USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 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 5 THR OG1 : rot 160:sc= -0.081 USER MOD Set 1.2: A 8 GLN : amide:sc= 0.563 K(o=1.1,f=-6.2!) USER MOD Set 1.3: A 53 LYS NZ :NH3+ -166:sc= 0.61 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.109 X(o=0.11,f=-0.25) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 85:sc= 1.17 USER MOD Single : A 21 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00392 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 158:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 41 ASN : amide:sc= 0.335 K(o=0.33,f=-3.4!) USER MOD Single : A 46 HIS : no HD1:sc= -0.0767 K(o=-0.077,f=-1) USER MOD Single : A 48 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 52:sc= 0.198 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -10.694 -0.386 -8.789 1.00 0.00 N ATOM 51 CA LEU A 4 -10.341 -1.814 -8.588 1.00 0.00 C ATOM 52 C LEU A 4 -11.272 -2.700 -7.702 1.00 0.00 C ATOM 53 O LEU A 4 -12.249 -3.273 -8.187 1.00 0.00 O ATOM 54 CB LEU A 4 -8.817 -2.081 -8.589 1.00 0.00 C ATOM 55 CG LEU A 4 -7.936 -1.755 -7.374 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.590 -2.489 -7.541 1.00 0.00 C ATOM 57 CD2 LEU A 4 -7.618 -0.270 -7.205 1.00 0.00 C ATOM 0 HA LEU A 4 -10.665 -2.290 -9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.683 -3.142 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.402 -1.533 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.500 -2.071 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.948 -2.271 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.766 -3.563 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.103 -2.153 -8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.992 -0.130 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.089 0.091 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.546 0.289 -7.084 1.00 0.00 H new ATOM 69 N THR A 5 -10.947 -2.787 -6.418 1.00 0.00 N ATOM 70 CA THR A 5 -11.813 -3.414 -5.382 1.00 0.00 C ATOM 71 C THR A 5 -11.675 -2.615 -4.037 1.00 0.00 C ATOM 72 O THR A 5 -10.568 -2.247 -3.624 1.00 0.00 O ATOM 73 CB THR A 5 -11.483 -4.922 -5.129 1.00 0.00 C ATOM 74 OG1 THR A 5 -10.089 -5.136 -4.951 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.916 -5.850 -6.257 1.00 0.00 C ATOM 0 H THR A 5 -10.069 -2.426 -6.045 1.00 0.00 H new ATOM 0 HA THR A 5 -12.836 -3.374 -5.756 1.00 0.00 H new ATOM 0 HB THR A 5 -12.047 -5.159 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.945 -5.989 -4.490 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.652 -6.877 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.995 -5.776 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.412 -5.562 -7.179 1.00 0.00 H new ATOM 83 N ALA A 6 -12.800 -2.386 -3.340 1.00 0.00 N ATOM 84 CA ALA A 6 -12.834 -1.528 -2.120 1.00 0.00 C ATOM 85 C ALA A 6 -12.322 -2.157 -0.767 1.00 0.00 C ATOM 86 O ALA A 6 -12.952 -2.056 0.289 1.00 0.00 O ATOM 87 CB ALA A 6 -14.284 -1.019 -2.034 1.00 0.00 C ATOM 0 H ALA A 6 -13.706 -2.780 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.098 -0.732 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.393 -0.378 -1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.524 -0.451 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.963 -1.867 -1.949 1.00 0.00 H new ATOM 93 N ARG A 7 -11.105 -2.695 -0.815 1.00 0.00 N ATOM 94 CA ARG A 7 -10.282 -3.057 0.374 1.00 0.00 C ATOM 95 C ARG A 7 -8.771 -2.785 0.075 1.00 0.00 C ATOM 96 O ARG A 7 -8.146 -2.010 0.803 1.00 0.00 O ATOM 97 CB ARG A 7 -10.639 -4.478 0.841 1.00 0.00 C ATOM 98 CG ARG A 7 -9.814 -5.082 1.989 1.00 0.00 C ATOM 99 CD ARG A 7 -9.602 -4.243 3.250 1.00 0.00 C ATOM 100 NE ARG A 7 -10.851 -3.971 3.990 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.924 -3.321 5.144 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.899 -2.892 5.820 1.00 0.00 N ATOM 103 NH2 ARG A 7 -12.096 -3.117 5.638 1.00 0.00 N ATOM 0 H ARG A 7 -10.637 -2.903 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.509 -2.423 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.686 -4.478 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.556 -5.144 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.293 -6.015 2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.832 -5.340 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.904 -4.760 3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.138 -3.296 2.974 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.723 -4.308 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.954 -3.048 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.040 -2.399 6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.923 -3.451 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.197 -2.621 6.524 1.00 0.00 H new ATOM 116 N GLN A 8 -8.196 -3.345 -1.009 1.00 0.00 N ATOM 117 CA GLN A 8 -6.894 -2.866 -1.549 1.00 0.00 C ATOM 118 C GLN A 8 -6.836 -1.378 -2.040 1.00 0.00 C ATOM 119 O GLN A 8 -5.812 -0.735 -1.821 1.00 0.00 O ATOM 120 CB GLN A 8 -6.328 -3.862 -2.581 1.00 0.00 C ATOM 121 CG GLN A 8 -7.079 -3.994 -3.915 1.00 0.00 C ATOM 122 CD GLN A 8 -6.423 -4.986 -4.865 1.00 0.00 C ATOM 123 OE1 GLN A 8 -5.323 -4.782 -5.363 1.00 0.00 O ATOM 124 NE2 GLN A 8 -7.067 -6.081 -5.175 1.00 0.00 N ATOM 0 H GLN A 8 -8.603 -4.123 -1.528 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.235 -2.840 -0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.300 -3.574 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.291 -4.847 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.104 -4.308 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.131 -3.017 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.984 -6.266 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.652 -6.751 -5.823 1.00 0.00 H new ATOM 133 N GLN A 9 -7.903 -0.799 -2.626 1.00 0.00 N ATOM 134 CA GLN A 9 -7.969 0.676 -2.866 1.00 0.00 C ATOM 135 C GLN A 9 -7.810 1.588 -1.599 1.00 0.00 C ATOM 136 O GLN A 9 -7.074 2.571 -1.678 1.00 0.00 O ATOM 137 CB GLN A 9 -9.234 0.981 -3.693 1.00 0.00 C ATOM 138 CG GLN A 9 -9.405 2.443 -4.170 1.00 0.00 C ATOM 139 CD GLN A 9 -8.309 3.012 -5.059 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.253 2.793 -6.261 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.395 3.772 -4.517 1.00 0.00 N ATOM 0 H GLN A 9 -8.726 -1.313 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.080 0.949 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.234 0.333 -4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.106 0.711 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.350 2.515 -4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.491 3.079 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.422 3.968 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.654 4.169 -5.094 1.00 0.00 H new ATOM 150 N GLU A 10 -8.405 1.249 -0.444 1.00 0.00 N ATOM 151 CA GLU A 10 -8.061 1.892 0.856 1.00 0.00 C ATOM 152 C GLU A 10 -6.538 1.801 1.276 1.00 0.00 C ATOM 153 O GLU A 10 -5.976 2.809 1.707 1.00 0.00 O ATOM 154 CB GLU A 10 -8.951 1.336 1.998 1.00 0.00 C ATOM 155 CG GLU A 10 -10.451 1.685 1.936 1.00 0.00 C ATOM 156 CD GLU A 10 -11.308 0.724 1.134 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.450 0.786 -0.084 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.892 -0.223 1.919 1.00 0.00 O ATOM 0 H GLU A 10 -9.129 0.534 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.258 2.952 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.854 0.250 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.555 1.700 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.839 1.729 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.558 2.683 1.510 1.00 0.00 H new ATOM 166 N VAL A 11 -5.884 0.641 1.095 1.00 0.00 N ATOM 167 CA VAL A 11 -4.391 0.520 1.190 1.00 0.00 C ATOM 168 C VAL A 11 -3.609 1.431 0.163 1.00 0.00 C ATOM 169 O VAL A 11 -2.652 2.086 0.572 1.00 0.00 