USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 106 THR OG1 : rot 180:sc= 0.507 USER MOD Set 1.2: A 115 THR OG1 : rot -95:sc= -5.05! USER MOD Set 2.1: A 49 ASN : amide:sc= -0.229 X(o=-10,f=-11) USER MOD Set 2.2: A 53 GLN :FLIP amide:sc= -2.83! C(o=-11!,f=-10!) USER MOD Set 2.3: A 65 MET CE :methyl -154:sc= -7.23! (180deg=-9.59!) USER MOD Set 3.1: A 44 TYR OH : rot -154:sc= 0.768 USER MOD Set 3.2: A 114 CYS SG : rot 59:sc= -0.926 USER MOD Single : A 1 GLY N :NH3+ -170:sc= -0.0288 (180deg=-0.142) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 121:sc= 0.00153 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 24:sc= -5.42! USER MOD Single : A 28 SER OG : rot 180:sc= -1.64 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= -3.51 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.85! C(o=-2.8!,f=-3.2!) USER MOD Single : A 43 GLN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 46 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.23 (180deg=0.23) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.037 USER MOD Single : A 92 MET CE :methyl -127:sc= -0.887 (180deg=-3.98!) USER MOD Single : A 94 HIS : no HE2:sc= -3.28 K(o=-3.3,f=-5.6!) USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0.1 (180deg=0.1) USER MOD Single : A 105 THR OG1 : rot 180:sc= -1.71 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 35:sc= 0.0806 USER MOD Single : A 117 CYS SG : rot -140:sc= -2.38 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.643 18.545 1.461 1.00 0.00 N ATOM 2 CA GLY A 1 -13.647 17.680 2.151 1.00 0.00 C ATOM 3 C GLY A 1 -14.166 17.136 3.467 1.00 0.00 C ATOM 4 O GLY A 1 -13.735 16.075 3.921 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.313 18.754 0.497 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.558 18.052 1.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.755 19.434 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.378 16.849 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.737 18.252 2.331 1.00 0.00 H new ATOM 10 N LEU A 2 -15.094 17.862 4.082 1.00 0.00 N ATOM 11 CA LEU A 2 -15.673 17.447 5.354 1.00 0.00 C ATOM 12 C LEU A 2 -14.598 17.322 6.428 1.00 0.00 C ATOM 13 O LEU A 2 -13.405 17.431 6.142 1.00 0.00 O ATOM 14 CB LEU A 2 -16.413 16.118 5.193 1.00 0.00 C ATOM 15 CG LEU A 2 -17.775 16.048 5.884 1.00 0.00 C ATOM 16 CD1 LEU A 2 -18.881 16.467 4.926 1.00 0.00 C ATOM 17 CD2 LEU A 2 -18.033 14.647 6.417 1.00 0.00 C ATOM 0 H LEU A 2 -15.461 18.742 3.719 1.00 0.00 H new ATOM 0 HA LEU A 2 -16.383 18.212 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -16.552 15.923 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.783 15.319 5.584 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.769 16.740 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -19.843 16.411 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -18.706 17.490 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -18.887 15.800 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -19.007 14.617 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -18.019 13.935 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -17.258 14.383 7.137 1.00 0.00 H new ATOM 29 N THR A 3 -15.027 17.090 7.666 1.00 0.00 N ATOM 30 CA THR A 3 -14.102 16.949 8.785 1.00 0.00 C ATOM 31 C THR A 3 -13.013 15.926 8.467 1.00 0.00 C ATOM 32 O THR A 3 -11.858 16.088 8.857 1.00 0.00 O ATOM 33 CB THR A 3 -14.869 16.545 10.052 1.00 0.00 C ATOM 34 OG1 THR A 3 -14.354 17.221 11.185 1.00 0.00 O ATOM 35 CG2 THR A 3 -14.830 15.059 10.352 1.00 0.00 C ATOM 0 H THR A 3 -16.011 16.996 7.919 1.00 0.00 H new ATOM 0 HA THR A 3 -13.618 17.910 8.957 1.00 0.00 H new ATOM 0 HB THR A 3 -15.903 16.824 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.856 16.952 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.395 14.857 11.262 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.271 14.508 9.521 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.796 14.742 10.489 1.00 0.00 H new ATOM 43 N ALA A 4 -13.398 14.873 7.752 1.00 0.00 N ATOM 44 CA ALA A 4 -12.466 13.819 7.374 1.00 0.00 C ATOM 45 C ALA A 4 -11.222 14.394 6.704 1.00 0.00 C ATOM 46 O ALA A 4 -10.144 13.801 6.760 1.00 0.00 O ATOM 47 CB ALA A 4 -13.153 12.822 6.453 1.00 0.00 C ATOM 0 H ALA A 4 -14.352 14.728 7.423 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.147 13.305 8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.449 12.038 6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.005 12.379 6.968 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.498 13.334 5.555 1.00 0.00 H new ATOM 53 N THR A 5 -11.377 15.556 6.075 1.00 0.00 N ATOM 54 CA THR A 5 -10.265 16.214 5.400 1.00 0.00 C ATOM 55 C THR A 5 -9.116 16.478 6.372 1.00 0.00 C ATOM 56 O THR A 5 -7.965 16.625 5.962 1.00 0.00 O ATOM 57 CB THR A 5 -10.732 17.526 4.762 1.00 0.00 C ATOM 58 OG1 THR A 5 -9.773 18.003 3.836 1.00 0.00 O ATOM 59 CG2 THR A 5 -10.987 18.632 5.767 1.00 0.00 C ATOM 0 H THR A 5 -12.262 16.060 6.019 1.00 0.00 H new ATOM 0 HA THR A 5 -9.902 15.550 4.615 1.00 0.00 H new ATOM 0 HB THR A 5 -11.674 17.283 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.090 18.841 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.315 19.530 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.761 18.317 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.069 18.845 6.314 1.00 0.00 H new ATOM 67 N LEU A 6 -9.440 16.538 7.662 1.00 0.00 N ATOM 68 CA LEU A 6 -8.437 16.784 8.693 1.00 0.00 C ATOM 69 C LEU A 6 -7.779 18.146 8.498 1.00 0.00 C ATOM 70 O LEU A 6 -6.608 18.333 8.823 1.00 0.00 O ATOM 71 CB LEU A 6 -7.375 15.682 8.676 1.00 0.00 C ATOM 72 CG LEU A 6 -7.697 14.460 9.537 1.00 0.00 C ATOM 73 CD1 LEU A 6 -6.734 13.323 9.232 1.00 0.00 C ATOM 74 CD2 LEU A 6 -7.646 14.822 11.015 1.00 0.00 C ATOM 0 H LEU A 6 -10.389 16.420 8.017 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.938 16.779 9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.230 15.354 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.429 16.105 9.012 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.707 14.127 9.298 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.979 12.462 9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.818 13.047 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.714 13.644 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.878 13.941 11.614 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.648 15.180 11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.376 15.604 11.223 1.00 0.00 H new ATOM 86 N ALA A 7 -8.544 19.095 7.967 1.00 0.00 N ATOM 87 CA ALA A 7 -8.037 20.441 7.730 1.00 0.00 C ATOM 88 C ALA A 7 -6.849 20.421 6.773 1.00 0.00 C ATOM 89 O ALA A 7 -5.747 20.842 7.126 1.00 0.00 O ATOM 90 CB ALA A 7 -7.650 21.096 9.047 1.00 0.00 C ATOM 0 H ALA A 7 -9.517 18.956 7.693 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.830 21.027 7.266 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.273 22.101 8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.524 21.153 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.875 20.504 9.534 1.00 0.00 H new ATOM 96 N ALA A 8 -7.081 19.927 5.560 1.00 0.00 N ATOM 97 CA ALA A 8 -6.031 19.849 4.549 1.00 0.00 C ATOM 98 C ALA A 8 -5.014 18.770 4.902 1.00 0.00 C ATOM 99 O ALA A 8 -4.252 18.911 5.858 1.00 0.00 O ATOM 100 CB ALA A 8 -5.342 21.197 4.387 1.00 0.00 C ATOM 0 H ALA A 8 -7.988 19.574 5.253 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.496 19.581 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.563 21.118 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.073 21.945 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.896 21.494 5.336 1.00 0.00 H new ATOM 106 N LEU A 9 -5.011 17.692 4.126 1.00 0.00 N ATOM 107 CA LEU A 9 -4.091 16.587 4.358 1.00 0.00 C ATOM 108 C LEU A 9 -2.642 17.065 4.329 1.00 0.00 C ATOM 109 O LEU A 9 -2.266 17.885 3.491 1.00 0.00 O ATOM 110 CB LEU A 9 -4.301 15.492 3.310 1.00 0.00 C ATOM 111 CG LEU A 9 -5.724 14.935 3.233 1.00 0.00 C ATOM 112 CD1 LEU A 9 -5.897 14.086 1.983 1.00 0.00 C ATOM 113 CD2 LEU A 9 -6.046 14.126 4.480 1.00 0.00 C ATOM 0 H LEU A 9 -5.636 17.561 3.331 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.298 16.179 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.029 15.889 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.616 14.671 3.522 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.421 15.772 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.915 13.698 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.708 14.696 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.193 13.255 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.062 13.737 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.345 13.296 4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.963 14.764 5.360 1.00 0.00 H new ATOM 125 N THR A 10 -1.834 16.549 5.249 1.00 0.00 N ATOM 126 CA THR A 10 -0.428 16.924 5.329 1.00 0.00 C ATOM 127 C THR A 10 0.399 16.169 4.294 1.00 0.00 C ATOM 128 O THR A 10 -0.115 15.302 3.586 1.00 0.00 O ATOM 129 CB THR A 10 0.117 16.647 6.731 1.00 0.00 C ATOM 130 OG1 THR A 10 0.232 15.253 6.958 1.00 0.00 O ATOM 131 CG2 THR A 10 -0.746 17.221 7.834 1.00 0.00 C ATOM 0 H THR A 10 -2.129 15.869 5.950 1.00 0.00 H new ATOM 0 HA THR A 10 -0.352 17.991 5.120 1.00 0.00 H new ATOM 0 HB THR A 10 1.091 17.135 6.763 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.165 15.030 7.157 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.302 16.988 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.814 18.303 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.744 16.786 7.779 1.00 0.00 H new ATOM 139 N ASP A 11 1.682 16.504 4.210 1.00 0.00 N ATOM 140 CA ASP A 11 2.581 15.857 3.261 1.00 0.00 C ATOM 141 C ASP A 11 2.661 14.357 3.521 1.00 0.00 C ATOM 142 O ASP A 11 2.873 13.567 2.602 1.00 0.00 O ATOM 143 CB ASP A 11 3.978 16.477 3.347 1.00 0.00 C ATOM 144 CG ASP A 11 4.184 17.579 2.326 1.00 0.00 C ATOM 145 OD1 ASP A 11 3.826 18.739 2.624 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.706 17.285 1.231 1.00 0.00 O ATOM 0 H ASP A 11 2.123 17.220 4.788 1.00 0.00 H new ATOM 0 HA ASP A 11 2.182 16.012 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.133 16.879 4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.727 15.700 3.196 1.00 0.00 H new ATOM 151 N ASP A 12 2.489 13.969 4.782 1.00 0.00 N ATOM 152 CA ASP A 12 2.540 12.562 5.163 1.00 0.00 C ATOM 153 C ASP A 12 1.504 11.750 4.393 1.00 0.00 C ATOM 154 O ASP A 12 1.713 10.571 4.107 1.00 0.00 O ATOM 155 CB ASP A 12 2.308 12.411 6.668 1.00 0.00 C ATOM 156 CG ASP A 12 3.414 13.045 7.490 1.00 0.00 C ATOM 157 OD1 ASP A 12 3.355 14.271 7.719 1.00 0.00 O ATOM 158 OD2 ASP A 12 4.338 12.314 7.904 1.00 0.00 O ATOM 0 H ASP A 12 2.313 14.609 5.556 1.00 0.00 H new ATOM 0 HA ASP A 12 3.530 12.181 4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.354 12.867 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.235 11.352 6.917 1.00 0.00 H new ATOM 163 N ASP A 13 0.387 12.388 4.062 1.00 0.00 N ATOM 164 CA ASP A 13 -0.682 11.725 3.325 1.00 0.00 C ATOM 165 C ASP A 13 -0.211 11.313 1.934 1.00 0.00 C ATOM 166 O ASP A 13 -0.354 10.157 1.537 1.00 0.00 O ATOM 167 CB ASP A 13 -1.902 12.643 3.217 1.00 0.00 C ATOM 168 CG ASP A 13 -3.200 11.916 3.504 1.00 0.00 C ATOM 169 OD1 ASP A 13 -3.333 11.355 4.612 1.00 0.00 O ATOM 170 OD2 ASP A 13 -4.084 11.907 2.621 1.00 0.00 O ATOM 0 H ASP A 13 0.198 13.364 4.292 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.963 10.825 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.792 13.473 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.943 13.072 2.216 1.00 0.00 H new ATOM 175 N PHE A 14 0.351 12.267 1.197 1.00 0.00 N ATOM 176 CA PHE A 14 0.844 12.001 -0.149 1.00 0.00 C ATOM 177 C PHE A 14 2.126 11.175 -0.108 1.00 0.00 C ATOM 178 O PHE A 14 2.415 10.415 -1.033 1.00 0.00 O ATOM 179 CB PHE A 14 1.093 13.313 -0.895 1.00 0.00 C ATOM 180 CG PHE A 14 -0.163 14.083 -1.188 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.678 14.971 -0.258 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.827 13.919 -2.394 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.833 15.682 -0.524 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.981 14.628 -2.665 1.00 0.00 C ATOM 185 CZ PHE A 14 -2.485 15.510 -1.729 1.00 0.00 C ATOM 0 H PHE A 14 0.476 13.230 1.510 1.00 0.00 H new ATOM 0 HA PHE A 14 0.082 11.429 -0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.763 13.937 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.605 13.097 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.171 15.109 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.438 13.230 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.225 16.371 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.489 14.493 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.388 16.064 -1.939 1.00 0.00 H new ATOM 195 N GLN A 15 2.886 11.317 0.973 1.00 0.00 N ATOM 196 CA GLN A 15 4.126 10.573 1.133 1.00 0.00 C ATOM 197 C GLN A 15 3.814 9.127 1.482 1.00 0.00 C ATOM 198 O GLN A 15 4.496 8.202 1.035 1.00 0.00 O ATOM 199 CB GLN A 15 4.994 11.204 2.224 1.00 0.00 C ATOM 200 CG GLN A 15 6.481 11.181 1.906 1.00 0.00 C ATOM 201 CD GLN A 15 7.101 12.564 1.903 1.00 0.00 C ATOM 202 OE1 GLN A 15 6.946 13.329 2.855 1.00 0.00 O ATOM 203 NE2 GLN A 15 7.808 12.893 0.829 1.00 0.00 N ATOM 0 H GLN A 15 2.664 11.940 1.749 1.00 0.00 H new ATOM 0 HA GLN A 15 4.679 10.604 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.679 12.236 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.823 10.677 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.995 10.559 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.633 10.717 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.911 12.228 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.249 13.811 0.770 1.00 0.00 H new ATOM 212 N PHE A 16 2.766 8.942 2.275 1.00 0.00 N ATOM 213 CA PHE A 16 2.345 7.612 2.678 1.00 0.00 C ATOM 214 C PHE A 16 1.916 6.806 1.457 1.00 0.00 C ATOM 215 O PHE A 16 2.158 5.601 1.379 1.00 0.00 O ATOM 216 CB PHE A 16 1.195 7.696 3.685 1.00 0.00 C ATOM 217 CG PHE A 16 0.652 6.355 4.092 1.00 0.00 C ATOM 218 CD1 PHE A 16 -0.371 5.760 3.371 1.00 0.00 C ATOM 219 CD2 PHE A 16 1.167 5.688 5.192 1.00 0.00 C ATOM 220 CE1 PHE A 16 -0.872 4.527 3.740 1.00 0.00 C ATOM 221 CE2 PHE A 16 0.670 4.454 5.567 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.351 3.873 4.839 1.00 0.00 C ATOM 0 H PHE A 16 2.194 9.698 2.650 1.00 0.00 H new ATOM 0 HA PHE A 16 3.187 7.111 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.540 