251 -12.304 1.00 0.00 N ATOM 0 H LYS A 53 -1.017 -6.371 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.823 -6.405 -11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.940 -4.295 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.737 -4.044 -10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.445 -6.547 -9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.953 -5.046 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.785 -5.783 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.088 -4.423 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.982 -5.952 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.563 -7.344 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.007 -6.830 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.840 -6.614 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.277 -5.265 -12.565 1.00 0.00 H new ATOM 851 N GLY A 54 0.491 -4.046 -10.791 1.00 0.00 N ATOM 852 CA GLY A 54 1.415 -3.086 -11.447 1.00 0.00 C ATOM 853 C GLY A 54 1.375 -1.603 -10.999 1.00 0.00 C ATOM 854 O GLY A 54 1.928 -0.765 -11.710 1.00 0.00 O ATOM 0 H GLY A 54 0.582 -4.068 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.432 -3.450 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.218 -3.115 -12.519 1.00 0.00 H new ATOM 858 N VAL A 55 0.778 -1.277 -9.846 1.00 0.00 N ATOM 859 CA VAL A 55 0.756 0.113 -9.293 1.00 0.00 C ATOM 860 C VAL A 55 1.853 0.455 -8.213 1.00 0.00 C ATOM 861 O VAL A 55 2.007 1.633 -7.881 1.00 0.00 O ATOM 862 CB VAL A 55 -0.665 0.535 -8.779 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.703 0.569 -9.914 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.225 -0.304 -7.625 1.00 0.00 C ATOM 0 H VAL A 55 0.293 -1.956 -9.260 1.00 0.00 H new ATOM 0 HA VAL A 55 1.021 0.713 -10.164 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.496 1.537 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.672 0.866 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.389 1.286 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.784 -0.421 -10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.210 0.071 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.308 -1.345 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.556 -0.236 -6.768 1.00 0.00 H new ATOM 874 N ILE A 56 2.601 -0.524 -7.683 1.00 0.00 N ATOM 875 CA ILE A 56 3.775 -0.263 -6.804 1.00 0.00 C ATOM 876 C ILE A 56 4.996 -1.184 -7.162 1.00 0.00 C ATOM 877 O ILE A 56 4.846 -2.392 -7.368 1.00 0.00 O ATOM 878 CB ILE A 56 3.476 -0.325 -5.256 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.910 -1.671 -4.763 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.581 0.851 -4.828 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.774 -1.822 -3.248 1.00 0.00 C ATOM 0 H ILE A 56 2.420 -1.515 -7.843 1.00 0.00 H new ATOM 0 HA ILE A 56 4.034 0.774 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 56 4.446 -0.236 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.928 -1.817 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.552 -2.471 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.387 0.790 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.084 1.792 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.637 0.806 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.367 -2.806 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.754 -1.716 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.104 -1.052 -2.864 1.00 0.00 H new ATOM 893 N GLU A 57 6.204 -0.607 -7.165 1.00 0.00 N ATOM 894 CA GLU A 57 7.475 -1.390 -7.199 1.00 0.00 C ATOM 895 C GLU A 57 8.086 -1.485 -5.767 1.00 0.00 C ATOM 896 O GLU A 57 8.238 -0.482 -5.061 1.00 0.00 O ATOM 897 CB GLU A 57 8.374 -0.740 -8.273 1.00 0.00 C ATOM 898 CG GLU A 57 9.778 -1.351 -8.473 1.00 0.00 C ATOM 899 CD GLU A 57 10.881 -0.628 -7.716 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.243 -0.919 -6.583 1.00 0.00 O ATOM 901 OE2 GLU A 57 11.400 0.400 -8.438 1.00 0.00 O ATOM 0 H GLU A 57 6.343 0.403 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 57 7.330 -2.431 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.847 -0.781 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.495 0.314 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.758 -2.394 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.017 -1.345 -9.536 1.00 0.00 H new ATOM 909 N ILE A 58 8.413 -2.711 -5.344 1.00 0.00 N ATOM 910 CA ILE A 58 8.928 -2.990 -3.972 1.00 0.00 C ATOM 911 C ILE A 58 10.497 -2.897 -3.970 1.00 0.00 C ATOM 912 O ILE A 58 11.183 -3.724 -4.579 1.00 0.00 O ATOM 913 CB ILE A 58 8.445 -4.402 -3.471 1.00 0.00 C ATOM 914 CG1 ILE A 58 6.921 -4.688 -3.593 1.00 0.00 C ATOM 915 CG2 ILE A 58 8.895 -4.691 -2.014 1.00 0.00 C ATOM 916 CD1 ILE A 58 5.977 -3.749 -2.850 1.00 0.00 C ATOM 0 H ILE A 58 8.334 -3.543 -5.929 1.00 0.00 H new ATOM 0 HA ILE A 58 8.531 -2.244 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 58 8.938 -5.080 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.656 -4.667 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.738 -5.702 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.539 -5.676 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.983 -4.665 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.479 -3.935 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.946 -4.061 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.196 -3.783 -1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.113 -2.731 -3.216 1.00 0.00 H new ATOM 928 N VAL A 59 11.046 -1.929 -3.231 1.00 0.00 N ATOM 929 CA VAL A 59 12.521 -1.789 -3.038 1.00 0.00 C ATOM 930 C VAL A 59 12.940 -2.709 -1.835 1.00 0.00 C ATOM 931 O VAL A 59 12.874 -2.315 -0.665 1.00 0.00 O ATOM 932 CB VAL A 59 12.923 -0.291 -2.811 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.455 -0.104 -2.691 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.459 0.655 -3.937 1.00 0.00 C ATOM 0 H VAL A 59 10.499 -1.217 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 59 13.054 -2.106 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 59 12.418 -0.033 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.682 0.951 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.827 -0.684 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.936 -0.447 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.774 1.673 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.902 0.341 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.372 0.620 -4.017 1.00 0.00 H new ATOM 944 N SER A 60 13.343 -3.947 -2.150 1.00 0.00 N ATOM 945 CA SER A 60 13.558 -5.003 -1.126 1.00 0.00 C ATOM 946 C SER A 60 14.919 -4.904 -0.370 1.00 0.00 C ATOM 947 O SER A 60 15.895 -5.582 -0.705 1.00 0.00 O ATOM 948 CB SER A 60 13.368 -6.356 -1.860 1.00 0.00 C ATOM 949 OG SER A 60 13.537 -7.460 -0.968 1.00 0.00 O ATOM 0 H SER A 60 13.530 -4.252 -3.105 1.00 0.00 H new ATOM 0 HA SER A 60 12.836 -4.885 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.374 -6.394 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.086 -6.433 -2.677 1.00 0.00 H new ATOM 0 HG SER A 60 13.410 -8.299 -1.458 1.00 0.00 H new ATOM 955 N GLY A 61 14.947 -4.083 0.687 1.00 0.00 N ATOM 956 CA GLY A 61 16.151 -3.910 1.531 1.00 0.00 C ATOM 957 C GLY A 61 15.842 -3.443 2.958 1.00 0.00 C ATOM 958 O GLY A 61 15.747 -4.269 3.866 1.00 0.00 O ATOM 0 H GLY A 61 14.149 -3.522 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.691 -4.856 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.815 -3.187 1.057 1.00 0.00 H new ATOM 962 N ALA A 62 15.693 -2.130 3.167 1.00 0.00 N ATOM 963 CA ALA A 62 15.465 -1.560 4.525 1.00 0.00 C ATOM 964 C ALA A 62 13.968 -1.447 4.990 1.00 0.00 C ATOM 965 O ALA A 62 13.527 -0.392 5.453 1.00 0.00 O