USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 40 ASN : amide:sc= -3.69! K(o=-5!,f=-1.6) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 10 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.6) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0588 USER MOD Single : A 22 SER OG : rot -160:sc= -1.81! USER MOD Single : A 24 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.46) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 31 SER OG : rot 180:sc= -1.12 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 136:sc= -0.361 (180deg=-4.57!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.114 (180deg=-0.344) USER MOD Single : A 62 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -13.981 0.731 -9.007 1.00 0.00 N ATOM 2 CA ARG A 9 -13.043 0.384 -7.948 1.00 0.00 C ATOM 3 C ARG A 9 -12.063 1.523 -7.692 1.00 0.00 C ATOM 4 O ARG A 9 -11.325 1.934 -8.587 1.00 0.00 O ATOM 5 CB ARG A 9 -12.283 -0.895 -8.311 1.00 0.00 C ATOM 6 CG ARG A 9 -11.491 -0.790 -9.604 1.00 0.00 C ATOM 7 CD ARG A 9 -10.781 -2.093 -9.931 1.00 0.00 C ATOM 8 NE ARG A 9 -10.023 -2.007 -11.177 1.00 0.00 N ATOM 9 CZ ARG A 9 -9.314 -3.013 -11.686 1.00 0.00 C ATOM 10 NH1 ARG A 9 -9.263 -4.181 -11.057 1.00 0.00 N ATOM 11 NH2 ARG A 9 -8.656 -2.850 -12.825 1.00 0.00 N ATOM 0 HA ARG A 9 -13.612 0.211 -7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.602 -1.145 -7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.993 -1.717 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.161 -0.525 -10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.759 0.013 -9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.108 -2.353 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.514 -2.896 -10.008 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.038 -1.124 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.768 -4.311 -10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.719 -4.949 -11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.693 -1.954 -13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.113 -3.620 -13.215 1.00 0.00 H new ATOM 25 N HIS A 10 -12.062 2.030 -6.464 1.00 0.00 N ATOM 26 CA HIS A 10 -11.174 3.123 -6.088 1.00 0.00 C ATOM 27 C HIS A 10 -10.386 2.777 -4.830 1.00 0.00 C ATOM 28 O HIS A 10 -9.179 2.546 -4.890 1.00 0.00 O ATOM 29 CB HIS A 10 -11.974 4.406 -5.863 1.00 0.00 C ATOM 30 CG HIS A 10 -12.722 4.865 -7.076 1.00 0.00 C ATOM 31 ND1 HIS A 10 -13.683 4.101 -7.704 1.00 0.00 N ATOM 32 CD2 HIS A 10 -12.646 6.022 -7.777 1.00 0.00 C ATOM 33 CE1 HIS A 10 -14.165 4.766 -8.739 1.00 0.00 C ATOM 34 NE2 HIS A 10 -13.552 5.934 -8.805 1.00 0.00 N ATOM 0 H HIS A 10 -12.667 1.701 -5.712 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.470 3.280 -6.905 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -12.681 4.246 -5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.295 5.197 -5.544 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -11.995 6.857 -7.567 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -14.930 4.414 -9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.724 6.654 -9.506 1.00 0.00 H new ATOM 43 N GLU A 11 -11.075 2.737 -3.691 1.00 0.00 N ATOM 44 CA GLU A 11 -10.432 2.409 -2.421 1.00 0.00 C ATOM 45 C GLU A 11 -9.576 1.158 -2.572 1.00 0.00 C ATOM 46 O GLU A 11 -10.104 0.092 -2.884 1.00 0.00 O ATOM 47 CB GLU A 11 -11.485 2.187 -1.331 1.00 0.00 C ATOM 48 CG GLU A 11 -12.458 3.343 -1.175 1.00 0.00 C ATOM 49 CD GLU A 11 -13.447 3.125 -0.047 1.00 0.00 C ATOM 50 OE1 GLU A 11 -14.189 2.122 -0.094 1.00 0.00 O ATOM 51 OE2 GLU A 11 -13.480 3.958 0.883 1.00 0.00 O ATOM 0 H GLU A 11 -12.075 2.927 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.795 3.245 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.046 1.281 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.980 2.018 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.899 4.261 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.003 3.483 -2.109 1.00 0.00 H new ATOM 58 N LEU A 12 -8.253 1.294 -2.353 1.00 0.00 N ATOM 59 CA LEU A 12 -7.306 0.165 -2.481 1.00 0.00 C ATOM 60 C LEU A 12 -7.850 -0.757 -3.535 1.00 0.00 C ATOM 61 O LEU A 12 -8.521 -0.283 -4.456 1.00 0.00 O ATOM 62 CB LEU A 12 -7.115 -0.566 -1.130 1.00 0.00 C ATOM 63 CG LEU A 12 -5.717 -1.145 -0.834 1.00 0.00 C ATOM 64 CD1 LEU A 12 -5.730 -1.905 0.481 1.00 0.00 C ATOM 65 CD2 LEU A 12 -5.220 -2.045 -1.956 1.00 0.00 C ATOM 0 H LEU A 12 -7.814 2.175 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.319 0.527 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.369 0.130 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.836 -1.382 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.027 -0.305 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.737 -2.309 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.014 -1.230 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.449 -2.722 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.232 -2.430 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.911 -2.878 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.161 -1.473 -2.882 1.00 0.00 H new ATOM 77 N ILE A 13 -7.696 -2.058 -3.400 1.00 0.00 N ATOM 78 CA ILE A 13 -8.364 -2.865 -4.356 1.00 0.00 C ATOM 79 C ILE A 13 -9.694 -3.095 -3.659 1.00 0.00 C ATOM 80 O ILE A 13 -9.809 -3.943 -2.778 1.00 0.00 O ATOM 81 CB ILE A 13 -7.610 -4.184 -4.662 1.00 0.00 C ATOM 82 CG1 ILE A 13 -8.204 -4.860 -5.899 1.00 0.00 C ATOM 83 CG2 ILE A 13 -7.629 -5.125 -3.464 1.00 0.00 C ATOM 84 CD1 ILE A 13 -7.998 -4.061 -7.173 1.00 0.00 C ATOM 0 H ILE A 13 -7.151 -2.539 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.450 -2.408 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.568 -3.939 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.753 -5.845 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.272 -5.015 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.092 -6.040 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.148 -4.641 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.660 -5.368 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.442 -4.595 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.473 -3.085 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.931 -3.928 -7.351 1.00 0.00 H new ATOM 96 N GLY A 14 -10.672 -2.266 -3.982 1.00 0.00 N ATOM 97 CA GLY A 14 -11.937 -2.335 -3.278 1.00 0.00 C ATOM 98 C GLY A 14 -11.770 -2.049 -1.765 1.00 0.00 C ATOM 99 O GLY A 14 -12.757 -2.040 -1.027 1.00 0.00 O ATOM 0 H GLY A 14 -10.617 -1.554 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.633 -1.615 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.376 -3.323 -3.415 1.00 0.00 H new ATOM 103 N LEU A 15 -10.512 -1.838 -1.300 1.00 0.00 N ATOM 104 CA LEU A 15 -10.206 -1.581 0.124 1.00 0.00 C ATOM 105 C LEU A 15 -9.665 -0.168 0.352 1.00 0.00 C ATOM 106 O LEU A 15 -9.308 0.517 -0.581 1.00 0.00 O ATOM 107 CB LEU A 15 -9.167 -2.580 0.656 1.00 0.00 C ATOM 108 CG LEU A 15 -8.972 -3.850 -0.171 1.00 0.00 C ATOM 109 CD1 LEU A 15 -7.839 -4.690 0.403 1.00 0.00 C ATOM 110 CD2 LEU A 15 -10.262 -4.654 -0.228 1.00 0.00 C ATOM 0 H LEU A 15 -9.688 -1.842 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.149 -1.695 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.207 -2.069 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.455 -2.869 1.667 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.705 -3.562 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.713 -5.591 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.915 -4.113 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.077 -4.969 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.103 -5.555 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.562 -4.933 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.046 -4.051 -0.686 1.00 0.00 H new ATOM 122 N SER A 16 -9.548 0.241 1.606 1.00 0.00 N ATOM 123 CA SER A 16 -8.955 1.543 1.930 1.00 0.00 C ATOM 124 C SER A 16 -7.670 1.281 2.722 1.00 0.00 C ATOM 125 O SER A 16 -7.509 0.188 3.261 1.00 0.00 O ATOM 126 CB SER A 16 -9.923 2.416 2.730 1.00 0.00 C ATOM 127 OG SER A 16 -11.116 2.656 2.002 1.00 0.00 O ATOM 0 H SER A 16 -9.851 -0.300 2.415 1.00 0.00 H new ATOM 0 HA SER A 16 -8.733 2.089 1.013 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.162 1.928 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.445 3.365 2.974 1.00 0.00 H new ATOM 0 HG SER A 16 -11.718 3.215 2.536 1.00 0.00 H new ATOM 133 N VAL A 17 -6.733 2.233 2.768 1.00 0.00 N ATOM 134 CA VAL A 17 -5.477 1.980 3.471 1.00 0.00 C ATOM 135 C VAL A 17 -5.141 3.024 4.528 1.00 0.00 C ATOM 136 O VAL A 17 -5.600 4.165 4.480 1.00 0.00 O ATOM 137 CB VAL A 17 -4.304 1.889 2.471 1.00 0.00 C ATOM 138 CG1 VAL A 17 -3.004 1.544 3.183 1.00 0.00 C ATOM 139 CG2 VAL A 17 -4.609 0.867 1.387 1.00 0.00 C ATOM 0 H VAL A 17 -6.816 3.156 2.341 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.620 1.031 3.987 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.181 2.866 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.195 1.486 2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.776 2.315 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.109 0.583 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.772 0.815 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.763 -0.111 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.510 1.164 0.850 1.00 0.00 H new ATOM 149 N ARG A 18 -4.306 