8.224 4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.389 8.290 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.781 6.267 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.966 6.138 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.670 4.075 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.079 3.945 6.427 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.741 2.909 5.129 1.00 0.00 H new ATOM 232 N LEU A 17 1.283 7.485 0.506 1.00 0.00 N ATOM 233 CA LEU A 17 0.822 6.836 -0.713 1.00 0.00 C ATOM 234 C LEU A 17 2.001 6.302 -1.515 1.00 0.00 C ATOM 235 O LEU A 17 1.933 5.219 -2.094 1.00 0.00 O ATOM 236 CB LEU A 17 -0.003 7.805 -1.558 1.00 0.00 C ATOM 237 CG LEU A 17 -1.515 7.660 -1.387 1.00 0.00 C ATOM 238 CD1 LEU A 17 -2.084 8.835 -0.605 1.00 0.00 C ATOM 239 CD2 LEU A 17 -2.200 7.535 -2.741 1.00 0.00 C ATOM 0 H LEU A 17 1.078 8.483 0.557 1.00 0.00 H new ATOM 0 HA LEU A 17 0.187 5.995 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.283 8.825 -1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.248 7.657 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.707 6.748 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.161 8.711 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.621 8.874 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.878 9.762 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.276 7.433 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.997 8.426 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.819 6.657 -3.262 1.00 0.00 H new ATOM 251 N SER A 18 3.096 7.052 -1.531 1.00 0.00 N ATOM 252 CA SER A 18 4.285 6.614 -2.245 1.00 0.00 C ATOM 253 C SER A 18 4.721 5.258 -1.702 1.00 0.00 C ATOM 254 O SER A 18 5.234 4.410 -2.434 1.00 0.00 O ATOM 255 CB SER A 18 5.412 7.639 -2.092 1.00 0.00 C ATOM 256 OG SER A 18 5.915 8.036 -3.356 1.00 0.00 O ATOM 0 H SER A 18 3.184 7.954 -1.064 1.00 0.00 H new ATOM 0 HA SER A 18 4.056 6.523 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.043 8.512 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.217 7.212 -1.494 1.00 0.00 H new ATOM 0 HG SER A 18 6.632 8.692 -3.231 1.00 0.00 H new ATOM 262 N ASP A 19 4.496 5.068 -0.404 1.00 0.00 N ATOM 263 CA ASP A 19 4.841 3.825 0.272 1.00 0.00 C ATOM 264 C ASP A 19 3.821 2.726 -0.022 1.00 0.00 C ATOM 265 O ASP A 19 4.190 1.605 -0.367 1.00 0.00 O ATOM 266 CB ASP A 19 4.929 4.058 1.781 1.00 0.00 C ATOM 267 CG ASP A 19 6.359 4.084 2.281 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.259 4.429 1.486 1.00 0.00 O ATOM 269 OD2 ASP A 19 6.581 3.760 3.467 1.00 0.00 O ATOM 0 H ASP A 19 4.072 5.769 0.204 1.00 0.00 H new ATOM 0 HA ASP A 19 5.810 3.497 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.444 5.002 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.380 3.272 2.300 1.00 0.00 H new ATOM 274 N VAL A 20 2.534 3.046 0.134 1.00 0.00 N ATOM 275 CA VAL A 20 1.476 2.068 -0.101 1.00 0.00 C ATOM 276 C VAL A 20 1.591 1.452 -1.494 1.00 0.00 C ATOM 277 O VAL A 20 1.223 0.296 -1.705 1.00 0.00 O ATOM 278 CB VAL A 20 0.071 2.685 0.079 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.290 3.584 -1.093 1.00 0.00 C ATOM 280 CG2 VAL A 20 -0.973 1.595 0.263 1.00 0.00 C ATOM 0 H VAL A 20 2.204 3.968 0.420 1.00 0.00 H new ATOM 0 HA VAL A 20 1.605 1.284 0.646 1.00 0.00 H new ATOM 0 HB VAL A 20 0.088 3.301 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.284 4.003 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.437 4.393 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.282 3.002 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.956 2.050 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.982 0.948 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.731 1.005 1.147 1.00 0.00 H new ATOM 290 N LEU A 21 2.110 2.230 -2.438 1.00 0.00 N ATOM 291 CA LEU A 21 2.279 1.761 -3.807 1.00 0.00 C ATOM 292 C LEU A 21 3.599 1.012 -3.961 1.00 0.00 C ATOM 293 O LEU A 21 3.686 0.033 -4.702 1.00 0.00 O ATOM 294 CB LEU A 21 2.228 2.938 -4.784 1.00 0.00 C ATOM 295 CG LEU A 21 0.950 3.776 -4.722 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.063 4.989 -5.632 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.258 2.933 -5.101 1.00 0.00 C ATOM 0 H LEU A 21 2.421 3.188 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 21 1.462 1.076 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.081 3.589 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.344 2.554 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 21 0.817 4.127 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.145 5.573 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.905 5.604 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.220 4.660 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.159 3.545 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.133 2.553 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.349 2.096 -4.409 1.00 0.00 H new ATOM 309 N ASP A 22 4.622 1.475 -3.251 1.00 0.00 N ATOM 310 CA ASP A 22 5.938 0.848 -3.302 1.00 0.00 C ATOM 311 C ASP A 22 5.869 -0.605 -2.834 1.00 0.00 C ATOM 312 O ASP A 22 6.743 -1.412 -3.152 1.00 0.00 O ATOM 313 CB ASP A 22 6.932 1.629 -2.440 1.00 0.00 C ATOM 314 CG ASP A 22 8.062 2.227 -3.256 1.00 0.00 C ATOM 315 OD1 ASP A 22 7.782 2.773 -4.344 1.00 0.00 O ATOM 316 OD2 ASP A 22 9.225 2.149 -2.808 1.00 0.00 O ATOM 0 H ASP A 22 4.565 2.284 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 22 6.279 0.860 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.405 2.426 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.347 0.967 -1.680 1.00 0.00 H new ATOM 321 N CYS A 23 4.823 -0.930 -2.078 1.00 0.00 N ATOM 322 CA CYS A 23 4.636 -2.282 -1.562 1.00 0.00 C ATOM 323 C CYS A 23 4.647 -3.308 -2.691 1.00 0.00 C ATOM 324 O CYS A 23 4.477 -2.961 -3.859 1.00 0.00 O ATOM 325 CB CYS A 23 3.320 -2.365 -0.786 1.00 0.00 C ATOM 326 SG CYS A 23 3.122 -1.068 0.456 1.00 0.00 S ATOM 0 H CYS A 23 4.091 -0.273 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 23 5.465 -2.510 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.490 -2.310 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.259 -3.337 -0.296 1.00 0.00 H new ATOM 0 HG CYS A 23 3.849 -0.041 0.130 1.00 0.00 H new ATOM 332 N ARG A 24 4.852 -4.571 -2.333 1.00 0.00 N ATOM 333 CA ARG A 24 4.892 -5.648 -3.315 1.00 0.00 C ATOM 334 C ARG A 24 3.555 -6.377 -3.389 1.00 0.00 C ATOM 335 O ARG A 24 3.166 -6.874 -4.446 1.00 0.00 O ATOM 336 CB ARG A 24 6.007 -6.637 -2.971 1.00 0.00 C ATOM 337 CG ARG A 24 7.309 -6.363 -3.706 1.00 0.00 C ATOM 338 CD ARG A 24 7.892 -5.015 -3.318 1.00 0.00 C ATOM 339 NE ARG A 24 8.616 -4.393 -4.423 1.00 0.00 N ATOM 340 CZ ARG A 24 9.852 -4.732 -4.786 1.00 0.00 C ATOM 341 NH1 ARG A 24 10.502 -5.688 -4.135 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.439 -4.114 -5.802 1.00 0.00 N ATOM 0 H ARG A 24 4.993 -4.874 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 24 5.093 -5.205 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.192 -6.605 -1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.672 -7.647 -3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.028 -7.150 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.134 -6.389 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.089 -4.353 -2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.565 -5.142 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 24 8.147 -3.655 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.055 -6.167 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.448 -5.944 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.944 -3.378 -6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.385 -4.374 -6.079 1.00 0.00 H new ATOM 356 N ALA A 25 2.856 -6.446 -2.259 1.00 0.00 N ATOM 357 CA ALA A 25 1.566 -7.122 -2.204 1.00 0.00 C ATOM 358 C ALA A 25 0.489 -6.221 -1.609 1.00 0.00 C ATOM 359 O ALA A 25 0.756 -5.425 -0.709 1.00 0.00 O ATOM 360 CB ALA A 25 1.682 -8.407 -1.399 1.00 0.00 C ATOM 0 H ALA A 25 3.161 -6.043 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 25 1.271 -7.365 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.712 -8.904 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.411 -9.067 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.006 -8.173 -0.385 1.00 0.00 H new ATOM 366 N VAL A 26 -0.731 -6.359 -2.118 1.00 0.00 N ATOM 367 CA VAL A 26 -1.857 -5.566 -1.640 1.00 0.00 C ATOM 368 C VAL A 26 -3.067 -6.453 -1.374 1.00 0.00 C ATOM 369 O VAL A 26 -3.706 -6.944 -2.303 1.00 0.00 O ATOM 370 CB VAL A 26 -2.248 -4.473 -2.653 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.299 -3.546 -2.060 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.021 -3.689 -3.094 1.00 0.00 C ATOM 0 H VAL A 26 -0.965 -7.015 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.542 -5.089 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.677 -4.955 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.563 -2.781 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.188 -4.122 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.901 -3.071 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.317 -2.922 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.559 -3.218 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.306 -4.365 -3.563 1.00 0.00 H new ATOM 382 N ARG A 27 -3.372 -6.661 -0.098 1.00 0.00 N ATOM 383 CA ARG A 27 -4.502 -7.496 0.290 1.00 0.00 C ATOM 384 C ARG A 27 -5.248 -6.895 1.476 1.00 0.00 C ATOM 385 O ARG A 27 -4.930 -5.798 1.931 1.00 0.00 O ATOM 386 CB ARG A 27 -4.020 -8.905 0.639 1.00 0.00 C ATOM 387 CG ARG A 27 -4.117 -9.884 -0.518 1.00 0.00 C ATOM 388 CD ARG A 27 -5.437 -10.639 -0.500 1.00 0.00 C ATOM 389 NE ARG A 27 -5.265 -12.048 -0.844 1.00 0.00 N ATOM 390 CZ ARG A 27 -4.866 -12.474 -2.041 1.00 0.00 C ATOM 391 NH1 ARG A 27 -4.600 -11.605 -3.009 1.00 0.00 N ATOM 392 NH2 ARG A 27 -4.732 -13.773 -2.271 1.00 0.00 N ATOM 0 H ARG A 27 -2.853 -6.263 0.685 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.188 -7.548 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.984 -8.853 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.607 -9.284 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.017 -9.346 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.290 -10.593 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.887 -10.560 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.129 -10.176 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.462 -12.746 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.701 -10.604 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.295 -11.938 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.935 -14.445 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.426 -14.100 -3.188 1.00 0.00 H new ATOM 406 N SER A 28 -6.244 -7.624 1.971 1.00 0.00 N ATOM 407 CA SER A 28 -7.036 -7.166 3.106 1.00 0.00 C ATOM 408 C SER A 28 -6.772 -8.027 4.336 1.00 0.00 C ATOM 409 O SER A 28 -6.552 -9.233 4.225 1.00 0.00 O ATOM 410 CB SER A 28 -8.525 -7.197 2.761 1.00 0.00 C ATOM 411 OG SER A 28 -9.244 -6.239 3.519 1.00 0.00 O ATOM 0 H SER A 28 -6.521 -8.534 1.603 1.00 0.00 H new ATOM 0 HA SER A 28 -6.742 -6.141 3.331 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.659 -6.999 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.925 -8.192 2.953 1.00 0.00 H new ATOM 0 HG SER A 28 -10.193 -6.277 3.279 1.00 0.00 H new ATOM 417 N ALA A 29 -6.799 -7.401 5.507 1.00 0.00 N ATOM 418 CA ALA A 29 -6.566 -8.114 6.757 1.00 0.00 C ATOM 419 C ALA A 29 -7.677 -9.123 7.013 1.00 0.00 C ATOM 420 O ALA A 29 -7.421 -10.250 7.437 1.00 0.00 O ATOM 421 CB ALA A 29 -6.459 -7.135 7.916 1.00 0.00 C ATOM 0 H ALA A 29 -6.980 -6.403 5.617 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.623 -8.655 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.285 -7.684 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.629 -6.451 7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.386 -6.567 8.000 1.00 0.00 H new ATOM 427 N MET A 30 -8.912 -8.712 6.745 1.00 0.00 N ATOM 428 CA MET A 30 -10.066 -9.583 6.939 1.00 0.00 C ATOM 429 C MET A 30 -9.928 -10.854 6.105 1.00 0.00 C ATOM 430 O MET A 30 -10.476 -11.899 6.453 1.00 0.00 O ATOM 431 CB MET A 30 -11.355 -8.847 6.567 1.00 0.00 C ATOM 432 CG MET A 30 -12.055 -8.209 7.755 1.00 0.00 C ATOM 433 SD MET A 30 -13.536 -9.109 8.258 1.00 0.00 S ATOM 434 CE MET A 30 -14.418 -7.836 9.156 1.00 0.00 C ATOM 0 H MET A 30 -9.140 -7.782 6.393 1.00 0.00 H new ATOM 0 HA MET A 30 -10.111 -9.863 7.991 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.124 -8.074 5.834 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.038 -9.548 6.087 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.363 -8.159 8.595 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.326 -7.184 7.504 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.358 -8.240 9.531 1.00 0.00 H new ATOM 0 HE2 MET A 30 -13.810 -7.494 9.994 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.623 -6.997 8.491 1.00 0.00 H new ATOM 444 N ASN A 31 -9.192 -10.753 5.000 1.00 0.00 N ATOM 445 CA ASN A 31 -8.979 -11.892 4.116 1.00 0.00 C ATOM 446 C ASN A 31 -7.668 -11.745 3.349 1.00 0.00 C ATOM 447 O ASN A 31 -7.666 -11.528 2.137 1.00 0.00 O ATOM 448 CB ASN A 31 -10.148 -12.029 3.136 1.00 0.00 C ATOM 449 CG ASN A 31 -11.210 -12.988 3.634 1.00 0.00 C ATOM 450 OD1 ASN A 31 -11.990 -12.660 4.528 1.00 0.00 O ATOM 451 ND2 ASN A 31 -11.246 -14.183 3.055 1.00 0.00 N ATOM 0 H ASN A 31 -8.734 -9.893 4.697 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.922 -12.792 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.596 -11.049 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.773 -12.375 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.940 -14.871 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.580 -14.413 2.317 1.00 0.00 H new ATOM 458 N LEU A 32 -6.554 -11.865 4.064 1.00 0.00 N ATOM 459 CA LEU A 32 -5.235 -11.745 3.451 1.00 0.00 C ATOM 460 C LEU A 32 -4.929 -12.950 2.561 1.00 0.00 C ATOM 461 O LEU A 32 -4.035 -12.896 1.716 1.00 0.00 O ATOM 462 CB LEU A 32 -4.159 -11.612 4.534 1.00 0.00 C ATOM 463 CG LEU A 32 -3.607 -10.198 4.735 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.470 -10.208 5.747 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.138 -9.612 3.410 1.00 0.00 C ATOM 0 H LEU A 32 -6.538 -12.045 5.068 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.233 -10.850 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.573 -11.961 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.331 -12.276 4.