USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=7 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 39 SER OG : rot -150:sc= 1.12 USER MOD Set 1.2: A 41 ASN : amide:sc= 1.13 K(o=2.2,f=-2.3) USER MOD Set 2.1: A 18 HIS : no HD1:sc= 0 X(o=1.3,f=1.3) USER MOD Set 2.2: A 22 THR OG1 : rot -27:sc= 1.35 USER MOD Set 3.1: A 5 THR OG1 : rot -71:sc= 1.21 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.13 K(o=2.3,f=1.5) USER MOD Single : A 9 GLN : amide:sc= 0.355 X(o=0.36,f=-0.034) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.388 K(o=0.39,f=-2.7!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -94:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0197 K(o=-0.02,f=-0.93) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -8.138 -2.138 -9.221 1.00 0.00 N ATOM 51 CA LEU A 4 -8.081 -2.187 -7.739 1.00 0.00 C ATOM 52 C LEU A 4 -9.511 -2.382 -7.127 1.00 0.00 C ATOM 53 O LEU A 4 -10.389 -1.526 -7.259 1.00 0.00 O ATOM 54 CB LEU A 4 -7.450 -0.878 -7.181 1.00 0.00 C ATOM 55 CG LEU A 4 -5.961 -0.629 -7.506 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.577 0.782 -7.036 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.021 -1.636 -6.839 1.00 0.00 C ATOM 0 HA LEU A 4 -7.462 -3.038 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.026 -0.034 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.565 -0.881 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.848 -0.742 -8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.527 0.967 -7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.194 1.518 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.737 0.864 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.990 -1.405 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.135 -1.579 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.267 -2.643 -7.177 1.00 0.00 H new ATOM 69 N THR A 5 -9.714 -3.489 -6.400 1.00 0.00 N ATOM 70 CA THR A 5 -10.927 -3.682 -5.548 1.00 0.00 C ATOM 71 C THR A 5 -10.964 -2.714 -4.302 1.00 0.00 C ATOM 72 O THR A 5 -9.933 -2.184 -3.883 1.00 0.00 O ATOM 73 CB THR A 5 -11.072 -5.169 -5.076 1.00 0.00 C ATOM 74 OG1 THR A 5 -10.009 -5.580 -4.221 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.169 -6.198 -6.197 1.00 0.00 C ATOM 0 H THR A 5 -9.062 -4.273 -6.375 1.00 0.00 H new ATOM 0 HA THR A 5 -11.776 -3.430 -6.184 1.00 0.00 H new ATOM 0 HB THR A 5 -12.022 -5.151 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.186 -5.675 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.266 -7.195 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.041 -5.982 -6.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.269 -6.153 -6.811 1.00 0.00 H new ATOM 83 N ALA A 6 -12.147 -2.489 -3.709 1.00 0.00 N ATOM 84 CA ALA A 6 -12.330 -1.476 -2.629 1.00 0.00 C ATOM 85 C ALA A 6 -11.347 -1.477 -1.405 1.00 0.00 C ATOM 86 O ALA A 6 -10.842 -0.411 -1.050 1.00 0.00 O ATOM 87 CB ALA A 6 -13.798 -1.574 -2.185 1.00 0.00 C ATOM 0 H ALA A 6 -13.001 -2.991 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.064 -0.517 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.987 -0.851 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.449 -1.362 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.000 -2.579 -1.815 1.00 0.00 H new ATOM 93 N ARG A 7 -11.048 -2.640 -0.804 1.00 0.00 N ATOM 94 CA ARG A 7 -10.051 -2.730 0.305 1.00 0.00 C ATOM 95 C ARG A 7 -8.548 -2.531 -0.102 1.00 0.00 C ATOM 96 O ARG A 7 -7.822 -1.852 0.626 1.00 0.00 O ATOM 97 CB ARG A 7 -10.307 -4.055 1.066 1.00 0.00 C ATOM 98 CG ARG A 7 -9.703 -4.130 2.485 1.00 0.00 C ATOM 99 CD ARG A 7 -10.418 -3.231 3.504 1.00 0.00 C ATOM 100 NE ARG A 7 -9.742 -3.356 4.813 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.756 -2.443 5.774 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.420 -1.326 5.733 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.061 -2.677 6.829 1.00 0.00 N ATOM 0 H ARG A 7 -11.473 -3.532 -1.057 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.211 -1.873 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.383 -4.210 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.905 -4.878 0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.741 -5.162 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.651 -3.848 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.401 -2.194 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.465 -3.520 3.592 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.222 -4.215 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.986 -1.099 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.375 -0.677 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.524 -3.541 6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.046 -1.999 7.591 1.00 0.00 H new ATOM 116 N GLN A 8 -8.086 -3.066 -1.246 1.00 0.00 N ATOM 117 CA GLN A 8 -6.761 -2.684 -1.821 1.00 0.00 C ATOM 118 C GLN A 8 -6.636 -1.206 -2.353 1.00 0.00 C ATOM 119 O GLN A 8 -5.576 -0.601 -2.201 1.00 0.00 O ATOM 120 CB GLN A 8 -6.300 -3.757 -2.840 1.00 0.00 C ATOM 121 CG GLN A 8 -7.058 -3.794 -4.171 1.00 0.00 C ATOM 122 CD GLN A 8 -6.737 -4.930 -5.122 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.602 -5.727 -5.469 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.543 -5.010 -5.646 1.00 0.00 N ATOM 0 H GLN A 8 -8.596 -3.758 -1.794 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.062 -2.670 -0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.243 -3.597 -3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.386 -4.736 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.125 -3.830 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.871 -2.855 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.817 -4.352 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.337 -5.731 -6.337 1.00 0.00 H new ATOM 133 N GLN A 9 -7.698 -0.604 -2.913 1.00 0.00 N ATOM 134 CA GLN A 9 -7.771 0.871 -3.148 1.00 0.00 C ATOM 135 C GLN A 9 -7.580 1.773 -1.882 1.00 0.00 C ATOM 136 O GLN A 9 -6.817 2.738 -1.957 1.00 0.00 O ATOM 137 CB GLN A 9 -9.087 1.141 -3.912 1.00 0.00 C ATOM 138 CG GLN A 9 -9.356 2.597 -4.347 1.00 0.00 C ATOM 139 CD GLN A 9 -8.341 3.216 -5.290 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.216 2.844 -6.449 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.580 4.184 -4.850 1.00 0.00 N ATOM 0 H GLN A 9 -8.530 -1.109 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.909 1.169 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.097 0.513 -4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.917 0.816 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.335 2.636 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.413 3.216 -3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.671 4.506 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.895 4.617 -5.470 1.00 0.00 H new ATOM 150 N GLU A 10 -8.186 1.441 -0.727 1.00 0.00 N ATOM 151 CA GLU A 10 -7.790 2.028 0.585 1.00 0.00 C ATOM 152 C GLU A 10 -6.256 1.919 0.953 1.00 0.00 C ATOM 153 O GLU A 10 -5.673 2.915 1.387 1.00 0.00 O ATOM 154 CB GLU A 10 -8.639 1.408 1.725 1.00 0.00 C ATOM 155 CG GLU A 10 -10.142 1.737 1.680 1.00 0.00 C ATOM 156 CD GLU A 10 -10.894 1.225 2.897 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.469 0.142 2.947 1.00 0.00 O ATOM 158 OE2 GLU A 10 -10.858 2.105 3.934 1.00 0.00 O ATOM 0 H GLU A 10 -8.952 0.771 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.984 3.095 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.520 0.325 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.238 1.748 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.271 2.817 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.578 1.302 0.780 1.00 0.00 H new ATOM 166 N VAL A 11 -5.617 0.756 0.730 1.00 0.00 N ATOM 167 CA VAL A 11 -4.125 0.613 0.790 1.00 0.00 C ATOM 168 C VAL A 11 -3.354 1.593 -0.173 1.00 0.00 C ATOM 169 O VAL A 11 -2.439 2.271 0.296 1.00 0.00 O ATOM 170 CB VAL A 11 -3.690 -0.883 0.590 