2.600 5.474 1.00 0.00 N ATOM 150 CA ARG A 18 -3.841 3.445 6.563 1.00 0.00 C ATOM 151 C ARG A 18 -2.387 3.101 6.878 1.00 0.00 C ATOM 152 O ARG A 18 -2.092 2.011 7.371 1.00 0.00 O ATOM 153 CB ARG A 18 -4.713 3.247 7.806 1.00 0.00 C ATOM 154 CG ARG A 18 -4.253 4.055 9.008 1.00 0.00 C ATOM 155 CD ARG A 18 -5.160 3.834 10.207 1.00 0.00 C ATOM 156 NE ARG A 18 -5.191 2.432 10.619 1.00 0.00 N ATOM 157 CZ ARG A 18 -5.912 1.975 11.640 1.00 0.00 C ATOM 158 NH1 ARG A 18 -6.663 2.804 12.355 1.00 0.00 N ATOM 159 NH2 ARG A 18 -5.883 0.685 11.946 1.00 0.00 N ATOM 0 H ARG A 18 -3.932 1.652 5.503 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.911 4.490 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.740 3.521 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.719 2.190 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.232 3.775 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.238 5.114 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.817 4.449 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.170 4.163 9.963 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.627 1.765 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.690 3.797 12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.214 2.448 13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.308 0.044 11.399 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.435 0.334 12.728 1.00 0.00 H new ATOM 173 N ILE A 19 -1.480 4.020 6.565 1.00 0.00 N ATOM 174 CA ILE A 19 -0.057 3.793 6.795 1.00 0.00 C ATOM 175 C ILE A 19 0.368 4.222 8.195 1.00 0.00 C ATOM 176 O ILE A 19 -0.104 5.231 8.719 1.00 0.00 O ATOM 177 CB ILE A 19 0.801 4.542 5.756 1.00 0.00 C ATOM 178 CG1 ILE A 19 0.363 4.164 4.340 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.277 4.230 5.960 1.00 0.00 C ATOM 180 CD1 ILE A 19 1.145 4.883 3.252 1.00 0.00 C ATOM 0 H ILE A 19 -1.703 4.926 6.153 1.00 0.00 H new ATOM 0 HA ILE A 19 0.106 2.720 6.694 1.00 0.00 H new ATOM 0 HB ILE A 19 0.656 5.614 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.477 3.088 4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.697 4.389 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.868 4.767 5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.580 4.541 6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.441 3.158 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.782 4.567 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.011 5.959 3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.203 4.638 3.342 1.00 0.00 H new ATOM 192 N ALA A 20 1.268 3.444 8.794 1.00 0.00 N ATOM 193 CA ALA A 20 1.765 3.737 10.133 1.00 0.00 C ATOM 194 C ALA A 20 3.251 4.087 10.113 1.00 0.00 C ATOM 195 O ALA A 20 3.745 4.776 11.005 1.00 0.00 O ATOM 196 CB ALA A 20 1.512 2.557 11.058 1.00 0.00 C ATOM 0 H ALA A 20 1.667 2.606 8.371 1.00 0.00 H new ATOM 0 HA ALA A 20 1.224 4.605 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.888 2.789 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.441 2.359 11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.025 1.676 10.673 1.00 0.00 H new ATOM 202 N ARG A 21 3.957 3.611 9.093 1.00 0.00 N ATOM 203 CA ARG A 21 5.384 3.873 8.960 1.00 0.00 C ATOM 204 C ARG A 21 5.843 3.705 7.513 1.00 0.00 C ATOM 205 O ARG A 21 5.515 2.716 6.858 1.00 0.00 O ATOM 206 CB ARG A 21 6.190 2.942 9.868 1.00 0.00 C ATOM 207 CG ARG A 21 5.886 3.118 11.348 1.00 0.00 C ATOM 208 CD ARG A 21 6.782 2.239 12.207 1.00 0.00 C ATOM 209 NE ARG A 21 6.503 2.399 13.633 1.00 0.00 N ATOM 210 CZ ARG A 21 6.727 3.521 14.313 1.00 0.00 C ATOM 211 NH1 ARG A 21 7.282 4.569 13.716 1.00 0.00 N ATOM 212 NH2 ARG A 21 6.410 3.590 15.598 1.00 0.00 N ATOM 0 H ARG A 21 3.562 3.041 8.345 1.00 0.00 H new ATOM 0 HA ARG A 21 5.559 4.906 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.988 1.909 9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.253 3.117 9.701 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.023 4.163 11.627 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.841 2.871 11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.643 1.195 11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.826 2.485 12.012 1.00 0.00 H new ATOM 0 HE ARG A 21 6.113 1.603 14.137 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.539 4.517 12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.451 5.426 14.243 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.995 2.784 16.065 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.581 4.449 16.120 1.00 0.00 H new ATOM 226 N SER A 22 6.609 4.676 7.023 1.00 0.00 N ATOM 227 CA SER A 22 7.120 4.638 5.656 1.00 0.00 C ATOM 228 C SER A 22 8.566 5.122 5.601 1.00 0.00 C ATOM 229 O SER A 22 9.057 5.749 6.539 1.00 0.00 O ATOM 230 CB SER A 22 6.248 5.497 4.739 1.00 0.00 C ATOM 231 OG SER A 22 4.904 5.047 4.746 1.00 0.00 O ATOM 0 H SER A 22 6.890 5.501 7.554 1.00 0.00 H new ATOM 0 HA SER A 22 7.089 3.604 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.288 6.537 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.641 5.464 3.723 1.00 0.00 H new ATOM 0 HG SER A 22 4.443 5.380 3.947 1.00 0.00 H new ATOM 237 N VAL A 23 9.241 4.832 4.492 1.00 0.00 N ATOM 238 CA VAL A 23 10.630 5.242 4.315 1.00 0.00 C ATOM 239 C VAL A 23 10.747 6.764 4.268 1.00 0.00 C ATOM 240 O VAL A 23 11.598 7.351 4.936 1.00 0.00 O ATOM 241 CB VAL A 23 11.235 4.643 3.029 1.00 0.00 C ATOM 242 CG1 VAL A 23 10.432 5.064 1.806 1.00 0.00 C ATOM 243 CG2 VAL A 23 12.696 5.049 2.882 1.00 0.00 C ATOM 0 H VAL A 23 8.849 4.316 3.704 1.00 0.00 H new ATOM 0 HA VAL A 23 11.187 4.865 5.172 1.00 0.00 H new ATOM 0 HB VAL A 23 11.189 3.557 3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.877 4.630 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.405 4.713 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.438 6.151 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.104 4.616 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.768 6.135 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.262 4.686 3.740 1.00 0.00 H new ATOM 253 N HIS A 24 9.885 7.394 3.479 1.00 0.00 N ATOM 254 CA HIS A 24 9.888 8.847 3.349 1.00 0.00 C ATOM 255 C HIS A 24 8.918 9.477 4.347 1.00 0.00 C ATOM 256 O HIS A 24 7.812 8.978 4.552 1.00 0.00 O ATOM 257 CB HIS A 24 9.527 9.256 1.921 1.00 0.00 C ATOM 258 CG HIS A 24 10.535 8.822 0.901 1.00 0.00 C ATOM 259 ND1 HIS A 24 10.375 9.035 -0.451 1.00 0.00 N ATOM 260 CD2 HIS A 24 11.725 8.192 1.042 1.00 0.00 C ATOM 261 CE1 HIS A 24 11.423 8.552 -1.098 1.00 0.00 C ATOM 262 NE2 HIS A 24 12.256 8.036 -0.214 1.00 0.00 N ATOM 0 H HIS A 24 9.175 6.922 2.919 1.00 0.00 H new ATOM 0 HA HIS A 24 10.892 9.210 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 24 8.557 8.831 1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 24 9.422 10.340 1.878 1.00 0.00 H new ATOM 0 HD2 HIS A 24 12.173 7.872 1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 24 11.572 8.576 -2.167 1.00 0.00 H new ATOM 0 HE2 HIS A 24 13.149 7.593 -0.429 1.00 0.00 H new ATOM 271 N ARG A 25 9.352 10.564 4.978 1.00 0.00 N ATOM 272 CA ARG A 25 8.535 11.251 5.974 1.00 0.00 C ATOM 273 C ARG A 25 7.316 11.929 5.353 1.00 0.00 C ATOM 274 O ARG A 25 6.302 12.129 6.022 1.00 0.00 O ATOM 275 CB ARG A 25 9.373 12.284 6.733 1.00 0.00 C ATOM 276 CG ARG A 25 10.402 11.675 7.677 1.00 0.00 C ATOM 277 CD ARG A 25 11.416 10.815 6.937 1.00 0.00 C ATOM 278 NE ARG A 25 12.450 10.296 7.829 1.00 0.00 N ATOM 279 CZ ARG A 25 12.219 9.410 8.798 1.00 0.00 C ATOM 280 NH1 ARG A 25 11.003 8.908 8.976 1.00 0.00 N ATOM 281 NH2 ARG A 25 13.213 9.015 9.583 1.00 0.00 N ATOM 0 H ARG A 25 10.265 10.989 4.817 1.00 0.00 H new ATOM 0 HA ARG A 25 8.174 10.492 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.888 12.919 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.706 12.928 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.922 12.472 8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.893 11.070 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.902 9.983 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.882 11.403 6.146 1.00 0.00 H new ATOM 0 HE ARG A 25 13.405 10.631 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.237 9.200 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.835 8.231 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.152 9.389 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.038 8.337 10.325 1.00 0.00 H new ATOM 295 N ASP A 26 7.416 12.288 4.081 1.00 0.00 N ATOM 296 CA ASP A 26 6.312 12.949 3.394 1.00 0.00 C ATOM 297 C ASP A 26 5.180 11.970 3.075 1.00 0.00 C ATOM 298 O ASP A 26 4.113 12.378 2.619 1.00 0.00 O ATOM 299 CB ASP A 26 6.793 13.630 2.111 1.00 0.00 C ATOM 300 CG ASP A 26 7.416 12.658 1.131 1.00 0.00 C ATOM 301 OD1 ASP A 26 8.463 12.070 1.466 1.00 0.00 O ATOM 302 OD2 ASP A 26 6.855 12.486 0.029 1.00 0.00 O ATOM 0 H ASP A 26 8.244 12.135 3.506 1.00 0.00 H new ATOM 0 HA ASP A 26 5.923 13.710 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.951 14.132 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.521 14.401 2.365 1.00 0.00 H new ATOM 307 N ILE A 27 5.412 10.681 3.319 1.00 0.00 N ATOM 308 CA ILE A 27 4.405 9.666 3.059 1.00 0.00 C ATOM 309 C ILE A 27 4.158 8.786 4.285 1.00 0.00 C ATOM 310 O ILE A 27 3.354 7.855 4.236 1.00 0.00 O ATOM 311 CB ILE A 27 4.798 8.765 1.869 1.00 0.00 C ATOM 312 CG1 ILE A 27 6.052 7.950 2.201 1.00 0.00 C ATOM 313 CG2 ILE A 27 5.017 9.605 0.617 