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.408 -9.569 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.090 -9.195 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.836 -10.584 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.668 -10.853 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.749 -8.607 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.352 -10.241 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.976 -9.568 2.715 1.00 0.00 H new ATOM 477 N ARG A 33 -5.669 -14.039 2.758 1.00 0.00 N ATOM 478 CA ARG A 33 -5.466 -15.254 1.978 1.00 0.00 C ATOM 479 C ARG A 33 -6.051 -15.122 0.574 1.00 0.00 C ATOM 480 O ARG A 33 -5.583 -15.770 -0.363 1.00 0.00 O ATOM 481 CB ARG A 33 -6.096 -16.451 2.692 1.00 0.00 C ATOM 482 CG ARG A 33 -5.644 -16.605 4.136 1.00 0.00 C ATOM 483 CD ARG A 33 -4.150 -16.870 4.226 1.00 0.00 C ATOM 484 NE ARG A 33 -3.832 -17.872 5.240 1.00 0.00 N ATOM 485 CZ ARG A 33 -3.970 -17.672 6.549 1.00 0.00 C ATOM 486 NH1 ARG A 33 -4.420 -16.510 7.006 1.00 0.00 N ATOM 487 NH2 ARG A 33 -3.658 -18.637 7.404 1.00 0.00 N ATOM 0 H ARG A 33 -6.414 -14.103 3.452 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.392 -15.412 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.181 -16.348 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.851 -17.361 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.889 -15.701 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.189 -17.425 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.782 -17.206 3.256 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.630 -15.941 4.459 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.484 -18.778 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.662 -15.765 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.524 -16.362 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.312 -19.532 7.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.764 -18.484 8.407 1.00 0.00 H new ATOM 501 N ALA A 34 -7.078 -14.289 0.431 1.00 0.00 N ATOM 502 CA ALA A 34 -7.719 -14.090 -0.864 1.00 0.00 C ATOM 503 C ALA A 34 -8.136 -12.637 -1.067 1.00 0.00 C ATOM 504 O ALA A 34 -8.552 -11.961 -0.125 1.00 0.00 O ATOM 505 CB ALA A 34 -8.923 -15.008 -1.001 1.00 0.00 C ATOM 0 H ALA A 34 -7.482 -13.744 1.192 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.991 -14.337 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.393 -14.850 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.600 -16.046 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.641 -14.787 -0.211 1.00 0.00 H new ATOM 511 N ALA A 35 -8.027 -12.164 -2.305 1.00 0.00 N ATOM 512 CA ALA A 35 -8.397 -10.793 -2.639 1.00 0.00 C ATOM 513 C ALA A 35 -9.905 -10.665 -2.818 1.00 0.00 C ATOM 514 O ALA A 35 -10.636 -11.652 -2.725 1.00 0.00 O ATOM 515 CB ALA A 35 -7.672 -10.342 -3.898 1.00 0.00 C ATOM 0 H ALA A 35 -7.685 -12.711 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.098 -10.148 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.958 -9.317 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.595 -10.390 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.943 -10.995 -4.727 1.00 0.00 H new ATOM 521 N LEU A 36 -10.370 -9.445 -3.076 1.00 0.00 N ATOM 522 CA LEU A 36 -11.795 -9.200 -3.265 1.00 0.00 C ATOM 523 C LEU A 36 -12.202 -9.438 -4.715 1.00 0.00 C ATOM 524 O LEU A 36 -12.942 -10.373 -5.017 1.00 0.00 O ATOM 525 CB LEU A 36 -12.139 -7.768 -2.854 1.00 0.00 C ATOM 526 CG LEU A 36 -11.829 -7.423 -1.397 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.456 -6.780 -1.281 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.899 -6.504 -0.826 1.00 0.00 C ATOM 0 H LEU A 36 -9.783 -8.615 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.348 -9.898 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.593 -7.080 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.201 -7.599 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.826 -8.347 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.253 -6.541 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.698 -7.471 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.431 -5.865 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.661 -6.269 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.935 -5.583 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.868 -7.001 -0.873 1.00 0.00 H new ATOM 540 N THR A 37 -11.703 -8.592 -5.607 1.00 0.00 N ATOM 541 CA THR A 37 -12.002 -8.709 -7.033 1.00 0.00 C ATOM 542 C THR A 37 -11.375 -7.558 -7.812 1.00 0.00 C ATOM 543 O THR A 37 -10.948 -6.561 -7.230 1.00 0.00 O ATOM 544 CB THR A 37 -13.516 -8.735 -7.273 1.00 0.00 C ATOM 545 OG1 THR A 37 -14.213 -8.168 -6.175 1.00 0.00 O ATOM 546 CG2 THR A 37 -14.060 -10.130 -7.502 1.00 0.00 C ATOM 0 H THR A 37 -11.087 -7.814 -5.370 1.00 0.00 H new ATOM 0 HA THR A 37 -11.575 -9.648 -7.387 1.00 0.00 H new ATOM 0 HB THR A 37 -13.675 -8.149 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.177 -8.194 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.136 -10.078 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.581 -10.568 -8.377 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.855 -10.748 -6.628 1.00 0.00 H new ATOM 554 N SER A 38 -11.324 -7.702 -9.134 1.00 0.00 N ATOM 555 CA SER A 38 -10.750 -6.672 -9.993 1.00 0.00 C ATOM 556 C SER A 38 -11.433 -5.330 -9.753 1.00 0.00 C ATOM 557 O SER A 38 -10.772 -4.299 -9.623 1.00 0.00 O ATOM 558 CB SER A 38 -10.884 -7.071 -11.463 1.00 0.00 C ATOM 559 OG SER A 38 -10.239 -6.133 -12.307 1.00 0.00 O ATOM 0 H SER A 38 -11.673 -8.521 -9.632 1.00 0.00 H new ATOM 0 HA SER A 38 -9.692 -6.573 -9.748 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.451 -8.060 -11.616 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.939 -7.140 -11.730 1.00 0.00 H new ATOM 0 HG SER A 38 -10.338 -6.412 -13.241 1.00 0.00 H new ATOM 565 N PHE A 39 -12.759 -5.352 -9.691 1.00 0.00 N ATOM 566 CA PHE A 39 -13.535 -4.140 -9.461 1.00 0.00 C ATOM 567 C PHE A 39 -13.440 -3.710 -8.001 1.00 0.00 C ATOM 568 O PHE A 39 -13.434 -2.518 -7.693 1.00 0.00 O ATOM 569 CB PHE A 39 -14.998 -4.363 -9.850 1.00 0.00 C ATOM 570 CG PHE A 39 -15.516 -3.357 -10.838 1.00 0.00 C ATOM 571 CD1 PHE A 39 -15.736 -2.043 -10.458 1.00 0.00 C ATOM 572 CD2 PHE A 39 -15.783 -3.727 -12.147 1.00 0.00 C ATOM 573 CE1 PHE A 39 -16.212 -1.116 -11.366 1.00 0.00 C ATOM 574 CE2 PHE A 39 -16.261 -2.804 -13.058 1.00 0.00 C ATOM 575 CZ PHE A 39 -16.475 -1.497 -12.666 1.00 0.00 C ATOM 0 H PHE A 39 -13.320 -6.197 -9.797 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.122 -3.346 -10.084 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -15.105 -5.363 -10.271 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.614 -4.328 -8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.533 -1.740 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.616 -4.748 -12.458 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.378 -0.094 -11.058 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.467 -3.104 -14.075 1.00 0.00 H new ATOM 0 HZ PHE A 39 -16.848 -0.774 -13.376 1.00 0.00 H new ATOM 585 N GLN A 40 -13.365 -4.689 -7.104 1.00 0.00 N ATOM 586 CA GLN A 40 -13.271 -4.411 -5.676 1.00 0.00 C ATOM 587 C GLN A 40 -12.011 -3.614 -5.358 1.00 0.00 C ATOM 588 O GLN A 40 -12.056 -2.631 -4.618 1.00 0.00 O ATOM 589 CB GLN A 40 -13.283 -5.713 -4.874 1.00 0.00 C ATOM 590 CG GLN A 40 -14.672 -6.126 -4.412 1.00 0.00 C ATOM 591 CD GLN A 40 -15.091 -5.430 -3.132 1.00 0.00 C ATOM 592 OE1 GLN A 40 -15.055 -4.203 -3.040 1.00 0.00 O ATOM 593 NE2 GLN A 40 -15.493 -6.212 -2.138 1.00 0.00 N ATOM 0 H GLN A 40 -13.368 -5.681 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.138 -3.814 -5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.859 -6.511 -5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.637 -5.600 -4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.394 -5.901 -5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.694 -7.205 -4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.506 -7.225 -2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.789 -5.800 -1.253 1.00 0.00 H new ATOM 602 N VAL A 41 -10.887 -4.041 -5.924 1.00 0.00 N ATOM 603 CA VAL A 41 -9.615 -3.366 -5.702 1.00 0.00 C ATOM 604 C VAL A 41 -9.577 -2.022 -6.422 1.00 0.00 C ATOM 605 O VAL A 41 -9.040 -1.044 -5.902 1.00 0.00 O ATOM 606 CB VAL A 41 -8.430 -4.228 -6.178 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.108 -3.577 -5.798 1.00 0.00 C ATOM 608 CG2 VAL A 41 -8.525 -5.632 -5.603 1.00 0.00 C ATOM 0 H VAL A 41 -10.832 -4.852 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.524 -3.203 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.473 -4.302 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.283 -4.201 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.039 -2.594 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.054 -3.469 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.679 -6.226 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.510 -5.581 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.454 -6.098 -5.931 1.00 0.00 H new ATOM 618 N ALA A 42 -10.149 -1.981 -7.621 1.00 0.00 N ATOM 619 CA ALA A 42 -10.179 -0.757 -8.412 1.00 0.00 C ATOM 620 C ALA A 42 -10.933 0.349 -7.682 1.00 0.00 C ATOM 621 O ALA A 42 -10.517 1.507 -7.691 1.00 0.00 O ATOM 622 CB ALA A 42 -10.812 -1.024 -9.770 1.00 0.00 C ATOM 0 H ALA A 42 -10.598 -2.782 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.152 -0.423 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.829 -0.102 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.230 -1.777 -10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.831 -1.384 -9.632 1.00 0.00 H new ATOM 628 N GLN A 43 -12.042 -0.016 -7.046 1.00 0.00 N ATOM 629 CA GLN A 43 -12.851 0.945 -6.306 1.00 0.00 C ATOM 630 C GLN A 43 -12.015 1.640 -5.239 1.00 0.00 C ATOM 631 O GLN A 43 -12.149 2.844 -5.015 1.00 0.00 O ATOM 632 CB GLN A 43 -14.048 0.246 -5.657 1.00 0.00 C ATOM 633 CG GLN A 43 -15.189 -0.030 -6.623 1.00 0.00 C ATOM 634 CD GLN A 43 -16.296 1.002 -6.527 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.487 1.629 -5.485 1.00 0.00 O ATOM 636 NE2 GLN A 43 -17.032 1.182 -7.616 1.00 0.00 N ATOM 0 H GLN A 43 -12.401 -0.971 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.217 1.695 -7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.716 -0.696 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.418 0.863 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.802 -0.048 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.600 -1.019 -6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.838 0.640 -8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.792 1.862 -7.611 1.00 0.00 H new ATOM 645 N TYR A 44 -11.144 0.875 -4.590 1.00 0.00 N ATOM 646 CA TYR A 44 -10.276 1.416 -3.552 1.00 0.00 C ATOM 647 C TYR A 44 -9.149 2.234 -4.172 1.00 0.00 C ATOM 648 O TYR A 44 -8.759 3.275 -3.643 1.00 0.00 O ATOM 649 CB TYR A 44 -9.696 0.285 -2.701 1.00 0.00 C ATOM 650 CG TYR A 44 -8.788 0.767 -1.592 1.00 0.00 C ATOM 651 CD1 TYR A 44 -9.116 1.886 -0.837 1.00 0.00 C ATOM 652 CD2 TYR A 44 -7.602 0.104 -1.302 1.00 0.00 C ATOM 653 CE1 TYR A 44 -8.289 2.329 0.177 1.00 0.00 C ATOM 654 CE2 TYR A 44 -6.770 0.542 -0.290 1.00 0.00 C ATOM 655 CZ TYR A 44 -7.118 1.654 0.447 1.00 0.00 C ATOM 656 OH TYR A 44 -6.292 2.094 1.456 1.00 0.00 O ATOM 0 H TYR A 44 -11.021 -0.122 -4.765 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.870 2.068 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.515 -0.288 -2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.139 -0.395 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.032 2.418 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.326 -0.768 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.559 3.200 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.851 0.016 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.371 1.814 1.270 1.00 0.00 H new ATOM 666 N ARG A 45 -8.635 1.757 -5.300 1.00 0.00 N ATOM 667 CA ARG A 45 -7.555 2.442 -6.000 1.00 0.00 C ATOM 668 C ARG A 45 -7.977 3.851 -6.399 1.00 0.00 C ATOM 669 O ARG A 45 -7.238 4.813 -6.197 1.00 0.00 O ATOM 670 CB ARG A 45 -7.147 1.651 -7.246 1.00 0.00 C ATOM 671 CG ARG A 45 -6.348 0.395 -6.939 1.00 0.00 C ATOM 672 CD ARG A 45 -5.664 -0.149 -8.182 1.00 0.00 C ATOM 673 NE ARG A 45 -6.592 -0.293 -9.302 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.374 -1.087 -10.349 1.00 0.00 C ATOM 675 NH1 ARG A 45 -5.264 -1.809 -10.425 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.271 -1.158 -11.323 1.00 0.00 N ATOM 0 H ARG A 45 -8.949 0.897 -5.750 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.703 2.512 -5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.044 1.374 -7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.557 2.296 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.600 0.616 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.009 -0.366 -6.524 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.851 0.518 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.217 -1.117 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.458 0.246 -9.281 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.571 -1.758 -9.679 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.104 -2.415 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.126 -0.605 -11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.106 -1.766 -12.125 1.00 0.00 H new ATOM 690 N ASN A 46 -9.172 3.960 -6.972 1.00 0.00 N ATOM 691 CA ASN A 46 -9.700 5.246 -7.408 1.00 0.00 C ATOM 692 C ASN A 46 -9.875 6.204 -6.232 1.00 0.00 C ATOM 693 O ASN A 46 -9.724 7.417 -6.382 1.00 0.00 O ATOM 694 CB ASN A 46 -11.040 5.047 -8.122 1.00 0.00 C ATOM 695 CG ASN A 46 -11.158 5.889 -9.377 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.158 6.212 -10.018 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.385 6.250 -9.734 1.00 0.00 N ATOM 0 H ASN A 46 -9.794 3.170 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.982 5.687 -8.099 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.157 3.995 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.852 5.300 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.527 6.818 -10.569 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.186 5.960 -9.173 1.00 0.00 H new ATOM 704 N ILE A 47 -10.200 5.658 -5.062 1.00 0.00 N ATOM 705 CA ILE A 47 -10.400 6.477 -3.872 1.00 0.00 C ATOM 706 C ILE A 47 -9.149 7.293 -3.546 1.00 0.00 C ATOM 707 O ILE A 47 -9.184 8.523 -3.554 1.00 0.00 O ATOM 708 CB ILE A 47 -10.787 5.607 -2.653 1.00 0.00 C ATOM 709 CG1 ILE A 47 -12.186 5.022 -2.849 1.00 0.00 C ATOM 710 CG2 