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.162 -1.094 0.707 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.337 -1.847 1.610 1.00 0.00 C ATOM 0 H VAL A 11 -6.102 -0.112 0.504 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.830 0.916 1.795 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.032 -1.108 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.928 -2.148 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.653 -0.499 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.827 -0.783 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.995 -2.864 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.051 -1.554 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.422 -1.804 1.513 1.00 0.00 H new ATOM 182 N PHE A 12 -3.736 1.699 -1.459 1.00 0.00 N ATOM 183 CA PHE A 12 -3.185 2.733 -2.384 1.00 0.00 C ATOM 184 C PHE A 12 -3.338 4.224 -1.933 1.00 0.00 C ATOM 185 O PHE A 12 -2.346 4.956 -1.967 1.00 0.00 O ATOM 186 CB PHE A 12 -3.754 2.468 -3.799 1.00 0.00 C ATOM 187 CG PHE A 12 -3.167 3.320 -4.948 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.805 3.692 -5.018 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.019 3.739 -5.976 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.334 4.479 -6.066 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.541 4.509 -7.037 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.199 4.870 -7.083 1.00 0.00 C ATOM 0 H PHE A 12 -4.425 1.084 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.101 2.618 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.596 1.416 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.831 2.630 -3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.122 3.362 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.063 3.462 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.299 4.785 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.213 4.824 -7.822 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.827 5.456 -7.911 1.00 0.00 H new ATOM 202 N ASP A 13 -4.527 4.650 -1.479 1.00 0.00 N ATOM 203 CA ASP A 13 -4.703 5.962 -0.795 1.00 0.00 C ATOM 204 C ASP A 13 -3.747 6.228 0.427 1.00 0.00 C ATOM 205 O ASP A 13 -3.178 7.316 0.490 1.00 0.00 O ATOM 206 CB ASP A 13 -6.182 6.133 -0.376 1.00 0.00 C ATOM 207 CG ASP A 13 -7.128 6.428 -1.527 1.00 0.00 C ATOM 208 OD1 ASP A 13 -7.781 5.571 -2.112 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.157 7.756 -1.835 1.00 0.00 O ATOM 0 H ASP A 13 -5.388 4.111 -1.569 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.414 6.713 -1.530 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.512 5.224 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.250 6.942 0.351 1.00 0.00 H new ATOM 215 N LEU A 14 -3.519 5.253 1.321 1.00 0.00 N ATOM 216 CA LEU A 14 -2.457 5.349 2.365 1.00 0.00 C ATOM 217 C LEU A 14 -0.981 5.547 1.843 1.00 0.00 C ATOM 218 O LEU A 14 -0.240 6.326 2.443 1.00 0.00 O ATOM 219 CB LEU A 14 -2.557 4.105 3.287 1.00 0.00 C ATOM 220 CG LEU A 14 -2.306 4.347 4.794 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.315 2.988 5.504 1.00 0.00 C ATOM 222 CD2 LEU A 14 -0.992 5.040 5.148 1.00 0.00 C ATOM 0 H LEU A 14 -4.051 4.383 1.351 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.656 6.273 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.551 3.672 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.842 3.361 2.936 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.100 5.022 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.140 3.133 6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.282 2.507 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.529 2.356 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.923 5.158 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.156 4.437 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.959 6.021 4.674 1.00 0.00 H new ATOM 234 N ILE A 15 -0.559 4.897 0.745 1.00 0.00 N ATOM 235 CA ILE A 15 0.780 5.155 0.113 1.00 0.00 C ATOM 236 C ILE A 15 0.976 6.654 -0.359 1.00 0.00 C ATOM 237 O ILE A 15 1.984 7.272 -0.012 1.00 0.00 O ATOM 238 CB ILE A 15 1.140 4.161 -1.042 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.706 2.684 -0.886 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.656 4.190 -1.373 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.076 1.964 0.405 1.00 0.00 C ATOM 0 H ILE A 15 -1.113 4.187 0.265 1.00 0.00 H new ATOM 0 HA ILE A 15 1.487 4.971 0.922 1.00 0.00 H new ATOM 0 HB ILE A 15 0.532 4.553 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.378 2.641 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.132 2.121 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.866 3.487 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.941 5.195 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.227 3.908 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.706 0.939 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.160 1.955 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.627 2.482 1.252 1.00 0.00 H new ATOM 253 N ARG A 16 -0.002 7.216 -1.082 1.00 0.00 N ATOM 254 CA ARG A 16 -0.086 8.681 -1.335 1.00 0.00 C ATOM 255 C ARG A 16 -0.193 9.586 -0.049 1.00 0.00 C ATOM 256 O ARG A 16 0.570 10.545 0.071 1.00 0.00 O ATOM 257 CB ARG A 16 -1.294 8.930 -2.274 1.00 0.00 C ATOM 258 CG ARG A 16 -1.080 8.503 -3.744 1.00 0.00 C ATOM 259 CD ARG A 16 -2.245 7.706 -4.347 1.00 0.00 C ATOM 260 NE ARG A 16 -3.494 8.500 -4.397 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.720 8.010 -4.451 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.009 6.746 -4.508 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.696 8.853 -4.440 1.00 0.00 N ATOM 0 H ARG A 16 -0.758 6.682 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 16 0.859 8.979 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.158 8.396 -1.879 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.539 9.992 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.914 9.395 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.173 7.902 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.980 7.383 -5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.412 6.805 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.400 9.516 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.262 6.052 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.983 6.447 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.505 9.854 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.659 8.519 -4.480 1.00 0.00 H new ATOM 276 N ASP A 17 -1.103 9.280 0.888 1.00 0.00 N ATOM 277 CA ASP A 17 -1.270 10.042 2.152 1.00 0.00 C ATOM 278 C ASP A 17 -0.051 10.033 3.132 1.00 0.00 C ATOM 279 O ASP A 17 0.352 11.115 3.554 1.00 0.00 O ATOM 280 CB ASP A 17 -2.566 9.575 2.857 1.00 0.00 C ATOM 281 CG ASP A 17 -3.841 10.183 2.300 1.00 0.00 C ATOM 282 OD1 ASP A 17 -4.694 9.559 1.677 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.940 11.511 2.582 1.00 0.00 O ATOM 0 H ASP A 17 -1.750 8.496 0.798 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.339 11.089 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.634 8.490 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.496 9.818 3.917 1.00 0.00 H new ATOM 289 N HIS A 18 0.557 8.890 3.482 1.00 0.00 N ATOM 290 CA HIS A 18 1.793 8.880 4.328 1.00 0.00 C ATOM 291 C HIS A 18 3.051 9.596 3.717 1.00 0.00 C ATOM 292 O HIS A 18 3.764 10.268 4.465 1.00 0.00 O ATOM 293 CB HIS A 18 2.075 7.428 4.766 1.00 0.00 C ATOM 294 CG HIS A 18 2.917 7.309 6.050 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.387 7.562 7.309 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.278 6.955 6.159 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.509 7.368 8.071 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.673 6.970 7.479 1.00 0.00 N ATOM 0 H HIS A 18 0.230 7.964 3.204 1.00 0.00 H new ATOM 0 HA HIS A 18 1.587 9.503 5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.125 6.915 