O ATOM 170 CB VAL A 11 -3.933 -0.979 1.100 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.415 -1.161 1.349 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.641 -1.910 2.107 1.00 0.00 C ATOM 0 H VAL A 11 -6.354 -0.238 0.881 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.125 0.901 2.176 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.202 -1.253 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.158 -2.218 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.854 -0.597 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.163 -0.796 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.272 -2.928 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.436 -1.571 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.716 -1.890 1.928 1.00 0.00 H new ATOM 182 N PHE A 12 -4.016 1.499 -1.113 1.00 0.00 N ATOM 183 CA PHE A 12 -3.430 2.449 -2.105 1.00 0.00 C ATOM 184 C PHE A 12 -3.650 3.973 -1.823 1.00 0.00 C ATOM 185 O PHE A 12 -2.696 4.746 -1.939 1.00 0.00 O ATOM 186 CB PHE A 12 -3.912 2.000 -3.500 1.00 0.00 C ATOM 187 CG PHE A 12 -3.272 2.671 -4.732 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.958 3.195 -4.752 1.00 0.00 C ATOM 189 CD2 PHE A 12 -4.034 2.756 -5.901 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.459 3.835 -5.886 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.530 3.384 -7.040 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.252 3.937 -7.023 1.00 0.00 C ATOM 0 H PHE A 12 -4.753 0.908 -1.497 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.344 2.390 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.748 0.925 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.988 2.163 -3.551 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.333 3.098 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.026 2.330 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.462 4.249 -5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.131 3.441 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.875 4.447 -7.897 1.00 0.00 H new ATOM 202 N ASP A 13 -4.846 4.398 -1.392 1.00 0.00 N ATOM 203 CA ASP A 13 -5.036 5.737 -0.763 1.00 0.00 C ATOM 204 C ASP A 13 -4.125 6.025 0.494 1.00 0.00 C ATOM 205 O ASP A 13 -3.603 7.135 0.598 1.00 0.00 O ATOM 206 CB ASP A 13 -6.525 5.943 -0.405 1.00 0.00 C ATOM 207 CG ASP A 13 -7.454 6.097 -1.595 1.00 0.00 C ATOM 208 OD1 ASP A 13 -8.295 5.268 -1.922 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.252 7.267 -2.258 1.00 0.00 O ATOM 0 H ASP A 13 -5.700 3.845 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.715 6.458 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.861 5.095 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.613 6.829 0.223 1.00 0.00 H new ATOM 215 N LEU A 14 -3.890 5.047 1.384 1.00 0.00 N ATOM 216 CA LEU A 14 -2.831 5.149 2.426 1.00 0.00 C ATOM 217 C LEU A 14 -1.341 5.172 1.914 1.00 0.00 C ATOM 218 O LEU A 14 -0.534 5.891 2.499 1.00 0.00 O ATOM 219 CB LEU A 14 -3.077 4.049 3.488 1.00 0.00 C ATOM 220 CG LEU A 14 -2.470 4.360 4.878 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.305 5.391 5.647 1.00 0.00 C ATOM 222 CD2 LEU A 14 -2.376 3.074 5.708 1.00 0.00 C ATOM 0 H LEU A 14 -4.414 4.173 1.410 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.929 6.141 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.151 3.900 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.661 3.109 3.124 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.476 4.777 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.845 5.581 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.350 6.320 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.314 5.006 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.948 3.302 6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.372 2.651 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.741 2.354 5.192 1.00 0.00 H new ATOM 234 N ILE A 15 -0.981 4.465 0.827 1.00 0.00 N ATOM 235 CA ILE A 15 0.306 4.690 0.077 1.00 0.00 C ATOM 236 C ILE A 15 0.512 6.182 -0.362 1.00 0.00 C ATOM 237 O ILE A 15 1.511 6.789 0.027 1.00 0.00 O ATOM 238 CB ILE A 15 0.449 3.647 -1.097 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.643 2.197 -0.563 1.00 0.00 C ATOM 240 CG2 ILE A 15 1.593 3.970 -2.086 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.469 1.095 -1.610 1.00 0.00 C ATOM 0 H ILE A 15 -1.558 3.722 0.432 1.00 0.00 H new ATOM 0 HA ILE A 15 1.132 4.507 0.765 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.492 3.721 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.641 2.115 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.068 2.025 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.627 3.208 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.417 4.945 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.543 3.986 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.623 0.122 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.538 1.143 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.198 1.234 -2.409 1.00 0.00 H new ATOM 253 N ARG A 16 -0.422 6.760 -1.123 1.00 0.00 N ATOM 254 CA ARG A 16 -0.361 8.195 -1.518 1.00 0.00 C ATOM 255 C ARG A 16 -0.509 9.241 -0.350 1.00 0.00 C ATOM 256 O ARG A 16 0.138 10.288 -0.405 1.00 0.00 O ATOM 257 CB ARG A 16 -1.374 8.431 -2.671 1.00 0.00 C ATOM 258 CG ARG A 16 -0.972 7.698 -3.975 1.00 0.00 C ATOM 259 CD ARG A 16 -1.908 7.911 -5.165 1.00 0.00 C ATOM 260 NE ARG A 16 -3.173 7.165 -4.980 1.00 0.00 N ATOM 261 CZ ARG A 16 -4.171 7.133 -5.843 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.189 7.782 -6.970 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.191 6.406 -5.542 1.00 0.00 N ATOM 0 H ARG A 16 -1.237 6.265 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 16 0.656 8.385 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.361 8.092 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.452 9.500 -2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.029 8.022 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.914 6.630 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.121 8.974 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.418 7.583 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.282 6.633 -4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.395 8.364 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.997 7.709 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.205 5.884 -4.666 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.985 6.352 -6.180 1.00 0.00 H new ATOM 276 N ASP A 17 -1.279 8.945 0.709 1.00 0.00 N ATOM 277 CA ASP A 17 -1.263 9.719 1.982 1.00 0.00 C ATOM 278 C ASP A 17 0.072 9.640 2.802 1.00 0.00 C ATOM 279 O ASP A 17 0.555 10.695 3.208 1.00 0.00 O ATOM 280 CB ASP A 17 -2.504 9.262 2.774 1.00 0.00 C ATOM 281 CG ASP A 17 -2.878 10.047 4.013 1.00 0.00 C ATOM 282 OD1 ASP A 17 -2.957 9.540 5.126 1.00 0.00 O ATOM 283 OD2 ASP A 17 -3.143 11.358 3.743 1.00 0.00 O ATOM 0 H ASP A 17 -1.934 8.163 0.717 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.306 10.785 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.358 9.278 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.350 8.224 3.069 1.00 0.00 H new ATOM 289 N HIS A 18 0.668 8.462 3.048 1.00 0.00 N ATOM 290 CA HIS A 18 2.016 8.358 3.699 1.00 0.00 C ATOM 291 C HIS A 18 3.217 8.948 2.867 1.00 0.00 C ATOM 292 O HIS A 18 4.093 9.606 3.434 1.00 0.00 O ATOM 293 CB HIS A 18 2.268 6.882 4.095 1.00 0.00 C ATOM 294 CG HIS A 18 3.114 6.718 5.378 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.551 6.266 6.563 1.00 0.00 N ATOM 296 CD2 HIS A 18 4.476 7.052 5.585 1.00 0.00 C ATOM 297 CE1 HIS A 18 3.631 6.390 7.395 1.00 0.00 C ATOM 298 NE2 HIS A 18 4.826 6.832 6.899 1.00 0.00 N ATOM 0 H HIS A 18 0.251 7.561 2.812 1.00 0.00 H new ATOM 0 HA HIS A 18 1.983 8.995 4.583 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.309 6.384 4.237 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.771 