USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 817 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 34 HIS : no HE2:sc= -11.6! C(o=-14!,f=-18!) USER MOD Set 1.2: A 106 ASN : amide:sc= -2! K(o=-14!,f=-11) USER MOD Set 2.1: A 30 TYR OH : rot 0:sc= 0.371 USER MOD Set 2.2: A 63 HIS : no HE2:sc= -9.23! C(o=-8.9!,f=-8.8!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : A 7 SER OG : rot 180:sc= -0.771 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.061) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0667 (180deg=-0.43) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.21) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-8.9!) USER MOD Single : A 59 GLN : amide:sc= -7.06! C(o=-7.1!,f=-22!) USER MOD Single : A 64 CYS SG : rot -150:sc= -2.85! USER MOD Single : A 65 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -160:sc= -1.51 USER MOD Single : A 71 SER OG : rot -84:sc= 0.115 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.96) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 0.235 (180deg=0.167) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 8.232 -0.756 11.354 1.00 0.00 N ATOM 29 CA LEU A 3 7.702 -0.172 10.128 1.00 0.00 C ATOM 30 C LEU A 3 8.380 1.161 9.831 1.00 0.00 C ATOM 31 O LEU A 3 8.401 2.059 10.672 1.00 0.00 O ATOM 32 CB LEU A 3 6.194 0.043 10.263 1.00 0.00 C ATOM 33 CG LEU A 3 5.889 0.653 11.631 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.840 1.756 11.479 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.352 -0.436 12.563 1.00 0.00 C ATOM 0 HA LEU A 3 7.901 -0.859 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.837 0.701 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.669 -0.905 10.150 1.00 0.00 H new ATOM 0 HG LEU A 3 6.801 1.077 12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.624 2.190 12.455 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.221 2.531 10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.927 1.334 11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.134 -0.004 13.540 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.440 -0.859 12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.099 -1.222 12.673 1.00 0.00 H new ATOM 47 N THR A 4 8.933 1.279 8.630 1.00 0.00 N ATOM 48 CA THR A 4 9.609 2.507 8.230 1.00 0.00 C ATOM 49 C THR A 4 8.851 3.185 7.095 1.00 0.00 C ATOM 50 O THR A 4 8.379 2.524 6.170 1.00 0.00 O ATOM 51 CB THR A 4 11.036 2.189 7.778 1.00 0.00 C ATOM 52 OG1 THR A 4 11.670 1.376 8.756 1.00 0.00 O ATOM 53 CG2 THR A 4 11.821 3.489 7.605 1.00 0.00 C ATOM 0 H THR A 4 8.927 0.546 7.921 1.00 0.00 H new ATOM 0 HA THR A 4 9.641 3.183 9.085 1.00 0.00 H new ATOM 0 HB THR A 4 11.006 1.658 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.584 1.170 8.468 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.837 3.260 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.334 4.111 6.854 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.853 4.024 8.554 1.00 0.00 H new ATOM 61 N THR A 5 8.739 4.507 7.168 1.00 0.00 N ATOM 62 CA THR A 5 8.035 5.258 6.136 1.00 0.00 C ATOM 63 C THR A 5 8.918 5.414 4.904 1.00 0.00 C ATOM 64 O THR A 5 10.137 5.540 5.018 1.00 0.00 O ATOM 65 CB THR A 5 7.640 6.638 6.665 1.00 0.00 C ATOM 66 OG1 THR A 5 8.702 7.165 7.446 1.00 0.00 O ATOM 67 CG2 THR A 5 6.382 6.516 7.526 1.00 0.00 C ATOM 0 H THR A 5 9.123 5.076 7.923 1.00 0.00 H new ATOM 0 HA THR A 5 7.134 4.710 5.861 1.00 0.00 H new ATOM 0 HB THR A 5 7.439 7.305 5.827 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.451 8.050 7.784 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.102 7.500 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.567 6.112 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.579 5.849 8.365 1.00 0.00 H new ATOM 75 N ILE A 6 8.300 5.394 3.728 1.00 0.00 N ATOM 76 CA ILE A 6 9.056 5.524 2.490 1.00 0.00 C ATOM 77 C ILE A 6 8.427 6.557 1.567 1.00 0.00 C ATOM 78 O ILE A 6 7.265 6.932 1.722 1.00 0.00 O ATOM 79 CB ILE A 6 9.140 4.157 1.785 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.595 3.697 1.762 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.613 4.244 0.346 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.660 2.198 1.468 1.00 0.00 C ATOM 0 H ILE A 6 7.293 5.291 3.607 1.00 0.00 H new ATOM 0 HA ILE A 6 10.062 5.865 2.735 1.00 0.00 H new ATOM 0 HB ILE A 6 8.524 3.444 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.149 4.250 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.068 3.910 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.684 3.265 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.572 4.566 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.208 4.963 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.701 1.875 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.122 1.652 2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.204 1.997 0.499 1.00 0.00 H new ATOM 94 N SER A 7 9.212 6.994 0.594 1.00 0.00 N ATOM 95 CA SER A 7 8.742 7.970 -0.378 1.00 0.00 C ATOM 96 C SER A 7 8.466 7.276 -1.711 1.00 0.00 C ATOM 97 O SER A 7 9.193 6.364 -2.102 1.00 0.00 O ATOM 98 CB SER A 7 9.788 9.068 -0.570 1.00 0.00 C ATOM 99 OG SER A 7 9.217 10.134 -1.317 1.00 0.00 O ATOM 0 H SER A 7 10.176 6.689 0.456 1.00 0.00 H new ATOM 0 HA SER A 7 7.821 8.423 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.133 9.431 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.659 8.670 -1.090 1.00 0.00 H new ATOM 0 HG SER A 7 9.884 10.841 -1.441 1.00 0.00 H new ATOM 105 N PRO A 8 7.434 7.680 -2.405 1.00 0.00 N ATOM 106 CA PRO A 8 7.063 7.072 -3.713 1.00 0.00 C ATOM 107 C PRO A 8 8.281 6.799 -4.591 1.00 0.00 C ATOM 108 O PRO A 8 8.207 6.034 -5.553 1.00 0.00 O ATOM 109 CB PRO A 8 6.156 8.120 -4.351 1.00 0.00 C ATOM 110 CG PRO A 8 5.559 8.890 -3.216 1.00 0.00 C ATOM 111 CD PRO A 8 6.512 8.761 -2.024 1.00 0.00 C ATOM 0 HA PRO A 8 6.583 6.101 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.722 8.775 -5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.380 7.650 -4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.426 9.937 -3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.573 8.499 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.047 9.693 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.972 8.518 -1.109 1.00 0.00 H new ATOM 119 N HIS A 9 9.397 7.434 -4.256 1.00 0.00 N ATOM 120 CA HIS A 9 10.625 7.260 -5.025 1.00 0.00 C ATOM 121 C HIS A 9 11.352 5.980 -4.616 1.00 0.00 C ATOM 122 O HIS A 9 12.062 5.381 -5.423 1.00 0.00 O ATOM 123 CB HIS A 9 11.548 8.462 -4.811 1.00 0.00 C ATOM 124 CG HIS A 9 11.581 9.301 -6.060 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.480 10.021 -6.494 1.00 0.00 N ATOM 126 CD2 HIS A 9 12.572 9.540 -6.979 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.831 10.653 -7.629 1.00 0.00 C ATOM 128 NE2 HIS A 9 12.096 10.394 -7.969 1.00 0.00 N ATOM 0 H HIS A 9 9.479 8.070 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 9 10.357 7.185 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.196 9.058 -3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.553 8.122 -4.562 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.570 9.128 -6.940 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.170 11.292 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.604 10.746 -8.780 1.00 0.00 H new ATOM 136 N ASP A 10 11.176 5.564 -3.365 1.00 0.00 N ATOM 137 CA ASP A 10 11.832 4.354 -2.886 1.00 0.00 C ATOM 138 C ASP A 10 11.069 3.119 -3.349 1.00 0.00 C ATOM 139 O ASP A 10 11.647 2.206 -3.939 1.00 0.00 O ATOM 140 CB ASP A 10 11.909 4.372 -1.361 1.00 0.00 C ATOM 141 CG ASP A 10 13.344 4.635 -0.916 1.00 0.00 C ATOM 142 OD1 ASP A 10 13.815 5.740 -1.128 1.00 0.00 O ATOM 143 OD2 ASP A 10 13.950 3.729 -0.369 1.00 0.00 O ATOM 0 H ASP A 10 10.594 6.039 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 10 12.841 4.319 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.249 5.143 -0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.564 3.419 -0.960 1.00 0.00 H new ATOM 148 N ALA A 11 9.767 3.098 -3.083 1.00 0.00 N ATOM 149 CA ALA A 11 8.938 1.970 -3.484 1.00 0.00 C ATOM 150 C ALA A 11 9.258 1.562 -4.918 1.00 0.00 C ATOM 151 O ALA A 11 9.231 0.380 -5.259 1.00 0.00 O ATOM 152 CB ALA A 11 7.459 2.346 -3.376 1.00 0.00 C ATOM 0 H ALA A 11 9.268 3.842 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 11 9.147 1.130 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.845 1.497 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.226 2.614 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.251 3.194 -4.028 1.00 0.00 H new ATOM 158 N GLN A 12 9.567 2.551 -5.752 1.00 0.00 N ATOM 159 CA GLN A 12 9.896 2.286 -7.149 1.00 0.00 C ATOM 160 C GLN A 12 11.168 1.449 -7.249 1.00 0.00 C ATOM 161 O GLN A 12 11.271 0.558 -8.094 1.00 0.00 O ATOM 162 CB GLN A 12 10.094 3.607 -7.895 1.00 0.00 C ATOM 163 CG GLN A 12 10.636 3.328 -9.297 1.00 0.00 C ATOM 164 CD GLN A 12 12.098 3.753 -9.384 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.391 4.936 -9.560 1.00 0.00 O ATOM 166 NE2 GLN A 12 13.036 2.854 -9.271 1.00 0.00 N ATOM 0 H GLN A 12 9.596 3.536 -5.488 1.00 0.00 H new ATOM 0 HA GLN A 12 9.073 1.732 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.148 4.145 -7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.787 4.246 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.543 2.267 -9.528 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.047 3.868 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.789 1.875 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.016 3.130 -9.328 1.00 0.00 H new ATOM 175 N GLU A 13 12.132 1.743 -6.384 1.00 0.00 N ATOM 176 CA GLU A 13 13.396 1.013 -6.382 1.00 0.00 C ATOM 177 C GLU A 13 13.200 -0.409 -5.868 1.00 0.00 C ATOM 178 O GLU A 13 13.763 -1.359 -6.411 1.00 0.00 O ATOM 179 CB GLU A 13 14.413 1.738 -5.499 1.00 0.00 C ATOM 180 CG GLU A 13 14.378 3.237 -5.802 1.00 0.00 C ATOM 181 CD GLU A 13 15.548 3.934 -5.117 1.00 0.00 C ATOM 182 OE1 GLU A 13 15.559 3.968 -3.897 1.00 0.00 O ATOM 183 OE2 GLU A 13 16.417 4.421 -5.822 1.00 0.00 O ATOM 0 H GLU A 13 12.064 2.477 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 13 13.766 0.966 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.186 1.564 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.413 1.343 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.426 3.400 -6.879 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.437 3.664 -5.457 1.00 0.00 H new ATOM 190 N LEU A 14 12.398 -0.548 -4.816 1.00 0.00 N ATOM 191 CA LEU A 14 12.139 -1.861 -4.235 1.00 0.00 C ATOM 192 C LEU A 14 11.350 -2.732 -5.204 1.00 0.00 C ATOM 193 O LEU A 14 11.636 -3.919 -5.359 1.00 0.00 O ATOM 194 CB LEU A 14 11.353 -1.707 -2.936 1.00 0.00 C ATOM 195 CG LEU A 14 11.958 -0.577 -2.107 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.245 -0.509 -0.758 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.449 -0.849 -1.886 1.00 0.00 C ATOM 0 H LEU A 14 11.920 0.225 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 14 13.096 -2.341 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.307 -1.492 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.376 -2.639 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 14 11.838 0.370 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.672 0.296 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.183 -0.319 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.369 -1.456 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.882 -0.043 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.572 -1.794 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.956 -0.904 -2.850 1.00 0.00 H new ATOM 209 N ILE A 15 10.359 -2.136 -5.858 1.00 0.00 N ATOM 210 CA ILE A 15 9.544 -2.872 -6.814 1.00 0.00 C ATOM 211 C ILE A 15 10.444 -3.650 -7.763 1.00 0.00 C ATOM 212 O ILE A 15 10.037 -4.655 -8.343 1.00 0.00 O ATOM 213 CB ILE A 15 8.674 -1.901 -7.611 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.402 -1.592 -6.819 1.00 0.00 C ATOM 215 CG2 ILE A 15 8.298 -2.530 -8.954 1.00 0.00 C ATOM 216 CD1 ILE A 15 6.824 -0.253 -7.279 1.00 0.00 C ATOM 0 H ILE A 15 10.103 -1.155 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 15 8.901 -3.568 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 15 9.228 -0.979 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.669 -2.385 -6.965 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.625 -1.556 -5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.678 -1.835 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.204 -2.751 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.744 -3.453 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.918 -0.034 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.556 0.537 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.585 -0.305 -8.341 1.00 0.00 H new ATOM 228 N ALA A 16 11.673 -3.170 -7.908 1.00 0.00 N ATOM 229 CA ALA A 16 12.642 -3.821 -8.785 1.00 0.00 C ATOM 230 C ALA A 16 13.298 -4.999 -8.071 1.00 0.00 C ATOM 231 O ALA A 16 13.802 -5.922 -8.710 1.00 0.00 O ATOM 232 CB ALA A 16 13.715 -2.820 -9.216 1.00 0.00 C ATOM 0 H ALA A 16 12.022 -2.337 -7.433 1.00 0.00 H new ATOM 0 HA ALA A 16 12.118 -4.189 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.433 -3.315 -9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.247 -1.993 -9.751 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.230 -2.437 -8.335 1.00 0.00 H new ATOM 238 N ARG A 17 13.287 -4.958 -6.743 1.00 0.00 N ATOM 239 CA ARG A 17 13.883 -6.026 -5.950 1.00 0.00 C ATOM 240 C ARG A 17 12.877 -7.152 -5.723 1.00 0.00 C ATOM 241 O ARG A 17 13.228 -8.329 -5.781 1.00 0.00 O ATOM 242 CB ARG A 17 14.351 -5.477 -4.602 1.00 0.00 C ATOM 243 CG ARG A 17 15.679 -6.131 -4.218 1.00 0.00 C ATOM 244 CD ARG A 17 15.976 -5.855 -2.744 1.00 0.00 C ATOM 245 NE ARG A 17 15.683 -7.037 -1.942 1.00 0.00 N ATOM 246 CZ ARG A 17 16.369 -7.304 -0.836 1.00 0.00 C ATOM 247 NH1 ARG A 17 17.318 -6.499 -0.447 1.00 0.00 N ATOM 248 NH2 ARG A 17 16.092 -8.373 -0.138 1.00 0.00 N ATOM 0 H ARG A 17 12.875 -4.202 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 17 14.738 -6.424 -6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.470 -4.395 -4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.601 -5.675 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.632 -7.205 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.483 -5.740 -4.841 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.022 -5.574 -2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.378 -5.013 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 17 14.939 -7.670 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.534 -5.664 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.845 -6.704 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.349 -9.002 -0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.619 -8.578 0.711 1.00 0.00 H new ATOM 262 N GLY A 18 11.626 -6.781 -5.466 1.00 0.00 N ATOM 263 CA GLY A 18 10.580 -7.772 -5.235 1.00 0.00 C ATOM 264 C GLY A 18 9.508 -7.236 -4.291 1.00 0.00 C ATOM 265 O GLY A 18 8.451 -7.846 -4.129 1.00 0.00 O ATOM 0 H GLY A 18 11.314 -5.811 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.124 -8.051 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.019 -8.676 -4.814 1.00 0.00 H new ATOM 269 N ALA A 19 9.785 -6.094 -3.669 1.00 0.00 N ATOM 270 CA ALA A 19 8.833 -5.490 -2.742 1.00 0.00 C ATOM 271 C ALA A 19 7.400 -5.815 -3.155 1.00 0.00 C ATOM 272 O ALA A 19 7.100 -5.937 -4.343 1.00 0.00 O ATOM 273 CB ALA A 19 9.026 -3.972 -2.714 1.00 0.00 C ATOM 0 H ALA A 19 10.653 -5.572 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 19 9.013 -5.899 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.312 -3.527 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.040 -3.740 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.863 -3.566 -3.712 1.00 0.00 H new ATOM 279 N LYS A 20 6.520 -5.953 -2.169 1.00 0.00 N ATOM 280 CA LYS A 20 5.123 -6.265 -2.442 1.00 0.00 C ATOM 281 C LYS A 20 4.228 -5.083 -2.076 1.00 0.00 C ATOM 282 O LYS A 20 4.043 -4.775 -0.900 1.00 0.00 O ATOM 283 CB LYS A 20 4.693 -7.491 -1.629 1.00 0.00 C ATOM 284 CG LYS A 20 4.946 -8.778 -2.424 1.00 0.00 C ATOM 285 CD LYS A 20 4.001 -9.873 -1.924 1.00 0.00 C ATOM 286 CE LYS A 20 2.575 -9.564 -2.382 1.00 0.00 C ATOM 287 NZ LYS A 20 1.819 -10.838 -2.550 1.00 0.00 N ATOM 0 H LYS A 20 6.748 -5.854 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 20 5.021 -6.474 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.244 -7.523 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.635 -7.415 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.785 -8.600 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.983 -9.094 -2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.316 -10.843 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.040 -9.933 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.077 -8.927 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.595 -9.014 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.951 -10.658 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.409 -11.528 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.568 -11.219 -1.615 1.00 0.00 H new ATOM 301 N LEU A 21 3.669 -4.432 -3.091 1.00 0.00 N ATOM 302 CA LEU A 21 2.787 -3.292 -2.861 1.00 0.00 C ATOM 303 C LEU A 21 1.333 -3.752 -2.832 1.00 0.00 C ATOM 304 O LEU A 21 0.891 -4.495 -3.709 1.00 0.00 O ATOM 305 CB LEU A 21 2.976 -2.249 -3.964 1.00 0.00 C ATOM 306 CG LEU A 21 4.159 -1.344 -3.615 1.00 0.00 C ATOM 307 CD1 LEU A 21 4.865 -0.907 -4.900 1.00 0.00 C ATOM 308 CD2 LEU A 21 3.649 -0.108 -2.869 1.00 0.00 C ATOM 0 H LEU A 21 3.809 -4.671 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 21 3.039 -2.844 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.152 -2.743 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.070 -1.654 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 21 4.860 -1.889 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.708 -0.262 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.226 -1.786 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.165 -0.361 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.490 0.539 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.949 0.436 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.145 -0.418 -1.954 1.00 0.00 H new ATOM 320 N ILE A 22 0.593 -3.313 -1.819 1.00 0.00 N ATOM 321 CA ILE A 22 -0.807 -3.700 -1.693 1.00 0.00 C ATOM 322 C ILE A 22 -1.676 -2.499 -1.336 1.00 0.00 C ATOM 323 O ILE A 22 -1.278 -1.641 -0.550 1.00 0.00 O ATOM 324 CB ILE A 22 -0.957 -4.770 -0.612 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.165 -5.800 -0.757 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.311 -5.464 -0.766 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.167 -6.726 0.462 1.00 0.00 C ATOM 0 H ILE A 22 0.934 -2.696 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.135 -4.097 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.898 -4.305 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.024 -6.381 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.127 -5.296 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.418 -6.227 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.110 -4.730 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.371 -5.930 -1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.966 -7.460 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.328 -6.138 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.792 -7.240 0.530 1.00 0.00 H new ATOM 339 N ASP A 23 -2.873 -2.455 -1.913 1.00 0.00 N ATOM 340 CA ASP A 23 -3.801 -1.366 -1.642 1.00 0.00 C ATOM 341 C ASP A 23 -4.821 -1.800 -0.594 1.00 0.00 C ATOM 342 O ASP A 23 -5.320 -2.925 -0.632 1.00 0.00 O ATOM 343 CB ASP A 23 -4.521 -0.956 -2.929 1.00 0.00 C ATOM 344 CG ASP A 23 -5.106 0.443 -2.776 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.350 1.350 -2.469 1.00 0.00 O ATOM 346 OD2 ASP A 23 -6.303 0.588 -2.970 1.00 0.00 O ATOM 0 H ASP A 23 -3.220 -3.157 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.240 -0.512 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.825 -0.978 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.315 -1.668 -3.154 1.00 0.00 H new ATOM 351 N ILE A 24 -5.120 -0.909 0.344 1.00 0.00 N ATOM 352 CA ILE A 24 -6.077 -1.223 1.398 1.00 0.00 C ATOM 353 C ILE A 24 -6.990 -0.032 1.666 1.00 0.00 C ATOM 354 O ILE A 24 -6.751 0.759 2.579 1.00 0.00 O ATOM 355 CB ILE A 24 -5.333 -1.606 2.678 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.367 -0.483 3.066 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.543 -2.894 2.443 1.00 0.00 C ATOM 358 CD1 ILE A 24 -4.521 -0.166 4.554 1.00 0.00 C ATOM 0 H ILE A 24 -4.718 0.027 0.397 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.690 -2.063 1.072 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.053 -1.760 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.341 -0.782 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.571 0.407 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.013 -3.167 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.228 -3.696 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.824 -2.738 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.833 0.633 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.544 0.151 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.296 -1.056 5.141 1.00 0.00 H new ATOM 370 N ARG A 25 -8.038 0.086 0.863 1.00 0.00 N ATOM 371 CA ARG A 25 -8.988 1.181 1.011 1.00 0.00 C ATOM 372 C ARG A 25 -10.228 0.913 0.162 1.00 0.00 C ATOM 373 O ARG A 25 -10.603 -0.240 -0.050 1.00 0.00 O ATOM 374 CB ARG A 25 -8.331 2.497 0.586 1.00 0.00 C ATOM 375 CG ARG A 25 -8.519 3.547 1.685 1.00 0.00 C ATOM 376 CD ARG A 25 -10.002 3.896 1.815 1.00 0.00 C ATOM 377 NE ARG A 25 -10.253 4.559 3.090 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.323 5.328 3.266 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.164 5.509 2.285 1.00 0.00 N ATOM 380 NH2 ARG A 25 -11.529 5.907 4.417 1.00 0.00 N ATOM 0 H ARG A 25 -8.252 -0.561 0.104 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.288 1.256 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.269 2.340 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.771 2.850 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.140 3.166 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.944 4.442 1.448 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.304 4.546 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.604 2.990 1.743 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.596 4.430 3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.000 5.061 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.985 6.099 2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.869 5.770 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.350 6.497 4.551 1.00 0.00 H new ATOM 394 N ASP A 26 -10.862 1.974 -0.326 1.00 0.00 N ATOM 395 CA ASP A 26 -12.053 1.819 -1.151 1.00 0.00 C ATOM 396 C ASP A 26 -11.667 1.688 -2.620 1.00 0.00 C ATOM 397 O ASP A 26 -11.144 2.626 -3.219 1.00 0.00 O ATOM 398 CB ASP A 26 -12.976 3.025 -0.971 1.00 0.00 C ATOM 399 CG ASP A 26 -13.941 2.775 0.183 1.00 0.00 C ATOM 400 OD1 ASP A 26 -14.648 1.782 0.133 1.00 0.00 O ATOM 401 OD2 ASP A 26 -13.960 3.580 1.099 1.00 0.00 O ATOM 0 H ASP A 26 -10.575 2.940 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.575 0.915 