1.00 0.00 C ATOM 314 CD1 ILE A 27 6.512 7.061 1.070 1.00 0.00 C ATOM 0 H ILE A 27 6.288 10.320 3.696 1.00 0.00 H new ATOM 0 HA ILE A 27 3.489 10.203 2.815 1.00 0.00 H new ATOM 0 HB ILE A 27 3.981 8.069 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.859 8.633 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.853 7.334 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.294 8.955 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.098 10.137 0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.816 10.324 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.404 6.514 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.722 6.354 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.743 7.672 0.198 1.00 0.00 H new ATOM 326 N GLN A 28 4.859 9.073 5.379 1.00 0.00 N ATOM 327 CA GLN A 28 4.717 8.297 6.601 1.00 0.00 C ATOM 328 C GLN A 28 3.533 8.776 7.435 1.00 0.00 C ATOM 329 O GLN A 28 3.210 9.964 7.454 1.00 0.00 O ATOM 330 CB GLN A 28 6.003 8.373 7.428 1.00 0.00 C ATOM 331 CG GLN A 28 5.921 7.620 8.745 1.00 0.00 C ATOM 332 CD GLN A 28 7.243 7.594 9.488 1.00 0.00 C ATOM 333 OE1 GLN A 28 8.252 7.121 8.966 1.00 0.00 O ATOM 334 NE2 GLN A 28 7.241 8.099 10.716 1.00 0.00 N ATOM 0 H GLN A 28 5.531 9.838 5.441 1.00 0.00 H new ATOM 0 HA GLN A 28 4.531 7.262 6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.828 7.972 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.235 9.419 7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.163 8.083 9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.596 6.597 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.381 8.481 11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.100 8.105 11.266 1.00 0.00 H new ATOM 343 N GLY A 29 2.897 7.840 8.133 1.00 0.00 N ATOM 344 CA GLY A 29 1.762 8.173 8.971 1.00 0.00 C ATOM 345 C GLY A 29 0.596 8.745 8.188 1.00 0.00 C ATOM 346 O GLY A 29 -0.305 9.353 8.767 1.00 0.00 O ATOM 0 H GLY A 29 3.150 6.852 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.433 7.279 9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.074 8.894 9.726 1.00 0.00 H new ATOM 350 N ILE A 30 0.609 8.557 6.873 1.00 0.00 N ATOM 351 CA ILE A 30 -0.454 9.062 6.027 1.00 0.00 C ATOM 352 C ILE A 30 -1.395 7.944 5.588 1.00 0.00 C ATOM 353 O ILE A 30 -0.955 6.900 5.107 1.00 0.00 O ATOM 354 CB ILE A 30 0.103 9.765 4.771 1.00 0.00 C ATOM 355 CG1 ILE A 30 1.120 10.836 5.169 1.00 0.00 C ATOM 356 CG2 ILE A 30 -1.031 10.378 3.956 1.00 0.00 C ATOM 357 CD1 ILE A 30 1.647 11.639 3.993 1.00 0.00 C ATOM 0 H ILE A 30 1.346 8.058 6.374 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.007 9.786 6.626 1.00 0.00 H new ATOM 0 HB ILE A 30 0.607 9.023 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.658 11.516 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.958 10.359 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.621 10.870 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.721 9.594 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.562 11.109 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.363 12.379 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.138 10.970 3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.818 12.145 3.497 1.00 0.00 H new ATOM 369 N SER A 31 -2.693 8.181 5.737 1.00 0.00 N ATOM 370 CA SER A 31 -3.699 7.205 5.336 1.00 0.00 C ATOM 371 C SER A 31 -4.141 7.493 3.909 1.00 0.00 C ATOM 372 O SER A 31 -3.886 8.578 3.388 1.00 0.00 O ATOM 373 CB SER A 31 -4.902 7.257 6.281 1.00 0.00 C ATOM 374 OG SER A 31 -4.513 6.991 7.616 1.00 0.00 O ATOM 0 H SER A 31 -3.074 9.041 6.133 1.00 0.00 H new ATOM 0 HA SER A 31 -3.266 6.206 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.371 8.239 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.649 6.529 5.965 1.00 0.00 H new ATOM 0 HG SER A 31 -5.299 7.032 8.200 1.00 0.00 H new ATOM 380 N GLY A 32 -4.797 6.531 3.269 1.00 0.00 N ATOM 381 CA GLY A 32 -5.234 6.747 1.911 1.00 0.00 C ATOM 382 C GLY A 32 -5.714 5.478 1.264 1.00 0.00 C ATOM 383 O GLY A 32 -5.772 4.432 1.906 1.00 0.00 O ATOM 0 H GLY A 32 -5.029 5.619 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.037 7.484 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.412 7.163 1.328 1.00 0.00 H new ATOM 387 N ARG A 33 -6.062 5.564 -0.007 1.00 0.00 N ATOM 388 CA ARG A 33 -6.544 4.408 -0.729 1.00 0.00 C ATOM 389 C ARG A 33 -5.566 3.986 -1.829 1.00 0.00 C ATOM 390 O ARG A 33 -4.644 4.708 -2.177 1.00 0.00 O ATOM 391 CB ARG A 33 -7.940 4.670 -1.281 1.00 0.00 C ATOM 392 CG ARG A 33 -9.044 4.614 -0.237 1.00 0.00 C ATOM 393 CD ARG A 33 -9.017 5.810 0.702 1.00 0.00 C ATOM 394 NE ARG A 33 -10.037 5.713 1.744 1.00 0.00 N ATOM 395 CZ ARG A 33 -10.215 6.628 2.694 1.00 0.00 C ATOM 396 NH1 ARG A 33 -9.445 7.709 2.737 1.00 0.00 N ATOM 397 NH2 ARG A 33 -11.165 6.463 3.605 1.00 0.00 N ATOM 0 H ARG A 33 -6.019 6.422 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.611 3.573 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.953 5.652 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.154 3.938 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.011 4.571 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.944 3.697 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.033 5.885 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.171 6.724 0.129 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.648 4.896 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.713 7.841 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.586 8.407 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.759 5.635 3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.301 7.165 4.333 1.00 0.00 H new ATOM 411 N VAL A 34 -5.771 2.790 -2.333 1.00 0.00 N ATOM 412 CA VAL A 34 -4.903 2.190 -3.380 1.00 0.00 C ATOM 413 C VAL A 34 -5.519 2.213 -4.777 1.00 0.00 C ATOM 414 O VAL A 34 -6.726 2.276 -4.919 1.00 0.00 O ATOM 415 CB VAL A 34 -4.454 0.743 -3.024 1.00 0.00 C ATOM 416 CG1 VAL A 34 -4.360 -0.161 -4.254 1.00 0.00 C ATOM 417 CG2 VAL A 34 -3.125 0.771 -2.284 1.00 0.00 C ATOM 0 H VAL A 34 -6.540 2.186 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.023 2.833 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.221 0.319 -2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.043 -1.158 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.336 -0.222 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.634 0.252 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.822 -0.248 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.367 1.234 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.232 1.347 -1.365 1.00 0.00 H new ATOM 427 N VAL A 35 -4.672 2.131 -5.804 1.00 0.00 N ATOM 428 CA VAL A 35 -5.153 2.062 -7.182 1.00 0.00 C ATOM 429 C VAL A 35 -4.580 0.798 -7.828 1.00 0.00 C ATOM 430 O VAL A 35 -5.309 0.003 -8.421 1.00 0.00 O ATOM 431 CB VAL A 35 -4.781 3.296 -8.040 1.00 0.00 C ATOM 432 CG1 VAL A 35 -3.339 3.255 -8.492 1.00 0.00 C ATOM 433 CG2 VAL A 35 -5.707 3.407 -9.243 1.00 0.00 C ATOM 0 H VAL A 35 -3.657 2.111 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.242 2.041 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.905 4.178 -7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.120 4.139 -9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.685 3.236 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.171 2.360 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.431 4.280 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.617 2.510 -9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.737 3.511 -8.901 1.00 0.00 H new ATOM 443 N ASP A 36 -3.264 0.613 -7.676 1.00 0.00 N ATOM 444 CA ASP A 36 -2.574 -0.554 -8.204 1.00 0.00 C ATOM 445 C ASP A 36 -1.232 -0.746 -7.492 1.00 0.00 C ATOM 446 O ASP A 36 -0.742 0.167 -6.828 1.00 0.00 O ATOM 447 CB ASP A 36 -2.383 -0.422 -9.717 1.00 0.00 C ATOM 448 CG ASP A 36 -1.594 -1.571 -10.313 1.00 0.00 C ATOM 449 OD1 ASP A 36 -2.049 -2.728 -10.197 1.00 0.00 O ATOM 450 OD2 ASP A 36 -0.520 -1.314 -10.898 1.00 0.00 O ATOM 0 H ASP A 36 -2.656 1.268 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.184 -1.438 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.359 -0.370 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.870 0.515 -9.933 1.00 0.00 H new ATOM 455 N GLU A 37 -0.640 -1.929 -7.634 1.00 0.00 N ATOM 456 CA GLU A 37 0.647 -2.221 -7.002 1.00 0.00 C ATOM 457 C GLU A 37 1.782 -2.154 -8.022 1.00 0.00 C ATOM 458 O GLU A 37 1.607 -2.517 -9.185 1.00 0.00 O ATOM 459 CB GLU A 37 0.617 -3.605 -6.351 1.00 0.00 C ATOM 460 CG GLU A 37 -0.478 -3.767 -5.307 1.00 0.00 C ATOM 461 CD GLU A 37 -0.348 -2.780 -4.163 1.00 0.00 C ATOM 462 OE1 GLU A 37 -0.418 -1.560 -4.419 1.00 0.00 O ATOM 463 OE2 GLU A 37 -0.177 -3.228 -3.010 1.00 0.00 O ATOM 0 H GLU A 37 -1.028 -2.699 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 37 0.825 -1.468 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.481 -4.359 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.583 -3.798 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.450 -3.639 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.449 -4.782 -4.911 1.00 0.00 H new ATOM 470 N THR A 38 2.947 -1.686 -7.577 1.00 0.00 N ATOM 471 CA THR A 38 4.111 -1.573 -8.451 1.00 0.00 C ATOM 472 C THR A 38 5.296 -2.355 -7.887 1.00 0.00 C ATOM 473 O THR A 38 5.383 -2.585 -6.681 1.00 0.00 O ATOM 474 CB THR A 38 4.494 -0.103 -8.640 1.00 0.00 C ATOM 475 OG1 THR