ILE A 47 -10.726 6.419 -1.364 1.00 0.00 C ATOM 711 CD1 ILE A 47 -12.451 3.789 -2.013 1.00 0.00 C ATOM 0 H ILE A 47 -10.330 4.657 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.219 7.163 -4.087 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.070 4.790 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.926 5.783 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.322 4.773 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.002 5.785 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.713 6.795 -1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.419 7.258 -1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.462 3.430 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.734 3.011 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.348 4.037 -0.957 1.00 0.00 H new ATOM 723 N LEU A 48 -8.045 6.606 -3.270 1.00 0.00 N ATOM 724 CA LEU A 48 -6.796 7.291 -2.955 1.00 0.00 C ATOM 725 C LEU A 48 -6.252 7.998 -4.190 1.00 0.00 C ATOM 726 O LEU A 48 -5.730 9.110 -4.100 1.00 0.00 O ATOM 727 CB LEU A 48 -5.749 6.321 -2.399 1.00 0.00 C ATOM 728 CG LEU A 48 -5.809 4.896 -2.952 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.408 4.349 -3.157 1.00 0.00 C ATOM 730 CD2 LEU A 48 -6.605 4.001 -2.016 1.00 0.00 C ATOM 0 H LEU A 48 -7.989 5.588 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.010 8.032 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.759 6.729 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.860 6.276 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.312 4.916 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.468 3.334 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.870 4.981 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.879 4.338 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.640 2.990 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.127 3.983 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.619 4.388 -1.918 1.00 0.00 H new ATOM 742 N ASN A 49 -6.393 7.355 -5.347 1.00 0.00 N ATOM 743 CA ASN A 49 -5.928 7.941 -6.599 1.00 0.00 C ATOM 744 C ASN A 49 -6.596 9.295 -6.817 1.00 0.00 C ATOM 745 O ASN A 49 -5.997 10.219 -7.364 1.00 0.00 O ATOM 746 CB ASN A 49 -6.226 7.008 -7.773 1.00 0.00 C ATOM 747 CG ASN A 49 -5.485 7.419 -9.028 1.00 0.00 C ATOM 748 OD1 ASN A 49 -4.311 7.093 -9.206 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.169 8.140 -9.905 1.00 0.00 N ATOM 0 H ASN A 49 -6.822 6.435 -5.442 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.849 8.082 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.948 5.989 -7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.298 7.004 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.724 8.448 -10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.140 8.387 -9.715 1.00 0.00 H new ATOM 756 N ALA A 50 -7.835 9.402 -6.356 1.00 0.00 N ATOM 757 CA ALA A 50 -8.594 10.640 -6.460 1.00 0.00 C ATOM 758 C ALA A 50 -8.027 11.683 -5.507 1.00 0.00 C ATOM 759 O ALA A 50 -8.147 12.887 -5.735 1.00 0.00 O ATOM 760 CB ALA A 50 -10.064 10.386 -6.157 1.00 0.00 C ATOM 0 H ALA A 50 -8.339 8.639 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.512 11.018 -7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.619 11.321 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.463 9.664 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.164 9.992 -5.146 1.00 0.00 H new ATOM 766 N SER A 51 -7.417 11.201 -4.430 1.00 0.00 N ATOM 767 CA SER A 51 -6.832 12.066 -3.418 1.00 0.00 C ATOM 768 C SER A 51 -5.569 12.753 -3.928 1.00 0.00 C ATOM 769 O SER A 51 -5.347 13.936 -3.668 1.00 0.00 O ATOM 770 CB SER A 51 -6.508 11.246 -2.163 1.00 0.00 C ATOM 771 OG SER A 51 -7.332 11.631 -1.076 1.00 0.00 O ATOM 0 H SER A 51 -7.315 10.205 -4.236 1.00 0.00 H new ATOM 0 HA SER A 51 -7.559 12.841 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.648 10.185 -2.372 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.460 11.383 -1.896 1.00 0.00 H new ATOM 0 HG SER A 51 -7.107 11.093 -0.288 1.00 0.00 H new ATOM 777 N LEU A 52 -4.743 12.008 -4.656 1.00 0.00 N ATOM 778 CA LEU A 52 -3.506 12.555 -5.197 1.00 0.00 C ATOM 779 C LEU A 52 -3.783 13.437 -6.405 1.00 0.00 C ATOM 780 O LEU A 52 -2.992 14.314 -6.749 1.00 0.00 O ATOM 781 CB LEU A 52 -2.532 11.435 -5.556 1.00 0.00 C ATOM 782 CG LEU A 52 -3.134 10.257 -6.323 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.699 10.303 -7.772 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.722 8.941 -5.681 1.00 0.00 C ATOM 0 H LEU A 52 -4.908 11.028 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.046 13.174 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.723 11.858 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.086 11.057 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.221 10.331 -6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.133 9.460 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.038 11.235 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.612 10.247 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.158 8.112 -6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.636 8.855 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.077 8.912 -4.651 1.00 0.00 H new ATOM 796 N GLN A 53 -4.915 13.185 -7.046 1.00 0.00 N ATOM 797 CA GLN A 53 -5.325 13.933 -8.222 1.00 0.00 C ATOM 798 C GLN A 53 -5.240 15.429 -8.001 1.00 0.00 C ATOM 799 O GLN A 53 -4.771 16.177 -8.858 1.00 0.00 O ATOM 800 CB GLN A 53 -6.758 13.566 -8.582 1.00 0.00 C ATOM 801 CG GLN A 53 -6.844 12.814 -9.876 1.00 0.00 C ATOM 802 CD GLN A 53 -7.918 11.752 -9.870 1.00 0.00 C ATOM 803 OE1 GLN A 53 -7.582 10.595 -9.320 1.00 0.00 O flip ATOM 804 NE2 GLN A 53 -9.032 11.967 -10.350 1.00 0.00 N flip ATOM 0 H GLN A 53 -5.573 12.458 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.645 13.672 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.187 12.961 -7.783 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.357 14.474 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.040 13.517 -10.686 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.881 12.348 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.243 12.876 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.744 11.236 -10.335 1.00 0.00 H new ATOM 813 N VAL A 54 -5.728 15.854 -6.855 1.00 0.00 N ATOM 814 CA VAL A 54 -5.746 17.264 -6.515 1.00 0.00 C ATOM 815 C VAL A 54 -4.455 17.707 -5.826 1.00 0.00 C ATOM 816 O VAL A 54 -4.437 18.719 -5.124 1.00 0.00 O ATOM 817 CB VAL A 54 -6.950 17.602 -5.615 1.00 0.00 C ATOM 818 CG1 VAL A 54 -8.208 17.767 -6.454 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.149 16.523 -4.559 1.00 0.00 C ATOM 0 H VAL A 54 -6.119 15.242 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.835 17.808 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.747 18.544 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.050 18.006 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.063 18.575 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.413 16.839 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.004 16.780 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.331 15.565 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.255 16.451 -3.940 1.00 0.00 H new ATOM 829 N ASP A 55 -3.377 16.954 -6.032 1.00 0.00 N ATOM 830 CA ASP A 55 -2.090 17.286 -5.430 1.00 0.00 C ATOM 831 C ASP A 55 -1.457 18.484 -6.131 1.00 0.00 C ATOM 832 O ASP A 55 -1.518 18.602 -7.355 1.00 0.00 O ATOM 833 CB ASP A 55 -1.143 16.086 -5.500 1.00 0.00 C ATOM 834 CG ASP A 55 0.055 16.240 -4.583 1.00 0.00 C ATOM 835 OD1 ASP A 55 0.346 17.383 -4.173 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.702 15.217 -4.276 1.00 0.00 O ATOM 0 H ASP A 55 -3.370 16.113 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.263 17.544 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.688 15.181 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.798 15.959 -6.526 1.00 0.00 H new ATOM 841 N ARG A 56 -0.850 19.369 -5.349 1.00 0.00 N ATOM 842 CA ARG A 56 -0.207 20.557 -5.899 1.00 0.00 C ATOM 843 C ARG A 56 0.959 20.175 -6.805 1.00 0.00 C ATOM 844 O ARG A 56 1.265 20.878 -7.769 1.00 0.00 O ATOM 845 CB ARG A 56 0.284 21.466 -4.768 1.00 0.00 C ATOM 846 CG ARG A 56 -0.643 22.635 -4.483 1.00 0.00 C ATOM 847 CD ARG A 56 -0.617 23.653 -5.612 1.00 0.00 C ATOM 848 NE ARG A 56 -1.585 24.728 -5.404 1.00 0.00 N ATOM 849 CZ ARG A 56 -1.982 25.563 -6.361 1.00 0.00 C ATOM 850 NH1 ARG A 56 -1.498 25.451 -7.591 1.00 0.00 N ATOM 851 NH2 ARG A 56 -2.866 26.512 -6.087 1.00 0.00 N ATOM 0 H ARG A 56 -0.789 19.287 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.943 21.096 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.398 20.874 -3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.271 21.850 -5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.660 22.269 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.348 23.116 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.384 24.077 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.829 23.152 -6.556 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.979 24.845 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.818 24.722 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.806 26.094 -8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.242 26.602 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.171 27.152 -6.820 1.00 0.00 H new ATOM 865 N ASP A 57 1.606 19.057 -6.491 1.00 0.00 N ATOM 866 CA ASP A 57 2.738 18.582 -7.278 1.00 0.00 C ATOM 867 C ASP A 57 2.276 17.639 -8.385 1.00 0.00 C ATOM 868 O ASP A 57 1.999 16.465 -8.138 1.00 0.00 O ATOM 869 CB ASP A 57 3.751 17.872 -6.378 1.00 0.00 C ATOM 870 CG ASP A 57 4.744 18.832 -5.754 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.348 19.976 -5.443 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.917 18.442 -5.578 1.00 0.00 O ATOM 0 H ASP A 57 1.366 18.463 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 57 3.215 19.447 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.221 17.339 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.290 17.125 -6.961 1.00 0.00 H new ATOM 877 N ALA A 58 2.194 18.161 -9.604 1.00 0.00 N ATOM 878 CA ALA A 58 1.767 17.366 -10.749 1.00 0.00 C ATOM 879 C ALA A 58 2.786 16.279 -11.075 1.00 0.00 C ATOM 880 O ALA A 58 2.420 15.156 -11.421 1.00 0.00 O ATOM 881 CB ALA A 58 1.541 18.261 -11.958 1.00 0.00 C ATOM 0 H ALA A 58 2.418 19.131 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 58 0.827 16.879 -10.491 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.223 17.654 -12.806 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.770 18.996 -11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.469 18.775 -12.208 1.00 0.00 H new ATOM 887 N ALA A 59 4.065 16.622 -10.964 1.00 0.00 N ATOM 888 CA ALA A 59 5.137 15.675 -11.249 1.00 0.00 C ATOM 889 C ALA A 59 5.047 14.455 -10.340 1.00 0.00 C ATOM 890 O ALA A 59 5.083 13.316 -10.807 1.00 0.00 O ATOM 891 CB ALA A 59 6.491 16.350 -11.097 1.00 0.00 C ATOM 0 H ALA A 59 4.384 17.548 -10.679 1.00 0.00 H new ATOM 0 HA ALA A 59 5.026 15.337 -12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.282 15.632 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.561 17.186 -11.793 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.602 16.717 -10.077 1.00 0.00 H new ATOM 897 N ARG A 60 4.932 14.699 -9.039 1.00 0.00 N ATOM 898 CA ARG A 60 4.838 13.618 -8.064 1.00 0.00 C ATOM 899 C ARG A 60 3.506 12.888 -8.192 1.00 0.00 C ATOM 900 O ARG A 60 3.427 11.678 -7.980 1.00 0.00 O ATOM 901 CB ARG A 60 4.999 14.168 -6.645 1.00 0.00 C ATOM 902 CG ARG A 60 6.428 14.109 -6.129 1.00 0.00 C ATOM 903 CD ARG A 60 7.195 15.378 -6.465 1.00 0.00 C ATOM 904 NE ARG A 60 8.245 15.658 -5.490 1.00 0.00 N ATOM 905 CZ ARG A 60 9.375 14.962 -5.397 1.00 0.00 C ATOM 906 NH1 ARG A 60 9.606 13.944 -6.219 1.00 0.00 N ATOM 907 NH2 ARG A 60 10.279 15.283 -4.482 1.00 0.00 N ATOM 0 H ARG A 60 4.902 15.635 -8.635 1.00 0.00 H new ATOM 0 HA ARG A 60 5.641 12.909 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.656 15.202 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.354 13.605 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.420 13.963 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.938 13.249 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.637 15.282 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.503 16.220 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 60 8.104 16.433 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.915 13.693 -6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.474 13.414 -6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.108 16.064 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.145 14.749 -4.411 1.00 0.00 H new ATOM 921 N SER A 61 2.460 13.631 -8.540 1.00 0.00 N ATOM 922 CA SER A 61 1.129 13.054 -8.698 1.00 0.00 C ATOM 923 C SER A 61 1.134 11.955 -9.756 1.00 0.00 C ATOM 924 O SER A 61 0.635 10.854 -9.523 1.00 0.00 O ATOM 925 CB SER A 61 0.122 14.141 -9.078 1.00 0.00 C ATOM 926 OG SER A 61 -1.114 13.574 -9.477 1.00 0.00 O ATOM 0 H SER A 61 2.508 14.634 -8.718 1.00 0.00 H new ATOM 0 HA SER A 61 0.835 12.613 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.037 14.807 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.526 14.748 -9.888 1.00 0.00 H new ATOM 0 HG SER A 61 -1.741 14.289 -9.713 1.00 0.00 H new ATOM 932 N ARG A 62 1.702 12.261 -10.918 1.00 0.00 N ATOM 933 CA ARG A 62 1.773 11.300 -12.014 1.00 0.00 C ATOM 934 C ARG A 62 2.478 10.022 -11.572 1.00 0.00 C ATOM 935 O ARG A 62 2.118 8.923 -11.995 1.00 0.00 O ATOM 936 CB ARG A 62 2.501 11.914 -13.212 1.00 0.00 C ATOM 937 CG ARG A 62 1.608 12.119 -14.426 1.00 0.00 C ATOM 938 CD ARG A 62 1.189 10.792 -15.041 1.00 0.00 C ATOM 939 NE ARG A 62 1.258 10.820 -16.499 1.00 0.00 N ATOM 940 CZ ARG A 62 1.053 9.755 -17.272 1.00 0.00 C ATOM 941 NH1 ARG A 62 0.765 8.579 -16.729 1.00 0.00 N ATOM 942 NH2 ARG A 62 1.136 9.868 -18.590 1.00 0.00 N ATOM 0 H ARG A 62 2.120 13.168 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 62 0.755 11.046 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.925 12.874 -12.916 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.335 11.269 -13.489 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.721 12.683 -14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.135 12.716 -15.170 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.832 9.998 -14.663 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.172 10.553 -14.731 1.00 0.00 H new ATOM 0 HE ARG A 62 1.476 11.707 -16.952 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.700 