4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.590 6.910 3.957 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.919 6.707 5.326 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.473 7.530 9.138 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.577 6.747 7.895 1.00 0.00 H new ATOM 306 N ILE A 19 3.273 9.529 2.393 1.00 0.00 N ATOM 307 CA ILE A 19 4.255 10.421 1.687 1.00 0.00 C ATOM 308 C ILE A 19 3.825 11.939 1.693 1.00 0.00 C ATOM 309 O ILE A 19 4.676 12.789 1.956 1.00 0.00 O ATOM 310 CB ILE A 19 4.579 9.843 0.252 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.345 8.488 0.379 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.448 10.802 -0.602 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.449 7.654 -0.895 1.00 0.00 C ATOM 0 H ILE A 19 2.794 8.872 1.776 1.00 0.00 H new ATOM 0 HA ILE A 19 5.189 10.417 2.249 1.00 0.00 H new ATOM 0 HB ILE A 19 3.618 9.711 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.354 8.696 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.854 7.886 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.638 10.351 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.922 11.747 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.396 10.983 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.001 6.737 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.449 7.403 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.972 8.225 -1.662 1.00 0.00 H new ATOM 325 N SER A 20 2.554 12.294 1.446 1.00 0.00 N ATOM 326 CA SER A 20 2.065 13.692 1.613 1.00 0.00 C ATOM 327 C SER A 20 2.063 14.301 3.064 1.00 0.00 C ATOM 328 O SER A 20 2.245 15.513 3.186 1.00 0.00 O ATOM 329 CB SER A 20 0.647 13.776 0.998 1.00 0.00 C ATOM 330 OG SER A 20 0.174 15.124 0.960 1.00 0.00 O ATOM 0 H SER A 20 1.838 11.640 1.129 1.00 0.00 H new ATOM 0 HA SER A 20 2.800 14.311 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.662 13.365 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.041 13.164 1.581 1.00 0.00 H new ATOM 0 HG SER A 20 -0.723 15.145 0.565 1.00 0.00 H new ATOM 336 N GLN A 21 1.819 13.511 4.117 1.00 0.00 N ATOM 337 CA GLN A 21 1.956 13.964 5.524 1.00 0.00 C ATOM 338 C GLN A 21 3.429 13.916 6.091 1.00 0.00 C ATOM 339 O GLN A 21 3.842 14.878 6.739 1.00 0.00 O ATOM 340 CB GLN A 21 1.005 13.146 6.444 1.00 0.00 C ATOM 341 CG GLN A 21 -0.482 13.561 6.431 1.00 0.00 C ATOM 342 CD GLN A 21 -1.381 12.888 5.413 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.868 11.778 5.605 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.671 13.528 4.308 1.00 0.00 N ATOM 0 H GLN A 21 1.521 12.540 4.027 1.00 0.00 H new ATOM 0 HA GLN A 21 1.676 15.017 5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.070 12.097 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.372 13.220 7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.894 13.372 7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.531 14.637 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.274 14.451 4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.294 13.103 3.621 1.00 0.00 H new ATOM 353 N THR A 22 4.170 12.815 5.900 1.00 0.00 N ATOM 354 CA THR A 22 5.538 12.641 6.473 1.00 0.00 C ATOM 355 C THR A 22 6.754 12.842 5.494 1.00 0.00 C ATOM 356 O THR A 22 7.867 13.066 5.976 1.00 0.00 O ATOM 357 CB THR A 22 5.713 11.238 7.172 1.00 0.00 C ATOM 358 OG1 THR A 22 5.726 10.151 6.250 1.00 0.00 O ATOM 359 CG2 THR A 22 4.680 10.911 8.245 1.00 0.00 C ATOM 0 H THR A 22 3.852 12.017 5.349 1.00 0.00 H new ATOM 0 HA THR A 22 5.579 13.462 7.189 1.00 0.00 H new ATOM 0 HB THR A 22 6.685 11.347 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.213 10.393 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.889 9.926 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.728 11.659 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.683 10.914 7.804 1.00 0.00 H new ATOM 367 N GLY A 23 6.582 12.676 4.176 1.00 0.00 N ATOM 368 CA GLY A 23 7.712 12.404 3.246 1.00 0.00 C ATOM 369 C GLY A 23 8.032 10.918 2.934 1.00 0.00 C ATOM 370 O GLY A 23 8.475 10.611 1.827 1.00 0.00 O ATOM 0 H GLY A 23 5.672 12.724 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.503 12.910 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.609 12.863 3.661 1.00 0.00 H new ATOM 374 N MET A 24 7.853 10.025 3.908 1.00 0.00 N ATOM 375 CA MET A 24 8.302 8.619 3.835 1.00 0.00 C ATOM 376 C MET A 24 7.203 7.612 3.325 1.00 0.00 C ATOM 377 O MET A 24 6.012 7.869 3.532 1.00 0.00 O ATOM 378 CB MET A 24 8.721 8.173 5.271 1.00 0.00 C ATOM 379 CG MET A 24 9.950 8.857 5.882 1.00 0.00 C ATOM 380 SD MET A 24 9.570 10.533 6.416 1.00 0.00 S ATOM 381 CE MET A 24 11.194 11.021 7.016 1.00 0.00 C ATOM 0 H MET A 24 7.386 10.253 4.786 1.00 0.00 H new ATOM 0 HA MET A 24 9.120 8.589 3.115 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.875 8.339 5.938 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.906 7.099 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.308 8.275 6.731 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.757 8.881 5.150 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.151 12.044 7.390 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.501 10.353 7.821 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.916 10.963 6.201 1.00 0.00 H new ATOM 391 N PRO A 25 7.536 6.435 2.721 1.00 0.00 N ATOM 392 CA PRO A 25 6.522 5.366 2.449 1.00 0.00 C ATOM 393 C PRO A 25 5.995 4.617 3.720 1.00 0.00 C ATOM 394 O PRO A 25 6.734 4.528 4.705 1.00 0.00 O ATOM 395 CB PRO A 25 7.307 4.434 1.492 1.00 0.00 C ATOM 396 CG PRO A 25 8.784 4.579 1.923 1.00 0.00 C ATOM 397 CD PRO A 25 8.908 6.061 2.314 1.00 0.00 C ATOM 0 HA PRO A 25 5.595 5.767 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.969 3.401 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.168 4.728 0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.023 3.923 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.465 4.321 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.619 6.202 3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.257 6.667 1.478 1.00 0.00 H new ATOM 405 N PRO A 26 4.761 4.056 3.771 1.00 0.00 N ATOM 406 CA PRO A 26 4.258 3.361 5.003 1.00 0.00 C ATOM 407 C PRO A 26 4.685 1.871 5.141 1.00 0.00 C ATOM 408 O PRO A 26 4.745 1.116 4.165 1.00 0.00 O ATOM 409 CB PRO A 26 2.728 3.541 4.829 1.00 0.00 C ATOM 410 CG PRO A 26 2.505 3.498 3.303 1.00 0.00 C ATOM 411 CD PRO A 26 3.730 4.224 2.724 1.00 0.00 C ATOM 0 HA PRO A 26 4.670 3.774 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.175 2.748 5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.389 4.486 5.253 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.440 2.473 2.938 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.577 3.996 3.022 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.045 3.786 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.519 5.276 2.534 1.00 0.00 H new ATOM 419 N THR A 27 4.930 1.440 6.384 1.00 0.00 N ATOM 420 CA THR A 27 5.141 -0.002 6.712 1.00 0.00 C ATOM 421 C THR A 27 3.789 -0.814 6.736 1.00 0.00 C ATOM 422 O THR A 27 2.719 -0.245 6.965 1.00 0.00 O ATOM 423 CB THR A 27 5.827 -0.193 8.115 1.00 0.00 C ATOM 424 OG1 THR A 27 4.995 0.254 9.181 1.00 0.00 O ATOM 425 CG2 THR A 27 7.169 0.488 8.317 1.00 0.00 C ATOM 0 H THR A 27 4.990 2.060 7.191 1.00 0.00 H new ATOM 0 HA THR A 27 5.788 -0.381 5.921 1.00 0.00 H new ATOM 0 HB THR A 27 5.993 -1.270 8.127 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.220 1.181 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.535 0.280 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.883 0.110 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.054 1.564 8.189 1.00 0.00 H new ATOM 433 N ARG A 28 3.840 -2.149 6.637 1.00 0.00 N ATOM 434 CA ARG A 28 2.676 -3.029 7.000 1.00 0.00 C ATOM 435 C ARG A 28 1.981 -2.824 8.398 1.00 0.00 C ATOM 436 O ARG A 28 0.775 -3.050 8.508 1.00 0.00 O ATOM 437 CB ARG A 28 3.075 -4.496 6.725 1.00 0.00 C ATOM 438 CG ARG A 28 