A 38 3.413 0.630 -9.189 1.00 0.00 O ATOM 476 CG2 THR A 38 5.687 0.093 -9.551 1.00 0.00 C ATOM 0 H THR A 38 3.109 -1.380 -6.618 1.00 0.00 H new ATOM 0 HA THR A 38 3.849 -1.999 -9.420 1.00 0.00 H new ATOM 0 HB THR A 38 4.753 0.257 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.677 1.567 -9.301 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.905 1.157 -9.642 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.553 -0.420 -9.132 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.464 -0.317 -10.536 1.00 0.00 H new ATOM 484 N ARG A 39 6.203 -2.761 -8.776 1.00 0.00 N ATOM 485 CA ARG A 39 7.388 -3.530 -8.391 1.00 0.00 C ATOM 486 C ARG A 39 8.011 -3.019 -7.092 1.00 0.00 C ATOM 487 O ARG A 39 8.341 -3.807 -6.206 1.00 0.00 O ATOM 488 CB ARG A 39 8.429 -3.483 -9.512 1.00 0.00 C ATOM 489 CG ARG A 39 9.707 -4.241 -9.190 1.00 0.00 C ATOM 490 CD ARG A 39 10.718 -4.139 -10.322 1.00 0.00 C ATOM 491 NE ARG A 39 10.217 -4.726 -11.561 1.00 0.00 N ATOM 492 CZ ARG A 39 10.909 -4.762 -12.698 1.00 0.00 C ATOM 493 NH1 ARG A 39 12.128 -4.239 -12.758 1.00 0.00 N ATOM 494 NH2 ARG A 39 10.381 -5.324 -13.777 1.00 0.00 N ATOM 0 H ARG A 39 6.139 -2.568 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 39 7.067 -4.558 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.991 -3.896 -10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.677 -2.443 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.145 -3.845 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.472 -5.289 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.966 -3.091 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.640 -4.642 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 39 9.282 -5.133 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.539 -3.807 -11.930 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.654 -4.269 -13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.445 -5.728 -13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.910 -5.352 -14.648 1.00 0.00 H new ATOM 508 N ASN A 40 8.176 -1.706 -6.983 1.00 0.00 N ATOM 509 CA ASN A 40 8.770 -1.119 -5.784 1.00 0.00 C ATOM 510 C ASN A 40 7.966 0.071 -5.267 1.00 0.00 C ATOM 511 O ASN A 40 8.500 0.932 -4.568 1.00 0.00 O ATOM 512 CB ASN A 40 10.222 -0.699 -6.054 1.00 0.00 C ATOM 513 CG ASN A 40 10.389 0.344 -7.159 1.00 0.00 C ATOM 514 OD1 ASN A 40 11.515 0.705 -7.499 1.00 0.00 O ATOM 515 ND2 ASN A 40 9.291 0.846 -7.725 1.00 0.00 N ATOM 0 H ASN A 40 7.911 -1.032 -7.701 1.00 0.00 H new ATOM 0 HA ASN A 40 8.755 -1.886 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.649 -0.304 -5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.799 -1.585 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.372 1.548 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.370 0.528 -7.423 1.00 0.00 H new ATOM 522 N THR A 41 6.680 0.116 -5.605 1.00 0.00 N ATOM 523 CA THR A 41 5.821 1.208 -5.157 1.00 0.00 C ATOM 524 C THR A 41 4.354 0.811 -5.189 1.00 0.00 C ATOM 525 O THR A 41 3.992 -0.241 -5.711 1.00 0.00 O ATOM 526 CB THR A 41 6.039 2.452 -6.017 1.00 0.00 C ATOM 527 OG1 THR A 41 5.945 2.137 -7.394 1.00 0.00 O ATOM 528 CG2 THR A 41 7.377 3.114 -5.782 1.00 0.00 C ATOM 0 H THR A 41 6.213 -0.584 -6.182 1.00 0.00 H new ATOM 0 HA THR A 41 6.092 1.434 -4.126 1.00 0.00 H new ATOM 0 HB THR A 41 5.253 3.147 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.086 2.948 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.467 3.990 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.454 3.419 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.177 2.411 -6.014 1.00 0.00 H new ATOM 536 N LEU A 42 3.513 1.672 -4.631 1.00 0.00 N ATOM 537 CA LEU A 42 2.076 1.427 -4.601 1.00 0.00 C ATOM 538 C LEU A 42 1.321 2.676 -5.015 1.00 0.00 C ATOM 539 O LEU A 42 1.354 3.688 -4.313 1.00 0.00 O ATOM 540 CB LEU A 42 1.613 1.008 -3.204 1.00 0.00 C ATOM 541 CG LEU A 42 2.364 -0.171 -2.589 1.00 0.00 C ATOM 542 CD1 LEU A 42 1.710 -0.598 -1.280 1.00 0.00 C ATOM 543 CD2 LEU A 42 2.429 -1.341 -3.566 1.00 0.00 C ATOM 0 H LEU A 42 3.801 2.547 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 42 1.867 0.617 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.708 1.865 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.553 0.757 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 42 3.384 0.148 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.259 -1.439 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.724 0.235 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.679 -0.896 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.968 -2.169 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.418 -1.661 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.947 -1.029 -4.473 1.00 0.00 H new ATOM 555 N ARG A 43 0.623 2.605 -6.138 1.00 0.00 N ATOM 556 CA ARG A 43 -0.146 3.741 -6.596 1.00 0.00 C ATOM 557 C ARG A 43 -1.442 3.790 -5.787 1.00 0.00 C ATOM 558 O ARG A 43 -2.191 2.816 -5.722 1.00 0.00 O ATOM 559 CB ARG A 43 -0.381 3.651 -8.107 1.00 0.00 C ATOM 560 CG ARG A 43 -0.839 4.958 -8.741 1.00 0.00 C ATOM 561 CD ARG A 43 -0.920 4.835 -10.258 1.00 0.00 C ATOM 562 NE ARG A 43 -0.994 6.136 -10.924 1.00 0.00 N ATOM 563 CZ ARG A 43 -2.036 6.962 -10.852 1.00 0.00 C ATOM 564 NH1 ARG A 43 -3.117 6.621 -10.165 1.00 0.00 N ATOM 565 NH2 ARG A 43 -2.000 8.130 -11.479 1.00 0.00 N ATOM 0 H ARG A 43 0.576 1.782 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 43 0.394 4.674 -6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.542 3.329 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.128 2.882 -8.303 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.815 5.236 -8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.147 5.757 -8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.047 4.293 -10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.796 4.244 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.192 6.430 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.155 5.721 -9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.911 7.259 -10.114 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.174 8.395 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.798 8.763 -11.424 1.00 0.00 H new ATOM 579 N ILE A 44 -1.645 4.905 -5.107 1.00 0.00 N ATOM 580 CA ILE A 44 -2.785 5.090 -4.213 1.00 0.00 C ATOM 581 C ILE A 44 -3.976 5.800 -4.854 1.00 0.00 C ATOM 582 O ILE A 44 -3.901 6.987 -5.165 1.00 0.00 O ATOM 583 CB ILE A 44 -2.314 5.878 -2.954 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.755 4.903 -1.912 1.00 0.00 C ATOM 585 CG2 ILE A 44 -3.404 6.765 -2.343 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.268 5.578 -0.648 1.00 0.00 C ATOM 0 H ILE A 44 -1.024 5.713 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.143 4.095 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.529 6.559 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.528 4.180 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.931 4.344 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.005 7.283 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.733 7.497 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.250 6.147 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.887 4.826 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.472 6.281 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.094 6.114 -0.180 1.00 0.00 H new ATOM 598 N GLU A 45 -5.110 5.095 -4.971 1.00 0.00 N ATOM 599 CA GLU A 45 -6.316 5.718 -5.480 1.00 0.00 C ATOM 600 C GLU A 45 -7.349 5.741 -4.369 1.00 0.00 C ATOM 601 O GLU A 45 -7.500 4.739 -3.629 1.00 0.00 O ATOM 602 CB GLU A 45 -6.895 4.998 -6.702 1.00 0.00 C ATOM 603 CG GLU A 45 -8.279 5.503 -7.100 1.00 0.00 C ATOM 604 CD GLU A 45 -8.906 4.703 -8.226 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.301 3.701 -8.654 1.00 0.00 O ATOM 606 OE2 GLU A 45 -10.011 5.076 -8.673 1.00 0.00 O ATOM 0 H GLU A 45 -5.207 4.111 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.058 6.726 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.214 5.122 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.952 3.930 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.935 5.469 -6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.204 6.547 -7.403 1.00 0.00 H new ATOM 613 N MET A 46 -8.025 6.894 -4.262 1.00 0.00 N ATOM 614 CA MET A 46 -9.056 7.138 -3.255 1.00 0.00 C ATOM 615 C MET A 46 -10.412 7.421 -3.902 1.00 0.00 C ATOM 616 O MET A 46 -10.518 8.249 -4.813 1.00 0.00 O ATOM 617 CB MET A 46 -8.635 8.314 -2.367 1.00 0.00 C ATOM 618 CG MET A 46 -7.412 8.015 -1.515 1.00 0.00 C ATOM 619 SD MET A 46 -6.695 9.488 -0.761 1.00 0.00 S ATOM 620 CE MET A 46 -5.729 10.128 -2.125 1.00 0.00 C ATOM 0 H MET A 46 -7.866 7.689 -4.881 1.00 0.00 H new ATOM 0 HA MET A 46 -9.162 6.240 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.428 9.180 -2.996 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.466 8.584 -1.716 1.00 0.00 H new ATOM 0 HG2 MET A 46 -7.687 7.310 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.658 7.527 -2.132 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.871 11.206 -2.197 1.00 0.00 H new ATOM 0 HE2 MET A 46 -4.674 9.911 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.053 9.657 -3.053 1.00 0.00 H new ATOM 630 N ASP A 47 -11.442 6.722 -3.418 1.00 0.00 N ATOM 631 CA ASP A 47 -12.807 6.869 -3.932 1.00 0.00 C ATOM 632 C ASP A 47 -13.209 8.332 -4.085 1.00 0.00 C ATOM 