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.385 3.920 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.534 3.207 -1.890 1.00 0.00 H new ATOM 406 N ALA A 27 -11.926 0.518 -3.195 1.00 0.00 N ATOM 407 CA ALA A 27 -11.597 0.282 -4.596 1.00 0.00 C ATOM 408 C ALA A 27 -11.989 1.489 -5.438 1.00 0.00 C ATOM 409 O ALA A 27 -11.229 1.926 -6.301 1.00 0.00 O ATOM 410 CB ALA A 27 -12.326 -0.959 -5.112 1.00 0.00 C ATOM 0 H ALA A 27 -12.358 -0.274 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.522 0.122 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.070 -1.122 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.026 -1.827 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.402 -0.813 -5.020 1.00 0.00 H new ATOM 416 N ASP A 28 -13.173 2.029 -5.175 1.00 0.00 N ATOM 417 CA ASP A 28 -13.645 3.192 -5.913 1.00 0.00 C ATOM 418 C ASP A 28 -12.506 4.188 -6.088 1.00 0.00 C ATOM 419 O ASP A 28 -12.527 5.027 -6.989 1.00 0.00 O ATOM 420 CB ASP A 28 -14.800 3.854 -5.158 1.00 0.00 C ATOM 421 CG ASP A 28 -15.496 4.873 -6.054 1.00 0.00 C ATOM 422 OD1 ASP A 28 -16.378 4.475 -6.797 1.00 0.00 O ATOM 423 OD2 ASP A 28 -15.138 6.037 -5.983 1.00 0.00 O ATOM 0 H ASP A 28 -13.817 1.684 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.997 2.873 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.513 3.097 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.424 4.344 -4.260 1.00 0.00 H new ATOM 428 N GLU A 29 -11.508 4.073 -5.220 1.00 0.00 N ATOM 429 CA GLU A 29 -10.345 4.948 -5.275 1.00 0.00 C ATOM 430 C GLU A 29 -9.309 4.372 -6.231 1.00 0.00 C ATOM 431 O GLU A 29 -8.655 5.100 -6.977 1.00 0.00 O ATOM 432 CB GLU A 29 -9.738 5.092 -3.876 1.00 0.00 C ATOM 433 CG GLU A 29 -10.843 5.427 -2.871 1.00 0.00 C ATOM 434 CD GLU A 29 -10.734 6.887 -2.446 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.445 7.711 -3.298 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.940 7.159 -1.275 1.00 0.00 O ATOM 0 H GLU A 29 -11.481 3.382 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.654 5.930 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.238 4.167 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.981 5.877 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.820 5.241 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.762 4.778 -1.999 1.00 0.00 H new ATOM 443 N TYR A 30 -9.177 3.052 -6.201 1.00 0.00 N ATOM 444 CA TYR A 30 -8.230 2.361 -7.064 1.00 0.00 C ATOM 445 C TYR A 30 -8.827 2.172 -8.455 1.00 0.00 C ATOM 446 O TYR A 30 -8.103 2.035 -9.441 1.00 0.00 O ATOM 447 CB TYR A 30 -7.880 1.000 -6.462 1.00 0.00 C ATOM 448 CG TYR A 30 -6.404 0.739 -6.637 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.467 1.619 -6.080 1.00 0.00 C ATOM 450 CD2 TYR A 30 -5.970 -0.383 -7.354 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.098 1.378 -6.242 1.00 0.00 C ATOM 452 CE2 TYR A 30 -4.601 -0.623 -7.516 1.00 0.00 C ATOM 453 CZ TYR A 30 -3.664 0.257 -6.960 1.00 0.00 C ATOM 454 OH TYR A 30 -2.314 0.021 -7.120 1.00 0.00 O ATOM 0 H TYR A 30 -9.714 2.439 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.324 2.962 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.141 0.980 -5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.459 0.215 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.801 2.483 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.692 -1.063 -7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.376 2.057 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.267 -1.488 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.803 0.728 -6.674 1.00 0.00 H new ATOM 464 N LEU A 31 -10.155 2.170 -8.521 1.00 0.00 N ATOM 465 CA LEU A 31 -10.853 2.000 -9.787 1.00 0.00 C ATOM 466 C LEU A 31 -10.530 3.156 -10.728 1.00 0.00 C ATOM 467 O LEU A 31 -10.250 2.950 -11.908 1.00 0.00 O ATOM 468 CB LEU A 31 -12.360 1.947 -9.535 1.00 0.00 C ATOM 469 CG LEU A 31 -12.989 0.837 -10.379 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.520 0.968 -11.828 1.00 0.00 C ATOM 471 CD2 LEU A 31 -12.566 -0.528 -9.828 1.00 0.00 C ATOM 0 H LEU A 31 -10.767 2.284 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.527 1.069 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.555 1.767 -8.478 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.813 2.907 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.075 0.924 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.969 0.177 -12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.822 1.938 -12.222 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.434 0.883 -11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.015 -1.318 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.480 -0.615 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.902 -0.623 -8.795 1.00 0.00 H new ATOM 483 N ARG A 32 -10.567 4.373 -10.192 1.00 0.00 N ATOM 484 CA ARG A 32 -10.272 5.557 -10.991 1.00 0.00 C ATOM 485 C ARG A 32 -8.795 5.585 -11.367 1.00 0.00 C ATOM 486 O ARG A 32 -8.401 6.234 -12.336 1.00 0.00 O ATOM 487 CB ARG A 32 -10.626 6.821 -10.205 1.00 0.00 C ATOM 488 CG ARG A 32 -12.141 6.889 -10.004 1.00 0.00 C ATOM 489 CD ARG A 32 -12.540 8.310 -9.605 1.00 0.00 C ATOM 490 NE ARG A 32 -13.656 8.274 -8.668 1.00 0.00 N ATOM 491 CZ ARG A 32 -14.613 9.196 -8.700 1.00 0.00 C ATOM 492 NH1 ARG A 32 -14.562 10.162 -9.577 1.00 0.00 N ATOM 493 NH2 ARG A 32 -15.605 9.136 -7.854 1.00 0.00 N ATOM 0 H ARG A 32 -10.796 4.564 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.870 5.520 -11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.120 6.815 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.280 7.705 -10.741 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.653 6.600 -10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.448 6.183 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.691 8.820 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.818 8.880 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.703 7.527 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.787 10.210 -10.239 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.297 10.869 -9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.646 8.382 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.339 9.843 -7.878 1.00 0.00 H new ATOM 507 N GLU A 33 -7.983 4.873 -10.592 1.00 0.00 N ATOM 508 CA GLU A 33 -6.550 4.818 -10.851 1.00 0.00 C ATOM 509 C GLU A 33 -5.916 3.668 -10.081 1.00 0.00 C ATOM 510 O GLU A 33 -6.079 3.558 -8.866 1.00 0.00 O ATOM 511 CB GLU A 33 -5.893 6.135 -10.438 1.00 0.00 C ATOM 512 CG GLU A 33 -4.871 6.545 -11.497 1.00 0.00 C ATOM 513 CD GLU A 33 -4.082 7.759 -11.020 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.738 7.794 -9.850 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.833 8.634 -11.831 1.00 0.00 O ATOM 0 H GLU A 33 -8.291 4.330 -9.785 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.397 4.657 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.649 6.912 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.405 6.023 -9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.192 5.716 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.379 6.776 -12.433 1.00 0.00 H new ATOM 522 N HIS A 34 -5.194 2.808 -10.792 1.00 0.00 N ATOM 523 CA HIS A 34 -4.547 1.671 -10.153 1.00 0.00 C ATOM 524 C HIS A 34 -3.155 1.455 -10.735 1.00 0.00 C ATOM 525 O HIS A 34 -2.849 1.930 -11.829 1.00 0.00 O ATOM 526 CB HIS A 34 -5.396 0.414 -10.350 1.00 0.00 C ATOM 527 CG HIS A 34 -5.931 0.389 -11.755 1.00 0.00 C ATOM 528 ND1 HIS A 34 -5.578 -0.596 -12.663 1.00 0.00 N ATOM 529 CD2 HIS A 34 -6.794 1.222 -12.423 1.00 0.00 C ATOM 530 CE1 HIS A 34 -6.220 -0.334 -13.816 1.00 0.00 C ATOM 531 NE2 HIS A 34 -6.976 0.764 -13.724 1.00 0.00 N ATOM 0 H HIS A 34 -5.044 2.876 -11.799 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.450 1.876 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.797 -0.477 -10.161 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.219 0.402 -9.635 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.946 -1.378 -12.489 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.261 2.100 -12.002 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.135 -0.938 -14.707 1.00 0.00 H new ATOM 539 N ILE A 35 -2.311 0.743 -9.996 1.00 0.00 N ATOM 540 CA ILE A 35 -0.951 0.481 -10.454 1.00 0.00 C ATOM 541 C ILE A 35 -0.810 -0.967 -10.927 1.00 0.00 C ATOM 542 O ILE A 35 -1.204 -1.895 -10.220 1.00 0.00 O ATOM 543 CB ILE A 35 0.040 0.745 -9.318 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.141 2.176 -8.808 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.469 0.566 -9.832 1.00 0.00 C ATOM 546 CD1 ILE A 35 1.044 2.553 -7.915 1.00 0.00 C ATOM 0 H ILE A 35 -2.541 0.341 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.735 1.146 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.144 0.041 -8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.211 2.867 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.073 2.259 -8.248 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.173 0.754 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.600 -0.453 -10.197 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.654 1.269 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.916 3.572 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.093 1.869 -7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.968 2.486 -8.489 1.00 0.00 H new ATOM 558 N PRO A 36 -0.256 -1.180 -12.096 1.00 0.00 N ATOM 559 CA PRO A 36 -0.063 -2.549 -12.655 1.00 0.00 C ATOM 560 C PRO A 36 1.120 -3.262 -12.014 1.00 0.00 C ATOM 561 O PRO A 36 1.701 -4.179 -12.593 1.00 0.00 O ATOM 562 CB PRO A 36 0.191 -2.293 -14.136 1.00 0.00 C ATOM 563 CG PRO A 36 0.815 -0.939 -14.195 1.00 0.00 C ATOM 564 CD PRO A 36 0.245 -0.145 -13.017 1.00 0.00 C ATOM 0 HA PRO A 36 -0.919 -3.198 -12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.851 -3.050 -14.559 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.737 -2.324 -14.706 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.901 -1.009 -14.126 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.586 -0.448 -15.141 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.009 0.472 -12.545 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.553 0.525 -13.337 1.00 0.00 H new ATOM 572 N GLU A 37 1.467 -2.824 -10.815 1.00 0.00 N ATOM 573 CA GLU A 37 2.584 -3.414 -10.084 1.00 0.00 C ATOM 574 C GLU A 37 2.265 -3.504 -8.596 1.00 0.00 C ATOM 575 O GLU A 37 3.148 -3.356 -7.751 1.00 0.00 O ATOM 576 CB GLU A 37 3.844 -2.572 -10.288 1.00 0.00 C ATOM 577 CG GLU A 37 4.462 -2.899 -11.648 1.00 0.00 C ATOM 578 CD GLU A 37 5.080 -4.292 -11.616 1.00 0.00 C ATOM 579 OE1 GLU A 37 5.786 -4.583 -10.665 1.00 0.00 O ATOM 580 OE2 GLU A 37 4.838 -5.047 -12.543 1.00 0.00 O ATOM 0 H GLU A 37 0.995 -2.064 -10.325 1.00 0.00 H new ATOM 0 HA GLU A 37 2.753 -4.420 -10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.598 -1.511 -10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.562 -2.774 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.700 -2.848 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.223 -2.160 -11.899 1.00 0.00 H new ATOM 587 N ALA A 38 0.998 -3.750 -8.284 1.00 0.00 N ATOM 588 CA ALA A 38 0.570 -3.860 -6.894 1.00 0.00 C ATOM 589 C ALA A 38 -0.743 -4.630 -6.798 1.00 0.00 C ATOM 590 O ALA A 38 -1.539 -4.637 -7.736 1.00 0.00 O ATOM 591 CB ALA A 38 0.393 -2.466 -6.288 1.00 0.00 C ATOM 0 H ALA A 38 0.253 -3.876 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 38 1.337 -4.401 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.073 -2.558 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.340 -1.928 -6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.361 -1.917 -6.852 1.00 0.00 H new ATOM 597 N ASP A 39 -0.959 -5.278 -5.659 1.00 