8.488 -15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.609 7.766 -17.325 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.357 10.770 -19.012 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.979 9.053 -19.183 1.00 0.00 H new ATOM 956 N ARG A 63 3.484 10.172 -10.716 1.00 0.00 N ATOM 957 CA ARG A 63 4.239 9.029 -10.214 1.00 0.00 C ATOM 958 C ARG A 63 3.321 8.059 -9.475 1.00 0.00 C ATOM 959 O ARG A 63 3.411 6.844 -9.657 1.00 0.00 O ATOM 960 CB ARG A 63 5.362 9.502 -9.286 1.00 0.00 C ATOM 961 CG ARG A 63 6.754 9.254 -9.842 1.00 0.00 C ATOM 962 CD ARG A 63 7.729 10.339 -9.409 1.00 0.00 C ATOM 963 NE ARG A 63 9.004 9.781 -8.963 1.00 0.00 N ATOM 964 CZ ARG A 63 9.198 9.240 -7.763 1.00 0.00 C ATOM 965 NH1 ARG A 63 8.203 9.179 -6.887 1.00 0.00 N ATOM 966 NH2 ARG A 63 10.390 8.757 -7.438 1.00 0.00 N ATOM 0 H ARG A 63 3.795 11.074 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 63 4.679 8.508 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.240 10.568 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.267 8.994 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.115 8.283 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.711 9.216 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.903 11.023 -10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.287 10.923 -8.602 1.00 0.00 H new ATOM 0 HE ARG A 63 9.792 9.808 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.284 9.548 -7.132 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.357 8.763 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.158 8.800 -8.108 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.539 8.342 -6.518 1.00 0.00 H new ATOM 980 N LEU A 64 2.441 8.605 -8.643 1.00 0.00 N ATOM 981 CA LEU A 64 1.506 7.790 -7.875 1.00 0.00 C ATOM 982 C LEU A 64 0.453 7.170 -8.788 1.00 0.00 C ATOM 983 O LEU A 64 -0.007 6.052 -8.554 1.00 0.00 O ATOM 984 CB LEU A 64 0.822 8.629 -6.791 1.00 0.00 C ATOM 985 CG LEU A 64 1.683 9.737 -6.178 1.00 0.00 C ATOM 986 CD1 LEU A 64 0.973 10.368 -4.991 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.041 9.192 -5.760 1.00 0.00 C ATOM 0 H LEU A 64 2.355 9.609 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 64 2.073 6.990 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.074 9.082 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.494 7.963 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 64 1.841 10.506 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.599 11.153 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.026 10.797 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.784 9.607 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.638 9.995 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.904 8.402 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.555 8.788 -6.632 1.00 0.00 H new ATOM 999 N MET A 65 0.073 7.905 -9.827 1.00 0.00 N ATOM 1000 CA MET A 65 -0.927 7.432 -10.775 1.00 0.00 C ATOM 1001 C MET A 65 -0.421 6.217 -11.545 1.00 0.00 C ATOM 1002 O MET A 65 -1.199 5.339 -11.920 1.00 0.00 O ATOM 1003 CB MET A 65 -1.305 8.550 -11.748 1.00 0.00 C ATOM 1004 CG MET A 65 -1.726 9.836 -11.054 1.00 0.00 C ATOM 1005 SD MET A 65 -3.178 10.592 -11.809 1.00 0.00 S ATOM 1006 CE MET A 65 -4.297 10.640 -10.412 1.00 0.00 C ATOM 0 H MET A 65 0.444 8.833 -10.034 1.00 0.00 H new ATOM 0 HA MET A 65 -1.812 7.135 -10.212 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.456 8.758 -12.399 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.119 8.207 -12.386 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.935 9.626 -10.005 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.898 10.545 -11.079 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.326 10.631 -10.770 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.126 9.770 -9.778 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.121 11.548 -9.836 1.00 0.00 H new ATOM 1016 N ALA A 66 0.888 6.167 -11.772 1.00 0.00 N ATOM 1017 CA ALA A 66 1.493 5.054 -12.489 1.00 0.00 C ATOM 1018 C ALA A 66 1.692 3.867 -11.559 1.00 0.00 C ATOM 1019 O ALA A 66 1.481 2.718 -11.946 1.00 0.00 O ATOM 1020 CB ALA A 66 2.818 5.478 -13.105 1.00 0.00 C ATOM 0 H ALA A 66 1.548 6.884 -11.470 1.00 0.00 H new ATOM 0 HA ALA A 66 0.820 4.752 -13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.258 4.635 -13.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.649 6.299 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.497 5.804 -12.318 1.00 0.00 H new ATOM 1026 N LYS A 67 2.094 4.158 -10.328 1.00 0.00 N ATOM 1027 CA LYS A 67 2.315 3.117 -9.335 1.00 0.00 C ATOM 1028 C LYS A 67 0.983 2.579 -8.827 1.00 0.00 C ATOM 1029 O LYS A 67 0.833 1.380 -8.591 1.00 0.00 O ATOM 1030 CB LYS A 67 3.143 3.657 -8.169 1.00 0.00 C ATOM 1031 CG LYS A 67 4.483 4.239 -8.592 1.00 0.00 C ATOM 1032 CD LYS A 67 5.060 5.146 -7.518 1.00 0.00 C ATOM 1033 CE LYS A 67 5.931 4.370 -6.542 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.171 5.115 -6.192 1.00 0.00 N ATOM 0 H LYS A 67 2.273 5.105 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 67 2.866 2.303 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.569 4.426 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.315 2.853 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.183 3.430 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.361 4.801 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.649 5.935 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.249 5.632 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.364 4.163 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.197 3.407 -6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.729 4.560 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.734 5.276 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.918 6.030 -5.767 1.00 0.00 H new ATOM 1048 N LEU A 68 0.016 3.477 -8.671 1.00 0.00 N ATOM 1049 CA LEU A 68 -1.312 3.102 -8.202 1.00 0.00 C ATOM 1050 C LEU A 68 -2.117 2.445 -9.322 1.00 0.00 C ATOM 1051 O LEU A 68 -3.086 1.732 -9.064 1.00 0.00 O ATOM 1052 CB LEU A 68 -2.053 4.332 -7.677 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.261 4.031 -6.788 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.591 5.231 -5.913 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.463 3.638 -7.636 1.00 0.00 C ATOM 0 H LEU A 68 0.128 4.472 -8.863 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.198 2.382 -7.391 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.351 4.947 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.386 4.927 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.011 3.192 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.453 4.999 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.735 5.466 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.821 6.089 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.313 3.427 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.715 4.456 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.222 2.749 -8.218 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.707 2.689 -10.566 1.00 0.00 N ATOM 1068 CA ALA A 69 -2.389 2.120 -11.722 1.00 0.00 C ATOM 1069 C ALA A 69 -2.473 0.600 -11.618 1.00 0.00 C ATOM 1070 O ALA A 69 -3.385 -0.021 -12.163 1.00 0.00 O ATOM 1071 CB ALA A 69 -1.677 2.524 -13.005 1.00 0.00 C ATOM 0 H ALA A 69 -0.906 3.277 -10.797 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.406 2.513 -11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.196 2.093 -13.861 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.674 3.610 -13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.650 2.159 -12.982 1.00 0.00 H new ATOM 1077 N ASP A 70 -1.515 0.008 -10.914 1.00 0.00 N ATOM 1078 CA ASP A 70 -1.478 -1.437 -10.733 1.00 0.00 C ATOM 1079 C ASP A 70 -1.807 -1.811 -9.291 1.00 0.00 C ATOM 1080 O ASP A 70 -2.437 -2.836 -9.035 1.00 0.00 O ATOM 1081 CB ASP A 70 -0.102 -1.980 -11.119 1.00 0.00 C ATOM 1082 CG ASP A 70 -0.178 -3.360 -11.742 1.00 0.00 C ATOM 1083 OD1 ASP A 70 -1.135 -4.100 -11.432 1.00 0.00 O ATOM 1084 OD2 ASP A 70 0.721 -3.701 -12.541 1.00 0.00 O ATOM 0 H ASP A 70 -0.752 0.509 -10.458 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.231 -1.884 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.373 -1.294 -11.820 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.532 -2.019 -10.233 1.00 0.00 H new ATOM 1089 N PHE A 71 -1.380 -0.963 -8.357 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.624 -1.181 -6.930 1.00 0.00 C ATOM 1091 C PHE A 71 -1.272 -2.609 -6.506 1.00 0.00 C ATOM 1092 O PHE A 71 -0.162 -2.867 -6.041 1.00 0.00 O ATOM 1093 CB PHE A 71 -3.081 -0.855 -6.584 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.298 -0.559 -5.127 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -2.484 0.343 -4.462 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -4.316 -1.183 -4.423 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -2.681 0.616 -3.121 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.518 -0.914 -3.083 1.00 0.00 C ATOM 1099 CZ PHE A 71 -3.699 -0.013 -2.431 1.00 0.00 C ATOM 0 H PHE A 71 -0.859 -0.111 -8.564 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.971 -0.508 -6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.403 0.004 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.712 -1.695 -6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.687 0.838 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.959 -1.888 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.039 1.321 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.315 -1.407 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.854 0.199 -1.384 1.00 0.00 H new ATOM 1109 N ALA A 72 -2.215 -3.532 -6.668 1.00 0.00 N ATOM 1110 CA ALA A 72 -1.992 -4.925 -6.301 1.00 0.00 C ATOM 1111 C ALA A 72 -1.384 -5.705 -7.460 1.00 0.00 C ATOM 1112 O ALA A 72 -2.102 -6.280 -8.278 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.297 -5.568 -5.856 1.00 0.00 C ATOM 0 H ALA A 72 -3.141 -3.340 -7.051 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.286 -4.949 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.116 -6.608 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.691 -5.031 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.020 -5.526 -6.671 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.058 -5.714 -7.528 1.00 0.00 N ATOM 1120 CA VAL A 73 0.648 -6.419 -8.591 1.00 0.00 C ATOM 1121 C VAL A 73 1.230 -7.734 -8.086 1.00 0.00 C ATOM 1122 O VAL A 73 1.743 -7.810 -6.970 1.00 0.00 O ATOM 1123 CB VAL A 73 1.786 -5.562 -9.179 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.221 -6.107 -10.531 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.358 -4.107 -9.297 1.00 0.00 C ATOM 0 H VAL A 73 0.550 -5.241 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.084 -6.623 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 73 2.638 -5.611 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.025 -5.489 -10.931 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.574 -7.131 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.375 -6.091 -11.219 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.176 -3.520 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.489 -4.035 -9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.102 -3.722 -8.310 1.00 0.00 H new ATOM 1135 N GLU A 74 1.149 -8.768 -8.916 1.00 0.00 N ATOM 1136 CA GLU A 74 1.669 -10.081 -8.553 1.00 0.00 C ATOM 1137 C GLU A 74 3.194 -10.076 -8.550 1.00 0.00 C ATOM 1138 O GLU A 74 3.829 -10.356 -9.566 1.00 0.00 O ATOM 1139 CB GLU A 74 1.152 -11.145 -9.524 1.00 0.00 C ATOM 1140 CG GLU A 74 1.352 -10.782 -10.987 1.00 0.00 C ATOM 1141 CD GLU A 74 0.095 -10.223 -11.626 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -0.923 -10.944 -11.663 1.00 0.00 O ATOM 1143 OE2 GLU A 74 0.131 -9.065 -12.092 1.00 0.00 O ATOM 0 H GLU A 74 0.728 -8.722 -9.844 1.00 0.00 H new ATOM 0 HA GLU A 74 1.321 -10.319 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.659 -12.088 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.090 -11.307 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.154 -10.048 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.672 -11.667 -11.537 1.00 0.00 H new ATOM 1150 N GLN A 75 3.776 -9.755 -7.399 1.00 0.00 N ATOM 1151 CA GLN A 75 5.226 -9.713 -7.262 1.00 0.00 C ATOM 1152 C GLN A 75 5.672 -10.417 -5.985 1.00 0.00 C ATOM 1153 O GLN A 75 5.037 -10.286 -4.938 1.00 0.00 O ATOM 1154 CB GLN A 75 5.717 -8.263 -7.254 1.00 0.00 C ATOM 1155 CG GLN A 75 6.015 -7.714 -8.640 1.00 0.00 C ATOM 1156 CD GLN A 75 6.279 -6.221 -8.632 1.00 0.00 C ATOM 1157 OE1 GLN A 75 5.499 -5.437 -9.173 1.00 0.00 O ATOM 1158 NE2 GLN A 75 7.384 -5.819 -8.014 1.00 0.00 N ATOM 0 H GLN A 75 3.265 -9.520 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 75 5.661 -10.233 -8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.963 -7.636 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.618 -8.197 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.882 -8.230 -9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.174 -7.927 -9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.003 -6.503 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.614 -4.826 -7.975 1.00 0.00 H new ATOM 1167 N GLU A 76 6.768 -11.163 -6.078 1.00 0.00 N ATOM 1168 CA GLU A 76 7.297 -11.886 -4.927 1.00 0.00 C ATOM 1169 C GLU A 76 7.761 -10.917 -3.847 1.00 0.00 C ATOM 1170 O GLU A 76 8.613 -10.063 -4.090 1.00 0.00 O ATOM 1171 CB GLU A 76 8.461 -12.784 -5.350 1.00 0.00 C ATOM 1172 CG GLU A 76 8.682 -13.970 -4.425 1.00 0.00 C ATOM 1173 CD GLU A 76 7.828 -15.166 -4.796 1.00 0.00 C ATOM 1174 OE1 GLU A 76 7.940 -15.640 -5.947 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.046 -15.628 -3.938 1.00 0.00 O ATOM 0 H GLU A 76 7.306 -11.283 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 76 6.497 -12.506 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.278 -13.151 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.373 -12.189 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.733 -14.256 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.459 -13.673 -3.400 1.00 0.00 H new ATOM 1182 N VAL A 77 7.200 -11.058 -2.650 1.00 0.00 N ATOM 1183 CA VAL A 77 7.566 -10.195 -1.536 1.00 0.00 C ATOM 1184 C VAL A 77 8.849 -10.681 -0.883 1.00 0.00 C ATOM 1185 O VAL A 77 9.205 -11.855 -0.988 1.00 0.00 O ATOM 1186 CB VAL A 77 6.449 -10.121 -0.476 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.699 -8.968 0.483 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.087 -9.983 -1.141 1.00 0.00 C ATOM 0 H VAL A 77 6.493 -11.759 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 77 7.718 -9.195 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 77 6.456 -11.049 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.900 -8.931 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.655 -9.114 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.721 -8.031 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.312 -9.932 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.065 -9.073 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.907 -10.845 -1.784 1.00 0.00 H new ATOM 1198 N THR A 78 9.553 -9.769 -0.229 1.00 0.00 N ATOM 1199 CA THR A 78 10.810 -10.109 0.417 1.00 0.00 C ATOM 1200 C THR A 78 11.008 -9.320 1.704 1.00 0.00 C ATOM 1201 O THR A 78 10.355 -8.302 1.928 1.00 0.00 O ATOM 1202 CB THR A 78 11.966 -9.831 -0.539 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.514 -9.793 -1.881 1.00 0.00 O ATOM 1204 CG2 THR A 78 13.057 -10.865 -0.455 1.00 0.00 C ATOM 0 H THR A 78 9.276 -8.792 -0.132 1.00 0.00 H new ATOM 0 HA THR A 78 10.784 -11.168 0.673 1.00 0.00 H new ATOM 0 HB THR A 78 12.370 -8.865 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.271 -9.612 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 78 13.851 -10.614 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.461 -10.886 0.557 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.649 -11.845 -0.703 1.00 0.00 H new ATOM 1212 N ALA A 79 11.928 -9.791 2.543 1.00 0.00 N ATOM 1213 CA ALA A 79 12.220 -9.117 3.797 1.00 0.00 C ATOM 1214 C ALA A 79 12.809 -7.740 3.527 1.00 0.00 C ATOM 1215 O ALA A 79 13.457 -7.523 2.502 1.00 0.00 O ATOM 1216 CB ALA A 79 13.161 -9.946 4.653 1.00 0.00 C ATOM 0 H ALA A 79 12.479 -10.633 2.375 1.00 0.00 H new ATOM 0 HA ALA A 79 11.288 -8.996 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.364 -9.419 5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.700 -10.909 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.096 -10.106 4.116 1.00 0.00 H new ATOM 1222 N GLY A 80 12.560 -6.810 4.434 1.00 0.00 N ATOM 1223 CA GLY A 80 13.052 -5.460 4.258 1.00 0.00 C ATOM 1224 C GLY A 80 12.008 -4.580 3.604 1.00 0.00 C ATOM 1225 O GLY A 80 11.935 -3.382 3.874 1.00 0.00 O ATOM 0 H GLY A 80 12.026 -6.965 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.330 -5.042 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.954 -5.475 3.646 1.00 0.00 H new ATOM 1229 N ASP A 81 11.181 -5.189 2.757 1.00 0.00 N ATOM 1230 CA ASP A 81 10.114 -4.465 2.079 1.00 0.00 C ATOM 1231 C ASP A 81 8.914 -4.331 3.010 1.00 0.00 C ATOM 1232 O ASP A 81 9.052 -4.460 4.225 1.00 0.00 O ATOM 1233 CB ASP A 81 9.714 -5.190 0.791 1.00 0.00 C ATOM 1234 CG ASP A 81 9.431 -4.229 -0.347 1.00 0.00 C ATOM 1235 OD1 ASP A 81 10.396 -3.787 -1.005 1.00 0.00 O ATOM 1236 OD2 ASP A 81 8.243 -3.919 -0.581 1.00 0.00 O ATOM 0 H ASP A 81 11.231 -6.181 2.526 1.00 0.00 H new ATOM 0 HA ASP A 81 10.470 -3.470 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.512 -5.872 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.829 -5.798 0.979 1.00 0.00 H new ATOM 1241 N ARG A 82 7.737 -4.076 2.446 1.00 0.00 N ATOM 1242 CA ARG A 82 6.534 -3.932 3.256 1.00 0.00 C ATOM 1243 C ARG A 82 5.294 -4.401 2.506 1.00 0.00 C ATOM 1244 O ARG A 82 5.263 -4.417 1.275 1.00 0.00 O ATOM 1245 CB ARG A 82 6.353 -2.474 3.683 1.00 0.00 C ATOM 1246 CG ARG A 82 7.124 -2.102 4.939 1.00 0.00 C ATOM 1247 CD ARG A 82 7.857 -0.779 4.774 1.00 0.00 C ATOM 1248 NE ARG A 82 9.086 -0.927 3.999 1.00 0.00 N ATOM 1249 CZ ARG A 82 10.083 -0.045 4.012 1.00 0.00 C ATOM 1250 NH1 ARG A 82 9.999 1.051 4.757 1.00 0.00 N ATOM 1251 NH2 ARG A 82 11.166 -0.258 3.279 1.00 0.00 N ATOM 0 H ARG A 82 7.592 -3.966 1.442 1.00 0.00 H new ATOM 0 HA ARG A 82 6.657 -4.559 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.670 -1.824 2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.293 -2.283 3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.437 -2.035 5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.841 -2.889 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.202 -0.061 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.095 -0.371 5.757 1.00 0.00 H new ATOM 0 HE ARG A 82 9.186 -1.756 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.168 1.220 5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.766 1.723 4.763 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.236 -1.098 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.930 0.418 3.289 1.00 0.00 H new ATOM 1265 N VAL A 83 4.268 -4.770 3.266 1.00 0.00 N ATOM 1266 CA VAL A 83 3.009 -5.228 2.695 1.00 0.00 C ATOM 1267 C VAL A 83 1.864 -4.342 3.169 1.00 0.00 C ATOM 1268 O VAL A 83 1.696 -4.119 4.368 1.00 0.00 O ATOM 1269 CB VAL A 83 2.713 -6.690 3.080 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.410 -7.164 2.448 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.868 -7.593 2.674 1.00 0.00 C ATOM 0 H VAL A 83 4.286 -4.760 4.286 1.00 0.00 H new ATOM 0 HA VAL A 83 3.099 -5.168 1.610 1.00 0.00 H new ATOM 0 HB VAL A 83 2.601 -6.742 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.222 -8.199 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.588 -6.537 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.486 -7.096 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.641 -8.622 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.014 -7.534 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.777 -7.271 3.181 1.00 0.00 H new ATOM 1281 N VAL A 84 1.085 -3.830 2.226 1.00 0.00 N ATOM 1282 CA VAL A 84 -0.035 -2.960 2.557 1.00 0.00 C ATOM 1283 C VAL A 84 -1.332 -3.747 2.706 1.00 0.00 C ATOM 1284 O VAL A 84 -1.658 -4.596 1.876 1.00 0.00 O ATOM 1285 CB VAL A 84 -0.223 -1.865 1.490 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.536 -2.480 0.134 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -1.312 -0.890 1.910 1.00 0.00 C ATOM 0 H VAL A 84 1.208 -4.001 1.228 1.00 0.00 H new ATOM 0 HA VAL A 84 0.202 -2.492 3.512 1.00 0.00 H new ATOM 0 HB VAL A 84 0.711 -1.311 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.665 -1.688 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.286 -3.129 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.453 -3.064 0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.430 -0.124 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.253 -1.427 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.035 -0.420 2.853 1.00 0.00 H new ATOM 1297 N VAL A 85 -2.069 -3.451 3.772 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.337 -4.119 4.041 1.00 0.00 C ATOM 1299 C VAL A 85 -4.495 -3.124 3.987 1.00 0.00 C ATOM 1300 O VAL A 85 -4.602 -2.234 4.830 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.319 -4.819 5.417 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.461 -5.814 5.529 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -1.984 -5.512 5.648 1.00 0.00 C ATOM 0 H VAL A 85 -1.808 -2.750 4.466 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.479 -4.874 3.268 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.451 -4.059 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.429 -6.296 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.411 -5.292 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.363 -6.569 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.991 -5.999 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.822 -6.258 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.181 -4.775 5.616 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.351 -3.271 2.976 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.494 -2.376 2.792 1.00 0.00 C ATOM 1315 C ILE A 86 -7.364 -2.287 4.045 1.00 0.00 C ATOM 1316 O ILE A 86 -8.096 -1.315 4.228 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.369 -2.814 1.603 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -7.852 -4.252 1.792 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.595 -2.678 0.299 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -8.805 -4.711 0.710 1.00 0.00 C ATOM 0 H ILE A 86 -5.274 -4.003 2.270 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.075 -1.391 2.588 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.242 -2.163 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.989 -4.918 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.344 -4.338 2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.226 -2.991 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.299 -1.639 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.706 -3.307 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.109 -5.740 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.685 -4.068 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.309 -4.657 -0.259 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.277 -3.294 4.907 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.052 -3.308 6.140 1.00 0.00 C ATOM 1334 C ASP A 87 -7.212 -2.763 7.286 1.00 0.00 C ATOM 1335 O ASP A 87 -7.678 -1.956 8.085 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.522 -4.728 6.461 1.00 0.00 C ATOM 1337 CG ASP A 87 -9.818 -4.745 7.247 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.540 -3.726 7.223 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.110 -5.777 7.886 1.00 0.00 O ATOM 0 H ASP A 87 -6.679 -4.109 4.774 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.930 -2.675 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.657 -5.282 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.749 -5.244 7.030 1.00 0.00 H new ATOM 1344 N GLY A 88 -5.962 -3.207 7.345 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.051 -2.745 8.375 1.00 0.00 C ATOM 1346 C GLY A 88 -4.251 -3.878 8.987 1.00 0.00 C ATOM 1347 O GLY A 88 -4.325 -5.018 8.529 1.00 0.00 O ATOM 0 H GLY A 88 -5.562 -3.882 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.368 -2.010 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.617 -2.239 9.157 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.488 -3.565 10.031 1.00 0.00 N ATOM 1352 CA LEU A 89 -2.674 -4.564 10.716 1.00 0.00 C ATOM 1353 C LEU A 89 -1.944 -3.939 11.904 1.00 0.00 C ATOM 1354 O LEU A 89 -1.145 -3.018 11.737 1.00 0.00 O ATOM 1355 CB LEU A 89 -1.668 -5.192 9.745 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.979 -6.630 9.318 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -0.818 -7.213 8.526 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -2.283 -7.496 10.531 1.00 0.00 C ATOM 0 H LEU A 89 -3.417 -2.625 10.421 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.334 -5.347 11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.613 -4.569 8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.681 -5.173 10.208 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.861 -6.614 8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.056 -8.235 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.645 -6.609 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.080 -7.214 9.144 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.501 -8.513 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.420 -7.505 11.197 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.146 -7.091 11.060 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.225 -4.439 13.102 1.00 0.00 N ATOM 1371 CA ASP A 90 -1.595 -3.916 14.310 1.00 0.00 C ATOM 1372 C ASP A 90 -0.929 -5.029 15.116 1.00 0.00 C ATOM 1373 O ASP A 90 -1.005 -5.047 16.345 1.00 0.00 O ATOM 1374 CB ASP A 90 -2.630 -3.195 15.176 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.738 -4.118 15.642 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -4.340 -4.803 14.789 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -4.004 -4.157 16.863 1.00 0.00 O ATOM 0 H ASP A 90 -2.882 -5.202 13.263 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.824 -3.209 14.005 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.134 -2.760 16.044 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.062 -2.370 14.610 1.00 0.00 H new ATOM 1382 N ARG A 91 -0.271 -5.953 14.421 1.00 0.00 N ATOM 1383 CA ARG A 91 0.409 -7.061 15.082 1.00 0.00 C ATOM 1384 C ARG A 91 1.143 -7.938 14.072 1.00 0.00 C ATOM 1385 O ARG A 91 0.773 -7.995 12.899 1.00 0.00 O ATOM 1386 CB ARG A 91 -0.595 -7.905 15.876 1.00 0.00 C ATOM 1387 CG ARG A 91 -1.551 -8.706 15.006 1.00 0.00 C ATOM 1388 CD ARG A 91 -2.610 -7.818 14.371 1.00 0.00 C ATOM 1389 NE ARG A 91 -3.948 -8.394 14.488 1.00 0.00 N ATOM 1390 CZ ARG A 91 -4.967 -8.076 13.693 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -4.808 -7.187 12.720 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -6.149 -8.649 13.870 1.00 0.00 N ATOM 0 H ARG A 91 -0.195 -5.956 13.404 1.00 0.00 H new ATOM 0 HA ARG A 91 1.144 -6.641 15.768 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.047 -8.590 16.523 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.174 -7.248 16.525 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.990 -9.219 14.225 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.034 -9.475 15.609 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.594 -6.838 14.847 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.372 -7.665 13.318 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.111 -9.082 15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.901 -6.743 12.578 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.593 -6.948 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.277 -9.333 14.615 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.930 -8.406 13.261 1.00 0.00 H new ATOM 1406 N MET A 92 2.182 -8.627 14.538 1.00 0.00 N ATOM 1407 CA MET A 92 2.963 -9.510 13.679 1.00 0.00 C ATOM 1408 C MET A 92 2.068 -10.568 13.044 1.00 0.00 C ATOM 1409 O MET A 92 1.334 -11.269 13.740 1.00 0.00 O ATOM 1410 CB MET A 92 4.078 -10.180 14.483 1.00 0.00 C ATOM 1411 CG MET A 92 5.388 -10.293 13.723 1.00 0.00 C ATOM 1412 SD MET A 92 6.679 -11.112 14.679 1.00 0.00 S ATOM 1413 CE MET A 92 8.138 -10.607 13.770 1.00 0.00 C ATOM 0 H MET A 92 2.502 -8.590 15.506 1.00 0.00 H new ATOM 0 HA MET A 92 3.410 -8.911 12.886 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.246 -9.613 15.399 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.752 -11.177 14.780 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.220 -10.846 12.798 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.727 -9.296 13.442 1.00 0.00 H new ATOM 0 HE1 MET A 92 8.722 -11.487 13.501 1.00 0.00 H new ATOM 0 HE2 MET A 92 7.838 -10.080 12.864 1.00 0.00 H new ATOM 0 HE3 MET A 92 8.743 -9.946 14.391 1.00 0.00 H new ATOM 1423 N ALA A 93 2.121 -10.674 11.719 1.00 0.00 N ATOM 