633 O ASP A 47 -14.040 8.669 -4.928 1.00 0.00 O ATOM 634 CB ASP A 47 -13.797 6.152 -3.011 1.00 0.00 C ATOM 635 CG ASP A 47 -15.230 6.261 -3.498 1.00 0.00 C ATOM 636 OD1 ASP A 47 -15.511 5.797 -4.623 1.00 0.00 O ATOM 637 OD2 ASP A 47 -16.069 6.811 -2.755 1.00 0.00 O ATOM 0 H ASP A 47 -11.355 6.042 -2.663 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.831 6.415 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.522 5.100 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.725 6.573 -2.008 1.00 0.00 H new ATOM 642 N ASP A 48 -12.614 9.193 -3.277 1.00 0.00 N ATOM 643 CA ASP A 48 -12.913 10.619 -3.338 1.00 0.00 C ATOM 644 C ASP A 48 -12.591 11.185 -4.723 1.00 0.00 C ATOM 645 O ASP A 48 -12.966 12.312 -5.044 1.00 0.00 O ATOM 646 CB ASP A 48 -12.119 11.373 -2.269 1.00 0.00 C ATOM 647 CG ASP A 48 -12.412 12.862 -2.270 1.00 0.00 C ATOM 648 OD1 ASP A 48 -13.583 13.236 -2.056 1.00 0.00 O ATOM 649 OD2 ASP A 48 -11.468 13.651 -2.486 1.00 0.00 O ATOM 0 H ASP A 48 -11.923 8.934 -2.573 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.979 10.751 -3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.354 10.960 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.053 11.216 -2.434 1.00 0.00 H new ATOM 654 N GLY A 49 -11.883 10.401 -5.533 1.00 0.00 N ATOM 655 CA GLY A 49 -11.509 10.843 -6.860 1.00 0.00 C ATOM 656 C GLY A 49 -10.083 11.345 -6.895 1.00 0.00 C ATOM 657 O GLY A 49 -9.699 12.104 -7.785 1.00 0.00 O ATOM 0 H GLY A 49 -11.562 9.464 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.623 10.019 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.183 11.636 -7.184 1.00 0.00 H new ATOM 661 N ARG A 50 -9.301 10.920 -5.910 1.00 0.00 N ATOM 662 CA ARG A 50 -7.907 11.325 -5.807 1.00 0.00 C ATOM 663 C ARG A 50 -6.975 10.196 -6.230 1.00 0.00 C ATOM 664 O ARG A 50 -7.364 9.027 -6.243 1.00 0.00 O ATOM 665 CB ARG A 50 -7.594 11.760 -4.375 1.00 0.00 C ATOM 666 CG ARG A 50 -8.416 12.953 -3.914 1.00 0.00 C ATOM 667 CD ARG A 50 -8.149 13.286 -2.454 1.00 0.00 C ATOM 668 NE ARG A 50 -8.549 12.199 -1.563 1.00 0.00 N ATOM 669 CZ ARG A 50 -8.441 12.250 -0.238 1.00 0.00 C ATOM 670 NH1 ARG A 50 -7.944 13.331 0.354 1.00 0.00 N ATOM 671 NH2 ARG A 50 -8.834 11.221 0.499 1.00 0.00 N ATOM 0 H ARG A 50 -9.612 10.292 -5.169 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.745 12.166 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.773 10.922 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.535 12.007 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.182 13.818 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.476 12.740 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.088 13.495 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.689 14.193 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.933 11.352 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.643 14.127 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.864 13.364 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.219 10.390 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -8.751 11.260 1.515 1.00 0.00 H new ATOM 685 N GLU A 51 -5.744 10.551 -6.572 1.00 0.00 N ATOM 686 CA GLU A 51 -4.755 9.568 -6.993 1.00 0.00 C ATOM 687 C GLU A 51 -3.341 10.056 -6.695 1.00 0.00 C ATOM 688 O GLU A 51 -2.961 11.164 -7.082 1.00 0.00 O ATOM 689 CB GLU A 51 -4.901 9.279 -8.486 1.00 0.00 C ATOM 690 CG GLU A 51 -6.238 8.660 -8.859 1.00 0.00 C ATOM 691 CD GLU A 51 -6.350 8.367 -10.342 1.00 0.00 C ATOM 692 OE1 GLU A 51 -5.525 7.583 -10.857 1.00 0.00 O ATOM 693 OE2 GLU A 51 -7.265 8.920 -10.990 1.00 0.00 O ATOM 0 H GLU A 51 -5.406 11.513 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.929 8.650 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.773 10.208 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.100 8.608 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.375 7.736 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.042 9.334 -8.564 1.00 0.00 H new ATOM 700 N ILE A 52 -2.563 9.227 -6.008 1.00 0.00 N ATOM 701 CA ILE A 52 -1.187 9.582 -5.661 1.00 0.00 C ATOM 702 C ILE A 52 -0.346 8.330 -5.433 1.00 0.00 C ATOM 703 O ILE A 52 -0.878 7.295 -5.069 1.00 0.00 O ATOM 704 CB ILE A 52 -1.137 10.468 -4.400 1.00 0.00 C ATOM 705 CG1 ILE A 52 0.301 10.895 -4.099 1.00 0.00 C ATOM 706 CG2 ILE A 52 -1.738 9.733 -3.211 1.00 0.00 C ATOM 707 CD1 ILE A 52 0.423 11.790 -2.876 1.00 0.00 C ATOM 0 H ILE A 52 -2.858 8.307 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.777 10.144 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.728 11.365 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.913 10.005 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.705 11.419 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.695 10.372 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.776 9.481 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.174 8.819 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.469 12.054 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.162 12.697 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.049 11.261 -1.999 1.00 0.00 H new ATOM 719 N THR A 53 0.963 8.428 -5.653 1.00 0.00 N ATOM 720 CA THR A 53 1.859 7.282 -5.473 1.00 0.00 C ATOM 721 C THR A 53 2.480 7.266 -4.076 1.00 0.00 C ATOM 722 O THR A 53 2.625 8.308 -3.438 1.00 0.00 O ATOM 723 CB THR A 53 2.962 7.304 -6.534 1.00 0.00 C ATOM 724 OG1 THR A 53 2.406 7.270 -7.835 1.00 0.00 O ATOM 725 CG2 THR A 53 3.928 6.146 -6.420 1.00 0.00 C ATOM 0 H THR A 53 1.428 9.284 -5.955 1.00 0.00 H new ATOM 0 HA THR A 53 1.264 6.376 -5.586 1.00 0.00 H new ATOM 0 HB THR A 53 3.509 8.231 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.126 7.286 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.683 6.224 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.413 6.171 -5.444 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.385 5.207 -6.532 1.00 0.00 H new ATOM 733 N VAL A 54 2.851 6.070 -3.608 1.00 0.00 N ATOM 734 CA VAL A 54 3.462 5.916 -2.288 1.00 0.00 C ATOM 735 C VAL A 54 4.387 4.693 -2.234 1.00 0.00 C ATOM 736 O VAL A 54 3.922 3.555 -2.296 1.00 0.00 O ATOM 737 CB VAL A 54 2.392 5.772 -1.187 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.040 5.736 0.192 1.00 0.00 C ATOM 739 CG2 VAL A 54 1.379 6.905 -1.272 1.00 0.00 C ATOM 0 H VAL A 54 2.738 5.197 -4.124 1.00 0.00 H new ATOM 0 HA VAL A 54 4.047 6.819 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 54 1.867 4.830 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.268 5.634 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.723 4.888 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.594 6.660 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.632 6.785 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.889 7.860 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.889 6.882 -2.245 1.00 0.00 H new ATOM 749 N PRO A 55 5.715 4.908 -2.115 1.00 0.00 N ATOM 750 CA PRO A 55 6.691 3.811 -2.053 1.00 0.00 C ATOM 751 C PRO A 55 6.463 2.888 -0.854 1.00 0.00 C ATOM 752 O PRO A 55 6.552 3.319 0.297 1.00 0.00 O ATOM 753 CB PRO A 55 8.047 4.516 -1.927 1.00 0.00 C ATOM 754 CG PRO A 55 7.754 5.933 -1.573 1.00 0.00 C ATOM 755 CD PRO A 55 6.357 6.231 -2.043 1.00 0.00 C ATOM 0 HA PRO A 55 6.615 3.169 -2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.661 4.043 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.604 4.457 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.838 6.086 -0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.470 6.604 -2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.835 6.891 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.360 6.727 -3.014 1.00 0.00 H new ATOM 763 N LYS A 56 6.165 1.619 -1.132 1.00 0.00 N ATOM 764 CA LYS A 56 5.921 0.639 -0.072 1.00 0.00 C ATOM 765 C LYS A 56 7.135 -0.254 0.183 1.00 0.00 C ATOM 766 O LYS A 56 7.092 -1.122 1.055 1.00 0.00 O ATOM 767 CB LYS A 56 4.697 -0.228 -0.386 1.00 0.00 C ATOM 768 CG LYS A 56 4.973 -1.417 -1.304 1.00 0.00 C ATOM 769 CD LYS A 56 5.572 -0.999 -2.638 1.00 0.00 C ATOM 770 CE LYS A 56 5.882 -2.209 -3.507 1.00 0.00 C ATOM 771 NZ LYS A 56 6.854 -3.127 -2.853 1.00 0.00 N ATOM 0 H LYS A 56 6.087 1.246 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 56 5.728 1.211 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.282 -0.599 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.934 0.399 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.653 -2.107 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.044 -1.958 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.878 -0.341 -3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.485 -0.428 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.959 -2.749 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.284 -1.876 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.168 -3.844 -3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.675 -2.583 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.398 -3.596 -2.044 1.00 0.00 H new ATOM 785 N GLY A 57 8.210 -0.062 -0.581 1.00 0.00 N ATOM 786 CA GLY A 57 9.395 -0.891 -0.403 1.00 0.00 C ATOM 787 C GLY A 57 9.805 -0.996 1.054 1.00 0.00 C ATOM 788 O GLY A 57 10.417 -1.980 1.467 1.00 0.00 O ATOM 0 H GLY A 57 8.283 0.645 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.201 -1.889 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.219 -0.474 -0.982 1.00 0.00 H new ATOM 792 N ILE A 58 