0.00 N ATOM 598 CA ASP A 39 -2.180 -6.049 -5.451 1.00 0.00 C ATOM 599 C ASP A 39 -3.267 -5.179 -4.830 1.00 0.00 C ATOM 600 O ASP A 39 -2.976 -4.181 -4.169 1.00 0.00 O ATOM 601 CB ASP A 39 -1.893 -7.242 -4.536 1.00 0.00 C ATOM 602 CG ASP A 39 -3.187 -7.727 -3.891 1.00 0.00 C ATOM 603 OD1 ASP A 39 -4.186 -7.793 -4.589 1.00 0.00 O ATOM 604 OD2 ASP A 39 -3.161 -8.026 -2.709 1.00 0.00 O ATOM 0 H ASP A 39 -0.311 -5.286 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.529 -6.408 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.438 -8.050 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.178 -6.956 -3.765 1.00 0.00 H new ATOM 609 N LEU A 40 -4.521 -5.565 -5.045 1.00 0.00 N ATOM 610 CA LEU A 40 -5.646 -4.815 -4.500 1.00 0.00 C ATOM 611 C LEU A 40 -6.334 -5.610 -3.395 1.00 0.00 C ATOM 612 O LEU A 40 -6.838 -6.709 -3.630 1.00 0.00 O ATOM 613 CB LEU A 40 -6.653 -4.506 -5.611 1.00 0.00 C ATOM 614 CG LEU A 40 -7.796 -3.658 -5.047 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.524 -2.179 -5.325 1.00 0.00 C ATOM 616 CD2 LEU A 40 -9.110 -4.068 -5.714 1.00 0.00 C ATOM 0 H LEU A 40 -4.782 -6.387 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.269 -3.882 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.160 -3.975 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.046 -5.433 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.867 -3.816 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.339 -1.577 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.588 -1.886 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.451 -2.018 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.925 -3.465 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.037 -3.910 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.306 -5.121 -5.514 1.00 0.00 H new ATOM 628 N ALA A 41 -6.355 -5.048 -2.190 1.00 0.00 N ATOM 629 CA ALA A 41 -6.987 -5.717 -1.060 1.00 0.00 C ATOM 630 C ALA A 41 -7.606 -4.692 -0.117 1.00 0.00 C ATOM 631 O ALA A 41 -6.962 -4.236 0.827 1.00 0.00 O ATOM 632 CB ALA A 41 -5.954 -6.556 -0.305 1.00 0.00 C ATOM 0 H ALA A 41 -5.945 -4.139 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.774 -6.370 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.435 -7.053 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.533 -7.305 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.157 -5.909 0.061 1.00 0.00 H new ATOM 638 N PRO A 42 -8.835 -4.321 -0.361 1.00 0.00 N ATOM 639 CA PRO A 42 -9.556 -3.319 0.475 1.00 0.00 C ATOM 640 C PRO A 42 -9.324 -3.524 1.973 1.00 0.00 C ATOM 641 O PRO A 42 -9.527 -4.615 2.503 1.00 0.00 O ATOM 642 CB PRO A 42 -11.021 -3.539 0.102 1.00 0.00 C ATOM 643 CG PRO A 42 -10.992 -4.051 -1.301 1.00 0.00 C ATOM 644 CD PRO A 42 -9.678 -4.816 -1.465 1.00 0.00 C ATOM 0 HA PRO A 42 -9.210 -2.302 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.496 -4.255 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.589 -2.611 0.172 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.845 -4.702 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.052 -3.229 -2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.832 -5.893 -1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.221 -4.620 -2.435 1.00 0.00 H new ATOM 652 N LEU A 43 -8.896 -2.462 2.642 1.00 0.00 N ATOM 653 CA LEU A 43 -8.634 -2.517 4.076 1.00 0.00 C ATOM 654 C LEU A 43 -9.728 -3.307 4.796 1.00 0.00 C ATOM 655 O LEU A 43 -9.504 -3.852 5.876 1.00 0.00 O ATOM 656 CB LEU A 43 -8.537 -1.078 4.625 1.00 0.00 C ATOM 657 CG LEU A 43 -9.365 -0.910 5.906 1.00 0.00 C ATOM 658 CD1 LEU A 43 -8.764 -1.767 7.023 1.00 0.00 C ATOM 659 CD2 LEU A 43 -9.339 0.560 6.330 1.00 0.00 C ATOM 0 H LEU A 43 -8.723 -1.552 2.216 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.690 -3.032 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.494 -0.835 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.886 -0.374 3.869 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.392 -1.225 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.354 -1.646 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.772 -2.815 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.738 -1.451 7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.926 0.687 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.310 0.867 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.763 1.175 5.536 1.00 0.00 H new ATOM 671 N SER A 44 -10.912 -3.358 4.198 1.00 0.00 N ATOM 672 CA SER A 44 -12.033 -4.071 4.801 1.00 0.00 C ATOM 673 C SER A 44 -11.923 -5.578 4.576 1.00 0.00 C ATOM 674 O SER A 44 -12.435 -6.366 5.370 1.00 0.00 O ATOM 675 CB SER A 44 -13.348 -3.564 4.212 1.00 0.00 C ATOM 676 OG SER A 44 -14.419 -3.921 5.077 1.00 0.00 O ATOM 0 H SER A 44 -11.121 -2.918 3.302 1.00 0.00 H new ATOM 0 HA SER A 44 -12.010 -3.883 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.311 -2.482 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.506 -3.993 3.223 1.00 0.00 H new ATOM 0 HG SER A 44 -15.264 -3.596 4.703 1.00 0.00 H new ATOM 682 N VAL A 45 -11.264 -5.973 3.493 1.00 0.00 N ATOM 683 CA VAL A 45 -11.117 -7.394 3.187 1.00 0.00 C ATOM 684 C VAL A 45 -9.925 -7.996 3.925 1.00 0.00 C ATOM 685 O VAL A 45 -9.911 -9.192 4.220 1.00 0.00 O ATOM 686 CB VAL A 45 -10.945 -7.595 1.680 1.00 0.00 C ATOM 687 CG1 VAL A 45 -12.175 -7.056 0.951 1.00 0.00 C ATOM 688 CG2 VAL A 45 -9.701 -6.849 1.196 1.00 0.00 C ATOM 0 H VAL A 45 -10.828 -5.342 2.820 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.021 -7.903 3.520 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.831 -8.659 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.053 -7.199 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.062 -7.591 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.288 -5.993 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.584 -6.996 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.810 -5.785 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.822 -7.234 1.713 1.00 0.00 H new ATOM 698 N LEU A 46 -8.927 -7.173 4.218 1.00 0.00 N ATOM 699 CA LEU A 46 -7.740 -7.656 4.917 1.00 0.00 C ATOM 700 C LEU A 46 -8.067 -7.987 6.370 1.00 0.00 C ATOM 701 O LEU A 46 -7.634 -9.014 6.893 1.00 0.00 O ATOM 702 CB LEU A 46 -6.634 -6.601 4.868 1.00 0.00 C ATOM 703 CG LEU A 46 -5.273 -7.288 5.005 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.920 -7.991 3.694 1.00 0.00 C ATOM 705 CD2 LEU A 46 -4.203 -6.243 5.325 1.00 0.00 C ATOM 0 H LEU A 46 -8.913 -6.180 3.987 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.397 -8.563 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.683 -6.050 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.771 -5.876 5.671 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.318 -8.022 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.951 -8.480 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.681 -8.737 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.876 -7.258 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.234 -6.733 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.159 -5.509 4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.452 -5.742 6.260 1.00 0.00 H new ATOM 717 N GLU A 47 -8.830 -7.113 7.015 1.00 0.00 N ATOM 718 CA GLU A 47 -9.205 -7.327 8.408 1.00 0.00 C ATOM 719 C GLU A 47 -10.331 -8.352 8.511 1.00 0.00 C ATOM 720 O GLU A 47 -10.413 -9.101 9.484 1.00 0.00 O ATOM 721 CB GLU A 47 -9.652 -6.006 9.035 1.00 0.00 C ATOM 722 CG GLU A 47 -9.134 -5.922 10.472 1.00 0.00 C ATOM 723 CD GLU A 47 -10.091 -5.095 11.325 1.00 0.00 C ATOM 724 OE1 GLU A 47 -9.923 -3.887 11.368 1.00 0.00 O ATOM 725 OE2 GLU A 47 -10.977 -5.682 11.924 1.00 0.00 O ATOM 0 H GLU A 47 -9.199 -6.257 6.601 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.336 -7.708 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.273 -5.167 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.740 -5.936 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.034 -6.924 10.890 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.142 -5.471 10.484 1.00 0.00 H new ATOM 732 N GLN A 48 -11.197 -8.376 7.504 1.00 0.00 N ATOM 733 CA GLN A 48 -12.314 -9.314 7.496 1.00 0.00 C ATOM 734 C GLN A 48 -11.897 -10.643 6.876 1.00 0.00 C ATOM 735 O GLN A 48 -12.228 -11.710 7.393 1.00 0.00 O ATOM 736 CB GLN A 48 -13.485 -8.723 6.708 1.00 0.00 C ATOM 737 CG GLN A 48 -14.024 -7.492 7.440 1.00 0.00 C ATOM 738 CD GLN A 48 -14.733 -7.914 8.723 1.00 0.00 C ATOM 739 OE1 GLN A 48 -14.494 -7.336 9.784 1.00 0.00 O ATOM 740 NE2 GLN A 48 -15.597 -8.892 8.691 1.00 0.00 N ATOM 0 H GLN A 48 -11.149 -7.763 6.690 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.622 -9.491 8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.160 -8.449 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.274 -9.467 6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.206 -6.811 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.715 -6.949 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.794 -9.370 7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.075 -9.178 9.545 1.00 0.00 H new ATOM 749 N SER A 49 -11.166 -10.574 5.767 1.00 0.00 N ATOM 750 CA SER A 49 -10.710 -11.783 5.091 1.00 0.00 C ATOM 751 C SER A 49 -9.397 -12.269 5.691 1.00 0.00 C ATOM 752 O SER A 49 -9.363 -13.273 6.403 1.00 0.00 O ATOM 753 CB SER A 49 -10.523 -11.513 3.598 1.00 0.00 C ATOM 754 OG SER A 49 -10.810 -12.698 2.867 1.00 0.00 O ATOM 0 H SER A 49 -10.879 -9.702 5.321 1.00 0.00 H new ATOM 0 HA SER A 49 -11.466 -12.556 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.181 -10.706 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.501 -11.189 3.400 1.00 0.00 H new ATOM 0 HG SER A 49 -10.693 -12.528 1.909 1.00 0.00 H new ATOM 760 N GLY A 50 -8.320 -11.551 5.400 1.00 0.00 N ATOM 761 CA GLY A 50 -7.010 -11.919 5.917 1.00 0.00 C ATOM 762 C GLY A 50 -6.093 -12.385 4.792 1.00 0.00 C ATOM 763 O GLY A 50 -6.083 -13.563 4.434 1.00 0.00 O ATOM 0 H GLY A 50 -8.328 -10.717 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.563 -11.065 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.116 -12.712 6.657 1.00 0.00 H new ATOM 767 N LEU A 51 -5.326 -11.452 4.239 1.00 0.00 N ATOM 768 CA LEU A 51 -4.405 -11.775 3.153 1.00 0.00 C ATOM 769 C LEU A 51 -2.966 -11.484 3.570 1.00 0.00 C ATOM 770 O LEU A 51 -2.425 -10.420 3.271 1.00 0.00 O ATOM 771 CB LEU A 51 -4.752 -10.954 1.910 1.00 0.00 C ATOM 772 CG LEU A 51 -4.158 -11.629 0.672 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.967 -12.881 0.329 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.202 -10.655 -0.509 1.00 0.00 C ATOM 0 H LEU A 51 -5.322 -10.472 4.522 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.500 -12.836 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.834 -10.869 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.361 -9.942 2.009 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.125 -11.911 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.541 -13.359 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.936 -13.575 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.001 -12.602 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.779 -11.134 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.236 -10.373 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.623 -9.764 -0.267 1.00 0.00 H new ATOM 786 N PRO A 52 -2.347 -12.409 4.255 1.00 0.00 N ATOM 787 CA PRO A 52 -0.942 -12.260 4.731 1.00 0.00 C ATOM 788 C PRO A 52 0.062 -12.276 3.580 1.00 0.00 C ATOM 789 O PRO A 52 0.919 -13.155 3.507 1.00 0.00 O ATOM 790 CB PRO A 52 -0.723 -13.465 5.662 1.00 0.00 C ATOM 791 CG PRO A 52 -2.066 -14.099 5.854 1.00 0.00 C ATOM 792 CD PRO A 52 -2.915 -13.698 4.654 1.00 0.00 C ATOM 0 HA PRO A 52 -0.789 -11.304 