4.144 -5.093 7.665 1.00 0.00 C ATOM 439 CD ARG A 28 5.111 -6.065 6.974 1.00 0.00 C ATOM 440 NE ARG A 28 6.006 -5.297 6.073 1.00 0.00 N ATOM 441 CZ ARG A 28 6.921 -5.806 5.269 1.00 0.00 C ATOM 442 NH1 ARG A 28 7.201 -7.072 5.178 1.00 0.00 N ATOM 443 NH2 ARG A 28 7.581 -4.986 4.530 1.00 0.00 N ATOM 0 H ARG A 28 4.661 -2.659 6.312 1.00 0.00 H new ATOM 0 HA ARG A 28 1.860 -2.706 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.179 -5.113 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.440 -4.567 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.718 -4.279 8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.645 -5.613 8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.698 -6.604 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.554 -6.810 6.406 1.00 0.00 H new ATOM 0 HE ARG A 28 5.905 -4.282 6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.698 -7.748 5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.923 -7.389 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.388 -3.986 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.297 -5.336 3.894 1.00 0.00 H new ATOM 456 N ALA A 29 2.716 -2.348 9.418 1.00 0.00 N ATOM 457 CA ALA A 29 2.115 -1.782 10.651 1.00 0.00 C ATOM 458 C ALA A 29 1.336 -0.426 10.508 1.00 0.00 C ATOM 459 O ALA A 29 0.312 -0.274 11.173 1.00 0.00 O ATOM 460 CB ALA A 29 3.255 -1.674 11.676 1.00 0.00 C ATOM 0 H ALA A 29 3.736 -2.342 9.417 1.00 0.00 H new ATOM 0 HA ALA A 29 1.319 -2.458 10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.869 -1.261 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.671 -2.664 11.863 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.035 -1.020 11.285 1.00 0.00 H new ATOM 466 N GLU A 30 1.767 0.526 9.657 1.00 0.00 N ATOM 467 CA GLU A 30 0.895 1.662 9.224 1.00 0.00 C ATOM 468 C GLU A 30 -0.400 1.229 8.434 1.00 0.00 C ATOM 469 O GLU A 30 -1.477 1.719 8.776 1.00 0.00 O ATOM 470 CB GLU A 30 1.692 2.696 8.387 1.00 0.00 C ATOM 471 CG GLU A 30 2.516 3.734 9.167 1.00 0.00 C ATOM 472 CD GLU A 30 3.799 3.242 9.798 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.788 2.904 9.156 1.00 0.00 O ATOM 474 OE2 GLU A 30 3.736 3.217 11.156 1.00 0.00 O ATOM 0 H GLU A 30 2.703 0.541 9.253 1.00 0.00 H new ATOM 0 HA GLU A 30 0.553 2.116 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.368 2.151 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.989 3.231 7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.761 4.553 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.886 4.148 9.954 1.00 0.00 H new ATOM 482 N ILE A 31 -0.309 0.313 7.449 1.00 0.00 N ATOM 483 CA ILE A 31 -1.509 -0.299 6.792 1.00 0.00 C ATOM 484 C ILE A 31 -2.483 -0.989 7.828 1.00 0.00 C ATOM 485 O ILE A 31 -3.664 -0.638 7.848 1.00 0.00 O ATOM 486 CB ILE A 31 -1.116 -1.204 5.571 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.496 -0.464 4.344 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.367 -1.906 4.953 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.939 0.018 4.459 1.00 0.00 C ATOM 0 H ILE A 31 0.580 -0.028 7.082 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.095 0.516 6.366 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.385 -1.875 6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.557 -1.131 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.123 0.400 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.058 -2.524 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.842 -2.533 5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.075 -1.152 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.232 0.512 3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.021 0.722 5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.595 -0.833 4.640 1.00 0.00 H new ATOM 501 N ALA A 32 -2.000 -1.899 8.688 1.00 0.00 N ATOM 502 CA ALA A 32 -2.834 -2.514 9.749 1.00 0.00 C ATOM 503 C ALA A 32 -3.450 -1.582 10.846 1.00 0.00 C ATOM 504 O ALA A 32 -4.617 -1.775 11.190 1.00 0.00 O ATOM 505 CB ALA A 32 -2.005 -3.655 10.359 1.00 0.00 C ATOM 0 H ALA A 32 -1.035 -2.230 8.675 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.744 -2.858 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.579 -4.140 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.764 -4.384 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.083 -3.251 10.777 1.00 0.00 H new ATOM 511 N GLN A 33 -2.700 -0.608 11.380 1.00 0.00 N ATOM 512 CA GLN A 33 -3.209 0.322 12.427 1.00 0.00 C ATOM 513 C GLN A 33 -4.133 1.480 11.905 1.00 0.00 C ATOM 514 O GLN A 33 -5.187 1.706 12.500 1.00 0.00 O ATOM 515 CB GLN A 33 -2.012 0.919 13.219 1.00 0.00 C ATOM 516 CG GLN A 33 -1.241 -0.101 14.088 1.00 0.00 C ATOM 517 CD GLN A 33 -0.007 0.477 14.763 1.00 0.00 C ATOM 518 OE1 GLN A 33 0.007 0.805 15.941 1.00 0.00 O ATOM 519 NE2 GLN A 33 1.080 0.621 14.047 1.00 0.00 N ATOM 0 H GLN A 33 -1.732 -0.434 11.110 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.848 -0.285 13.069 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.317 1.373 12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.381 1.718 13.862 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.912 -0.493 14.852 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.942 -0.943 13.464 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.082 0.351 13.063 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.924 1.003 14.473 1.00 0.00 H new ATOM 528 N ARG A 34 -3.747 2.211 10.846 1.00 0.00 N ATOM 529 CA ARG A 34 -4.575 3.327 10.289 1.00 0.00 C ATOM 530 C ARG A 34 -5.889 2.893 9.557 1.00 0.00 C ATOM 531 O ARG A 34 -6.921 3.536 9.755 1.00 0.00 O ATOM 532 CB ARG A 34 -3.618 4.178 9.417 1.00 0.00 C ATOM 533 CG ARG A 34 -4.178 5.529 8.927 1.00 0.00 C ATOM 534 CD ARG A 34 -3.091 6.342 8.201 1.00 0.00 C ATOM 535 NE ARG A 34 -3.682 7.589 7.668 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.016 8.560 7.060 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.735 8.555 6.830 1.00 0.00 N ATOM 538 NH2 ARG A 34 -3.689 9.590 6.678 1.00 0.00 N ATOM 0 H ARG A 34 -2.869 2.060 10.349 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.987 3.916 11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.709 4.369 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.330 3.589 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.019 5.357 8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.559 6.099 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.278 6.577 8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.663 5.754 7.389 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.689 7.712 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.167 7.761 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.299 9.345 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.694 9.634 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.217 10.361 6.206 1.00 0.00 H new ATOM 551 N LEU A 35 -5.862 1.829 8.741 1.00 0.00 N ATOM 552 CA LEU A 35 -7.088 1.276 8.096 1.00 0.00 C ATOM 553 C LEU A 35 -7.868 0.157 8.893 1.00 0.00 C ATOM 554 O LEU A 35 -9.027 -0.102 8.557 1.00 0.00 O ATOM 555 CB LEU A 35 -6.703 0.735 6.691 1.00 0.00 C ATOM 556 CG LEU A 35 -6.214 1.787 5.669 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.660 1.073 4.430 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.319 2.760 5.253 1.00 0.00 C ATOM 0 H LEU A 35 -5.008 1.325 8.504 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.789 2.110 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.921 -0.014 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.569 0.225 6.270 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.433 2.375 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.315 1.813 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.827 0.433 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.444 0.465 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.921 3.477 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.139 2.206 