1424 CA ALA A 93 1.294 -11.646 11.010 1.00 0.00 C ATOM 1425 C ALA A 93 2.052 -12.341 9.885 1.00 0.00 C ATOM 1426 O ALA A 93 2.620 -11.690 9.010 1.00 0.00 O ATOM 1427 CB ALA A 93 0.050 -10.966 10.459 1.00 0.00 C ATOM 0 H ALA A 93 2.720 -10.106 11.120 1.00 0.00 H new ATOM 0 HA ALA A 93 1.007 -12.414 11.728 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.561 -11.698 9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.525 -10.538 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.343 -10.174 9.770 1.00 0.00 H new ATOM 1433 N HIS A 94 2.043 -13.671 9.908 1.00 0.00 N ATOM 1434 CA HIS A 94 2.720 -14.461 8.885 1.00 0.00 C ATOM 1435 C HIS A 94 2.235 -14.079 7.491 1.00 0.00 C ATOM 1436 O HIS A 94 1.084 -13.681 7.309 1.00 0.00 O ATOM 1437 CB HIS A 94 2.489 -15.955 9.128 1.00 0.00 C ATOM 1438 CG HIS A 94 2.990 -16.836 8.024 1.00 0.00 C ATOM 1439 ND1 HIS A 94 2.237 -17.145 6.911 1.00 0.00 N ATOM 1440 CD2 HIS A 94 4.171 -17.479 7.867 1.00 0.00 C ATOM 1441 CE1 HIS A 94 2.932 -17.940 6.118 1.00 0.00 C ATOM 1442 NE2 HIS A 94 4.110 -18.157 6.674 1.00 0.00 N ATOM 0 H HIS A 94 1.574 -14.224 10.625 1.00 0.00 H new ATOM 0 HA HIS A 94 3.788 -14.251 8.947 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.979 -16.241 10.059 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.422 -16.130 9.263 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.290 -16.811 6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.006 -17.462 8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.594 -18.344 5.175 1.00 0.00 H new ATOM 1451 N PHE A 95 3.124 -14.199 6.513 1.00 0.00 N ATOM 1452 CA PHE A 95 2.790 -13.862 5.135 1.00 0.00 C ATOM 1453 C PHE A 95 3.164 -14.994 4.176 1.00 0.00 C ATOM 1454 O PHE A 95 2.541 -15.149 3.126 1.00 0.00 O ATOM 1455 CB PHE A 95 3.499 -12.569 4.725 1.00 0.00 C ATOM 1456 CG PHE A 95 3.268 -12.180 3.291 1.00 0.00 C ATOM 1457 CD1 PHE A 95 2.063 -11.621 2.897 1.00 0.00 C ATOM 1458 CD2 PHE A 95 4.257 -12.372 2.339 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.847 -11.264 1.580 1.00 0.00 C ATOM 1460 CE2 PHE A 95 4.046 -12.016 1.021 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.841 -11.461 0.641 1.00 0.00 C ATOM 0 H PHE A 95 4.080 -14.527 6.648 1.00 0.00 H new ATOM 0 HA PHE A 95 1.711 -13.717 5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.160 -11.759 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.570 -12.684 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.284 -11.463 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.203 -12.805 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.902 -10.832 1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.824 -12.172 0.288 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.675 -11.181 -0.389 1.00 0.00 H new ATOM 1471 N LYS A 96 4.177 -15.782 4.537 1.00 0.00 N ATOM 1472 CA LYS A 96 4.617 -16.890 3.692 1.00 0.00 C ATOM 1473 C LYS A 96 5.792 -17.630 4.322 1.00 0.00 C ATOM 1474 O LYS A 96 6.658 -17.018 4.946 1.00 0.00 O ATOM 1475 CB LYS A 96 5.017 -16.378 2.305 1.00 0.00 C ATOM 1476 CG LYS A 96 5.214 -17.484 1.281 1.00 0.00 C ATOM 1477 CD LYS A 96 5.756 -16.938 -0.031 1.00 0.00 C ATOM 1478 CE LYS A 96 7.158 -16.373 0.137 1.00 0.00 C ATOM 1479 NZ LYS A 96 8.031 -16.699 -1.025 1.00 0.00 N ATOM 0 H LYS A 96 4.705 -15.674 5.403 1.00 0.00 H new ATOM 0 HA LYS A 96 3.782 -17.584 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.249 -15.693 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.940 -15.805 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.902 -18.230 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.265 -17.989 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.769 -17.731 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.091 -16.159 -0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.101 -15.291 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.603 -16.771 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.973 -16.282 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.120 -17.731 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.611 -16.312 -1.894 1.00 0.00 H new ATOM 1493 N ASP A 97 5.818 -18.950 4.145 1.00 0.00 N ATOM 1494 CA ASP A 97 6.890 -19.784 4.689 1.00 0.00 C ATOM 1495 C ASP A 97 7.146 -19.465 6.164 1.00 0.00 C ATOM 1496 O ASP A 97 6.542 -20.069 7.050 1.00 0.00 O ATOM 1497 CB ASP A 97 8.171 -19.602 3.870 1.00 0.00 C ATOM 1498 CG ASP A 97 8.325 -20.657 2.793 1.00 0.00 C ATOM 1499 OD1 ASP A 97 7.596 -20.583 1.781 1.00 0.00 O ATOM 1500 OD2 ASP A 97 9.172 -21.558 2.961 1.00 0.00 O ATOM 0 H ASP A 97 5.107 -19.467 3.628 1.00 0.00 H new ATOM 0 HA ASP A 97 6.575 -20.825 4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.167 -18.614 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.033 -19.639 4.536 1.00 0.00 H new ATOM 1505 N ASP A 98 8.037 -18.511 6.422 1.00 0.00 N ATOM 1506 CA ASP A 98 8.356 -18.116 7.788 1.00 0.00 C ATOM 1507 C ASP A 98 8.522 -16.603 7.899 1.00 0.00 C ATOM 1508 O ASP A 98 9.050 -16.100 8.891 1.00 0.00 O ATOM 1509 CB ASP A 98 9.628 -18.820 8.264 1.00 0.00 C ATOM 1510 CG ASP A 98 9.456 -20.323 8.362 1.00 0.00 C ATOM 1511 OD1 ASP A 98 9.378 -20.982 7.304 1.00 0.00 O ATOM 1512 OD2 ASP A 98 9.399 -20.840 9.498 1.00 0.00 O ATOM 0 H ASP A 98 8.549 -17.999 5.704 1.00 0.00 H new ATOM 0 HA ASP A 98 7.525 -18.416 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.443 -18.595 7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.915 -18.426 9.239 1.00 0.00 H new ATOM 1517 N LEU A 99 8.062 -15.879 6.882 1.00 0.00 N ATOM 1518 CA LEU A 99 8.153 -14.427 6.875 1.00 0.00 C ATOM 1519 C LEU A 99 6.835 -13.816 7.330 1.00 0.00 C ATOM 1520 O LEU A 99 5.780 -14.111 6.769 1.00 0.00 O ATOM 1521 CB LEU A 99 8.509 -13.920 5.477 1.00 0.00 C ATOM 1522 CG LEU A 99 9.951 -14.182 5.039 1.00 0.00 C ATOM 1523 CD1 LEU A 99 10.199 -13.607 3.653 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.930 -13.597 6.048 1.00 0.00 C ATOM 0 H LEU A 99 7.622 -16.278 6.052 1.00 0.00 H new ATOM 0 HA LEU A 99 8.940 -14.127 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.837 -14.386 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.323 -12.847 5.439 1.00 0.00 H new ATOM 0 HG LEU A 99 10.109 -15.260 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.230 -13.802 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.522 -14.075 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.024 -12.531 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.951 -13.793 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.774 -12.521 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.767 -14.058 7.022 1.00 0.00 H new ATOM 1536 N VAL A 100 6.896 -12.969 8.351 1.00 0.00 N ATOM 1537 CA VAL A 100 5.696 -12.332 8.871 1.00 0.00 C ATOM 1538 C VAL A 100 5.665 -10.847 8.555 1.00 0.00 C ATOM 1539 O VAL A 100 6.594 -10.298 7.962 1.00 0.00 O ATOM 1540 CB VAL A 100 5.564 -12.505 10.395 1.00 0.00 C ATOM 1541 CG1 VAL A 100 5.367 -13.966 10.762 1.00 0.00 C ATOM 1542 CG2 VAL A 100 6.771 -11.927 11.112 1.00 0.00 C ATOM 0 H VAL A 100 7.758 -12.710 8.831 1.00 0.00 H new ATOM 0 HA VAL A 100 4.861 -12.829 8.378 1.00 0.00 H new ATOM 0 HB VAL A 100 4.681 -11.954 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.277 -14.060 11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.460 -14.341 10.288 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.223 -14.546 10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.654 -12.061 12.187 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.673 -12.440 10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.854 -10.864 10.886 1.00 0.00 H new ATOM 1552 N LEU A 101 4.579 -10.208 8.961 1.00 0.00 N ATOM 1553 CA LEU A 101 4.388 -8.787 8.740 1.00 0.00 C ATOM 1554 C LEU A 101 4.177 -8.072 10.066 1.00 0.00 C ATOM 1555 O LEU A 101 3.271 -8.411 10.825 1.00 0.00 O ATOM 1556 CB LEU A 101 3.178 -8.569 7.834 1.00 0.00 C ATOM 1557 CG LEU A 101 3.468 -8.651 6.338 1.00 0.00 C ATOM 1558 CD1 LEU A 101 2.171 -8.722 5.546 1.00 0.00 C ATOM 1559 CD2 LEU A 101 4.304 -7.461 5.900 1.00 0.00 C ATOM 0 H LEU A 101 3.808 -10.661 9.452 1.00 0.00 H new ATOM 0 HA LEU A 101 5.278 -8.379 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.419 -9.311 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.751 -7.590 8.053 1.00 0.00 H new ATOM 0 HG LEU A 101 4.035 -9.561 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.397 -8.780 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.609 -9.607 5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.576 -7.830 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.504 -7.531 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.761 -6.539 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.247 -7.458 6.446 1.00 0.00 H new ATOM 1571 N VAL A 102 5.015 -7.082 10.342 1.00 0.00 N ATOM 1572 CA VAL A 102 4.910 -6.325 11.581 1.00 0.00 C ATOM 1573 C VAL A 102 4.326 -4.941 11.324 1.00 0.00 C ATOM 1574 O VAL A 102 4.727 -4.260 10.383 1.00 0.00 O ATOM 1575 CB VAL A 102 6.282 -6.167 12.264 1.00 0.00 C ATOM 1576 CG1 VAL A 102 6.121 -5.576 13.655 1.00 0.00 C ATOM 1577 CG2 VAL A 102 7.012 -7.503 12.323 1.00 0.00 C ATOM 0 H VAL A 102 5.773 -6.785 9.727 1.00 0.00 H new ATOM 0 HA VAL A 102 4.247 -6.886 12.240 1.00 0.00 H new ATOM 0 HB VAL A 102 6.884 -5.480 11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.101 -5.472 14.122 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.648 -4.597 13.582 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.499 -6.235 14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.978 -7.368 12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.417 -8.218 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.164 -7.880 11.311 1.00 0.00 H new ATOM 1587 N PRO A 103 3.373 -4.496 12.163 1.00 0.00 N ATOM 1588 CA PRO A 103 2.747 -3.181 12.015 1.00 0.00 C ATOM 1589 C PRO A 103 3.786 -2.085 11.806 1.00 0.00 C ATOM 1590 O PRO A 103 4.696 -1.918 12.618 1.00 0.00 O ATOM 1591 CB PRO A 103 2.001 -2.976 13.346 1.00 0.00 C ATOM 1592 CG PRO A 103 2.424 -4.107 14.230 1.00 0.00 C ATOM 1593 CD PRO A 103 2.831 -5.223 13.314 1.00 0.00 C ATOM 0 HA PRO A 103 2.092 -3.132 11.145 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.255 -2.015 13.793 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.922 -2.981 13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.252 -3.810 14.873 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.608 -4.417 14.883 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.576 -5.874 13.772 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.985 -5.852 13.037 1.00 0.00 H new ATOM 1601 N LEU A 104 3.654 -1.352 10.705 1.00 0.00 N ATOM 1602 CA LEU A 104 4.595 -0.288 10.385 1.00 0.00 C ATOM 1603 C LEU A 104 3.900 1.069 10.290 1.00 0.00 C ATOM 1604 O LEU A 104 4.330 2.035 10.919 1.00 0.00 O ATOM 1605 CB LEU A 104 5.316 -0.606 9.074 1.00 0.00 C ATOM 1606 CG LEU A 104 6.517 0.290 8.760 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.801 -0.525 8.721 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.310 1.024 7.444 1.00 0.00 C ATOM 0 H LEU A 104 2.906 -1.476 10.022 1.00 0.00 H new ATOM 0 HA LEU A 104 5.323 -0.230 11.194 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.653 -1.642 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.600 -0.528 8.256 1.00 0.00 H new ATOM 0 HG LEU A 104 6.606 1.030 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.642 0.131 8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.960 -1.000 9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.722 -1.291 7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.175 1.655 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.191 0.300 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.416 1.644 7.510 1.00 0.00 H new ATOM 1620 N THR A 105 2.830 1.145 9.500 1.00 0.00 N ATOM 1621 CA THR A 105 2.103 2.402 9.342 1.00 0.00 C ATOM 1622 C THR A 105 0.650 2.173 8.949 1.00 0.00 C ATOM 1623 O THR A 105 0.358 1.532 7.942 1.00 0.00 O ATOM 1624 CB THR A 105 2.797 3.283 8.303 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.204 3.220 8.453 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.392 4.739 8.387 1.00 0.00 C ATOM 0 H THR A 105 2.452 0.362 8.966 1.00 0.00 H new ATOM 0 HA THR A 105 2.106 2.908 10.307 1.00 0.00 H new ATOM 0 HB THR A 105 2.484 2.890 7.335 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.631 3.789 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.921 5.308 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.317 4.828 8.227 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.646 5.131 9.372 1.00 0.00 H new ATOM 1634 N THR A 106 -0.259 2.718 9.756 1.00 0.00 N ATOM 1635 CA THR A 106 -1.689 2.591 9.505 1.00 0.00 C ATOM 1636 C THR A 106 -2.314 3.955 9.239 1.00 0.00 C ATOM 1637 O THR A 106 -2.413 4.790 10.138 1.00 0.00 O ATOM 1638 CB THR A 106 -2.380 1.925 10.697 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.702 0.740 11.072 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.824 1.562 10.424 1.00 0.00 C ATOM 0 H THR A 106 -0.026 3.254 10.592 1.00 0.00 H new ATOM 0 HA THR A 106 -1.825 1.968 8.621 1.00 0.00 H new ATOM 0 HB THR A 106 -2.353 2.664 11.497 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.158 0.330 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.255 1.094 11.309 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.386 2.464 10.180 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.872 0.867 9.586 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.735 4.174 7.998 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.351 5.440 7.614 1.00 0.00 C ATOM 1650 C LYS A 107 -4.645 5.205 6.841 1.00 0.00 C ATOM 1651 O LYS A 107 -4.642 4.579 5.781 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.381 6.267 6.768 1.00 0.00 C ATOM 1653 CG LYS A 107 -2.497 7.764 7.000 1.00 0.00 C ATOM 1654 CD LYS A 107 -1.375 8.524 6.310 1.00 0.00 C ATOM 1655 CE LYS A 107 -0.068 8.406 7.077 1.00 0.00 C ATOM 1656 NZ LYS A 107 0.023 9.406 8.176 1.00 0.00 N ATOM 0 H LYS A 107 -2.661 3.493 7.242 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.589 5.990 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.361 5.952 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.560 6.056 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.459 8.117 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.473 7.970 8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.241 8.138 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.650 9.575 6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.020 7.402 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.769 8.542 6.