6.375 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.143 7.425 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.539 6.139 8.441 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.722 6.962 7.369 1.00 0.00 H new ATOM 306 N ILE A 19 3.220 8.771 1.538 1.00 0.00 N ATOM 307 CA ILE A 19 4.124 9.523 0.609 1.00 0.00 C ATOM 308 C ILE A 19 3.912 11.084 0.630 1.00 0.00 C ATOM 309 O ILE A 19 4.906 11.809 0.602 1.00 0.00 O ATOM 310 CB ILE A 19 4.085 8.838 -0.815 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.786 7.441 -0.740 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.748 9.684 -1.922 1.00 0.00 C ATOM 313 CD1 ILE A 19 4.629 6.533 -1.956 1.00 0.00 C ATOM 0 H ILE A 19 2.605 8.110 1.063 1.00 0.00 H new ATOM 0 HA ILE A 19 5.150 9.448 0.969 1.00 0.00 H new ATOM 0 HB ILE A 19 3.034 8.734 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.851 7.602 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.401 6.913 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.685 9.154 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.233 10.641 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.795 9.856 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.159 5.597 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.572 6.326 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.044 7.027 -2.835 1.00 0.00 H new ATOM 325 N SER A 20 2.674 11.594 0.732 1.00 0.00 N ATOM 326 CA SER A 20 2.413 13.030 1.022 1.00 0.00 C ATOM 327 C SER A 20 2.846 13.555 2.447 1.00 0.00 C ATOM 328 O SER A 20 3.381 14.659 2.543 1.00 0.00 O ATOM 329 CB SER A 20 0.898 13.303 0.809 1.00 0.00 C ATOM 330 OG SER A 20 0.451 12.969 -0.508 1.00 0.00 O ATOM 0 H SER A 20 1.828 11.036 0.619 1.00 0.00 H new ATOM 0 HA SER A 20 3.049 13.583 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.325 12.730 1.538 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.694 14.356 1.000 1.00 0.00 H new ATOM 0 HG SER A 20 0.233 12.014 -0.547 1.00 0.00 H new ATOM 336 N GLN A 21 2.612 12.786 3.521 1.00 0.00 N ATOM 337 CA GLN A 21 3.050 13.144 4.900 1.00 0.00 C ATOM 338 C GLN A 21 4.597 13.054 5.214 1.00 0.00 C ATOM 339 O GLN A 21 5.056 13.700 6.158 1.00 0.00 O ATOM 340 CB GLN A 21 2.316 12.201 5.905 1.00 0.00 C ATOM 341 CG GLN A 21 0.797 12.436 6.047 1.00 0.00 C ATOM 342 CD GLN A 21 0.075 11.347 6.832 1.00 0.00 C ATOM 343 OE1 GLN A 21 -0.288 11.496 7.993 1.00 0.00 O ATOM 344 NE2 GLN A 21 -0.180 10.223 6.216 1.00 0.00 N ATOM 0 H GLN A 21 2.115 11.897 3.470 1.00 0.00 H new ATOM 0 HA GLN A 21 2.799 14.200 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.479 11.169 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.777 12.315 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.632 13.395 6.538 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.356 12.507 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.119 10.092 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.678 9.477 6.702 1.00 0.00 H new ATOM 353 N THR A 22 5.358 12.203 4.518 1.00 0.00 N ATOM 354 CA THR A 22 6.805 11.957 4.811 1.00 0.00 C ATOM 355 C THR A 22 7.623 11.613 3.520 1.00 0.00 C ATOM 356 O THR A 22 8.665 12.229 3.289 1.00 0.00 O ATOM 357 CB THR A 22 6.948 10.879 5.931 1.00 0.00 C ATOM 358 OG1 THR A 22 6.280 11.306 7.117 1.00 0.00 O ATOM 359 CG2 THR A 22 8.380 10.599 6.372 1.00 0.00 C ATOM 0 H THR A 22 5.004 11.657 3.732 1.00 0.00 H new ATOM 0 HA THR A 22 7.243 12.882 5.186 1.00 0.00 H new ATOM 0 HB THR A 22 6.525 9.981 5.482 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.376 10.621 7.811 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.378 9.838 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.960 10.244 5.520 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.827 11.514 6.760 1.00 0.00 H new ATOM 367 N GLY A 23 7.186 10.622 2.728 1.00 0.00 N ATOM 368 CA GLY A 23 7.900 10.192 1.494 1.00 0.00 C ATOM 369 C GLY A 23 8.105 8.676 1.255 1.00 0.00 C ATOM 370 O GLY A 23 8.949 8.320 0.432 1.00 0.00 O ATOM 0 H GLY A 23 6.334 10.093 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.356 10.593 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.883 10.664 1.497 1.00 0.00 H new ATOM 374 N MET A 24 7.342 7.808 1.927 1.00 0.00 N ATOM 375 CA MET A 24 7.526 6.333 1.887 1.00 0.00 C ATOM 376 C MET A 24 6.160 5.553 2.044 1.00 0.00 C ATOM 377 O MET A 24 5.264 6.057 2.729 1.00 0.00 O ATOM 378 CB MET A 24 8.573 5.892 2.947 1.00 0.00 C ATOM 379 CG MET A 24 8.274 6.235 4.414 1.00 0.00 C ATOM 380 SD MET A 24 9.603 5.602 5.450 1.00 0.00 S ATOM 381 CE MET A 24 9.111 6.340 7.017 1.00 0.00 C ATOM 0 H MET A 24 6.568 8.101 2.523 1.00 0.00 H new ATOM 0 HA MET A 24 7.909 6.071 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.696 4.812 2.871 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.530 6.341 2.683 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.183 7.314 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 24 7.322 5.799 4.716 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.824 6.057 7.792 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.094 7.425 6.918 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.118 5.985 7.291 1.00 0.00 H new ATOM 391 N PRO A 25 5.942 4.347 1.456 1.00 0.00 N ATOM 392 CA PRO A 25 4.664 3.576 1.640 1.00 0.00 C ATOM 393 C PRO A 25 4.482 2.879 3.033 1.00 0.00 C ATOM 394 O PRO A 25 5.480 2.438 3.608 1.00 0.00 O ATOM 395 CB PRO A 25 4.761 2.553 0.474 1.00 0.00 C ATOM 396 CG PRO A 25 6.276 2.316 0.296 1.00 0.00 C ATOM 397 CD PRO A 25 6.885 3.702 0.524 1.00 0.00 C ATOM 0 HA PRO A 25 3.788 4.225 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.239 1.626 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.310 2.946 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.655 1.588 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.508 1.934 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.886 3.635 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.972 4.260 -0.408 1.00 0.00 H new ATOM 405 N PRO A 26 3.260 2.720 3.608 1.00 0.00 N ATOM 406 CA PRO A 26 3.069 2.056 4.942 1.00 0.00 C ATOM 407 C PRO A 26 3.176 0.502 4.936 1.00 0.00 C ATOM 408 O PRO A 26 3.020 -0.157 3.905 1.00 0.00 O ATOM 409 CB PRO A 26 1.640 2.557 5.310 1.00 0.00 C ATOM 410 CG PRO A 26 0.916 2.628 3.947 1.00 0.00 C ATOM 411 CD PRO A 26 1.996 3.183 3.014 1.00 0.00 C ATOM 0 HA PRO A 26 3.853 2.311 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.139 1.872 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.670 3.531 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.568 1.647 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.043 3.279 3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.874 2.810 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.956 4.271 2.961 1.00 0.00 H new ATOM 419 N THR A 27 3.412 -0.081 6.120 1.00 0.00 N ATOM 420 CA THR A 27 3.596 -1.556 6.271 1.00 0.00 C ATOM 421 C THR A 27 2.992 -2.113 7.591 1.00 0.00 C ATOM 422 O THR A 27 3.311 -1.647 8.688 1.00 0.00 O ATOM 423 CB THR A 27 5.090 -1.933 6.075 1.00 0.00 C ATOM 424 OG1 THR A 27 5.274 -3.349 6.034 1.00 0.00 O ATOM 425 CG2 THR A 27 6.107 -1.373 7.063 1.00 0.00 C ATOM 0 H THR A 27 3.482 0.436 6.996 1.00 0.00 H new ATOM 0 HA THR A 27 3.025 -2.046 5.482 1.00 0.00 H new ATOM 0 HB THR A 27 5.302 -1.446 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.116 -3.556 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.104 -1.723 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.084 -0.284 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.861 -1.711 8.070 1.00 0.00 H new ATOM 433 N ARG A 28 2.144 -3.145 7.447 1.00 0.00 N ATOM 434 CA ARG A 28 1.743 -4.101 8.519 1.00 0.00 C ATOM 435 C ARG A 28 0.980 -3.512 9.733 1.00 0.00 C ATOM 436 O ARG A 28 -0.247 -3.594 9.811 1.00 0.00 O ATOM 437 CB ARG A 28 2.936 -5.049 8.830 1.00 0.00 C ATOM 438 CG ARG A 28 2.526 -6.360 9.517 1.00 0.00 C ATOM 439 CD ARG A 28 3.705 -7.334 9.632 