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.685 3.292 6.131 1.00 0.00 H new ATOM 570 N GLY A 36 -7.258 -0.499 9.892 1.00 0.00 N ATOM 571 CA GLY A 36 -7.946 -1.504 10.740 1.00 0.00 C ATOM 572 C GLY A 36 -8.069 -2.924 10.168 1.00 0.00 C ATOM 573 O GLY A 36 -9.185 -3.410 9.977 1.00 0.00 O ATOM 0 H GLY A 36 -6.279 -0.354 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.417 -1.565 11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.949 -1.137 10.956 1.00 0.00 H new ATOM 577 N PHE A 37 -6.937 -3.592 9.922 1.00 0.00 N ATOM 578 CA PHE A 37 -6.931 -4.964 9.352 1.00 0.00 C ATOM 579 C PHE A 37 -6.945 -6.083 10.444 1.00 0.00 C ATOM 580 O PHE A 37 -6.326 -5.979 11.505 1.00 0.00 O ATOM 581 CB PHE A 37 -5.689 -5.162 8.434 1.00 0.00 C ATOM 582 CG PHE A 37 -5.866 -4.591 7.023 1.00 0.00 C ATOM 583 CD1 PHE A 37 -5.532 -3.262 6.724 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.409 -5.393 6.011 1.00 0.00 C ATOM 585 CE1 PHE A 37 -5.729 -2.754 5.438 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.621 -4.877 4.734 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.266 -3.563 4.443 1.00 0.00 C ATOM 0 H PHE A 37 -6.008 -3.214 10.105 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.851 -5.059 8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.825 -4.690 8.901 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.470 -6.227 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.119 -2.627 7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.666 -6.421 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.464 -1.731 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.062 -5.498 3.968 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.407 -3.173 3.446 1.00 0.00 H new ATOM 597 N ARG A 38 -7.580 -7.201 10.089 1.00 0.00 N ATOM 598 CA ARG A 38 -7.653 -8.426 10.927 1.00 0.00 C ATOM 599 C ARG A 38 -6.275 -9.090 11.316 1.00 0.00 C ATOM 600 O ARG A 38 -6.149 -9.612 12.424 1.00 0.00 O ATOM 601 CB ARG A 38 -8.539 -9.444 10.158 1.00 0.00 C ATOM 602 CG ARG A 38 -10.057 -9.180 10.069 1.00 0.00 C ATOM 603 CD ARG A 38 -10.560 -7.873 9.441 1.00 0.00 C ATOM 604 NE ARG A 38 -10.090 -7.683 8.045 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.181 -6.552 7.356 1.00 0.00 C ATOM 606 NH1 ARG A 38 -10.667 -5.440 7.819 1.00 0.00 N ATOM 607 NH2 ARG A 38 -9.745 -6.549 6.144 1.00 0.00 N ATOM 0 H ARG A 38 -8.070 -7.295 9.199 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.070 -8.128 11.889 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.155 -9.515 9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.399 -10.421 10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.500 -10.003 9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.458 -9.232 11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.650 -7.865 9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.226 -7.032 10.049 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.664 -8.484 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.013 -5.395 8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.702 -4.612 7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.346 -7.398 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.799 -5.698 5.585 1.00 0.00 H new ATOM 620 N SER A 39 -5.275 -9.060 10.419 1.00 0.00 N ATOM 621 CA SER A 39 -3.872 -9.397 10.763 1.00 0.00 C ATOM 622 C SER A 39 -2.842 -8.516 9.956 1.00 0.00 C ATOM 623 O SER A 39 -3.117 -8.201 8.791 1.00 0.00 O ATOM 624 CB SER A 39 -3.635 -10.899 10.461 1.00 0.00 C ATOM 625 OG SER A 39 -2.337 -11.306 10.894 1.00 0.00 O ATOM 0 H SER A 39 -5.409 -8.804 9.441 1.00 0.00 H new ATOM 0 HA SER A 39 -3.714 -9.190 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.395 -11.499 10.962 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.740 -11.080 9.391 1.00 0.00 H new ATOM 0 HG SER A 39 -2.014 -12.033 10.322 1.00 0.00 H new ATOM 631 N PRO A 40 -1.621 -8.180 10.462 1.00 0.00 N ATOM 632 CA PRO A 40 -0.493 -7.655 9.609 1.00 0.00 C ATOM 633 C PRO A 40 -0.121 -8.398 8.292 1.00 0.00 C ATOM 634 O PRO A 40 0.266 -7.744 7.321 1.00 0.00 O ATOM 635 CB PRO A 40 0.691 -7.604 10.613 1.00 0.00 C ATOM 636 CG PRO A 40 0.007 -7.409 11.985 1.00 0.00 C ATOM 637 CD PRO A 40 -1.253 -8.287 11.890 1.00 0.00 C ATOM 0 HA PRO A 40 -0.797 -6.705 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.278 -8.522 10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.372 -6.784 10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.654 -7.724 12.804 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.245 -6.364 12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.050 -9.318 12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.049 -7.924 12.541 1.00 0.00 H new ATOM 645 N ASN A 41 -0.264 -9.734 8.237 1.00 0.00 N ATOM 646 CA ASN A 41 -0.202 -10.493 6.958 1.00 0.00 C ATOM 647 C ASN A 41 -1.349 -10.218 5.923 1.00 0.00 C ATOM 648 O ASN A 41 -1.056 -10.185 4.731 1.00 0.00 O ATOM 649 CB ASN A 41 0.040 -11.995 7.228 1.00 0.00 C ATOM 650 CG ASN A 41 -1.087 -12.805 7.837 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.297 -12.820 9.043 1.00 0.00 O ATOM 652 ND2 ASN A 41 -1.854 -13.513 7.050 1.00 0.00 N ATOM 0 H ASN A 41 -0.423 -10.317 9.058 1.00 0.00 H new ATOM 0 HA ASN A 41 0.663 -10.090 6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.313 -12.463 6.282 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.904 -12.080 7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.615 -14.067 7.443 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.692 -13.511 6.043 1.00 0.00 H new ATOM 659 N ALA A 42 -2.606 -10.004 6.353 1.00 0.00 N ATOM 660 CA ALA A 42 -3.679 -9.477 5.461 1.00 0.00 C ATOM 661 C ALA A 42 -3.462 -8.022 4.913 1.00 0.00 C ATOM 662 O ALA A 42 -3.656 -7.794 3.718 1.00 0.00 O ATOM 663 CB ALA A 42 -5.003 -9.609 6.228 1.00 0.00 C ATOM 0 H ALA A 42 -2.913 -10.185 7.309 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.674 -10.072 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.820 -9.234 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.181 -10.657 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.949 -9.030 7.150 1.00 0.00 H new ATOM 669 N ALA A 43 -3.003 -7.085 5.758 1.00 0.00 N ATOM 670 CA ALA A 43 -2.445 -5.782 5.310 1.00 0.00 C ATOM 671 C ALA A 43 -1.306 -5.832 4.228 1.00 0.00 C ATOM 672 O ALA A 43 -1.410 -5.153 3.204 1.00 0.00 O ATOM 673 CB ALA A 43 -1.984 -5.090 6.604 1.00 0.00 C ATOM 0 H ALA A 43 -3.005 -7.201 6.771 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.218 -5.236 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.557 -4.116 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.837 -4.958 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.231 -5.705 7.097 1.00 0.00 H new ATOM 679 N GLU A 44 -0.268 -6.660 4.434 1.00 0.00 N ATOM 680 CA GLU A 44 0.772 -6.930 3.400 1.00 0.00 C ATOM 681 C GLU A 44 0.290 -7.735 2.129 1.00 0.00 C ATOM 682 O GLU A 44 0.763 -7.449 1.030 1.00 0.00 O ATOM 683 CB GLU A 44 1.981 -7.597 4.109 1.00 0.00 C ATOM 684 CG GLU A 44 3.376 -7.209 3.574 1.00 0.00 C ATOM 685 CD GLU A 44 3.718 -7.593 2.152 1.00 0.00 C ATOM 686 OE1 GLU A 44 3.981 -6.786 1.268 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.693 -8.938 1.962 1.00 0.00 O ATOM 0 H GLU A 44 -0.118 -7.161 5.309 1.00 0.00 H new ATOM 0 HA GLU A 44 1.055 -5.972 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.938 -7.348 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.871 -8.679 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.480 -6.128 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.123 -7.656 4.230 1.00 0.00 H new ATOM 695 N GLU A 45 -0.649 -8.687 2.247 1.00 0.00 N ATOM 696 CA GLU A 45 -1.295 -9.360 1.078 1.00 0.00 C ATOM 697 C GLU A 45 -2.028 -8.423 0.057 1.00 0.00 C ATOM 698 O GLU A 45 -1.799 -8.563 -1.147 1.00 0.00 O ATOM 699 CB GLU A 45 -2.232 -10.456 1.649 1.00 0.00 C ATOM 700 CG GLU A 45 -2.750 -11.499 0.639 1.00 0.00 C ATOM 701 CD GLU A 45 -1.718 -12.530 0.216 