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.019 -14.172 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.303 -13.147 6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.976 -15.183 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.525 -13.760 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.849 -14.432 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.969 -13.609 4.919 1.00 0.00 H new ATOM 800 N ALA A 53 -0.045 -11.298 2.684 1.00 0.00 N ATOM 801 CA ALA A 53 0.869 -11.222 1.550 1.00 0.00 C ATOM 802 C ALA A 53 2.281 -11.587 1.994 1.00 0.00 C ATOM 803 O ALA A 53 3.088 -12.079 1.205 1.00 0.00 O ATOM 804 CB ALA A 53 0.866 -9.810 0.962 1.00 0.00 C ATOM 0 H ALA A 53 -0.745 -10.557 2.720 1.00 0.00 H new ATOM 0 HA ALA A 53 0.537 -11.926 0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.552 -9.767 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.140 -9.558 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.183 -9.098 1.724 1.00 0.00 H new ATOM 810 N LYS A 54 2.566 -11.343 3.268 1.00 0.00 N ATOM 811 CA LYS A 54 3.873 -11.648 3.830 1.00 0.00 C ATOM 812 C LYS A 54 4.267 -13.090 3.515 1.00 0.00 C ATOM 813 O LYS A 54 5.437 -13.460 3.604 1.00 0.00 O ATOM 814 CB LYS A 54 3.828 -11.422 5.350 1.00 0.00 C ATOM 815 CG LYS A 54 4.519 -12.574 6.091 1.00 0.00 C ATOM 816 CD LYS A 54 4.482 -12.310 7.597 1.00 0.00 C ATOM 817 CE LYS A 54 5.110 -13.494 8.335 1.00 0.00 C ATOM 818 NZ LYS A 54 4.060 -14.203 9.119 1.00 0.00 N ATOM 0 H LYS A 54 1.907 -10.934 3.931 1.00 0.00 H new ATOM 0 HA LYS A 54 4.622 -10.991 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.317 -10.479 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.792 -11.340 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.021 -13.517 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.551 -12.670 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.023 -11.393 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.453 -12.166 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.571 -14.178 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.901 -13.145 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.486 -15.008 9.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.640 -13.548 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.320 -14.549 8.475 1.00 0.00 H new ATOM 832 N LEU A 55 3.276 -13.899 3.161 1.00 0.00 N ATOM 833 CA LEU A 55 3.520 -15.302 2.849 1.00 0.00 C ATOM 834 C LEU A 55 3.981 -15.468 1.406 1.00 0.00 C ATOM 835 O LEU A 55 4.471 -16.529 1.020 1.00 0.00 O ATOM 836 CB LEU A 55 2.237 -16.104 3.067 1.00 0.00 C ATOM 837 CG LEU A 55 2.556 -17.393 3.824 1.00 0.00 C ATOM 838 CD1 LEU A 55 2.509 -17.128 5.330 1.00 0.00 C ATOM 839 CD2 LEU A 55 1.521 -18.456 3.461 1.00 0.00 C ATOM 0 H LEU A 55 2.301 -13.610 3.083 1.00 0.00 H new ATOM 0 HA LEU A 55 4.306 -15.669 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.517 -15.510 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.776 -16.339 2.107 1.00 0.00 H new ATOM 0 HG LEU A 55 3.552 -17.741 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.737 -18.048 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.243 -16.365 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.513 -16.782 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.743 -19.378 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.527 -18.105 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.554 -18.644 2.388 1.00 0.00 H new ATOM 851 N ARG A 56 3.821 -14.417 0.612 1.00 0.00 N ATOM 852 CA ARG A 56 4.226 -14.467 -0.786 1.00 0.00 C ATOM 853 C ARG A 56 5.456 -13.602 -1.020 1.00 0.00 C ATOM 854 O ARG A 56 5.763 -13.235 -2.155 1.00 0.00 O ATOM 855 CB ARG A 56 3.082 -13.989 -1.683 1.00 0.00 C ATOM 856 CG ARG A 56 1.928 -14.993 -1.621 1.00 0.00 C ATOM 857 CD ARG A 56 0.930 -14.694 -2.741 1.00 0.00 C ATOM 858 NE ARG A 56 1.017 -15.713 -3.780 1.00 0.00 N ATOM 859 CZ ARG A 56 0.474 -16.915 -3.612 1.00 0.00 C ATOM 860 NH1 ARG A 56 -0.152 -17.199 -2.503 1.00 0.00 N ATOM 861 NH2 ARG A 56 0.566 -17.811 -4.557 1.00 0.00 N ATOM 0 H ARG A 56 3.418 -13.528 0.908 1.00 0.00 H new ATOM 0 HA ARG A 56 4.471 -15.500 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.740 -13.006 -1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.431 -13.884 -2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.310 -16.009 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.432 -14.934 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.082 -14.662 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.134 -13.712 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 56 1.503 -15.500 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.225 -16.499 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.569 -18.121 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.055 -17.589 -5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.149 -18.733 -4.428 1.00 0.00 H new ATOM 875 N HIS A 57 6.157 -13.280 0.059 1.00 0.00 N ATOM 876 CA HIS A 57 7.357 -12.457 -0.047 1.00 0.00 C ATOM 877 C HIS A 57 7.991 -12.235 1.322 1.00 0.00 C ATOM 878 O HIS A 57 7.614 -12.870 2.307 1.00 0.00 O ATOM 879 CB HIS A 57 7.004 -11.103 -0.670 1.00 0.00 C ATOM 880 CG HIS A 57 7.535 -11.039 -2.077 1.00 0.00 C ATOM 881 ND1 HIS A 57 6.726 -11.250 -3.182 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.790 -10.790 -2.572 1.00 0.00 C ATOM 883 CE1 HIS A 57 7.497 -11.124 -4.277 1.00 0.00 C ATOM 884 NE2 HIS A 57 8.764 -10.844 -3.962 1.00 0.00 N ATOM 0 H HIS A 57 5.920 -13.571 1.007 1.00 0.00 H new ATOM 0 HA HIS A 57 8.073 -12.980 -0.681 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.923 -10.963 -0.672 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.429 -10.295 -0.074 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.665 -10.583 -1.974 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.135 -11.236 -5.288 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.545 -10.701 -4.603 1.00 0.00 H new ATOM 892 N GLU A 58 8.957 -11.322 1.370 1.00 0.00 N ATOM 893 CA GLU A 58 9.646 -11.006 2.614 1.00 0.00 C ATOM 894 C GLU A 58 9.430 -9.540 2.969 1.00 0.00 C ATOM 895 O GLU A 58 9.390 -9.170 4.142 1.00 0.00 O ATOM 896 CB GLU A 58 11.142 -11.288 2.467 1.00 0.00 C ATOM 897 CG GLU A 58 11.829 -11.117 3.821 1.00 0.00 C ATOM 898 CD GLU A 58 12.815 -12.258 4.055 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.327 -12.782 3.078 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.045 -12.590 5.206 1.00 0.00 O ATOM 0 H GLU A 58 9.279 -10.789 0.562 1.00 0.00 H new ATOM 0 HA GLU A 58 9.242 -11.630 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.297 -12.300 2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.581 -10.609 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.352 -10.161 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.084 -11.101 4.616 1.00 0.00 H new ATOM 907 N GLN A 59 9.276 -8.713 1.939 1.00 0.00 N ATOM 908 CA GLN A 59 9.046 -7.288 2.139 1.00 0.00 C ATOM 909 C GLN A 59 7.632 -6.932 1.699 1.00 0.00 C ATOM 910 O GLN A 59 7.182 -7.355 0.634 1.00 0.00 O ATOM 911 CB GLN A 59 10.059 -6.471 1.333 1.00 0.00 C ATOM 912 CG GLN A 59 11.222 -6.058 2.238 1.00 0.00 C ATOM 913 CD GLN A 59 12.085 -7.271 2.565 1.00 0.00 C ATOM 914 OE1 GLN A 59 11.564 -8.330 2.911 1.00 0.00 O ATOM 915 NE2 GLN A 59 13.383 -7.179 2.475 1.00 0.00 N ATOM 0 H GLN A 59 9.306 -9.004 0.962 1.00 0.00 H new ATOM 0 HA GLN A 59 9.167 -7.054 3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.430 -7.059 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.578 -5.586 0.915 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.824 -5.295 1.744 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.839 -5.616 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.813 -6.300 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.968 -7.986 2.692 1.00 0.00 H new ATOM 924 N ILE A 60 6.930 -6.167 2.525 1.00 0.00 N ATOM 925 CA ILE A 60 5.561 -5.783 2.207 1.00 0.00 C ATOM 926 C ILE A 60 5.380 -4.270 2.295 1.00 0.00 C ATOM 927 O ILE A 60 5.992 -3.607 3.132 1.00 0.00 O ATOM 928 CB ILE A 60 4.597 -6.477 3.171 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.209 -7.803 3.633 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.273 -6.755 2.458 1.00 0.00 C ATOM 931 CD1 ILE A 60 6.335 -7.532 4.633 1.00 0.00 C ATOM 0 H ILE A 60 7.281 -5.803 3.411 1.00 0.00 H new ATOM 0 HA ILE A 60 5.346 -6.092 1.184 1.00 0.00 H new ATOM 0 HB ILE A 60 4.419 -5.833 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.443 -8.427 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.596 -8.354 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.586 -7.249 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.836 -5.815 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.452 -7.399 1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.768 -8.478 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.106 -6.925 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.935 -6.999 5.496 1.00 0.00 H new ATOM 943 N ILE A 61 4.531 -3.734 1.422 1.00 0.00 N ATOM 944 CA ILE A 61 4.266 -2.300 1.404 1.00 0.00 C ATOM 945 C ILE A 61 2.774 -2.037 1.221 1.00 0.00 C ATOM 946 O ILE A 61 2.117 -2.682 0.402 1.00 0.00 O ATOM 947 CB ILE A 61 5.043 -1.636 0.265 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.455 -2.222 0.199 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.131 -0.130 0.517 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.241 -1.534 -0.918 1.00 0.00 C ATOM 0 H ILE A 61 4.018 -4.269 0.721 1.00 0.00 H new ATOM 0 HA ILE A 61 4.588 -1.879 2.356 1.00 0.00 H new ATOM 0 HB ILE A 61 4.528 -1.819 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.963 -2.084 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.407 -3.295 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.684 0.343 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.126 0.290 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.645 0.052 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.247 -1.951 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.736 -1.695 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.301 -0.465 -0.715 1.00 0.00 H new ATOM 962 N PHE A 62 2.243 -1.092 1.987 1.00 0.00 N ATOM 963 CA PHE A 62 0.827 -0.758 1.900 1.00 0.00 C ATOM 964 C PHE A 62 0.640 0.704 1.502 1.00 0.00 C ATOM 965 O PHE A 62 1.274 1.596 2.068 1.00 0.00 O ATOM 966 CB PHE A 62 0.148 -1.018 3.246 1.00 0.00 C ATOM 967 CG PHE A 62 0.100 -2.506 3.504 1.00 0.00 C ATOM 968 CD1 PHE A 62 1.239 -3.170 3.976 1.00 0.00 C ATOM 969 CD2 PHE A 62 -1.080 -3.220 3.269 1.00 0.00 C ATOM 970 CE1 PHE A 62 1.197 -4.549 4.213 1.00 0.00 C ATOM 971 CE2 PHE A 62 -1.122 -4.599 3.507 1.00 0.00 C ATOM 972 CZ PHE A 62 0.017 -5.263 3.979 1.00 0.00 C ATOM 0 H PHE A 62 2.767 -0.547 2.671 1.00 0.00 H new ATOM 0 HA PHE A 62 0.371 -1.387 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.695 -0.517 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.861 -0.605 3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.150 -2.618 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.958 -2.708 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.075 -5.062 4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.033 -5.151 3.327 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.016 -6.327 4.162 1.00 0.00 H new ATOM 982 N HIS A 63 -0.230 0.942 0.525 1.00 0.00 N ATOM 983 CA HIS A 63 -0.490 2.300 0.060 1.00 0.00 C ATOM 984 C HIS A 63 -1.989 2.585 0.038 1.00 0.00 C ATOM 985 O HIS A 63 -2.779 1.772 -0.442 1.00 0.00 O ATOM 986 CB HIS A 63 0.090 2.488 -1.344 1.00 0.00 C ATOM 987 CG HIS A 63 -0.204 1.270 -2.176 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.887 1.347 -3.380 1.00 0.00 N ATOM 989 CD2 HIS A 63 0.085 -0.059 -1.994 