1.00 0.00 C ATOM 440 NE ARG A 28 3.272 -8.580 10.306 1.00 0.00 N ATOM 441 CZ ARG A 28 2.788 -9.661 9.713 1.00 0.00 C ATOM 442 NH1 ARG A 28 2.596 -9.782 8.434 1.00 0.00 N ATOM 443 NH2 ARG A 28 2.481 -10.664 10.460 1.00 0.00 N ATOM 0 H ARG A 28 1.698 -3.353 6.554 1.00 0.00 H new ATOM 0 HA ARG A 28 0.933 -4.714 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.453 -5.284 7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.648 -4.524 9.466 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.135 -6.143 10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.720 -6.830 8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.095 -7.564 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.516 -6.871 10.194 1.00 0.00 H new ATOM 0 HE ARG A 28 3.354 -8.608 11.322 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.823 -9.009 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.218 -10.650 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.614 -10.607 11.470 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.105 -11.515 10.042 1.00 0.00 H new ATOM 456 N ALA A 29 1.739 -2.903 10.643 1.00 0.00 N ATOM 457 CA ALA A 29 1.187 -2.094 11.754 1.00 0.00 C ATOM 458 C ALA A 29 0.611 -0.703 11.336 1.00 0.00 C ATOM 459 O ALA A 29 -0.492 -0.358 11.758 1.00 0.00 O ATOM 460 CB ALA A 29 2.323 -1.976 12.780 1.00 0.00 C ATOM 0 H ALA A 29 2.758 -2.950 10.640 1.00 0.00 H new ATOM 0 HA ALA A 29 0.309 -2.591 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.984 -1.387 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.613 -2.971 13.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.180 -1.486 12.319 1.00 0.00 H new ATOM 466 N GLU A 30 1.320 0.052 10.482 1.00 0.00 N ATOM 467 CA GLU A 30 0.790 1.293 9.853 1.00 0.00 C ATOM 468 C GLU A 30 -0.499 1.090 8.967 1.00 0.00 C ATOM 469 O GLU A 30 -1.431 1.883 9.083 1.00 0.00 O ATOM 470 CB GLU A 30 1.914 1.949 9.004 1.00 0.00 C ATOM 471 CG GLU A 30 3.169 2.391 9.785 1.00 0.00 C ATOM 472 CD GLU A 30 4.336 2.825 8.911 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.874 3.924 8.985 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.749 1.842 8.062 1.00 0.00 O ATOM 0 H GLU A 30 2.275 -0.172 10.202 1.00 0.00 H new ATOM 0 HA GLU A 30 0.477 1.939 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.219 1.244 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.499 2.819 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.899 3.216 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.494 1.568 10.421 1.00 0.00 H new ATOM 482 N ILE A 31 -0.572 0.027 8.146 1.00 0.00 N ATOM 483 CA ILE A 31 -1.821 -0.344 7.405 1.00 0.00 C ATOM 484 C ILE A 31 -2.998 -0.780 8.361 1.00 0.00 C ATOM 485 O ILE A 31 -4.100 -0.243 8.234 1.00 0.00 O ATOM 486 CB ILE A 31 -1.503 -1.398 6.277 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.513 -0.832 5.215 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.785 -1.848 5.527 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.086 -1.886 4.285 1.00 0.00 C ATOM 0 H ILE A 31 0.213 -0.600 7.970 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.193 0.553 6.910 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.054 -2.248 6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.033 -0.087 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.298 -0.317 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.521 -2.574 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.479 -2.304 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.257 -0.983 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.763 -1.405 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.637 -2.620 4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.714 -2.386 3.739 1.00 0.00 H new ATOM 501 N ALA A 32 -2.776 -1.728 9.288 1.00 0.00 N ATOM 502 CA ALA A 32 -3.822 -2.176 10.240 1.00 0.00 C ATOM 503 C ALA A 32 -4.361 -1.146 11.286 1.00 0.00 C ATOM 504 O ALA A 32 -5.568 -1.140 11.535 1.00 0.00 O ATOM 505 CB ALA A 32 -3.289 -3.452 10.911 1.00 0.00 C ATOM 0 H ALA A 32 -1.881 -2.203 9.403 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.723 -2.342 9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.025 -3.823 11.624 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.104 -4.212 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.359 -3.227 11.434 1.00 0.00 H new ATOM 511 N GLN A 33 -3.504 -0.306 11.884 1.00 0.00 N ATOM 512 CA GLN A 33 -3.942 0.764 12.825 1.00 0.00 C ATOM 513 C GLN A 33 -4.623 2.017 12.165 1.00 0.00 C ATOM 514 O GLN A 33 -5.615 2.500 12.713 1.00 0.00 O ATOM 515 CB GLN A 33 -2.752 1.207 13.713 1.00 0.00 C ATOM 516 CG GLN A 33 -2.135 0.139 14.642 1.00 0.00 C ATOM 517 CD GLN A 33 -3.009 -0.366 15.774 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.999 0.147 16.885 1.00 0.00 O ATOM 519 NE2 GLN A 33 -3.785 -1.398 15.556 1.00 0.00 N ATOM 0 H GLN A 33 -2.495 -0.339 11.739 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.729 0.306 13.424 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.965 1.584 13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.082 2.043 14.330 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.842 -0.715 14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.222 0.550 15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.804 -1.836 14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.370 -1.764 16.307 1.00 0.00 H new ATOM 528 N ARG A 34 -4.127 2.524 11.025 1.00 0.00 N ATOM 529 CA ARG A 34 -4.812 3.607 10.262 1.00 0.00 C ATOM 530 C ARG A 34 -6.226 3.237 9.655 1.00 0.00 C ATOM 531 O ARG A 34 -7.127 4.075 9.691 1.00 0.00 O ATOM 532 CB ARG A 34 -3.887 4.062 9.102 1.00 0.00 C ATOM 533 CG ARG A 34 -2.607 4.832 9.473 1.00 0.00 C ATOM 534 CD ARG A 34 -2.817 6.339 9.667 1.00 0.00 C ATOM 535 NE ARG A 34 -1.480 6.981 9.698 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.229 8.257 9.446 1.00 0.00 C ATOM 537 NH1 ARG A 34 -2.131 9.150 9.167 1.00 0.00 N ATOM 538 NH2 ARG A 34 0.001 8.638 9.473 1.00 0.00 N ATOM 0 H ARG A 34 -3.254 2.208 10.602 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.003 4.393 10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.595 3.176 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.474 4.689 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.196 4.412 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.863 4.677 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.419 6.749 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.356 6.534 10.594 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.684 6.388 9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.116 8.886 9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.854 10.115 8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.739 7.966 9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.237 9.612 9.285 1.00 0.00 H new ATOM 551 N LEU A 35 -6.380 2.041 9.068 1.00 0.00 N ATOM 552 CA LEU A 35 -7.593 1.672 8.287 1.00 0.00 C ATOM 553 C LEU A 35 -8.594 0.664 8.962 1.00 0.00 C ATOM 554 O LEU A 35 -9.769 0.677 8.590 1.00 0.00 O ATOM 555 CB LEU A 35 -7.130 1.080 6.923 1.00 0.00 C ATOM 556 CG LEU A 35 -6.382 2.038 5.969 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.795 1.226 4.807 1.00 0.00 C ATOM 558 CD2 LEU A 35 -7.280 3.148 5.421 1.00 0.00 C ATOM 0 H LEU A 35 -5.680 1.301 9.114 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.162 2.597 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.483 0.227 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.008 0.698 6.402 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.592 2.524 6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.265 1.894 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.102 0.481 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.600 0.726 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.701 3.790 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.108 2.706 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.672 