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.462 -13.542 0.859 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.102 -12.204 -0.951 1.00 0.00 O ATOM 0 H GLU A 45 -0.991 -9.021 3.148 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.502 -9.782 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.701 -10.981 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.091 -9.967 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.604 -12.016 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.111 -10.979 -0.248 1.00 0.00 H new ATOM 711 N HIS A 46 -2.856 -7.468 0.515 1.00 0.00 N ATOM 712 CA HIS A 46 -3.388 -6.389 -0.370 1.00 0.00 C ATOM 713 C HIS A 46 -2.305 -5.418 -0.971 1.00 0.00 C ATOM 714 O HIS A 46 -2.412 -5.083 -2.149 1.00 0.00 O ATOM 715 CB HIS A 46 -4.482 -5.574 0.355 1.00 0.00 C ATOM 716 CG HIS A 46 -5.802 -6.320 0.562 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.722 -6.565 -0.446 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.264 -6.832 1.780 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.681 -7.221 0.278 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.499 -7.421 1.618 1.00 0.00 N ATOM 0 H HIS A 46 -3.175 -7.411 1.482 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.810 -6.919 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.100 -5.262 1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.679 -4.667 -0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.728 -6.774 2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.577 -7.579 -0.207 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.104 -7.876 2.302 1.00 0.00 H new ATOM 728 N LEU A 47 -1.273 -5.024 -0.205 1.00 0.00 N ATOM 729 CA LEU A 47 -0.050 -4.361 -0.757 1.00 0.00 C ATOM 730 C LEU A 47 0.680 -5.130 -1.913 1.00 0.00 C ATOM 731 O LEU A 47 0.942 -4.527 -2.954 1.00 0.00 O ATOM 732 CB LEU A 47 0.853 -4.071 0.467 1.00 0.00 C ATOM 733 CG LEU A 47 2.107 -3.204 0.239 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.757 -1.765 -0.136 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.938 -3.186 1.537 1.00 0.00 C ATOM 0 H LEU A 47 -1.250 -5.149 0.807 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.334 -3.445 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.242 -3.585 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.176 -5.027 0.880 1.00 0.00 H new ATOM 0 HG LEU A 47 2.667 -3.639 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.674 -1.195 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.172 -1.761 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.175 -1.311 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.829 -2.576 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.340 -2.766 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.233 -4.203 1.794 1.00 0.00 H new ATOM 747 N LYS A 48 0.935 -6.440 -1.788 1.00 0.00 N ATOM 748 CA LYS A 48 1.369 -7.287 -2.935 1.00 0.00 C ATOM 749 C LYS A 48 0.383 -7.366 -4.165 1.00 0.00 C ATOM 750 O LYS A 48 0.864 -7.397 -5.296 1.00 0.00 O ATOM 751 CB LYS A 48 1.682 -8.720 -2.430 1.00 0.00 C ATOM 752 CG LYS A 48 2.851 -8.810 -1.432 1.00 0.00 C ATOM 753 CD LYS A 48 3.212 -10.248 -1.035 1.00 0.00 C ATOM 754 CE LYS A 48 2.148 -10.955 -0.195 1.00 0.00 C ATOM 755 NZ LYS A 48 2.630 -12.292 0.199 1.00 0.00 N ATOM 0 H LYS A 48 0.851 -6.947 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 48 2.254 -6.785 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.788 -9.128 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.906 -9.352 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.728 -8.332 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.595 -8.248 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.389 -10.829 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.148 -10.234 -0.477 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.920 -10.364 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.223 -11.045 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.903 -12.769 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.826 -12.855 -0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.502 -12.196 0.758 1.00 0.00 H new ATOM 768 N ALA A 49 -0.944 -7.361 -3.961 1.00 0.00 N ATOM 769 CA ALA A 49 -1.930 -7.198 -5.064 1.00 0.00 C ATOM 770 C ALA A 49 -2.003 -5.813 -5.815 1.00 0.00 C ATOM 771 O ALA A 49 -2.514 -5.770 -6.936 1.00 0.00 O ATOM 772 CB ALA A 49 -3.293 -7.579 -4.465 1.00 0.00 C ATOM 0 H ALA A 49 -1.370 -7.468 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.594 -7.844 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.066 -7.480 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.260 -8.610 -4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.521 -6.917 -3.629 1.00 0.00 H new ATOM 778 N LEU A 50 -1.486 -4.714 -5.244 1.00 0.00 N ATOM 779 CA LEU A 50 -1.114 -3.495 -6.023 1.00 0.00 C ATOM 780 C LEU A 50 0.075 -3.734 -7.055 1.00 0.00 C ATOM 781 O LEU A 50 -0.017 -3.317 -8.213 1.00 0.00 O ATOM 782 CB LEU A 50 -0.732 -2.356 -5.040 1.00 0.00 C ATOM 783 CG LEU A 50 -1.851 -1.503 -4.417 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.731 -2.262 -3.434 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.199 -0.334 -3.645 1.00 0.00 C ATOM 0 H LEU A 50 -1.311 -4.632 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.986 -3.222 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.165 -2.802 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.057 -1.681 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.485 -1.174 -5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.495 -1.593 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.209 -3.098 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.119 -2.639 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.976 0.284 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.552 -0.731 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.607 0.271 -4.332 1.00 0.00 H new ATOM 797 N ALA A 51 1.157 -4.403 -6.631 1.00 0.00 N ATOM 798 CA ALA A 51 2.161 -4.979 -7.562 1.00 0.00 C ATOM 799 C ALA A 51 1.648 -6.212 -8.387 1.00 0.00 C ATOM 800 O ALA A 51 0.504 -6.650 -8.239 1.00 0.00 O ATOM 801 CB ALA A 51 3.345 -5.335 -6.654 1.00 0.00 C ATOM 0 H ALA A 51 1.367 -4.564 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 51 2.422 -4.267 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.145 -5.771 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.710 -4.433 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.023 -6.054 -5.901 1.00 0.00 H new ATOM 807 N ARG A 52 2.476 -6.722 -9.318 1.00 0.00 N ATOM 808 CA ARG A 52 2.084 -7.798 -10.290 1.00 0.00 C ATOM 809 C ARG A 52 1.170 -7.271 -11.464 1.00 0.00 C ATOM 810 O ARG A 52 1.530 -7.408 -12.632 1.00 0.00 O ATOM 811 CB ARG A 52 1.549 -9.122 -9.691 1.00 0.00 C ATOM 812 CG ARG A 52 2.500 -9.962 -8.818 1.00 0.00 C ATOM 813 CD ARG A 52 2.788 -9.380 -7.430 1.00 0.00 C ATOM 814 NE ARG A 52 3.366 -10.415 -6.538 1.00 0.00 N ATOM 815 CZ ARG A 52 2.689 -11.151 -5.671 1.00 0.00 C ATOM 816 NH1 ARG A 52 1.404 -11.073 -5.482 1.00 0.00 N ATOM 817 NH2 ARG A 52 3.356 -12.006 -4.975 1.00 0.00 N ATOM 0 H ARG A 52 3.440 -6.409 -9.430 1.00 0.00 H new ATOM 0 HA ARG A 52 3.048 -8.082 -10.712 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.669 -8.885 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.213 -9.749 -10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.073 -10.958 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.445 -10.082 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.479 -8.541 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.867 -8.991 -6.995 1.00 0.00 H new ATOM 0 HE ARG A 52 4.372 -10.573 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.848 -10.410 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.952 -11.675 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.364 -12.094 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.876 -12.595 -4.294 1.00 0.00 H new ATOM 830 N LYS A 53 0.048 -6.623 -11.123 1.00 0.00 N ATOM 831 CA LYS A 53 -0.640 -5.648 -12.024 1.00 0.00 C ATOM 832 C LYS A 53 0.245 -4.406 -12.387 1.00 0.00 C ATOM 833 O LYS A 53 0.481 -4.168 -13.572 1.00 0.00 O ATOM 834 CB LYS A 53 -1.981 -5.325 -11.321 1.00 0.00 C ATOM 835 CG LYS A 53 -3.017 -4.492 -12.088 1.00 0.00 C ATOM 836 CD LYS A 53 -2.770 -2.986 -12.228 1.00 0.00 C ATOM 837 CE LYS A 53 -2.564 -2.177 -10.942 1.00 0.00 C ATOM 838 NZ LYS A 53 -3.777 -2.148 -10.102 1.00 0.00 N ATOM 0 H LYS A 53 -0.417 -6.749 -10.224 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.830 -6.066 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.450 -6.270 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.753 -4.801 -10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.105 -4.910 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.982 -4.628 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.890 -2.847 -12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.616 -2.555 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.740 -2.607 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.277 -1.157 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.592 -1.590 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.558 -1.714 -10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.037 -3.119 -9.835 1.00 0.00 H new ATOM 851 N GLY A 54 0.746 -3.651 -11.391 1.00 0.00 N ATOM 852 CA GLY A 54 1.764 -2.596 -11.621 1.00 0.00 C ATOM 853 C GLY A 54 1.454 -1.175 -11.126 1.00 0.00 C ATOM 854 O GLY A 54 1.639 -0.222 -11.884 1.00 0.00 O ATOM 0 H GLY A 54 0.465 -3.749 -10.415 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.692 -2.919 -11.149 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.953 -2.542 -12.693 1.00 0.00 H new ATOM 858 N VAL A 55 1.082 -1.014 -9.852 1.00 0.00 N ATOM 859 CA VAL A 55 1.002 0.324 -9.188 1.00 0.00 C ATOM 860 C VAL A 55 1.993 0.547 -7.993 1.00 0.00 C ATOM 861 O VAL A 55 2.269 1.711 -7.703 1.00 0.00 O ATOM 862 CB VAL A 55 -0.476 0.731 -8.924 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.246 -0.092 -7.888 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.619 2.208 -8.527 1.00 0.00 C ATOM 0 H VAL A 55 0.826 -1.791 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 55 1.392 1.046 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.925 0.525 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.262 0.294 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.280 -1.135 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.745 -0.022 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.670 2.438 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.052 2.396 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.236 2.839 -9.329 1.00 0.00 H new ATOM 874 N ILE A 56 2.556 -0.477 -7.328 1.00 0.00 N ATOM 875 CA ILE A 56 3.665 -0.273 -6.337 1.00 0.00 C ATOM 876 C ILE A 56 4.882 -1.239 -6.560 1.00 0.00 C ATOM 877 O ILE A 56 4.744 -2.353 -7.074 1.00 0.00 O ATOM 878 CB ILE A 56 3.212 -0.271 -4.829 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.615 -1.586 -4.287 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.270 0.916 -4.525 1.00 0.00 C ATOM 881 CD1 ILE A 56 3.633 -2.546 -3.672 1.00 0.00 C ATOM 0 H ILE A 56 2.276 -1.451 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 56 4.005 0.741 -6.547 1.00 0.00 H new ATOM 0 HB ILE A 56 4.151 -0.157 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.864 -1.345 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.100 -2.097 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.976 0.888 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.787 1.853 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.382 0.846 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.122 -3.441 -3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.372 -2.823 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.132 -2.059 -2.834 1.00 0.00 H new ATOM 893 N GLU A 57 6.065 -0.816 -6.092 1.00 0.00 N ATOM 894 CA GLU A 57 7.207 -1.738 -5.845 1.00 0.00 C ATOM 895 C GLU A 57 7.092 -2.435 -4.450 1.00 0.00 C ATOM 896 O GLU A 57 6.975 -1.769 -3.417 1.00 0.00 O ATOM 897 CB GLU A 57 8.491 -0.879 -5.944 1.00 0.00 C ATOM 898 CG GLU A 57 9.845 -1.570 -5.676 1.00 0.00 C ATOM 899 CD GLU A 57 10.199 -2.720 -6.596 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.484 -2.568 -7.780 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.157 -3.932 -5.964 1.00 0.00 O ATOM 0 H GLU A 57 6.266 0.160 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 57 7.220 -2.545 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.528 -0.447 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.394 -0.050 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.633 -0.820 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.845 -1.939 -4.650 1.00 0.00 H new ATOM 909 N ILE A 58 7.192 -3.771 -4.424 1.00 0.00 N ATOM 910 CA ILE A 58 7.308 -4.543 -3.147 1.00 0.00 C ATOM 911 C ILE A 58 8.757 -4.351 -2.555 1.00 0.00 C ATOM 912 O ILE A 58 9.761 -4.451 -3.271 1.00 0.00 O ATOM 913 CB ILE A 58 6.974 -6.074 -3.359 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.552 -6.304 -3.949 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.066 -6.867 -2.023 1.00 0.00 C ATOM 916 CD1 ILE A 58 5.310 -7.712 -4.500 1.00 0.00 C ATOM 0 H ILE A 58 7.196 -4.352 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 58 6.576 -4.159 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 58 7.719 -6.434 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.814 -6.100 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.383 -5.582 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.830 -7.916 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.076 -6.787 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.356 -6.455 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.294 -7.781 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.021 -7.916 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.442 -8.443 -3.702 1.00 0.00 H new ATOM 928 N VAL A 59 8.835 -4.085 -1.250 1.00 0.00 N ATOM 929 CA VAL A 59 10.127 -4.017 -0.511 1.00 0.00 C ATOM 930 C VAL A 59 10.626 -5.434 -0.076 1.00 0.00 C ATOM 931 O VAL A 59 9.989 -6.131 0.720 1.00 0.00 O ATOM 932 CB VAL A 59 10.008 -2.973 0.646 1.00 0.00 C ATOM 933 CG1 VAL A 59 8.995 -3.303 1.752 1.00 0.00 C ATOM 934 CG2 VAL A 59 11.377 -2.691 1.303 1.00 0.00 C ATOM 0 H VAL A 59 8.018 -3.909 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 59 10.916 -3.658 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 59 9.626 -2.090 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.000 -2.509 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.998 -3.388 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.267 -4.247 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.253 -1.961 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.780 -3.616 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.065 -2.297 0.555 1.00 0.00 H new ATOM 944 N SER A 60 11.785 -5.848 -0.604 1.00 0.00 N ATOM 945 CA SER A 60 12.379 -7.173 -0.293 1.00 0.00 C ATOM 946 C SER A 60 13.242 -7.144 1.009 1.00 0.00 C ATOM 947 O SER A 60 14.390 -6.689 1.003 1.00 0.00 O ATOM 948 CB SER A 60 13.220 -7.626 -1.517 1.00 0.00 C ATOM 949 OG SER A 60 12.394 -7.864 -2.656 1.00 0.00 O ATOM 0 H SER A 60 12.339 -5.288 -1.252 1.00 0.00 H new ATOM 0 HA SER A 60 11.578 -7.887 -0.