ATOM 966 CB ALA A 62 16.198 -0.205 4.501 1.00 0.00 C ATOM 0 H ALA A 62 15.724 -1.433 2.423 1.00 0.00 H new ATOM 0 HA ALA A 62 15.853 -2.242 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.083 0.288 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.257 -0.368 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.773 0.425 3.719 1.00 0.00 H new ATOM 972 N SER A 63 13.221 -2.562 4.918 1.00 0.00 N ATOM 973 CA SER A 63 11.808 -2.673 5.387 1.00 0.00 C ATOM 974 C SER A 63 10.741 -1.807 4.637 1.00 0.00 C ATOM 975 O SER A 63 9.942 -2.349 3.870 1.00 0.00 O ATOM 976 CB SER A 63 11.685 -2.614 6.933 1.00 0.00 C ATOM 977 OG SER A 63 12.389 -3.692 7.549 1.00 0.00 O ATOM 0 H SER A 63 13.579 -3.433 4.527 1.00 0.00 H new ATOM 0 HA SER A 63 11.527 -3.680 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.079 -1.665 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.634 -2.653 7.218 1.00 0.00 H new ATOM 0 HG SER A 63 12.296 -3.629 8.523 1.00 0.00 H new ATOM 983 N ARG A 64 10.719 -0.487 4.867 1.00 0.00 N ATOM 984 CA ARG A 64 9.738 0.433 4.235 1.00 0.00 C ATOM 985 C ARG A 64 10.330 1.119 2.965 1.00 0.00 C ATOM 986 O ARG A 64 10.787 2.265 2.990 1.00 0.00 O ATOM 987 CB ARG A 64 9.228 1.430 5.323 1.00 0.00 C ATOM 988 CG ARG A 64 8.167 0.766 6.223 1.00 0.00 C ATOM 989 CD ARG A 64 7.553 1.667 7.293 1.00 0.00 C ATOM 990 NE ARG A 64 6.515 0.848 7.975 1.00 0.00 N ATOM 991 CZ ARG A 64 6.127 0.971 9.231 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.572 1.875 10.053 1.00 0.00 N ATOM 993 NH2 ARG A 64 5.256 0.126 9.669 1.00 0.00 N ATOM 0 H ARG A 64 11.375 -0.019 5.493 1.00 0.00 H new ATOM 0 HA ARG A 64 8.877 -0.122 3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.066 1.770 5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.804 2.312 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.365 0.386 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.620 -0.095 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.311 2.004 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.114 2.559 6.846 1.00 0.00 H new ATOM 0 HE ARG A 64 6.060 0.123 7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.269 2.551 9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.224 1.908 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.895 -0.601 9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.929 0.185 10.633 1.00 0.00 H new ATOM 1006 N GLY A 65 10.263 0.389 1.845 1.00 0.00 N ATOM 1007 CA GLY A 65 10.727 0.870 0.524 1.00 0.00 C ATOM 1008 C GLY A 65 9.710 0.581 -0.592 1.00 0.00 C ATOM 1009 O GLY A 65 9.700 -0.520 -1.141 1.00 0.00 O ATOM 0 H GLY A 65 9.884 -0.558 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.912 1.943 0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.677 0.394 0.279 1.00 0.00 H new ATOM 1013 N ILE A 66 8.857 1.555 -0.917 1.00 0.00 N ATOM 1014 CA ILE A 66 7.731 1.359 -1.882 1.00 0.00 C ATOM 1015 C ILE A 66 7.737 2.567 -2.894 1.00 0.00 C ATOM 1016 O ILE A 66 7.558 3.719 -2.483 1.00 0.00 O ATOM 1017 CB ILE A 66 6.343 1.275 -1.144 1.00 0.00 C ATOM 1018 CG1 ILE A 66 6.244 0.285 0.049 1.00 0.00 C ATOM 1019 CG2 ILE A 66 5.179 0.999 -2.125 1.00 0.00 C ATOM 1020 CD1 ILE A 66 6.391 -1.201 -0.256 1.00 0.00 C ATOM 0 H ILE A 66 8.911 2.498 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 66 7.871 0.415 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 66 6.257 2.270 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.010 0.557 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.278 0.435 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.241 0.949 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.125 1.802 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.350 0.051 -2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.301 -1.773 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.610 -1.509 