9.431 0.008 1.836 1.00 0.00 N ATOM 793 CA ILE A 58 9.715 0.032 3.257 1.00 0.00 C ATOM 794 C ILE A 58 8.616 0.814 3.967 1.00 0.00 C ATOM 795 O ILE A 58 8.868 1.858 4.569 1.00 0.00 O ATOM 796 CB ILE A 58 11.085 0.672 3.582 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.207 0.015 2.765 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.376 0.568 5.074 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.250 0.467 1.321 1.00 0.00 C ATOM 0 H ILE A 58 8.923 0.826 1.500 1.00 0.00 H new ATOM 0 HA ILE A 58 9.750 -1.001 3.603 1.00 0.00 H new ATOM 0 HB ILE A 58 11.043 1.726 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.165 0.237 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.081 -1.067 2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.343 1.022 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.599 1.088 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.395 -0.481 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.067 -0.038 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.306 0.220 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.408 1.545 1.282 1.00 0.00 H new ATOM 811 N ALA A 59 7.384 0.320 3.855 1.00 0.00 N ATOM 812 CA ALA A 59 6.242 1.010 4.459 1.00 0.00 C ATOM 813 C ALA A 59 5.154 0.068 4.989 1.00 0.00 C ATOM 814 O ALA A 59 4.512 -0.651 4.226 1.00 0.00 O ATOM 815 CB ALA A 59 5.636 1.970 3.442 1.00 0.00 C ATOM 0 H ALA A 59 7.151 -0.541 3.360 1.00 0.00 H new ATOM 0 HA ALA A 59 6.628 1.547 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.786 2.485 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.386 2.702 3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.303 1.411 2.568 1.00 0.00 H new ATOM 821 N VAL A 60 4.916 0.106 6.300 1.00 0.00 N ATOM 822 CA VAL A 60 3.888 -0.714 6.910 1.00 0.00 C ATOM 823 C VAL A 60 2.502 -0.203 6.521 1.00 0.00 C ATOM 824 O VAL A 60 2.177 0.964 6.743 1.00 0.00 O ATOM 825 CB VAL A 60 4.037 -0.719 8.437 1.00 0.00 C ATOM 826 CG1 VAL A 60 5.417 -1.212 8.837 1.00 0.00 C ATOM 827 CG2 VAL A 60 3.768 0.661 9.017 1.00 0.00 C ATOM 0 H VAL A 60 5.426 0.699 6.955 1.00 0.00 H new ATOM 0 HA VAL A 60 4.003 -1.735 6.546 1.00 0.00 H new ATOM 0 HB VAL A 60 3.295 -1.404 8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.504 -1.208 9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.563 -2.226 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.176 -0.556 8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.881 0.628 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.477 1.376 8.600 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.753 0.969 8.767 1.00 0.00 H new ATOM 837 N PHE A 61 1.696 -1.075 5.923 1.00 0.00 N ATOM 838 CA PHE A 61 0.355 -0.700 5.484 1.00 0.00 C ATOM 839 C PHE A 61 -0.730 -1.395 6.297 1.00 0.00 C ATOM 840 O PHE A 61 -0.570 -2.533 6.732 1.00 0.00 O ATOM 841 CB PHE A 61 0.167 -1.038 4.001 1.00 0.00 C ATOM 842 CG PHE A 61 0.689 0.003 3.056 1.00 0.00 C ATOM 843 CD1 PHE A 61 1.896 0.642 3.288 1.00 0.00 C ATOM 844 CD2 PHE A 61 -0.036 0.341 1.925 1.00 0.00 C ATOM 845 CE1 PHE A 61 2.368 1.599 2.409 1.00 0.00 C ATOM 846 CE2 PHE A 61 0.430 1.293 1.043 1.00 0.00 C ATOM 847 CZ PHE A 61 1.634 1.924 1.284 1.00 0.00 C ATOM 0 H PHE A 61 1.947 -2.045 5.731 1.00 0.00 H new ATOM 0 HA PHE A 61 0.259 0.375 5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.665 -1.984 3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.895 -1.187 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.474 0.390 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.979 -0.148 1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.309 2.092 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.146 1.545 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.002 2.670 0.595 1.00 0.00 H new ATOM 857 N HIS A 62 -1.849 -0.701 6.475 1.00 0.00 N ATOM 858 CA HIS A 62 -2.991 -1.236 7.205 1.00 0.00 C ATOM 859 C HIS A 62 -4.275 -0.872 6.466 1.00 0.00 C ATOM 860 O HIS A 62 -4.714 0.277 6.507 1.00 0.00 O ATOM 861 CB HIS A 62 -3.025 -0.684 8.632 1.00 0.00 C ATOM 862 CG HIS A 62 -1.837 -1.070 9.454 1.00 0.00 C ATOM 863 ND1 HIS A 62 -0.548 -0.690 9.143 1.00 0.00 N ATOM 864 CD2 HIS A 62 -1.744 -1.813 10.584 1.00 0.00 C ATOM 865 CE1 HIS A 62 0.285 -1.182 10.042 1.00 0.00 C ATOM 866 NE2 HIS A 62 -0.417 -1.866 10.927 1.00 0.00 N ATOM 0 H HIS A 62 -1.989 0.244 6.119 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.901 -2.321 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.089 0.403 8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.929 -1.038 9.128 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.562 -2.277 11.115 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.357 -1.048 10.052 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.034 -2.355 11.736 1.00 0.00 H new ATOM 875 N PHE A 63 -4.859 -1.841 5.764 1.00 0.00 N ATOM 876 CA PHE A 63 -6.074 -1.580 4.997 1.00 0.00 C ATOM 877 C PHE A 63 -7.309 -2.175 5.657 1.00 0.00 C ATOM 878 O PHE A 63 -7.279 -3.285 6.186 1.00 0.00 O ATOM 879 CB PHE A 63 -5.934 -2.109 3.563 1.00 0.00 C ATOM 880 CG PHE A 63 -5.921 -3.609 3.441 1.00 0.00 C ATOM 881 CD1 PHE A 63 -7.070 -4.349 3.668 1.00 0.00 C ATOM 882 CD2 PHE A 63 -4.764 -4.273 3.070 1.00 0.00 C ATOM 883 CE1 PHE A 63 -7.065 -5.724 3.535 1.00 0.00 C ATOM 884 CE2 PHE A 63 -4.751 -5.649 2.933 1.00 0.00 C ATOM 885 CZ PHE A 63 -5.902 -6.375 3.167 1.00 0.00 C ATOM 0 H PHE A 63 -4.517 -2.800 5.710 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.206 -0.498 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.756 -1.717 2.964 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.012 -1.716 3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.981 -3.844 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.861 -3.710 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.967 -6.289 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.842 -6.155 2.643 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.894 -7.450 3.063 1.00 0.00 H new ATOM 895 N ARG A 64 -8.401 -1.418 5.606 1.00 0.00 N ATOM 896 CA ARG A 64 -9.666 -1.850 6.181 1.00 0.00 C ATOM 897 C ARG A 64 -10.666 -2.184 5.080 1.00 0.00 C ATOM 898 O ARG A 64 -10.629 -1.596 3.996 1.00 0.00 O ATOM 899 CB ARG A 64 -10.247 -0.766 7.095 1.00 0.00 C ATOM 900 CG ARG A 64 -9.421 -0.487 8.343 1.00 0.00 C ATOM 901 CD ARG A 64 -8.075 0.139 8.008 1.00 0.00 C ATOM 902 NE ARG A 64 -8.215 1.340 7.187 1.00 0.00 N ATOM 903 CZ ARG A 64 -8.773 2.474 7.613 1.00 0.00 C ATOM 904 NH1 ARG A 64 -9.202 2.582 8.864 1.00 0.00 N ATOM 905 NH2 ARG A 64 -8.887 3.505 6.789 1.00 0.00 N ATOM 0 H ARG A 64 -8.432 -0.497 5.169 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.477 -2.745 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.346 0.158 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.251 -1.063 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.976 0.179 9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.262 -1.417 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.553 0.391 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.458 -0.589 7.482 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.865 1.309 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.106 1.795 9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.628 3.452 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.548 3.431 5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.314 4.373 7.114 1.00 0.00 H new ATOM 919 N THR A 65 -11.562 -3.123 5.363 1.00 0.00 N ATOM 920 CA THR A 65 -12.577 -3.527 4.398 1.00 0.00 C ATOM 921 C THR A 65 -13.947 -2.983 4.801 1.00 0.00 C ATOM 922 O THR A 65 -14.311 -3.018 5.977 1.00 0.00 O ATOM 923 CB THR A 65 -12.629 -5.052 4.291 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.364 -5.571 3.922 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.639 -5.547 3.278 1.00 0.00 C ATOM 0 H THR A 65 -11.606 -3.619 6.253 1.00 0.00 H new ATOM 0 HA THR A 65 -12.311 -3.113 3.425 1.00 0.00 H new ATOM 0 HB THR A 65 -12.928 -5.401 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.416 -6.548 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.625 -6.637 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.635 -5.204 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.386 -5.157 2.292 1.00 0.00 H new ATOM 933 N PRO A 66 -14.723 -2.467 3.826 1.00 0.00 N ATOM 934 CA PRO A 66 -16.056 -1.908 4.082 1.00 0.00 C ATOM 935 C PRO A 66 -16.898 -2.781 5.007 1.00 0.00 C ATOM 936 O PRO A 66 -17.661 -2.275 5.829 1.00 0.00 O ATOM 937 CB PRO A 66 -16.679 -1.850 2.690 1.00 0.00 C ATOM 938 CG PRO A 66 -15.520 -1.654 1.772 1.00 0.00 C ATOM 939 CD PRO A 66 -14.360 -2.384 2.397 1.00 0.00 C ATOM 0 HA PRO A 66 -16.001 -0.944 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.219 -2.768 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.393 -1.031 2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.739 -2.048 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.294 -0.595 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.228 -3.374 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.424 -1.845 2.253 1.00 0.00 H new ATOM 947 N GLN A 67 -16.754 -4.096 4.869 1.00 0.00 N ATOM 948 CA GLN A 67 -17.503 -5.036 5.696 1.00 0.00 C ATOM 949 C GLN A 67 -17.168 -4.857 7.176 1.00 0.00 C ATOM 950 O GLN A 67 -17.893 -5.337 8.047 1.00 0.00 O ATOM 951 CB GLN A 67 -17.207 -6.472 5.263 1.00 0.00 C ATOM 952 CG GLN A 67 -17.584 -6.764 3.820 1.00 