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.960 -6.862 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.769 -8.534 -1.267 1.00 0.00 H new ATOM 0 HG SER A 60 12.951 -8.146 -3.411 1.00 0.00 H new ATOM 955 N GLY A 61 12.674 -7.628 2.123 1.00 0.00 N ATOM 956 CA GLY A 61 13.393 -7.679 3.425 1.00 0.00 C ATOM 957 C GLY A 61 13.060 -6.565 4.431 1.00 0.00 C ATOM 958 O GLY A 61 12.547 -6.849 5.514 1.00 0.00 O ATOM 0 H GLY A 61 11.722 -7.991 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.181 -8.639 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.464 -7.651 3.226 1.00 0.00 H new ATOM 962 N ALA A 62 13.387 -5.315 4.089 1.00 0.00 N ATOM 963 CA ALA A 62 13.090 -4.143 4.951 1.00 0.00 C ATOM 964 C ALA A 62 11.573 -3.767 5.076 1.00 0.00 C ATOM 965 O ALA A 62 10.742 -4.163 4.258 1.00 0.00 O ATOM 966 CB ALA A 62 13.926 -2.989 4.369 1.00 0.00 C ATOM 0 H ALA A 62 13.861 -5.077 3.218 1.00 0.00 H new ATOM 0 HA ALA A 62 13.353 -4.378 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.758 -2.086 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.983 -3.252 4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.630 -2.810 3.335 1.00 0.00 H new ATOM 972 N SER A 63 11.218 -3.002 6.116 1.00 0.00 N ATOM 973 CA SER A 63 9.792 -2.701 6.430 1.00 0.00 C ATOM 974 C SER A 63 9.054 -1.647 5.533 1.00 0.00 C ATOM 975 O SER A 63 7.868 -1.841 5.257 1.00 0.00 O ATOM 976 CB SER A 63 9.693 -2.307 7.928 1.00 0.00 C ATOM 977 OG SER A 63 10.190 -3.332 8.793 1.00 0.00 O ATOM 0 H SER A 63 11.886 -2.576 6.759 1.00 0.00 H new ATOM 0 HA SER A 63 9.255 -3.621 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.254 -1.388 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.653 -2.096 8.178 1.00 0.00 H new ATOM 0 HG SER A 63 10.110 -3.041 9.725 1.00 0.00 H new ATOM 983 N ARG A 64 9.712 -0.553 5.117 1.00 0.00 N ATOM 984 CA ARG A 64 9.085 0.514 4.296 1.00 0.00 C ATOM 985 C ARG A 64 9.991 0.951 3.098 1.00 0.00 C ATOM 986 O ARG A 64 10.909 1.762 3.231 1.00 0.00 O ATOM 987 CB ARG A 64 8.612 1.720 5.141 1.00 0.00 C ATOM 988 CG ARG A 64 9.604 2.395 6.104 1.00 0.00 C ATOM 989 CD ARG A 64 9.001 3.686 6.677 1.00 0.00 C ATOM 990 NE ARG A 64 9.858 4.212 7.760 1.00 0.00 N ATOM 991 CZ ARG A 64 9.629 5.328 8.432 1.00 0.00 C ATOM 992 NH1 ARG A 64 8.610 6.114 8.230 1.00 0.00 N ATOM 993 NH2 ARG A 64 10.479 5.656 9.344 1.00 0.00 N ATOM 0 H ARG A 64 10.692 -0.376 5.336 1.00 0.00 H new ATOM 0 HA ARG A 64 8.186 0.074 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.253 2.484 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.754 1.393 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.855 1.712 6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.532 2.621 5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.901 4.431 5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.999 3.490 7.059 1.00 0.00 H new ATOM 0 HE ARG A 64 10.688 3.674 8.008 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.922 5.884 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.500 6.960 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.289 5.063 9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.341 6.509 9.886 1.00 0.00 H new ATOM 1006 N GLY A 65 9.675 0.431 1.913 1.00 0.00 N ATOM 1007 CA GLY A 65 10.242 0.928 0.633 1.00 0.00 C ATOM 1008 C GLY A 65 9.237 0.862 -0.530 1.00 0.00 C ATOM 1009 O GLY A 65 9.441 0.107 -1.481 1.00 0.00 O ATOM 0 H GLY A 65 9.022 -0.344 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.573 1.958 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.124 0.340 0.379 1.00 0.00 H new ATOM 1013 N ILE A 66 8.156 1.642 -0.429 1.00 0.00 N ATOM 1014 CA ILE A 66 6.969 1.498 -1.316 1.00 0.00 C ATOM 1015 C ILE A 66 6.823 2.803 -2.176 1.00 0.00 C ATOM 1016 O ILE A 66 6.222 3.794 -1.748 1.00 0.00 O ATOM 1017 CB ILE A 66 5.665 1.200 -0.489 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.752 0.044 0.546 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.456 0.940 -1.420 1.00 0.00 C ATOM 1020 CD1 ILE A 66 6.142 -1.334 0.017 1.00 0.00 C ATOM 0 H ILE A 66 8.067 2.389 0.260 1.00 0.00 H new ATOM 0 HA ILE A 66 7.113 0.645 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 66 5.534 2.112 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.473 0.329 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.783 -0.044 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.570 0.737 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.279 1.818 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.666 0.081 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.165 -2.047 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.412 -1.660 -0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.128 -1.281 -0.445 1.00 0.00 H new ATOM 1032 N ARG A 67 7.350 2.769 -3.400 1.00 0.00 N ATOM 1033 CA ARG A 67 7.100 3.824 -4.417 1.00 0.00 C ATOM 1034 C ARG A 67 5.803 3.548 -5.244 1.00 0.00 C ATOM 1035 O ARG A 67 5.601 2.431 -5.730 1.00 0.00 O ATOM 1036 CB ARG A 67 8.349 4.005 -5.331 1.00 0.00 C ATOM 1037 CG ARG A 67 8.851 2.756 -6.073 1.00 0.00 C ATOM 1038 CD ARG A 67 9.956 3.044 -7.094 1.00 0.00 C ATOM 1039 NE ARG A 67 10.368 1.734 -7.654 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.140 1.549 -8.710 1.00 0.00 C ATOM 1041 NH1 ARG A 67 11.668 2.510 -9.410 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.380 0.334 -9.067 1.00 0.00 N ATOM 0 H ARG A 67 7.960 2.020 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 67 6.930 4.763 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.120 4.771 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.166 4.388 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.222 2.036 -5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.011 2.287 -6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.593 3.705 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.800 3.546 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 67 10.024 0.899 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.495 3.482 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.255 2.291 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.979 -0.441 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.971 0.148 -9.877 1.00 0.00 H new ATOM 1055 N LEU A 68 4.948 4.565 -5.423 1.00 0.00 N ATOM 1056 CA LEU A 68 3.817 4.495 -6.384 1.00 0.00 C ATOM 1057 C LEU A 68 4.278 4.696 -7.874 1.00 0.00 C ATOM 1058 O LEU A 68 4.950 5.670 -8.219 1.00 0.00 O ATOM 1059 CB LEU A 68 2.596 5.356 -5.982 1.00 0.00 C ATOM 1060 CG LEU A 68 2.672 6.805 -5.480 1.00 0.00 C ATOM 1061 CD1 LEU A 68 2.944 6.897 -3.974 1.00 0.00 C ATOM 1062 CD2 LEU A 68 3.623 7.720 -6.235 1.00 0.00 C ATOM 0 H LEU A 68 5.011 5.450 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 68 3.446 3.472 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.941 5.374 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.076 4.796 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 68 1.670 7.180 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.987 7.944 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.144 6.397 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.895 6.415 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.595 8.717 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.636 7.323 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.320 7.777 -7.281 1.00 0.00 H new ATOM 1074 N LEU A 69 3.930 3.731 -8.728 1.00 0.00 N ATOM 1075 CA LEU A 69 4.427 3.641 -10.129 1.00 0.00 C ATOM 1076 C LEU A 69 3.471 4.336 -11.154 1.00 0.00 C ATOM 1077 O LEU A 69 3.839 5.330 -11.782 1.00 0.00 O ATOM 1078 CB LEU A 69 4.716 2.157 -10.487 1.00 0.00 C ATOM 1079 CG LEU A 69 5.786 1.434 -9.636 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.783 -0.061 -9.991 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.195 1.992 -9.849 1.00 0.00 C ATOM 0 H LEU A 69 3.290 2.977 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 69 5.362 4.196 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.783 1.599 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.025 2.113 -11.531 1.00 0.00 H new ATOM 0 HG LEU A 69 5.528 1.594 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.535 -0.578 -9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.800 -0.483 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.012 -0.184 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.901 1.444 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.475 1.882 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.213 3.047 -9.577 1.00 0.00 H new