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.985 0.098 -3.871 1.00 0.00 C ATOM 991 NE2 HIS A 63 -0.409 -0.798 -3.065 1.00 0.00 N ATOM 0 H HIS A 63 -0.763 0.218 0.043 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.013 2.998 0.748 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.341 3.373 -1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.166 2.650 -1.286 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.249 2.196 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.616 -0.470 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.470 -0.150 -4.803 1.00 0.00 H new ATOM 999 N CYS A 64 -2.373 3.747 0.560 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.780 4.132 0.597 1.00 0.00 C ATOM 1001 C CYS A 64 -4.023 5.374 -0.255 1.00 0.00 C ATOM 1002 O CYS A 64 -3.121 6.188 -0.455 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.208 4.414 2.037 1.00 0.00 C ATOM 1004 SG CYS A 64 -5.665 5.488 2.035 1.00 0.00 S ATOM 0 H CYS A 64 -1.734 4.434 0.961 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.369 3.308 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.433 3.479 2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.393 4.890 2.583 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.665 6.222 3.108 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.247 5.513 -0.752 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.601 6.662 -1.577 1.00 0.00 C ATOM 1012 C GLN A 65 -4.852 7.905 -1.110 1.00 0.00 C ATOM 1013 O GLN A 65 -4.442 8.736 -1.920 1.00 0.00 O ATOM 1014 CB GLN A 65 -7.108 6.916 -1.502 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.459 8.160 -2.320 1.00 0.00 C ATOM 1016 CD GLN A 65 -6.941 8.007 -3.745 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -7.103 6.949 -4.355 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -6.324 9.004 -4.318 1.00 0.00 N ATOM 0 H GLN A 65 -6.006 4.849 -0.599 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.320 6.446 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.652 6.052 -1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.413 7.052 -0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.539 8.306 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.022 9.045 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.190 9.880 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.975 8.908 -5.272 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.677 8.025 0.202 1.00 0.00 N ATOM 1028 CA ALA A 66 -3.976 9.170 0.769 1.00 0.00 C ATOM 1029 C ALA A 66 -2.827 8.710 1.660 1.00 0.00 C ATOM 1030 O ALA A 66 -1.731 9.270 1.616 1.00 0.00 O ATOM 1031 CB ALA A 66 -4.946 10.026 1.585 1.00 0.00 C ATOM 0 H ALA A 66 -5.009 7.348 0.889 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.569 9.763 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.413 10.879 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.749 10.381 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.368 9.428 2.393 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.083 7.686 2.469 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.062 7.159 3.368 1.00 0.00 C ATOM 1039 C GLY A 67 -2.620 6.958 4.773 1.00 0.00 C ATOM 1040 O GLY A 67 -2.201 6.052 5.494 1.00 0.00 O ATOM 0 H GLY A 67 -3.982 7.208 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.688 6.211 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.215 7.845 3.404 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.565 7.810 5.156 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.173 7.719 6.478 1.00 0.00 C ATOM 1046 C LYS A 68 -4.378 6.261 6.879 1.00 0.00 C ATOM 1047 O LYS A 68 -4.113 5.878 8.019 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.521 8.445 6.484 1.00 0.00 C ATOM 1049 CG LYS A 68 -5.300 9.935 6.218 1.00 0.00 C ATOM 1050 CD LYS A 68 -4.942 10.640 7.527 1.00 0.00 C ATOM 1051 CE LYS A 68 -4.855 12.150 7.289 1.00 0.00 C ATOM 1052 NZ LYS A 68 -3.437 12.592 7.412 1.00 0.00 N ATOM 0 H LYS A 68 -3.925 8.567 4.574 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.502 8.189 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.177 8.022 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.017 8.306 7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.501 10.070 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.200 10.376 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.694 10.424 8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.991 10.266 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.239 12.395 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.476 12.679 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.378 13.618 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.086 12.371 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.856 12.096 6.706 1.00 0.00 H new ATOM 1066 N ARG A 69 -4.851 5.455 5.935 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.091 4.040 6.200 1.00 0.00 C ATOM 1068 C ARG A 69 -3.782 3.315 6.499 1.00 0.00 C ATOM 1069 O ARG A 69 -3.755 2.355 7.270 1.00 0.00 O ATOM 1070 CB ARG A 69 -5.767 3.393 4.986 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.090 2.751 5.413 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.146 3.841 5.603 1.00 0.00 C ATOM 1073 NE ARG A 69 -7.908 4.564 6.847 1.00 0.00 N ATOM 1074 CZ ARG A 69 -8.123 5.874 6.936 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -8.550 6.540 5.898 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -7.904 6.494 8.063 1.00 0.00 N ATOM 0 H ARG A 69 -5.075 5.754 4.986 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.742 3.959 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.947 4.143 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.110 2.640 4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.420 2.037 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.954 2.195 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.120 4.533 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.140 3.395 5.618 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.570 4.056 7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.720 6.056 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.714 7.544 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.568 5.974 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.068 7.498 8.133 1.00 0.00 H new ATOM 1090 N THR A 70 -2.700 3.775 5.880 1.00 0.00 N ATOM 1091 CA THR A 70 -1.394 3.157 6.083 1.00 0.00 C ATOM 1092 C THR A 70 -0.969 3.244 7.546 1.00 0.00 C ATOM 1093 O THR A 70 -0.495 2.266 8.122 1.00 0.00 O ATOM 1094 CB THR A 70 -0.349 3.845 5.202 1.00 0.00 C ATOM 1095 OG1 THR A 70 -0.980 4.365 4.040 1.00 0.00 O ATOM 1096 CG2 THR A 70 0.722 2.833 4.794 1.00 0.00 C ATOM 0 H THR A 70 -2.700 4.568 5.238 1.00 0.00 H new ATOM 0 HA THR A 70 -1.469 2.105 5.807 1.00 0.00 H new ATOM 0 HB THR A 70 0.117 4.659 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.308 4.516 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.466 3.324 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.205 2.435 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.259 2.018 4.238 1.00 0.00 H new ATOM 1104 N SER A 71 -1.135 4.420 8.141 1.00 0.00 N ATOM 1105 CA SER A 71 -0.757 4.616 9.536 1.00 0.00 C ATOM 1106 C SER A 71 -1.845 4.096 10.472 1.00 0.00 C ATOM 1107 O SER A 71 -1.581 3.778 11.630 1.00 0.00 O ATOM 1108 CB SER A 71 -0.516 6.102 9.809 1.00 0.00 C ATOM 1109 OG SER A 71 -1.192 6.873 8.825 1.00 0.00 O ATOM 0 H SER A 71 -1.525 5.245 7.685 1.00 0.00 H new ATOM 0 HA SER A 71 0.160 4.057 9.722 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.875 6.364 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.552 6.319 9.788 1.00 0.00 H new ATOM 0 HG SER A 71 -0.631 6.947 8.025 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.070 4.018 9.961 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.191 3.539 10.761 1.00 0.00 C ATOM 1117 C ASN A 72 -4.292 2.016 10.704 1.00 0.00 C ATOM 1118 O ASN A 72 -4.696 1.375 11.674 1.00 0.00 O ATOM 1119 CB ASN A 72 -5.494 4.156 10.250 1.00 0.00 C ATOM 1120 CG ASN A 72 -5.909 5.317 11.147 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -5.276 6.373 11.130 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -6.940 5.184 11.935 1.00 0.00 N ATOM 0 H ASN A 72 -3.310 4.278 9.004 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.023 3.837 11.796 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.363 4.506 9.226 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.280 3.401 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.223 5.956 12.539 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.463 4.308 11.947 1.00 0.00 H new ATOM 1129 N ASN A 73 -3.929 1.444 9.559 1.00 0.00 N ATOM 1130 CA ASN A 73 -3.991 -0.005 9.387 1.00 0.00 C ATOM 1131 C ASN A 73 -2.650 -0.649 9.727 1.00 0.00 C ATOM 1132 O ASN A 73 -2.569 -1.857 9.948 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.363 -0.338 7.942 1.00 0.00 C ATOM 1134 CG ASN A 73 -4.807 -1.793 7.837 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -5.657 -2.241 8.608 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -4.280 -2.562 6.924 1.00 0.00 N ATOM 0 H ASN A 73 -3.592 1.956 8.744 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.749 -0.399 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.163 0.320 7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.508 -0.162 7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.572 -3.536 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.576 -2.189 6.287 1.00 0.00 H new ATOM 1143 N ALA A 74 -1.603 0.164 9.766 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.269 -0.337 10.079 1.00 0.00 C ATOM 1145 C ALA A 74 -0.287 -1.160 11.364 1.00 0.00 C ATOM 1146 O ALA A 74 0.513 -2.080 11.534 1.00 0.00 O ATOM 1147 CB ALA A 74 0.706 0.832 10.236 1.00 0.00 C ATOM 0 H ALA A 74 -1.649 1.167 9.586 1.00 0.00 H new ATOM 0 HA ALA A 74 0.056 -0.976 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.699 0.449 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.746 1.400 9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.369 1.481 11.044 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.199 -0.818 12.268 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.306 -1.529 13.538 1.00 0.00 C ATOM 1155 C ASP A 75 -1.867 -2.935 13.333 1.00 0.00 C ATOM 1156 O ASP A 75 -1.554 -3.851 14.091 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.213 -0.750 14.493 1.00 0.00 C ATOM 1158 CG ASP A 75 -3.227 0.067 13.698 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -2.860 1.131 13.226 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -4.353 -0.383 13.573 1.00 0.00 O ATOM 0 H ASP A 75 -1.870 -0.059 12.147 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.307 -1.614 13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.731 -1.440 15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.614 -0.090 15.120 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.697 -3.098 12.308 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.291 -4.401 12.021 1.00 0.00 C ATOM 1167 C LYS A 76 -2.350 -5.249 11.172 1.00 0.00 C ATOM 1168 O LYS A 76 -2.463 -6.475 11.141 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.619 -4.220 11.284 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.456 -3.147 11.984 1.00 0.00 C ATOM 1171 CD LYS A 76 -5.784 -3.601 13.407 1.00 0.00 C ATOM 1172 CE LYS A 76 -6.889 -2.714 13.983 1.00 0.00 C ATOM 1173 NZ LYS A 76 -8.195 -3.427 13.896 1.00 0.00 N ATOM 0 H LYS A 76 -2.972 -2.353 11.668 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.466 -4.912 12.968 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.435 -3.933 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.165 -5.163 11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.910 -2.204 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.376 -2.968 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.104 -4.643 13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.893 -3.544 14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.667 -2.466 15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.939 -1.774 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.896 -2.941 14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.522 -3.433 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.079 -4.406 14.228 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.426 -4.591 10.480 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.474 -5.297 9.629 1.00 0.00 C ATOM 1189 C LEU A 77 0.677 -5.865 10.453 1.00 0.00 C ATOM 1190 O LEU A 77 0.943 -7.066 10.421 1.00 0.00 O ATOM 1191 CB LEU A 77 0.084 -4.347 8.569 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.061 -3.792 7.722 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.504 -2.813 6.686 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -1.767 -4.945 7.006 1.00 0.00 C ATOM 0 H LEU A 77 -1.316 -3.577 10.491 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.999 -6.121 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.625 -3.530 9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.797 -4.873 7.934 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.771 -3.272 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.321 -2.418 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.001 -1.992 7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.206 -3.331 6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.584 -4.552 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.056 -5.463 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.164 -5.642 7.743 1.00 0.00 H new ATOM 1206 N ALA A 78 1.360 -4.991 11.186 1.00 0.00 N ATOM 1207 CA ALA A 78 2.487 -5.416 12.009 1.00 0.00 C ATOM 1208 C ALA A 78 2.200 -6.759 12.674 1.00 0.00 C ATOM 1209 O ALA A 78 3.119 -7.518 12.979 1.00 0.00 O ATOM 1210 CB ALA A 78 2.773 -4.362 13.082 1.00 0.00 C ATOM 0 H ALA A 78 1.155 -3.993 11.227 1.00 0.00 H new ATOM 0 HA ALA A 78 3.359 -5.528 11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.616 -4.685 13.694 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.014 -3.412 12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.893 -4.237 13.713 1.00 0.00 H new ATOM 1216 N ALA A 79 0.922 -7.045 12.899 1.00 0.00 N ATOM 1217 CA ALA A 79 0.534 -8.300 13.533 1.00 0.00 C ATOM 1218 C ALA A 79 0.537 -9.446 12.524 1.00 0.00 C ATOM 1219 O ALA A 79 1.071 -10.521 12.795 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.861 -8.164 14.145 1.00 0.00 C ATOM 0 H ALA A 79 0.144 -6.432 12.655 1.00 0.00 H new ATOM 0 HA ALA A 79 1.259 -8.524 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.145 -9.105 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.855 -7.371 14.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.579 -7.920 13.363 1.00 0.00 H new ATOM 1226 N ILE A 80 -0.070 -9.212 11.366 1.00 0.00 N ATOM 1227 CA ILE A 80 -0.142 -10.237 10.329 1.00 0.00 C ATOM 1228 C ILE A 80 1.156 -10.304 9.530 1.00 0.00 C ATOM 1229 O ILE A 80 1.430 -11.300 8.861 1.00 0.00 O ATOM 1230 CB ILE A 80 -1.304 -9.935 9.384 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.624 -10.053 10.147 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -1.294 -10.935 8.226 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.784 -9.672 9.226 1.00 0.00 C ATOM 0 H ILE A 80 -0.517 -8.328 11.122 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.299 -11.200 10.815 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.199 -8.924 8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.755 -11.072 10.512 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.610 -9.401 11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.123 -10.719 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.353 -10.852 7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.399 -11.947 8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.724 -9.757 9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.654 -8.645 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.801 -10.342 8.366 1.00 0.00 H new ATOM 1245 N ALA A 81 1.949 -9.240 9.596 1.00 0.00 N ATOM 1246 CA ALA A 81 3.210 -9.195 8.865 1.00 0.00 C ATOM 1247 C ALA A 81 4.374 -9.608 9.760 1.00 0.00 C ATOM 1248 O ALA A 81 5.534 -9.534 9.354 1.00 0.00 O ATOM 1249 CB ALA A 81 3.451 -7.784 8.329 1.00 0.00 C ATOM 0 H ALA A 81 1.744 -8.404 10.143 1.00 0.00 H new ATOM 0 HA ALA A 81 3.147 -9.896 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.395 -7.758 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.637 -7.505 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.493 -7.081 9.161 1.00 0.00 H new ATOM 1255 N ALA A 82 4.061 -10.043 10.976 1.00 0.00 N ATOM 1256 CA ALA A 82 5.101 -10.463 11.908 1.00 0.00 C ATOM 1257 C ALA A 82 6.253 -9.468 11.900 1.00 0.00 C ATOM 1258 O ALA A 82 6.214 -8.460 11.194 1.00 0.00 O ATOM 1259 CB ALA A 82 5.612 -11.853 11.523 1.00 0.00 C ATOM 0 H ALA A 82 3.109 -10.114 11.336 1.00 0.00 H new ATOM 0 HA ALA A 82 4.678 -10.500 12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.389 -12.162 12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.788 -12.566 11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.024 -11.823 10.514 1.00 0.00 H new ATOM 1265 N PRO A 83 7.268 -9.732 12.674 1.00 0.00 N ATOM 1266 CA PRO A 83 8.460 -8.843 12.771 1.00 0.00 C ATOM 1267 C PRO A 83 9.173 -8.683 11.429 1.00 0.00 C ATOM 1268 O PRO A 83 10.351 -8.331 11.379 1.00 0.00 O ATOM 1269 CB PRO A 83 9.365 -9.536 13.796 1.00 0.00 C ATOM 1270 CG PRO A 83 8.498 -10.520 14.512 1.00 0.00 C ATOM 1271 CD PRO A 83 7.389 -10.908 13.543 1.00 0.00 C ATOM 0 HA PRO A 83 8.184 -7.830 13.066 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.199 -10.036 13.305 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.792 -8.813 14.492 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.073 -11.396 14.814 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.084 -10.082 15.420 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.646 -11.802 12.975 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.456 -11.120 14.065 1.00 0.00 H new ATOM 1279 N ALA A 84 8.448 -8.941 10.344 1.00 0.00 N ATOM 1280 CA ALA A 84 9.017 -8.818 9.006 1.00 0.00 C ATOM 1281 C ALA A 84 9.305 -7.355 8.685 1.00 0.00 C ATOM 1282 O ALA A 84 9.055 -6.470 9.504 1.00 0.00 O ATOM 1283 CB ALA A 84 8.043 -9.389 7.972 1.00 0.00 C ATOM 0 H ALA A 84 7.471 -9.235 10.365 1.00 0.00 H new ATOM 0 HA ALA A 84 9.951 -9.378 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.474 -9.294 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.858 -10.441 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.103 -8.839 8.015 1.00 0.00 H new ATOM 1289 N GLU A 85 9.832 -7.104 7.491 1.00 0.00 N ATOM 1290 CA GLU A 85 10.146 -5.741 7.077 1.00 0.00 C ATOM 1291 C GLU A 85 8.929 -5.085 6.436 1.00 0.00 C ATOM 1292 O GLU A 85 8.491 -5.487 5.358 1.00 0.00 O ATOM 1293 CB GLU A 85 11.308 -5.752 6.080 1.00 0.00 C ATOM 1294 CG GLU A 85 12.567 -6.281 6.771 1.00 0.00 C ATOM 1295 CD GLU A 85 13.678 -6.483 5.745 1.00 0.00 C ATOM 1296 OE1 GLU A 85 14.354 -5.516 5.435 1.00 0.00 O ATOM 1297 OE2 GLU A 85 13.837 -7.603 5.287 1.00 0.00 O ATOM 0 H GLU A 85 10.049 -7.820 6.798 1.00 0.00 H new ATOM 0 HA GLU A 85 10.432 -5.169 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.060 -6.378 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.484 -4.746 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.893 -5.579 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.348 -7.224 7.273 1.00 0.00 H new ATOM 1304 N ILE A 86 8.384 -4.074 7.107 1.00 0.00 N ATOM 1305 CA ILE A 86 7.215 -3.374 6.590 1.00 0.00 C ATOM 1306 C ILE A 86 7.538 -1.912 6.311 1.00 0.00 C ATOM 1307 O ILE A 86 8.228 -1.255 7.090 1.00 0.00 O ATOM 1308 CB ILE A 86 6.067 -3.457 7.598 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.144 -4.788 8.347 1.00 0.00 C ATOM 1310 CG2 ILE A 86 4.730 -3.366 6.860 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.059 -4.828 9.424 1.00 0.00 C ATOM 0 H ILE A 86 8.730 -3.725 8.001 1.00 0.00 H new ATOM 0 HA ILE A 86 6.918 -3.852 5.656 1.00 0.00 H new ATOM 0 HB ILE A 86 6.147 -2.633 8.307 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.013 -5.617 7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.128 -4.906 8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.913 -3.425 7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.674 -2.418 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.649 -4.189 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.112 -5.776 9.959 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.211 -4.007 10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.079 -4.729 8.957 1.00 0.00 H new ATOM 1323 N PHE A 87 7.024 -1.408 5.196 1.00 0.00 N ATOM 1324 CA PHE A 87 7.245 -0.019 4.817 1.00 0.00 C ATOM 1325 C PHE A 87 5.906 0.702 4.713 1.00 0.00 C ATOM 1326 O PHE A 87 4.851 0.074 4.799 1.00 0.00 O ATOM 1327 CB PHE A 87 7.981 0.044 3.476 1.00 0.00 C ATOM 1328 CG PHE A 87 9.324 -0.638 3.604 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.322 -0.073 4.407 1.00 0.00 C ATOM 1330 CD2 PHE A 87 9.571 -1.836 2.919 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.566 -0.705 4.525 1.00 0.00 C ATOM 1332 CE2 PHE A 87 10.815 -2.466 3.038 1.00 0.00 C ATOM 1333 CZ PHE A 87 11.813 -1.900 3.841 1.00 0.00 C ATOM 0 H PHE A 87 6.452 -1.940 4.540 1.00 0.00 H new ATOM 0 HA PHE A 87 7.855 0.469 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.388 -0.441 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.116 1.082 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.133 0.850 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.801 -2.273 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.336 -0.269 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 87 11.005 -3.389 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.773 -2.386 3.932 1.00 0.00 H new ATOM 1343 N LEU A 88 5.944 2.019 4.536 1.00 0.00 N ATOM 1344 CA LEU A 88 4.704 2.785 4.433 1.00 0.00 C ATOM 1345 C LEU A 88 4.793 3.821 3.318 1.00 0.00 C ATOM 1346 O LEU A 88 5.765 4.570 3.226 1.00 0.00 O ATOM 1347 CB LEU A 88 4.399 3.492 5.759 1.00 0.00 C ATOM 1348 CG LEU A 88 4.735 2.570 6.935 1.00 0.00 C ATOM 1349 CD1 LEU A 88 4.827 3.396 8.220 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.634 1.518 7.088 1.00 0.00 C ATOM 0 H LEU A 88 6.799 2.570 4.462 1.00 0.00 H new ATOM 0 HA LEU A 88 3.901 2.086 4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.978 4.413 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.347 3.774 5.797 1.00 0.00 H new ATOM 0 HG LEU A 88 5.689 2.077 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.066 2.741 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.608 4.149 8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.872 3.888 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.872 0.861 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.681 2.013 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.564 0.929 6.173 1.00 0.00 H new ATOM 1362 N LEU A 89 3.765 3.858 2.476 1.00 0.00 N ATOM 1363 CA LEU A 89 3.724 4.808 1.370 1.00 0.00 C ATOM 1364 C LEU A 89 3.245 6.168 1.862 1.00 0.00 C ATOM 1365 O LEU A 89 2.056 6.482 1.787 1.00 0.00 O ATOM 1366 CB LEU A 89 2.781 4.299 0.279 1.00 0.00 C ATOM 1367 CG LEU A 89 3.184 4.887 -1.076 1.00 0.00 C ATOM 1368 CD1 LEU A 89 3.415 6.393 -0.943 1.00 0.00 C ATOM 1369 CD2 LEU A 89 4.471 4.217 -1.562 1.00 0.00 C ATOM 0 H LEU A 89 2.953 3.244 2.538 1.00 0.00 H new ATOM 0 HA LEU A 89 4.729 4.910 