0.00 C ATOM 953 CD GLN A 67 -17.284 -8.193 3.416 1.00 0.00 C ATOM 954 OE1 GLN A 67 -16.135 -8.635 3.466 1.00 0.00 O ATOM 955 NE2 GLN A 67 -18.315 -8.926 3.013 1.00 0.00 N ATOM 0 H GLN A 67 -16.127 -4.534 4.194 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.565 -4.832 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.144 -6.672 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.746 -7.158 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.647 -6.566 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -17.043 -6.083 3.162 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.250 -8.520 2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.172 -9.895 2.729 1.00 0.00 H new ATOM 964 N GLY A 68 -16.065 -4.166 7.454 1.00 0.00 N ATOM 965 CA GLY A 68 -15.656 -3.941 8.828 1.00 0.00 C ATOM 966 C GLY A 68 -14.509 -4.839 9.241 1.00 0.00 C ATOM 967 O GLY A 68 -14.544 -5.448 10.309 1.00 0.00 O ATOM 0 H GLY A 68 -15.448 -3.758 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.361 -2.899 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.505 -4.112 9.490 1.00 0.00 H new ATOM 971 N GLU A 69 -13.491 -4.926 8.390 1.00 0.00 N ATOM 972 CA GLU A 69 -12.330 -5.765 8.675 1.00 0.00 C ATOM 973 C GLU A 69 -11.032 -4.967 8.576 1.00 0.00 C ATOM 974 O GLU A 69 -10.969 -3.947 7.892 1.00 0.00 O ATOM 975 CB GLU A 69 -12.285 -6.954 7.714 1.00 0.00 C ATOM 976 CG GLU A 69 -13.523 -7.836 7.779 1.00 0.00 C ATOM 977 CD GLU A 69 -13.460 -9.001 6.811 1.00 0.00 C ATOM 978 OE1 GLU A 69 -12.530 -9.825 6.934 1.00 0.00 O ATOM 979 OE2 GLU A 69 -14.342 -9.089 5.931 1.00 0.00 O ATOM 0 H GLU A 69 -13.446 -4.428 7.501 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.427 -6.133 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.166 -6.583 6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.406 -7.559 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.640 -8.217 8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.405 -7.234 7.561 1.00 0.00 H new ATOM 986 N LEU A 70 -9.999 -5.444 9.263 1.00 0.00 N ATOM 987 CA LEU A 70 -8.697 -4.783 9.253 1.00 0.00 C ATOM 988 C LEU A 70 -7.594 -5.768 8.877 1.00 0.00 C ATOM 989 O LEU A 70 -7.612 -6.923 9.303 1.00 0.00 O ATOM 990 CB LEU A 70 -8.404 -4.168 10.624 1.00 0.00 C ATOM 991 CG LEU A 70 -7.052 -3.460 10.740 1.00 0.00 C ATOM 992 CD1 LEU A 70 -6.966 -2.308 9.748 1.00 0.00 C ATOM 993 CD2 LEU A 70 -6.836 -2.959 12.160 1.00 0.00 C ATOM 0 H LEU A 70 -10.038 -6.288 9.835 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.723 -3.990 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.193 -3.454 10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.450 -4.956 11.376 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.265 -4.176 10.503 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.998 -1.816 9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.078 -2.692 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.760 -1.590 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.870 -2.458 12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.628 -2.257 12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.855 -3.802 12.850 1.00 0.00 H new ATOM 1005 N VAL A 71 -6.636 -5.308 8.078 1.00 0.00 N ATOM 1006 CA VAL A 71 -5.531 -6.157 7.650 1.00 0.00 C ATOM 1007 C VAL A 71 -4.201 -5.418 7.748 1.00 0.00 C ATOM 1008 O VAL A 71 -4.086 -4.262 7.336 1.00 0.00 O ATOM 1009 CB VAL A 71 -5.727 -6.646 6.204 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -4.603 -7.589 5.797 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -7.082 -7.321 6.048 1.00 0.00 C ATOM 0 H VAL A 71 -6.603 -4.355 7.715 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.516 -7.018 8.318 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.698 -5.780 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.761 -7.923 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.648 -7.068 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.594 -8.453 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.203 -7.660 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.142 -8.176 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.872 -6.611 6.291 1.00 0.00 H new ATOM 1021 N GLU A 72 -3.200 -6.097 8.301 1.00 0.00 N ATOM 1022 CA GLU A 72 -1.875 -5.513 8.461 1.00 0.00 C ATOM 1023 C GLU A 72 -0.977 -5.846 7.273 1.00 0.00 C ATOM 1024 O GLU A 72 -1.122 -6.892 6.641 1.00 0.00 O ATOM 1025 CB GLU A 72 -1.225 -6.007 9.756 1.00 0.00 C ATOM 1026 CG GLU A 72 -1.974 -5.595 11.016 1.00 0.00 C ATOM 1027 CD GLU A 72 -3.372 -6.176 11.087 1.00 0.00 C ATOM 1028 OE1 GLU A 72 -3.500 -7.419 11.086 1.00 0.00 O ATOM 1029 OE2 GLU A 72 -4.339 -5.388 11.145 1.00 0.00 O ATOM 0 H GLU A 72 -3.283 -7.053 8.646 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.994 -4.431 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.156 -7.094 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.206 -5.624 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.408 -5.916 11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.035 -4.508 11.057 1.00 0.00 H new ATOM 1036 N ILE A 73 -0.048 -4.943 6.982 1.00 0.00 N ATOM 1037 CA ILE A 73 0.886 -5.116 5.879 1.00 0.00 C ATOM 1038 C ILE A 73 2.248 -4.545 6.253 1.00 0.00 C ATOM 1039 O ILE A 73 2.337 -3.436 6.779 1.00 0.00 O ATOM 1040 CB ILE A 73 0.385 -4.411 4.601 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -0.951 -4.995 4.143 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.417 -4.511 3.484 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.493 -4.333 2.890 1.00 0.00 C ATOM 0 H ILE A 73 0.078 -4.075 7.502 1.00 0.00 H new ATOM 0 HA ILE A 73 0.967 -6.185 5.682 1.00 0.00 H new ATOM 0 HB ILE A 73 0.236 -3.358 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.830 -6.063 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.681 -4.891 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.040 -4.007 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.346 -4.038 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.604 -5.560 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.443 -4.793 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.645 -3.270 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.781 -4.460 2.074 1.00 0.00 H new ATOM 1055 N ASP A 74 3.308 -5.296 5.979 1.00 0.00 N ATOM 1056 CA ASP A 74 4.650 -4.834 6.294 1.00 0.00 C ATOM 1057 C ASP A 74 5.406 -4.463 5.023 1.00 0.00 C ATOM 1058 O ASP A 74 5.936 -5.326 4.323 1.00 0.00 O ATOM 1059 CB ASP A 74 5.417 -5.898 7.076 1.00 0.00 C ATOM 1060 CG ASP A 74 4.688 -6.332 8.332 1.00 0.00 C ATOM 1061 OD1 ASP A 74 3.550 -6.835 8.215 1.00 0.00 O ATOM 1062 OD2 ASP A 74 5.254 -6.169 9.433 1.00 0.00 O ATOM 0 H ASP A 74 3.264 -6.218 5.544 1.00 0.00 H new ATOM 0 HA ASP A 74 4.563 -3.943 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.582 -6.766 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.399 -5.509 7.345 1.00 0.00 H new ATOM 1067 N GLY A 75 5.444 -3.168 4.740 1.00 0.00 N ATOM 1068 CA GLY A 75 6.122 -2.662 3.569 1.00 0.00 C ATOM 1069 C GLY A 75 7.626 -2.779 3.656 1.00 0.00 C ATOM 1070 O GLY A 75 8.310 -2.550 2.666 1.00 0.00 O ATOM 0 H GLY A 75 5.007 -2.448 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.772 -3.205 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.853 -1.616 3.425 1.00 0.00 H new ATOM 1074 N ARG A 76 8.152 -3.083 4.841 1.00 0.00 N ATOM 1075 CA ARG A 76 9.592 -3.201 5.019 1.00 0.00 C ATOM 1076 C ARG A 76 10.117 -4.452 4.328 1.00 0.00 C ATOM 1077 O ARG A 76 11.163 -4.430 3.679 1.00 0.00 O ATOM 1078 CB ARG A 76 9.965 -3.240 6.504 1.00 0.00 C ATOM 1079 CG ARG A 76 9.527 -2.010 7.281 1.00 0.00 C ATOM 1080 CD ARG A 76 10.155 -1.980 8.667 1.00 0.00 C ATOM 1081 NE ARG A 76 9.888 -3.205 9.421 1.00 0.00 N ATOM 1082 CZ ARG A 76 8.681 -3.569 9.845 1.00 0.00 C ATOM 1083 NH1 ARG A 76 7.632 -2.783 9.635 1.00 0.00 N ATOM 1084 NH2 ARG A 76 8.523 -4.714 10.495 1.00 0.00 N ATOM 0 H ARG A 76 7.604 -3.251 5.685 1.00 0.00 H new ATOM 0 HA ARG A 76 10.052 -2.322 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.516 -4.123 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.046 -3.349 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.808 -1.111 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.441 -2.002 7.371 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.232 -1.841 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.770 -1.124 9.220 1.00 0.00 H new ATOM 0 HE ARG A 76 10.675 -3.817 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.750 -1.895 9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.708 -3.067 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.327 -5.316 10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.597 -4.992 10.820 1.00 0.00 H new ATOM 1098 N ALA A 77 9.377 -5.538 4.479 1.00 0.00 N ATOM 1099 CA ALA A 77 9.744 -6.812 3.884 1.00 0.00 C ATOM 1100 C ALA A 77 8.945 -7.101 2.611 1.00 0.00 C ATOM 1101 O ALA A 77 9.125 -8.146 1.984 1.00 0.00 O ATOM 1102 CB ALA A 77 9.553 -7.936 4.891 1.00 0.00 C ATOM 0 H ALA A 77 8.509 -5.562 5.015 1.00 0.00 H new ATOM 0 HA ALA A 77 10.796 -6.752 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.831 -8.885 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.182 -7.755 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.508 -7.974 5.200 1.00 0.00 H new ATOM 1108 N LEU A 78 8.061 -6.179 2.236 1.00 0.00 N ATOM 1109 CA LEU A 78 7.239 -6.352 1.041 1.00 