3.740 6.248 1.00 0.00 H new ATOM 570 N GLY A 36 -8.154 -0.216 9.878 1.00 0.00 N ATOM 571 CA GLY A 36 -9.044 -1.227 10.503 1.00 0.00 C ATOM 572 C GLY A 36 -9.021 -2.599 9.810 1.00 0.00 C ATOM 573 O GLY A 36 -9.857 -2.873 8.948 1.00 0.00 O ATOM 0 H GLY A 36 -7.189 -0.253 10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.755 -1.354 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.066 -0.847 10.499 1.00 0.00 H new ATOM 577 N PHE A 37 -8.071 -3.451 10.205 1.00 0.00 N ATOM 578 CA PHE A 37 -7.902 -4.806 9.619 1.00 0.00 C ATOM 579 C PHE A 37 -8.038 -5.928 10.702 1.00 0.00 C ATOM 580 O PHE A 37 -7.427 -5.870 11.772 1.00 0.00 O ATOM 581 CB PHE A 37 -6.493 -4.909 8.960 1.00 0.00 C ATOM 582 CG PHE A 37 -6.449 -4.392 7.518 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.341 -3.023 7.216 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.536 -5.308 6.464 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.327 -2.590 5.889 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.506 -4.874 5.141 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.406 -3.517 4.855 1.00 0.00 C ATOM 0 H PHE A 37 -7.394 -3.233 10.936 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.688 -4.950 8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.779 -4.346 9.561 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.170 -5.950 8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.268 -2.301 8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.627 -6.363 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.255 -1.536 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.560 -5.592 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.390 -3.182 3.828 1.00 0.00 H new ATOM 597 N ARG A 38 -8.746 -7.002 10.347 1.00 0.00 N ATOM 598 CA ARG A 38 -8.804 -8.258 11.144 1.00 0.00 C ATOM 599 C ARG A 38 -7.478 -9.039 11.427 1.00 0.00 C ATOM 600 O ARG A 38 -7.395 -9.724 12.448 1.00 0.00 O ATOM 601 CB ARG A 38 -9.902 -9.165 10.532 1.00 0.00 C ATOM 602 CG ARG A 38 -9.681 -9.845 9.164 1.00 0.00 C ATOM 603 CD ARG A 38 -9.434 -8.961 7.930 1.00 0.00 C ATOM 604 NE ARG A 38 -10.525 -7.978 7.759 1.00 0.00 N ATOM 605 CZ ARG A 38 -10.604 -7.049 6.825 1.00 0.00 C ATOM 606 NH1 ARG A 38 -9.733 -6.869 5.878 1.00 0.00 N ATOM 607 NH2 ARG A 38 -11.619 -6.261 6.864 1.00 0.00 N ATOM 0 H ARG A 38 -9.304 -7.038 9.494 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.045 -7.933 12.156 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.107 -9.955 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.808 -8.564 10.450 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.830 -10.518 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.554 -10.464 8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.483 -8.440 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.358 -9.585 7.040 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.293 -8.022 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.912 -7.472 5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.870 -6.125 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.321 -6.369 7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.722 -5.528 6.163 1.00 0.00 H new ATOM 620 N SER A 39 -6.466 -8.956 10.546 1.00 0.00 N ATOM 621 CA SER A 39 -5.113 -9.496 10.836 1.00 0.00 C ATOM 622 C SER A 39 -3.963 -8.681 10.142 1.00 0.00 C ATOM 623 O SER A 39 -4.172 -8.193 9.023 1.00 0.00 O ATOM 624 CB SER A 39 -5.039 -10.994 10.428 1.00 0.00 C ATOM 625 OG SER A 39 -5.184 -11.191 9.021 1.00 0.00 O ATOM 0 H SER A 39 -6.552 -8.522 9.627 1.00 0.00 H new ATOM 0 HA SER A 39 -4.956 -9.399 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.084 -11.408 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.819 -11.547 10.950 1.00 0.00 H new ATOM 0 HG SER A 39 -5.128 -12.148 8.817 1.00 0.00 H new ATOM 631 N PRO A 40 -2.725 -8.568 10.703 1.00 0.00 N ATOM 632 CA PRO A 40 -1.552 -7.979 9.959 1.00 0.00 C ATOM 633 C PRO A 40 -1.064 -8.711 8.667 1.00 0.00 C ATOM 634 O PRO A 40 -0.557 -8.054 7.756 1.00 0.00 O ATOM 635 CB PRO A 40 -0.479 -7.898 11.071 1.00 0.00 C ATOM 636 CG PRO A 40 -0.835 -9.029 12.058 1.00 0.00 C ATOM 637 CD PRO A 40 -2.370 -9.041 12.061 1.00 0.00 C ATOM 0 HA PRO A 40 -1.822 -7.026 9.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.523 -8.032 10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.495 -6.926 11.564 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.428 -9.987 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.434 -8.833 13.053 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.763 -10.039 12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.775 -8.386 12.832 1.00 0.00 H new ATOM 645 N ASN A 41 -1.262 -10.035 8.567 1.00 0.00 N ATOM 646 CA ASN A 41 -1.066 -10.796 7.303 1.00 0.00 C ATOM 647 C ASN A 41 -2.071 -10.435 6.142 1.00 0.00 C ATOM 648 O ASN A 41 -1.633 -10.327 4.996 1.00 0.00 O ATOM 649 CB ASN A 41 -1.125 -12.320 7.590 1.00 0.00 C ATOM 650 CG ASN A 41 0.006 -12.869 8.445 1.00 0.00 C ATOM 651 OD1 ASN A 41 1.169 -12.506 8.318 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.274 -13.784 9.336 1.00 0.00 N ATOM 0 H ASN A 41 -1.561 -10.615 9.351 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.082 -10.501 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.071 -12.543 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.129 -12.851 6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.470 -14.182 9.910 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.236 -14.100 9.457 1.00 0.00 H new ATOM 659 N ALA A 42 -3.369 -10.217 6.429 1.00 0.00 N ATOM 660 CA ALA A 42 -4.305 -9.583 5.458 1.00 0.00 C ATOM 661 C ALA A 42 -3.926 -8.138 4.983 1.00 0.00 C ATOM 662 O ALA A 42 -3.951 -7.880 3.779 1.00 0.00 O ATOM 663 CB ALA A 42 -5.707 -9.628 6.087 1.00 0.00 C ATOM 0 H ALA A 42 -3.799 -10.467 7.319 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.253 -10.154 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.426 -9.172 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.990 -10.664 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.701 -9.080 7.029 1.00 0.00 H new ATOM 669 N ALA A 43 -3.528 -7.240 5.900 1.00 0.00 N ATOM 670 CA ALA A 43 -2.893 -5.944 5.543 1.00 0.00 C ATOM 671 C ALA A 43 -1.647 -5.999 4.592 1.00 0.00 C ATOM 672 O ALA A 43 -1.616 -5.269 3.598 1.00 0.00 O ATOM 673 CB ALA A 43 -2.582 -5.261 6.883 1.00 0.00 C ATOM 0 H ALA A 43 -3.633 -7.383 6.904 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.590 -5.379 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.110 -4.296 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.508 -5.112 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.907 -5.890 7.464 1.00 0.00 H new ATOM 679 N GLU A 44 -0.674 -6.887 4.857 1.00 0.00 N ATOM 680 CA GLU A 44 0.457 -7.137 3.926 1.00 0.00 C ATOM 681 C GLU A 44 0.120 -7.862 2.580 1.00 0.00 C ATOM 682 O GLU A 44 0.720 -7.494 1.570 1.00 0.00 O ATOM 683 CB GLU A 44 1.604 -7.880 4.658 1.00 0.00 C ATOM 684 CG GLU A 44 2.355 -7.069 5.729 1.00 0.00 C ATOM 685 CD GLU A 44 3.071 -5.824 5.232 1.00 0.00 C ATOM 686 OE1 GLU A 44 2.507 -4.758 5.010 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.412 -6.002 5.107 1.00 0.00 O ATOM 0 H GLU A 44 -0.642 -7.448 5.708 1.00 0.00 H new ATOM 0 HA GLU A 44 0.762 -6.137 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.191 -8.772 5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.325 -8.218 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.643 -6.773 6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.087 -7.721 6.205 1.00 0.00 H new ATOM 695 N GLU A 45 -0.804 -8.836 2.522 1.00 0.00 N ATOM 696 CA GLU A 45 -1.254 -9.410 1.217 1.00 0.00 C ATOM 697 C GLU A 45 -2.061 -8.445 0.284 1.00 0.00 C ATOM 698 O GLU A 45 -1.884 -8.531 -0.931 1.00 0.00 O ATOM 699 CB GLU A 45 -1.943 -10.766 1.481 1.00 0.00 C ATOM 700 CG GLU A 45 -2.283 -11.615 0.234 1.00 0.00 C ATOM 701 CD GLU A 45 -1.120 -11.992 -0.675 1.00 0.00 C ATOM 702 OE1 GLU A 45 -0.338 -12.908 -0.448 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.051 -11.200 -1.781 1.00 0.00 O ATOM 0 H GLU A 45 -1.254 -9.245 3.341 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.362 -9.574 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.298 -11.357 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.866 -10.580 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.765 -12.534 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.016 -11.069 -0.360 1.00 0.00 H new ATOM 711 N HIS A 46 -2.873 -7.505 0.797 1.00 0.00 N ATOM 712 CA HIS A 46 -3.384 -6.372 -0.036 1.00 0.00 C ATOM 713 C HIS A 46 -2.292 -5.342 -0.517 1.00 0.00 C ATOM 714 O HIS A 46 -2.377 -4.899 -1.662 1.00 0.00 O ATOM 715 CB HIS A 46 -4.569 -5.666 0.659 1.00 0.00 C ATOM 716 CG HIS A 46 -5.858 -6.509 0.694 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.590 -6.848 -0.437 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.425 -7.106 1.830 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.537 -7.654 0.133 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.526 -7.858 1.484 1.00 0.00 N ATOM 0 H HIS A 46 -3.192 -7.494 1.766 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.735 -6.836 -0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.282 -5.414 1.680 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.773 -4.727 0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.050 -6.992 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.289 -8.126 -0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.154 -8.409 2.069 1.00 0.00 H new ATOM 728 N LEU A 47 -1.258 -5.024 0.285 1.00 0.00 N ATOM 729 CA LEU A 47 0.002 -4.400 -0.242 1.00 0.00 C ATOM 730 C LEU A 47 0.742 -5.217 -1.367 1.00 0.00 C ATOM 731 O LEU A 47 1.102 -4.630 -2.389 1.00 0.00 O ATOM 732 CB LEU A 47 0.901 -4.088 0.984 1.00 0.00 C ATOM 733 CG LEU A 47 2.216 -3.320 0.715 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.974 -1.883 0.249 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.069 -3.290 1.995 1.00 0.00 C ATOM 0 H LEU A 47 -1.255 -5.181 1.293 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.260 -3.485 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.312 -3.511 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.153 -5.032 1.468 1.00 0.00 H new ATOM 0 HG LEU A 47 2.734 -3.848 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.931 -1.391 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.398 -1.893 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.421 -1.340 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.995 -2.748 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.515 -2.791 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.302 -4.310 2.301 1.00 0.00 H new ATOM 747 N LYS A 48 0.925 -6.538 -1.206 1.00 0.00 N ATOM 748 CA LYS A 48 1.431 -7.431 -2.287 1.00 0.00 C ATOM 749 C LYS A 48 0.546 -7.481 -3.583 1.00 0.00 C ATOM 750 O LYS A 48 1.093 -7.270 -4.662 1.00 0.00 O ATOM 751 CB LYS A 48 1.645 -8.864 -1.735 1.00 0.00 C ATOM 752 CG LYS A 48 2.793 -9.005 -0.719 1.00 0.00 C ATOM 753 CD LYS A 48 2.800 -10.409 -0.092 1.00 0.00 C ATOM 754 CE LYS A 48 3.966 -10.660 0.873 1.00 0.00 C ATOM 755 NZ LYS A 48 3.802 -9.909 2.136 1.00 0.00 N ATOM 0 H LYS A 48 0.730 -7.025 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 48 2.376 -6.990 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.720 -9.198 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.837 -9.535 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.746 -8.818 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.686 -8.253 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.862 -10.561 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.837 -11.151 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.036 -11.726 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.902 -10.370 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.609 -10.104 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.760 -8.890 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.921 -10.204 2.604 1.00 0.00 H new ATOM 768 N ALA A 49 -0.778 -7.691 -3.490 1.00 0.00 N ATOM 769 CA ALA A 49 -1.707 -7.543 -4.644 1.00 0.00 C ATOM 770 C ALA A 49 -1.631 -6.208 -5.466 1.00 0.00 C ATOM 771 O ALA A 49 -1.611 -6.256 -6.697 1.00 0.00 O ATOM 772 CB ALA A 49 -3.121 -7.795 -4.098 1.00 0.00 C ATOM 0 H ALA A 49 -1.240 -7.966 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.400 -8.270 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.846 -7.699 -4.906 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.176 -8.800 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.346 -7.065 -3.320 1.00 0.00 H new ATOM 778 N LEU A 50 -1.527 -5.057 -4.792 1.00 0.00 N ATOM 779 CA LEU A 50 -1.194 -3.764 -5.434 1.00 0.00 C ATOM 780 C LEU A 50 0.248 -3.668 -6.075 1.00 0.00 C ATOM 781 O LEU A 50 0.367 -3.170 -7.194 1.00 0.00 O ATOM 782 CB LEU A 50 -1.329 -2.638 -4.382 1.00 0.00 C ATOM 783 CG LEU A 50 -2.715 -2.369 -3.775 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.521 -1.456 -2.557 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.671 -1.722 -4.777 1.00 0.00 C ATOM 0 H LEU A 50 -1.670 -4.987 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.896 -3.666 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.646 -2.865 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.981 -1.712 -4.840 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.168 -3.317 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.489 -1.246 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.878 -1.952 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.058 -0.521 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.637 -1.552 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.258 -0.770 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.801 -2.382 -5.635 1.00 0.00 H new ATOM 797 N ALA A 51 1.310 -4.111 -5.384 1.00 0.00 N ATOM 798 CA ALA A 51 2.675 -4.213 -5.966 1.00 0.00 C ATOM 799 C ALA A 51 2.864 -5.204 -7.169 1.00 0.00 C ATOM 800 O ALA A 51 3.555 -4.855 -8.127 1.00 0.00 O ATOM 801 CB ALA A 51 3.610 -4.551 -4.797 1.00 0.00 C ATOM 0 H ALA A 51 1.257 -4.409 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 51 2.904 -3.258 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.633 -4.639 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.559 -3.759 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.303 -5.495 -4.347 1.00 0.00 H new ATOM 807 N ARG A 52 2.219 -6.378 -7.141 1.00 0.00 N ATOM 808 CA ARG A 52 2.072 -7.279 -8.320 1.00 0.00 C ATOM 809 C ARG A 52 1.369 -6.639 -9.585 1.00 0.00 C ATOM 810 O ARG A 52 1.812 -6.886 -10.706 1.00 0.00 O ATOM 811 CB ARG A 52 1.286 -8.547 -7.870 1.00 0.00 C ATOM 812 CG ARG A 52 2.011 -9.457 -6.850 1.00 0.00 C ATOM 813 CD ARG A 52 1.053 -10.490 -6.232 1.00 0.00 C ATOM 814 NE ARG A 52 1.731 -11.176 -5.105 1.00 0.00 N ATOM 815 CZ ARG A 52 1.195 -12.108 -4.338 1.00 0.00 C ATOM 816 NH1 ARG A 52 -0.014 -12.570 -4.474 1.00 0.00 N ATOM 817 NH2 ARG A 52 1.923 -12.587 -3.389 1.00 0.00 N ATOM 0 H ARG A 52 1.776 -6.743 -6.298 1.00 0.00 H new ATOM 0 HA ARG A 52 3.084 -7.511 -8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.338 -8.230 -7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.050 -9.139 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.835 -9.973 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.446 -8.845 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.147 -9.997 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.749 -11.217 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 52 2.694 -10.905 -4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.617 -12.210 -5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.358 -13.292 -3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.874 -12.245 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.548 -13.308 -2.773 1.00 0.00 H new ATOM 830 N LYS A 53 0.324 -5.817 -9.400 1.00 0.00 N ATOM 831 CA LYS A 53 -0.211 -4.926 -10.472 1.00 0.00 C ATOM 832 C LYS A 53 0.730 -3.715 -10.873 1.00 0.00 C ATOM 833 O LYS A 53 0.814 -3.377 -12.056 1.00 0.00 O ATOM 834 CB LYS A 53 -1.605 -4.385 -10.039 1.00 0.00 C ATOM 835 CG LYS A 53 -2.695 -5.465 -9.891 1.00 0.00 C ATOM 836 CD LYS A 53 -4.018 -4.877 -9.369 1.00 0.00 C ATOM 837 CE LYS A 53 -5.048 -5.954 -8.991 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.704 -6.570 -7.692 1.00 0.00 N ATOM 0 H LYS A 53 -0.178 -5.742 -8.515 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.279 -5.545 -11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.498 -3.863 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.938 -3.649 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.866 -5.943 -10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.348 -6.240 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.814 -4.256 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.445 -4.226 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.042 -5.511 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.082 -6.720 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.257 -7.441 -7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.690 -6.798 -7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.923 -5.904 -6.923 1.00 0.00 H new ATOM 851 N GLY A 54 1.382 -3.067 -9.899 1.00 0.00 N ATOM 852 CA GLY A 54 2.507 -2.131 -10.144 1.00 0.00 C ATOM 853 C GLY A 54 2.446 -0.738 -9.488 1.00 0.00 C ATOM 854 O GLY A 54 2.888 0.218 -10.123 1.00 0.00 O ATOM 0 H GLY A 54 1.149 -3.172 -8.911 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.424 -2.617 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.595 -1.989 -11.221 1.00 0.00 H new ATOM 858 N VAL A 55 1.966 -0.602 -8.240 1.00 0.00 N ATOM 859 CA VAL A 55 1.810 0.742 -7.594 1.00 0.00 C ATOM 860 C VAL A 55 3.111 1.428 -7.017 1.00 0.00 C ATOM 861 O VAL A 55 3.137 2.657 -6.898 1.00 0.00 O ATOM 862 CB VAL A 55 0.668 0.802 -6.520 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.712 0.386 -7.058 1.00 0.00 C ATOM 864 CG2 VAL A 55 0.951 0.060 -5.211 1.00 0.00 C ATOM 0 H VAL A 55 1.679 -1.386 -7.653 1.00 0.00 H new ATOM 0 HA VAL A 55 1.530 1.337 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 55 0.647 1.865 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.450 0.453 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.000 1.050 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.666 -0.640 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.098 0.166 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.119 -0.996 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.838 0.482 -4.738 1.00 0.00 H new ATOM 874 N ILE A 56 4.115 0.653 -6.585 1.00 0.00 N ATOM 875 CA ILE A 56 5.303 1.180 -5.859 1.00 0.00 C ATOM 876 C ILE A 56 6.632 0.448 -6.266 1.00 0.00 C ATOM 877 O ILE A 56 6.661 -0.758 -6.522 1.00 0.00 O ATOM 878 CB ILE A 56 5.154 1.174 -4.278 1.00 0.00 C ATOM 879 CG1 ILE A 56 4.750 -0.196 -3.686 1.00 0.00 C ATOM 880 CG2 ILE A 56 4.220 2.310 -3.820 1.00 0.00 C ATOM 881 CD1 ILE A 56 4.945 -0.326 -2.176 1.00 0.00 C ATOM 0 H ILE A 56 4.137 -0.357 -6.723 1.00 0.00 H new ATOM 0 HA ILE A 56 5.361 2.222 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 56 6.149 1.360 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.702 -0.382 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.330 -0.975 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.129 2.291 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.633 3.269 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.236 2.175 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.635 -1.320 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.996 -0.177 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.343 0.426 -1.665 1.00 0.00 H new ATOM 893 N GLU A 57 7.743 1.195 -6.255 1.00 0.00 N ATOM 894 CA GLU A 57 9.106 0.619 -6.375 1.00 0.00 C ATOM 895 C GLU A 57 9.650 0.179 -4.974 1.00 0.00 C ATOM 896 O GLU A 57 9.853 1.007 -4.079 1.00 0.00 O ATOM 897 CB GLU A 57 10.052 1.664 -7.017 1.00 0.00 C ATOM 898 CG GLU A 57 9.759 2.035 -8.484 1.00 0.00 C ATOM 899 CD GLU A 57 9.983 0.923 -9.493 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.037 0.765 -10.098 1.00 0.00 O ATOM 901 OE2 GLU A 57 8.884 0.126 -9.633 1.00 0.00 O ATOM 0 H GLU A 57 7.733 2.211 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 57 9.061 -0.266 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.013 2.574 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.072 1.286 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.723 2.366 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.385 2.884 -8.759 1.00 0.00 H new ATOM 909 N ILE A 58 9.859 -1.130 -4.807 1.00 0.00 N ATOM 910 CA ILE A 58 10.257 -1.730 -3.500 1.00 0.00 C ATOM 911 C ILE A 58 11.777 -2.104 -3.537 1.00 0.00 C ATOM 912 O ILE A 58 12.226 -2.899 -4.367 1.00 0.00 O ATOM 913 CB ILE A 58 9.344 -2.965 -3.134 1.00 0.00 C ATOM 914 CG1 ILE A 58 7.843 -2.564 -2.995 1.00 0.00 C ATOM 915 CG2 ILE A 58 9.778 -3.635 -1.800 1.00 0.00 C ATOM 916 CD1 ILE A 58 6.867 -3.742 -3.051 1.00 0.00 C ATOM 0 H ILE A 58 9.762 -1.812 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 58 10.108 -0.996 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 58 9.465 -3.667 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.706 -2.039 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.592 -1.862 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.123 -4.480 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.806 -3.986 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.710 -2.910 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.846 -3.374 -2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.972 -4.256 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.087 -4.436 -2.240 1.00 0.00 H new ATOM 928 N VAL A 59 12.543 -1.579 -2.573 1.00 0.00 N ATOM 929 CA VAL A 59 13.947 -2.031 -2.316 1.00 0.00 C ATOM 930 C VAL A 59 13.929 -3.404 -1.560 1.00 0.00 C ATOM 931 O VAL A 59 13.351 -3.525 -0.476 1.00 0.00 O ATOM 932 CB VAL A 59 14.702 -0.901 -1.537 1.00 0.00 C ATOM 933 CG1 VAL A 59 16.081 -1.314 -0.977 1.00 0.00 C ATOM 934 CG2 VAL A 59 14.969 0.331 -2.441 1.00 0.00 C ATOM 0 H VAL A 59 12.227 -0.838 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 59 14.486 -2.201 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 59 14.029 -0.677 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.529 -0.469 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.958 -2.146 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 59 16.731 -1.619 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.494 1.095 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.580 0.032 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.021 0.733 -2.798 1.00 0.00 H new ATOM 944 N SER A 60 14.578 -4.423 -2.139 1.00 0.00 N ATOM 945 CA SER A 60 14.637 -5.785 -1.539 1.00 0.00 C ATOM 946 C SER A 60 15.575 -5.857 -0.291 1.00 0.00 C ATOM 947 O SER A 60 16.802 -5.801 -0.401 1.00 0.00 O ATOM 948 CB SER A 60 15.073 -6.777 -2.643 1.00 0.00 C ATOM 949 OG SER A 60 14.077 -6.889 -3.661 1.00 0.00 O ATOM 0 H SER A 60 15.075 -4.340 -3.026 1.00 0.00 H new ATOM 0 HA SER A 60 13.648 -6.052 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.012 -6.444 -3.085 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.258 -7.757 -2.203 1.00 0.00 H new ATOM 0 HG SER A 60 14.379 -7.521 -4.346 1.00 0.00 H new ATOM 955 N GLY A 61 14.958 -5.925 0.891 1.00 0.00 N ATOM 956 CA GLY A 61 15.667 -5.719 2.180 1.00 0.00 C ATOM 957 C GLY A 61 14.770 -5.087 3.259 1.00 0.00 C ATOM 958 O GLY A 61 14.458 -5.730 4.261 1.00 0.00 O ATOM 0 H GLY A 61 13.962 -6.122 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.042 -6.677 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.534 -5.080 2.014 1.00 0.00 H new ATOM 962 