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.929 9.292 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.035 10.365 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -0.761 9.260 8.844 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.749 5.713 7.378 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.050 5.561 6.739 1.00 0.00 C ATOM 1672 C VAL A 108 -7.204 6.530 5.572 1.00 0.00 C ATOM 1673 O VAL A 108 -7.132 7.745 5.749 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.200 5.791 7.739 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.538 5.449 7.104 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.977 4.976 9.004 1.00 0.00 C ATOM 0 H VAL A 108 -5.768 6.234 8.255 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.102 4.537 6.368 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.214 6.846 8.012 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.337 5.618 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.698 6.081 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.539 4.402 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.798 5.151 9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.934 3.917 8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.038 5.276 9.469 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.417 5.983 4.379 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.580 6.800 3.183 1.00 0.00 C ATOM 1688 C VAL A 109 -8.977 6.637 2.592 1.00 0.00 C ATOM 1689 O VAL A 109 -9.389 5.532 2.243 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.536 6.441 2.109 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -5.177 7.019 2.470 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -6.450 4.933 1.928 1.00 0.00 C ATOM 0 H VAL A 109 -7.481 4.978 4.216 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.435 7.837 3.487 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.852 6.880 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.453 6.755 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.251 8.104 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.852 6.613 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.707 4.700 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -6.160 4.469 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.421 4.548 1.618 1.00 0.00 H new ATOM 1702 N GLY A 110 -9.699 7.748 2.481 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.042 7.708 1.932 1.00 0.00 C ATOM 1704 C GLY A 110 -12.034 7.051 2.872 1.00 0.00 C ATOM 1705 O GLY A 110 -12.952 7.702 3.371 1.00 0.00 O ATOM 0 H GLY A 110 -9.378 8.675 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.372 8.723 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.029 7.166 0.986 1.00 0.00 H new ATOM 1709 N GLY A 111 -11.849 5.757 3.112 1.00 0.00 N ATOM 1710 CA GLY A 111 -12.741 5.031 3.997 1.00 0.00 C ATOM 1711 C GLY A 111 -12.295 3.600 4.221 1.00 0.00 C ATOM 1712 O GLY A 111 -13.124 2.698 4.352 1.00 0.00 O ATOM 0 H GLY A 111 -11.097 5.198 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.795 5.546 4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.747 5.034 3.577 1.00 0.00 H new ATOM 1716 N SER A 112 -10.984 3.390 4.265 1.00 0.00 N ATOM 1717 CA SER A 112 -10.430 2.058 4.475 1.00 0.00 C ATOM 1718 C SER A 112 -9.072 2.135 5.165 1.00 0.00 C ATOM 1719 O SER A 112 -8.161 2.816 4.693 1.00 0.00 O ATOM 1720 CB SER A 112 -10.295 1.324 3.139 1.00 0.00 C ATOM 1721 OG SER A 112 -11.433 0.519 2.882 1.00 0.00 O ATOM 0 H SER A 112 -10.285 4.125 4.158 1.00 0.00 H new ATOM 0 HA SER A 112 -11.113 1.505 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.168 2.048 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.400 0.701 3.151 1.00 0.00 H new ATOM 0 HG SER A 112 -12.233 0.960 3.237 1.00 0.00 H new ATOM 1727 N ARG A 113 -8.943 1.430 6.284 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.697 1.416 7.040 1.00 0.00 C ATOM 1729 C ARG A 113 -6.579 0.769 6.232 1.00 0.00 C ATOM 1730 O ARG A 113 -6.608 -0.433 5.967 1.00 0.00 O ATOM 1731 CB ARG A 113 -7.886 0.665 8.358 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.141 1.575 9.548 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.425 0.777 10.810 1.00 0.00 C ATOM 1734 NE ARG A 113 -9.853 0.729 11.118 1.00 0.00 N ATOM 1735 CZ ARG A 113 -10.394 -0.115 11.995 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -9.632 -0.980 12.650 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -11.701 -0.091 12.216 1.00 0.00 N ATOM 0 H ARG A 113 -9.687 0.861 6.687 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.418 2.448 7.253 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.722 -0.027 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.998 0.065 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.274 2.216 9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -8.986 2.229 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.046 -0.238 10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.888 1.221 11.648 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.471 1.380 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.626 -1.002 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.052 -1.624 13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.291 0.573 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.117 -0.737 12.887 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.594 1.570 5.845 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.469 1.069 5.067 1.00 0.00 C ATOM 1753 C CYS A 114 -3.219 0.936 5.932 1.00 0.00 C ATOM 1754 O CYS A 114 -2.471 1.898 6.108 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.187 2.001 3.886 1.00 0.00 C ATOM 1756 SG CYS A 114 -3.694 1.145 2.372 1.00 0.00 S ATOM 0 H CYS A 114 -5.552 2.567 6.057 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.733 0.081 4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.080 2.592 3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.400 2.700 4.168 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.632 0.319 2.016 1.00 0.00 H new ATOM 1762 N THR A 115 -2.993 -0.262 6.464 1.00 0.00 N ATOM 1763 CA THR A 115 -1.825 -0.511 7.301 1.00 0.00 C ATOM 1764 C THR A 115 -0.699 -1.133 6.488 1.00 0.00 C ATOM 1765 O THR A 115 -0.933 -1.973 5.620 1.00 0.00 O ATOM 1766 CB THR A 115 -2.170 -1.432 8.470 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.150 -0.845 9.309 1.00 0.00 O ATOM 1768 CG2 THR A 115 -0.973 -1.774 9.334 1.00 0.00 C ATOM 0 H THR A 115 -3.600 -1.071 6.331 1.00 0.00 H new ATOM 0 HA THR A 115 -1.497 0.451 7.694 1.00 0.00 H new ATOM 0 HB THR A 115 -2.545 -2.347 8.011 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.710 -0.383 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.286 -2.431 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.220 -2.279 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.551 -0.859 9.750 1.00 0.00 H new ATOM 1776 N ILE A 116 0.525 -0.733 6.798 1.00 0.00 N ATOM 1777 CA ILE A 116 1.697 -1.265 6.127 1.00 0.00 C ATOM 1778 C ILE A 116 2.573 -1.981 7.150 1.00 0.00 C ATOM 1779 O ILE A 116 2.699 -1.528 8.288 1.00 0.00 O ATOM 1780 CB ILE A 116 2.475 -0.141 5.389 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.551 -0.441 3.894 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.875 0.064 5.954 1.00 0.00 C ATOM 1783 CD1 ILE A 116 3.210 0.664 3.100 1.00 0.00 C ATOM 0 H ILE A 116 0.731 -0.037 7.515 1.00 0.00 H new ATOM 0 HA ILE A 116 1.388 -1.982 5.367 1.00 0.00 H new ATOM 0 HB ILE A 116 1.923 0.786 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.104 -1.368 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.544 -0.605 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.376 0.860 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.806 0.338 7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.446 -0.860 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.233 0.390 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.644 1.587 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.229 0.812 3.459 1.00 0.00 H new ATOM 1795 N CYS A 117 3.146 -3.117 6.765 1.00 0.00 N ATOM 1796 CA CYS A 117 3.966 -3.886 7.694 1.00 0.00 C ATOM 1797 C CYS A 117 5.261 -4.381 7.062 1.00 0.00 C ATOM 1798 O CYS A 117 5.276 -4.845 5.922 1.00 0.00 O ATOM 1799 CB CYS A 117 3.167 -5.082 8.214 1.00 0.00 C ATOM 1800 SG CYS A 117 1.631 -4.635 9.053 1.00 0.00 S ATOM 0 H CYS A 117 3.060 -3.520 5.832 1.00 0.00 H new ATOM 0 HA CYS A 117 4.236 -3.219 8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.933 -5.740 7.377 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.792 -5.651 8.902 1.00 0.00 H new ATOM 0 HG CYS A 117 1.467 -5.397 10.093 1.00 0.00 H new ATOM 1806 N ASP A 118 6.344 -4.301 7.833 1.00 0.00 N ATOM 1807 CA ASP A 118 7.647 -4.765 7.374 1.00 0.00 C ATOM 1808 C ASP A 118 7.674 -6.286 7.333 1.00 0.00 C ATOM 1809 O ASP A 118 7.163 -6.949 8.235 1.00 0.00 O ATOM 1810 CB ASP A 118 8.753 -4.246 8.296 1.00 0.00 C ATOM 1811 CG ASP A 118 10.139 -4.557 7.768 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.358 -5.699 7.311 1.00 0.00 O ATOM 1813 OD2 ASP A 118 11.006 -3.659 7.811 1.00 0.00 O ATOM 0 H ASP A 118 6.342 -3.919 8.779 1.00 0.00 H new ATOM 0 HA ASP A 118 7.820 -4.379 6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.646 -3.168 8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.636 -4.690 9.285 1.00 0.00 H new ATOM 1818 N VAL A 119 8.267 -6.839 6.281 1.00 0.00 N ATOM 1819 CA VAL A 119 8.349 -8.282 6.132 1.00 0.00 C ATOM 1820 C VAL A 119 9.596 -8.817 6.823 1.00 0.00 C ATOM 1821 O VAL A 119 10.718 -8.532 6.404 1.00 0.00 O ATOM 1822 CB VAL A 119 8.363 -8.699 4.648 1.00 0.00 C ATOM 1823 CG1 VAL A 119 7.890 -10.133 4.496 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.501 -7.758 3.816 1.00 0.00 C ATOM 0 H VAL A 119 8.696 -6.309 5.522 1.00 0.00 H new ATOM 0 HA VAL A 119 7.462 -8.709 6.599 1.00 0.00 H new ATOM 0 HB VAL A 119 9.388 -8.633 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.906 -10.412 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.550 -10.795 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 119 6.874 -10.224 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.525 -8.070 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.474 -7.788 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.886 -6.742 3.900 1.00 0.00 H new ATOM 1834 N VAL A 120 9.397 -9.578 7.893 1.00 0.00 N ATOM 1835 CA VAL A 120 10.516 -10.129 8.645 1.00 0.00 C ATOM 1836 C VAL A 120 10.340 -11.622 8.894 1.00 0.00 C ATOM 1837 O VAL A 120 9.221 -12.110 9.046 1.00 0.00 O ATOM 1838 CB VAL A 120 10.694 -9.404 9.994 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.604 -8.196 9.831 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.346 -8.985 10.565 1.00 0.00 C ATOM 0 H VAL A 120 8.477 -9.826 8.257 1.00 0.00 H new ATOM 0 HA VAL A 120 11.409 -9.977 8.038 1.00 0.00 H new ATOM 0 HB VAL A 120 11.159 -10.096 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.719 -7.695 10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.580 -8.522 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.165 -7.504 9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.497 -8.475 11.517 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.849 -8.311 9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.726 -9.868 10.720 1.00 0.00 H new ATOM 1850 N LYS A 121 11.456 -12.344 8.929 1.00 0.00 N ATOM 1851 CA LYS A 121 11.430 -13.784 9.153 1.00 0.00 C ATOM 1852 C LYS A 121 11.135 -14.109 10.614 1.00 0.00 C ATOM 1853 O LYS A 121 11.451 -13.327 11.511 1.00 0.00 O ATOM 1854 CB LYS A 121 12.766 -14.408 8.741 1.00 0.00 C ATOM 1855 CG LYS A 121 12.755 -15.928 8.750 1.00 0.00 C ATOM 1856 CD LYS A 121 13.458 -16.500 7.528 1.00 0.00 C ATOM 1857 CE LYS A 121 12.461 -16.956 6.473 1.00 0.00 C ATOM 1858 NZ LYS A 121 12.842 -18.268 5.880 1.00 0.00 N ATOM 0 H LYS A 121 12.390 -11.954 8.805 1.00 0.00 H new ATOM 0 HA LYS A 121 10.632 -14.204 8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.027 -14.061 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.546 -14.054 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.243 -16.291 9.654 1.00 0.00 H new ATOM 0 HG3 LYS A 121 11.725 -16.285 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 121 14.121 -15.746 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.083 -17.341 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.470 -17.033 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 121 12.398 -16.206 5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.138 -18.544 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.777 -18.188 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.878 -18.990 6.628 1.00 0.00 H new ATOM 1872 N GLU A 122 10.527 -15.268 10.842 1.00 0.00 N ATOM 1873 CA GLU A 122 10.186 -15.704 12.190 1.00 0.00 C ATOM 1874 C GLU A 122 11.365 -16.411 12.849 1.00 0.00 C ATOM 1875 O GLU A 122 12.145 -17.094 12.182 1.00 0.00 O ATOM 1876 CB GLU A 122 8.973 -16.635 12.152 1.00 0.00 C ATOM 1877 CG GLU A 122 7.648 -15.904 11.999 1.00 0.00 C ATOM 1878 CD GLU A 122 6.851 -15.868 13.289 1.00 0.00 C ATOM 1879 OE1 GLU A 122 7.433 -15.523 14.337 1.00 0.00 O ATOM 1880 OE2 GLU A 122 5.643 -16.186 13.247 1.00 0.00 O ATOM 0 H GLU A 122 10.260 -15.924 10.108 1.00 0.00 H new ATOM 0 HA GLU A 122 9.941 -14.821 12.781 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.089 -17.336 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.949 -17.225 13.069 1.00 0.00 H new ATOM 0 HG2 GLU A 122 7.836 -14.884 11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 122 7.056 -16.390 11.224 1.00 0.00 H new ATOM 1887 N GLU A 123 11.492 -16.244 14.162 1.00 0.00 N ATOM 1888 CA GLU A 123 12.577 -16.866 14.912 1.00 0.00 C ATOM 1889 C GLU A 123 12.033 -17.671 16.089 1.00 0.00 C ATOM 1890 O GLU A 123 12.660 -18.688 16.449 1.00 0.00 O ATOM 1891 CB GLU A 123 13.555 -15.803 15.415 1.00 0.00 C ATOM 1892 CG GLU A 123 14.693 -15.518 14.449 1.00 0.00 C ATOM 1893 CD GLU A 123 15.991 -16.181 14.869 1.00 0.00 C ATOM 1894 OE1 GLU A 123 15.986 -17.409 15.091 1.00 0.00 O ATOM 1895 OE2 GLU A 123 17.014 -15.470 14.973 1.00 0.00 O ATOM 1896 OXT GLU A 123 10.985 -17.275 16.640 1.00 0.00 O ATOM 0 H GLU A 123 10.856 -15.683 14.729 1.00 0.00 H new ATOM 0 HA GLU A 123 13.104 -17.545 14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.009 -14.879 15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.972 -16.127 16.369 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.416 -15.866 13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.845 -14.441 14.379 1.00 0.00 H new TER 1903 GLU A 123