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.368 -1.386 -0.703 1.00 0.00 H new ATOM 1032 N ARG A 67 7.893 2.301 -4.198 1.00 0.00 N ATOM 1033 CA ARG A 67 7.762 3.349 -5.246 1.00 0.00 C ATOM 1034 C ARG A 67 6.299 3.386 -5.827 1.00 0.00 C ATOM 1035 O ARG A 67 5.771 2.361 -6.264 1.00 0.00 O ATOM 1036 CB ARG A 67 8.748 3.138 -6.426 1.00 0.00 C ATOM 1037 CG ARG A 67 10.236 3.000 -6.062 1.00 0.00 C ATOM 1038 CD ARG A 67 11.148 3.270 -7.268 1.00 0.00 C ATOM 1039 NE ARG A 67 12.500 2.701 -7.039 1.00 0.00 N ATOM 1040 CZ ARG A 67 13.517 3.315 -6.455 1.00 0.00 C ATOM 1041 NH1 ARG A 67 13.471 4.523 -5.976 1.00 0.00 N ATOM 1042 NH2 ARG A 67 14.624 2.663 -6.353 1.00 0.00 N ATOM 0 H ARG A 67 8.110 1.373 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 67 8.000 4.293 -4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.445 2.242 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.642 3.977 -7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.480 3.696 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.425 1.996 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.711 2.833 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.224 4.344 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 67 12.660 1.747 -7.362 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.608 5.063 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.298 4.930 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.691 1.712 -6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.433 3.098 -5.910 1.00 0.00 H new ATOM 1055 N LEU A 68 5.683 4.571 -5.852 1.00 0.00 N ATOM 1056 CA LEU A 68 4.286 4.750 -6.339 1.00 0.00 C ATOM 1057 C LEU A 68 4.223 4.916 -7.900 1.00 0.00 C ATOM 1058 O LEU A 68 4.668 5.930 -8.448 1.00 0.00 O ATOM 1059 CB LEU A 68 3.692 6.011 -5.644 1.00 0.00 C ATOM 1060 CG LEU A 68 3.456 5.902 -4.120 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.332 7.307 -3.511 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.192 5.104 -3.792 1.00 0.00 C ATOM 0 H LEU A 68 6.123 5.437 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 68 3.708 3.859 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.362 6.851 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.742 6.250 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 68 4.311 5.376 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.166 7.225 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.250 7.865 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.492 7.829 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.065 5.052 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.326 5.595 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.284 4.095 -4.195 1.00 0.00 H new ATOM 1074 N LEU A 69 3.661 3.929 -8.603 1.00 0.00 N ATOM 1075 CA LEU A 69 3.581 3.934 -10.088 1.00 0.00 C ATOM 1076 C LEU A 69 2.165 4.430 -10.559 1.00 0.00 C ATOM 1077 O LEU A 69 1.242 3.642 -10.784 1.00 0.00 O ATOM 1078 CB LEU A 69 3.890 2.523 -10.654 1.00 0.00 C ATOM 1079 CG LEU A 69 5.255 1.888 -10.310 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.262 0.449 -10.853 1.00 0.00 C ATOM 1081 CD2 LEU A 69 6.441 2.655 -10.895 1.00 0.00 C ATOM 0 H LEU A 69 3.247 3.102 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 69 4.330 4.625 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.110 1.846 -10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.809 2.573 -11.740 1.00 0.00 H new ATOM 0 HG LEU A 69 5.372 1.914 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.217 -0.022 -10.622 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.456 -0.119 -10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.118 0.467 -11.933 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.370 2.157 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.356 2.683 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.444 3.673 -10.505 1.00 0.00 H new