N ALA A 62 14.342 -3.837 3.036 1.00 0.00 N ATOM 963 CA ALA A 62 13.295 -3.197 3.868 1.00 0.00 C ATOM 964 C ALA A 62 11.858 -3.618 3.425 1.00 0.00 C ATOM 965 O ALA A 62 11.452 -3.361 2.287 1.00 0.00 O ATOM 966 CB ALA A 62 13.502 -1.679 3.726 1.00 0.00 C ATOM 0 H ALA A 62 14.700 -3.243 2.288 1.00 0.00 H new ATOM 0 HA ALA A 62 13.383 -3.513 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.755 -1.153 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.499 -1.413 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.399 -1.394 2.679 1.00 0.00 H new ATOM 972 N SER A 63 11.085 -4.247 4.323 1.00 0.00 N ATOM 973 CA SER A 63 9.727 -4.770 3.985 1.00 0.00 C ATOM 974 C SER A 63 8.577 -3.700 3.956 1.00 0.00 C ATOM 975 O SER A 63 7.630 -3.732 4.752 1.00 0.00 O ATOM 976 CB SER A 63 9.437 -5.943 4.959 1.00 0.00 C ATOM 977 OG SER A 63 9.277 -5.510 6.312 1.00 0.00 O ATOM 0 H SER A 63 11.365 -4.412 5.290 1.00 0.00 H new ATOM 0 HA SER A 63 9.739 -5.111 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.533 -6.461 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.253 -6.664 4.907 1.00 0.00 H new ATOM 0 HG SER A 63 8.618 -4.785 6.348 1.00 0.00 H new ATOM 983 N ARG A 64 8.696 -2.773 3.001 1.00 0.00 N ATOM 984 CA ARG A 64 7.756 -1.641 2.785 1.00 0.00 C ATOM 985 C ARG A 64 7.905 -1.037 1.353 1.00 0.00 C ATOM 986 O ARG A 64 6.990 -1.141 0.534 1.00 0.00 O ATOM 987 CB ARG A 64 7.743 -0.624 3.944 1.00 0.00 C ATOM 988 CG ARG A 64 8.990 0.200 4.290 1.00 0.00 C ATOM 989 CD ARG A 64 8.888 0.927 5.654 1.00 0.00 C ATOM 990 NE ARG A 64 7.836 1.963 5.585 1.00 0.00 N ATOM 991 CZ ARG A 64 7.454 2.773 6.543 1.00 0.00 C ATOM 992 NH1 ARG A 64 7.959 2.796 7.740 1.00 0.00 N ATOM 993 NH2 ARG A 64 6.493 3.582 6.263 1.00 0.00 N ATOM 0 H ARG A 64 9.466 -2.779 2.332 1.00 0.00 H new ATOM 0 HA ARG A 64 6.743 -2.043 2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.940 0.084 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.462 -1.171 4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.859 -0.458 4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.158 0.938 3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.657 0.211 6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.845 1.382 5.907 1.00 0.00 H new ATOM 0 HE ARG A 64 7.353 2.059 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.709 2.151 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.605 3.459 8.430 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.070 3.570 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.154 4.235 6.969 1.00 0.00 H new ATOM 1006 N GLY A 65 9.068 -0.448 1.068 1.00 0.00 N ATOM 1007 CA GLY A 65 9.376 0.182 -0.231 1.00 0.00 C ATOM 1008 C GLY A 65 9.774 1.665 -0.166 1.00 0.00 C ATOM 1009 O GLY A 65 10.106 2.195 0.896 1.00 0.00 O ATOM 0 H GLY A 65 9.836 -0.391 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.187 -0.374 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.504 0.085 -0.878 1.00 0.00 H new ATOM 1013 N ILE A 66 9.788 2.314 -1.335 1.00 0.00 N ATOM 1014 CA ILE A 66 10.310 3.709 -1.482 1.00 0.00 C ATOM 1015 C ILE A 66 9.304 4.587 -2.311 1.00 0.00 C ATOM 1016 O ILE A 66 8.682 5.474 -1.725 1.00 0.00 O ATOM 1017 CB ILE A 66 11.783 3.741 -2.031 1.00 0.00 C ATOM 1018 CG1 ILE A 66 12.830 2.976 -1.173 1.00 0.00 C ATOM 1019 CG2 ILE A 66 12.321 5.174 -2.281 1.00 0.00 C ATOM 1020 CD1 ILE A 66 13.117 3.497 0.233 1.00 0.00 C ATOM 0 H ILE A 66 9.446 1.908 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 66 10.376 4.158 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 66 11.676 3.214 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.499 1.941 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.770 2.964 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.342 5.119 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.690 5.677 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.310 5.735 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 66 13.866 2.864 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.491 4.519 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.200 3.480 0.822 1.00 0.00 H new ATOM 1032 N ARG A 67 9.183 4.397 -3.641 1.00 0.00 N ATOM 1033 CA ARG A 67 8.627 5.455 -4.543 1.00 0.00 C ATOM 1034 C ARG A 67 7.278 5.079 -5.227 1.00 0.00 C ATOM 1035 O ARG A 67 7.037 3.921 -5.568 1.00 0.00 O ATOM 1036 CB ARG A 67 9.733 5.789 -5.584 1.00 0.00 C ATOM 1037 CG ARG A 67 9.587 7.127 -6.340 1.00 0.00 C ATOM 1038 CD ARG A 67 10.028 8.388 -5.580 1.00 0.00 C ATOM 1039 NE ARG A 67 9.059 8.812 -4.544 1.00 0.00 N ATOM 1040 CZ ARG A 67 9.255 8.783 -3.231 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.340 8.372 -2.646 1.00 0.00 N ATOM 1042 NH2 ARG A 67 8.287 9.159 -2.475 1.00 0.00 N ATOM 0 H ARG A 67 9.455 3.538 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 67 8.369 6.327 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.695 5.790 -5.071 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.764 4.984 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.164 7.064 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.542 7.247 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.994 8.203 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.170 9.202 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 67 8.157 9.159 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.125 8.038 -3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.406 8.384 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.406 9.466 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.399 9.151 -1.461 1.00 0.00 H new ATOM 1055 N LEU A 68 6.428 6.087 -5.467 1.00 0.00 N ATOM 1056 CA LEU A 68 5.134 5.916 -6.180 1.00 0.00 C ATOM 1057 C LEU A 68 5.276 5.791 -7.736 1.00 0.00 C ATOM 1058 O LEU A 68 5.809 6.684 -8.399 1.00 0.00 O ATOM 1059 CB LEU A 68 4.280 7.167 -5.812 1.00 0.00 C ATOM 1060 CG LEU A 68 2.813 7.175 -6.301 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.958 6.117 -5.600 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.212 8.568 -6.043 1.00 0.00 C ATOM 0 H LEU A 68 6.609 7.048 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 68 4.672 4.979 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.277 7.270 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.778 8.049 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 68 2.814 6.939 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.937 6.164 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.372 5.128 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.955 6.304 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.177 8.586 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.247 8.787 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.786 9.318 -6.586 1.00 0.00 H new ATOM 1074 N LEU A 69 4.703 4.727 -8.303 1.00 0.00 N ATOM 1075 CA LEU A 69 4.339 4.679 -9.746 1.00 0.00 C ATOM 1076 C LEU A 69 2.807 4.347 -9.816 1.00 0.00 C ATOM 1077 O LEU A 69 2.417 3.181 -9.749 1.00 0.00 O ATOM 1078 CB LEU A 69 5.169 3.616 -10.504 1.00 0.00 C ATOM 1079 CG LEU A 69 6.685 3.869 -10.632 1.00 0.00 C ATOM 1080 CD1 LEU A 69 7.313 2.677 -11.373 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.028 5.149 -11.400 1.00 0.00 C ATOM 0 H LEU A 69 4.474 3.875 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 69 4.554 5.634 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.027 2.657 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.756 3.517 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 69 7.078 3.985 -9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.387 2.836 -11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.133 1.762 -10.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.865 2.587 -12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.111 5.263 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.621 5.088 -12.409 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.596 6.008 -10.887 1.00 0.00 H new