0.00 C ATOM 1110 C LEU A 78 8.053 -6.102 -0.234 1.00 0.00 C ATOM 1111 O LEU A 78 7.542 -6.234 -1.343 1.00 0.00 O ATOM 1112 CB LEU A 78 6.036 -5.403 1.094 1.00 0.00 C ATOM 1113 CG LEU A 78 4.747 -5.923 0.444 1.00 0.00 C ATOM 1114 CD1 LEU A 78 4.951 -6.202 -1.038 1.00 0.00 C ATOM 1115 CD2 LEU A 78 4.256 -7.175 1.160 1.00 0.00 C ATOM 0 H LEU A 78 7.896 -5.308 2.740 1.00 0.00 H new ATOM 0 HA LEU A 78 6.885 -7.383 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.826 -5.171 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.314 -4.467 0.609 1.00 0.00 H new ATOM 0 HG LEU A 78 3.988 -5.147 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.020 -6.569 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.249 -5.283 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.730 -6.954 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.341 -7.530 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.020 -7.951 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.056 -6.941 2.206 1.00 0.00 H new ATOM 1127 N VAL A 79 9.326 -5.740 -0.074 1.00 0.00 N ATOM 1128 CA VAL A 79 10.195 -5.476 -1.217 1.00 0.00 C ATOM 1129 C VAL A 79 10.113 -6.601 -2.248 1.00 0.00 C ATOM 1130 O VAL A 79 10.728 -7.654 -2.085 1.00 0.00 O ATOM 1131 CB VAL A 79 11.663 -5.304 -0.778 1.00 0.00 C ATOM 1132 CG1 VAL A 79 12.549 -4.970 -1.969 1.00 0.00 C ATOM 1133 CG2 VAL A 79 11.777 -4.232 0.296 1.00 0.00 C ATOM 0 H VAL A 79 9.776 -5.624 0.834 1.00 0.00 H new ATOM 0 HA VAL A 79 9.846 -4.548 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 79 12.006 -6.249 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.580 -4.853 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.494 -5.776 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.209 -4.041 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.820 -4.125 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.412 -3.283 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.181 -4.520 1.162 1.00 0.00 H new ATOM 1143 N ALA A 80 9.351 -6.364 -3.312 1.00 0.00 N ATOM 1144 CA ALA A 80 9.188 -7.349 -4.376 1.00 0.00 C ATOM 1145 C ALA A 80 10.028 -6.976 -5.589 1.00 0.00 C ATOM 1146 O ALA A 80 9.652 -6.100 -6.368 1.00 0.00 O ATOM 1147 CB ALA A 80 7.724 -7.461 -4.764 1.00 0.00 C ATOM 0 H ALA A 80 8.836 -5.496 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 80 9.531 -8.316 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.614 -8.199 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.141 -7.771 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.366 -6.493 -5.115 1.00 0.00 H new ATOM 1153 N ARG A 81 11.167 -7.641 -5.750 1.00 0.00 N ATOM 1154 CA ARG A 81 12.049 -7.363 -6.880 1.00 0.00 C ATOM 1155 C ARG A 81 12.213 -8.599 -7.757 1.00 0.00 C ATOM 1156 O ARG A 81 12.279 -9.719 -7.252 1.00 0.00 O ATOM 1157 CB ARG A 81 13.413 -6.878 -6.391 1.00 0.00 C ATOM 1158 CG ARG A 81 14.236 -6.188 -7.467 1.00 0.00 C ATOM 1159 CD ARG A 81 15.555 -5.670 -6.912 1.00 0.00 C ATOM 1160 NE ARG A 81 16.303 -4.898 -7.902 1.00 0.00 N ATOM 1161 CZ ARG A 81 16.812 -5.413 -9.018 1.00 0.00 C ATOM 1162 NH1 ARG A 81 16.696 -6.710 -9.275 1.00 0.00 N ATOM 1163 NH2 ARG A 81 17.450 -4.630 -9.879 1.00 0.00 N ATOM 0 H ARG A 81 11.500 -8.370 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 81 11.592 -6.574 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.267 -6.189 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.975 -7.729 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.431 -6.886 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.666 -5.359 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.361 -5.047 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.161 -6.511 -6.575 1.00 0.00 H new ATOM 0 HE ARG A 81 16.443 -3.903 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.214 -7.320 -8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.089 -7.097 -10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.550 -3.634 -9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.840 -5.025 -10.735 1.00 0.00 H new ATOM 1177 N PRO A 82 12.278 -8.417 -9.085 1.00 0.00 N ATOM 1178 CA PRO A 82 12.429 -9.530 -10.027 1.00 0.00 C ATOM 1179 C PRO A 82 13.621 -10.429 -9.720 1.00 0.00 C ATOM 1180 O PRO A 82 13.595 -11.626 -10.004 1.00 0.00 O ATOM 1181 CB PRO A 82 12.625 -8.835 -11.376 1.00 0.00 C ATOM 1182 CG PRO A 82 11.989 -7.498 -11.212 1.00 0.00 C ATOM 1183 CD PRO A 82 12.205 -7.115 -9.776 1.00 0.00 C ATOM 0 HA PRO A 82 11.567 -10.196 -9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.683 -8.742 -11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.157 -9.399 -12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.438 -6.766 -11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.926 -7.539 -11.450 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.121 -6.539 -9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.387 -6.503 -9.395 1.00 0.00 H new ATOM 1191 N GLU A 83 14.672 -9.845 -9.167 1.00 0.00 N ATOM 1192 CA GLU A 83 15.886 -10.602 -8.856 1.00 0.00 C ATOM 1193 C GLU A 83 16.120 -10.773 -7.353 1.00 0.00 C ATOM 1194 O GLU A 83 16.884 -11.647 -6.943 1.00 0.00 O ATOM 1195 CB GLU A 83 17.102 -9.927 -9.491 1.00 0.00 C ATOM 1196 CG GLU A 83 16.985 -9.749 -10.997 1.00 0.00 C ATOM 1197 CD GLU A 83 16.849 -11.067 -11.736 1.00 0.00 C ATOM 1198 OE1 GLU A 83 15.862 -11.788 -11.485 1.00 0.00 O ATOM 1199 OE2 GLU A 83 17.730 -11.377 -12.564 1.00 0.00 O ATOM 0 H GLU A 83 14.715 -8.855 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 83 15.746 -11.599 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.247 -8.951 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.991 -10.519 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.121 -9.123 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.864 -9.220 -11.365 1.00 0.00 H new ATOM 1206 N GLU A 84 15.493 -9.938 -6.536 1.00 0.00 N ATOM 1207 CA GLU A 84 15.686 -10.022 -5.087 1.00 0.00 C ATOM 1208 C GLU A 84 14.744 -11.035 -4.444 1.00 0.00 C ATOM 1209 O GLU A 84 15.181 -11.891 -3.678 1.00 0.00 O ATOM 1210 CB GLU A 84 15.500 -8.654 -4.429 1.00 0.00 C ATOM 1211 CG GLU A 84 15.852 -8.633 -2.949 1.00 0.00 C ATOM 1212 CD GLU A 84 17.310 -8.964 -2.686 1.00 0.00 C ATOM 1213 OE1 GLU A 84 17.732 -10.091 -3.016 1.00 0.00 O ATOM 1214 OE2 GLU A 84 18.028 -8.092 -2.152 1.00 0.00 O ATOM 0 H GLU A 84 14.855 -9.203 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 84 16.709 -10.360 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.118 -7.923 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.463 -8.340 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.629 -7.647 -2.541 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.221 -9.347 -2.420 1.00 0.00 H new ATOM 1221 N ARG A 85 13.453 -10.935 -4.746 1.00 0.00 N ATOM 1222 CA ARG A 85 12.478 -11.853 -4.169 1.00 0.00 C ATOM 1223 C ARG A 85 11.432 -12.287 -5.193 1.00 0.00 C ATOM 1224 O ARG A 85 11.511 -13.391 -5.733 1.00 0.00 O ATOM 1225 CB ARG A 85 11.803 -11.221 -2.950 1.00 0.00 C ATOM 1226 CG ARG A 85 10.837 -12.154 -2.239 1.00 0.00 C ATOM 1227 CD ARG A 85 10.373 -11.570 -0.913 1.00 0.00 C ATOM 1228 NE ARG A 85 9.653 -10.312 -1.085 1.00 0.00 N ATOM 1229 CZ ARG A 85 8.455 -10.215 -1.656 1.00 0.00 C ATOM 1230 NH1 ARG A 85 7.822 -11.302 -2.080 1.00 0.00 N ATOM 1231 NH2 ARG A 85 7.885 -9.027 -1.795 1.00 0.00 N ATOM 0 H ARG A 85 13.062 -10.237 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 85 13.017 -12.746 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.570 -10.900 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.266 -10.327 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.974 -12.341 -2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.320 -13.116 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.729 -12.289 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.236 -11.407 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 85 10.094 -9.457 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.254 -12.219 -1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.904 -11.220 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.364 -8.190 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.967 -8.950 -2.232 1.00 0.00 H new ATOM 1245 N ILE A 86 10.448 -11.429 -5.455 1.00 0.00 N ATOM 1246 CA ILE A 86 9.401 -11.770 -6.410 1.00 0.00 C ATOM 1247 C ILE A 86 9.946 -11.827 -7.835 1.00 0.00 C ATOM 1248 O ILE A 86 10.475 -10.846 -8.349 1.00 0.00 O ATOM 1249 CB ILE A 86 8.208 -10.788 -6.345 1.00 0.00 C ATOM 1250 CG1 ILE A 86 7.548 -10.859 -4.963 1.00 0.00 C ATOM 1251 CG2 ILE A 86 7.192 -11.101 -7.444 1.00 0.00 C ATOM 1252 CD1 ILE A 86 6.258 -10.071 -4.853 1.00 0.00 C ATOM 0 H ILE A 86 10.355 -10.508 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 86 9.040 -12.759 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 86 8.578 -9.775 -6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.346 -11.903 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.252 -10.490 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.360 -10.399 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.671 -11.010 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.819 -12.117 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.854 -10.173 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.455 -9.019 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.535 -10.454 -5.574 1.00 0.00 H new TER 1264 ILE A 86