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.814 3.210 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.754 4.578 0.515 1.00 0.00 H new ATOM 0 HG LEU A 89 2.384 4.708 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.701 6.804 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.498 6.873 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.211 6.577 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.757 4.636 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.268 4.392 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.306 3.145 -1.667 1.00 0.00 H new ATOM 1381 N GLU A 90 4.174 6.968 2.368 1.00 0.00 N ATOM 1382 CA GLU A 90 3.835 8.293 2.873 1.00 0.00 C ATOM 1383 C GLU A 90 3.168 9.128 1.785 1.00 0.00 C ATOM 1384 O GLU A 90 3.751 9.366 0.729 1.00 0.00 O ATOM 1385 CB GLU A 90 5.099 9.000 3.360 1.00 0.00 C ATOM 1386 CG GLU A 90 4.713 10.170 4.267 1.00 0.00 C ATOM 1387 CD GLU A 90 5.955 10.976 4.632 1.00 0.00 C ATOM 1388 OE1 GLU A 90 6.954 10.832 3.946 1.00 0.00 O ATOM 1389 OE2 GLU A 90 5.889 11.725 5.592 1.00 0.00 O ATOM 0 H GLU A 90 5.162 6.726 2.440 1.00 0.00 H new ATOM 0 HA GLU A 90 3.138 8.179 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.734 8.300 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.677 9.361 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.989 10.810 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.232 9.797 5.171 1.00 0.00 H new ATOM 1396 N ASP A 91 1.943 9.573 2.056 1.00 0.00 N ATOM 1397 CA ASP A 91 1.199 10.388 1.099 1.00 0.00 C ATOM 1398 C ASP A 91 0.289 9.518 0.236 1.00 0.00 C ATOM 1399 O ASP A 91 -0.742 9.981 -0.254 1.00 0.00 O ATOM 1400 CB ASP A 91 2.168 11.164 0.203 1.00 0.00 C ATOM 1401 CG ASP A 91 1.488 12.418 -0.337 1.00 0.00 C ATOM 1402 OD1 ASP A 91 0.474 12.805 0.221 1.00 0.00 O ATOM 1403 OD2 ASP A 91 1.993 12.973 -1.299 1.00 0.00 O ATOM 0 H ASP A 91 1.446 9.384 2.927 1.00 0.00 H new ATOM 0 HA ASP A 91 0.582 11.090 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.059 11.438 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.496 10.534 -0.623 1.00 0.00 H new ATOM 1408 N GLY A 92 0.671 8.257 0.056 1.00 0.00 N ATOM 1409 CA GLY A 92 -0.125 7.337 -0.749 1.00 0.00 C ATOM 1410 C GLY A 92 0.101 7.578 -2.238 1.00 0.00 C ATOM 1411 O GLY A 92 1.159 8.058 -2.645 1.00 0.00 O ATOM 0 H GLY A 92 1.519 7.852 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.138 6.309 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.182 7.462 -0.513 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.898 7.239 -3.047 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.795 7.423 -4.490 1.00 0.00 C ATOM 1417 C ILE A 93 -0.614 8.898 -4.828 1.00 0.00 C ATOM 1418 O ILE A 93 -0.117 9.243 -5.900 1.00 0.00 O ATOM 1419 CB ILE A 93 -2.049 6.885 -5.179 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.759 6.663 -6.665 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -3.190 7.893 -5.028 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.880 5.828 -7.287 1.00 0.00 C ATOM 0 H ILE A 93 -1.781 6.839 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 93 0.075 6.871 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.337 5.940 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.679 7.622 -7.177 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.802 6.155 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.083 7.508 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.398 8.051 -3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.903 8.839 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.672 5.671 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.939 4.864 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.829 6.354 -7.178 1.00 0.00 H new ATOM 1434 N ASP A 94 -1.017 9.764 -3.905 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.889 11.201 -4.115 1.00 0.00 C ATOM 1436 C ASP A 94 0.530 11.541 -4.557 1.00 0.00 C ATOM 1437 O ASP A 94 0.740 12.089 -5.638 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.223 11.950 -2.824 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.244 13.047 -3.104 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -3.392 12.713 -3.347 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -1.863 14.206 -3.071 1.00 0.00 O ATOM 0 H ASP A 94 -1.432 9.499 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.587 11.506 -4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.618 11.255 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.317 12.385 -2.402 1.00 0.00 H new ATOM 1446 N GLY A 95 1.503 11.205 -3.714 1.00 0.00 N ATOM 1447 CA GLY A 95 2.901 11.472 -4.032 1.00 0.00 C ATOM 1448 C GLY A 95 3.315 10.725 -5.295 1.00 0.00 C ATOM 1449 O GLY A 95 4.036 11.259 -6.137 1.00 0.00 O ATOM 0 H GLY A 95 1.350 10.751 -2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.050 12.543 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.534 11.167 -3.199 1.00 0.00 H new ATOM 1453 N TRP A 96 2.847 9.488 -5.418 1.00 0.00 N ATOM 1454 CA TRP A 96 3.165 8.670 -6.581 1.00 0.00 C ATOM 1455 C TRP A 96 2.809 9.412 -7.865 1.00 0.00 C ATOM 1456 O TRP A 96 3.500 9.293 -8.876 1.00 0.00 O ATOM 1457 CB TRP A 96 2.385 7.355 -6.513 1.00 0.00 C ATOM 1458 CG TRP A 96 2.747 6.492 -7.679 1.00 0.00 C ATOM 1459 CD1 TRP A 96 2.328 6.685 -8.951 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.590 5.304 -7.701 1.00 0.00 C ATOM 1461 NE1 TRP A 96 2.860 5.691 -9.753 1.00 0.00 N ATOM 1462 CE2 TRP A 96 3.645 4.816 -9.028 1.00 0.00 C ATOM 1463 CE3 TRP A 96 4.305 4.611 -6.710 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 4.384 3.680 -9.358 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 5.050 3.466 -7.038 1.00 0.00 C ATOM 1466 CH2 TRP A 96 5.089 3.002 -8.360 1.00 0.00 C ATOM 0 H TRP A 96 2.249 9.032 -4.729 1.00 0.00 H new ATOM 0 HA TRP A 96 4.235 8.460 -6.582 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.609 6.836 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.314 7.556 -6.516 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.684 7.484 -9.286 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.693 5.614 -10.756 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.282 4.961 -5.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 4.411 3.327 -10.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 5.595 2.941 -6.268 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.663 2.121 -8.607 1.00 0.00 H new ATOM 1477 N LYS A 97 1.726 10.181 -7.814 1.00 0.00 N ATOM 1478 CA LYS A 97 1.285 10.942 -8.975 1.00 0.00 C ATOM 1479 C LYS A 97 2.093 12.229 -9.113 1.00 0.00 C ATOM 1480 O LYS A 97 2.627 12.529 -10.181 1.00 0.00 O ATOM 1481 CB LYS A 97 -0.199 11.289 -8.839 1.00 0.00 C ATOM 1482 CG LYS A 97 -1.039 10.018 -8.976 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.693 9.984 -10.358 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.915 10.906 -10.370 1.00 0.00 C ATOM 1485 NZ LYS A 97 -2.942 11.679 -11.644 1.00 0.00 N ATOM 0 H LYS A 97 1.141 10.293 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 97 1.439 10.330 -9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.386 11.758 -7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.486 12.010 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.411 9.138 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.803 9.989 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.978 10.301 -11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.991 8.965 -10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.828 10.319 -10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.878 11.587 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.772 12.305 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.076 12.250 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.996 11.021 -12.448 1.00 0.00 H new ATOM 1499 N ARG A 98 2.173 12.987 -8.024 1.00 0.00 N ATOM 1500 CA ARG A 98 2.912 14.246 -8.029 1.00 0.00 C ATOM 1501 C ARG A 98 4.322 14.049 -8.574 1.00 0.00 C ATOM 1502 O ARG A 98 4.977 15.008 -8.980 1.00 0.00 O ATOM 1503 CB ARG A 98 2.990 14.809 -6.609 1.00 0.00 C ATOM 1504 CG ARG A 98 3.740 16.143 -6.631 1.00 0.00 C ATOM 1505 CD ARG A 98 3.812 16.713 -5.214 1.00 0.00 C ATOM 1506 NE ARG A 98 5.042 16.286 -4.558 1.00 0.00 N ATOM 1507 CZ ARG A 98 5.063 15.222 -3.762 1.00 0.00 C ATOM 1508 NH1 ARG A 98 3.973 14.532 -3.565 1.00 0.00 N ATOM 1509 NH2 ARG A 98 6.174 14.865 -3.180 1.00 0.00 N ATOM 0 H ARG A 98 1.738 12.754 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 98 2.384 14.947 -8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.987 14.950 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.500 14.103 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.745 16.000 -7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.233 16.846 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.770 17.802 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.950 16.380 -4.637 1.00 0.00 H new ATOM 0 HE ARG A 98 5.901 16.813 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.104 14.809 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.990 13.715 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.027 15.402 -3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.190 14.048 -2.569 1.00 0.00 H new ATOM 1523 N ALA A 99 4.786 12.805 -8.578 1.00 0.00 N ATOM 1524 CA ALA A 99 6.125 12.506 -9.072 1.00 0.00 C ATOM 1525 C ALA A 99 6.066 11.944 -10.490 1.00 0.00 C ATOM 1526 O ALA A 99 7.052 11.986 -11.225 1.00 0.00 O ATOM 1527 CB ALA A 99 6.810 11.498 -8.149 1.00 0.00 C ATOM 0 H ALA A 99 4.262 11.995 -8.249 1.00 0.00 H new ATOM 0 HA ALA A 99 6.698 13.433 -9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.809 11.281 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.884 11.916 -7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.226 10.578 -8.118 1.00 0.00 H new ATOM 1533 N GLY A 100 4.905 11.418 -10.867 1.00 0.00 N ATOM 1534 CA GLY A 100 4.736 10.850 -12.199 1.00 0.00 C ATOM 1535 C GLY A 100 5.371 9.468 -12.279 1.00 0.00 C ATOM 1536 O GLY A 100 6.422 9.289 -12.896 1.00 0.00 O ATOM 0 H GLY A 100 4.075 11.373 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.675 10.783 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.190 11.508 -12.941 1.00 0.00 H new ATOM 1540 N LEU A 101 4.730 8.493 -11.644 1.00 0.00 N ATOM 1541 CA LEU A 101 5.239 7.130 -11.641 1.00 0.00 C ATOM 1542 C LEU A 101 4.226 6.183 -12.275 1.00 0.00 C ATOM 1543 O LEU A 101 3.022 6.439 -12.250 1.00 0.00 O ATOM 1544 CB LEU A 101 5.526 6.692 -10.204 1.00 0.00 C ATOM 1545 CG LEU A 101 6.811 7.361 -9.715 1.00 0.00 C ATOM 1546 CD1 LEU A 101 6.775 7.482 -8.190 1.00 0.00 C ATOM 1547 CD2 LEU A 101 8.016 6.514 -10.131 1.00 0.00 C ATOM 0 H LEU A 101 3.860 8.622 -11.127 1.00 0.00 H new ATOM 0 HA LEU A 101 6.160 7.097 -12.223 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.693 6.964 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.627 5.608 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 101 6.894 8.354 -10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.691 7.959 -7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.916 8.084 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.692 6.489 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.933 6.990 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.932 5.521 -9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.042 6.427 -11.217 1.00 0.00 H new ATOM 1559 N PRO A 102 4.691 5.103 -12.838 1.00 0.00 N ATOM 1560 CA PRO A 102 3.827 4.093 -13.492 1.00 0.00 C ATOM 1561 C PRO A 102 2.440 4.012 -12.856 1.00 0.00 C ATOM 1562 O PRO A 102 2.304 3.702 -11.672 1.00 0.00 O ATOM 1563 CB PRO A 102 4.616 2.804 -13.286 1.00 0.00 C ATOM 1564 CG PRO A 102 6.058 3.219 -13.272 1.00 0.00 C ATOM 1565 CD PRO A 102 6.105 4.713 -12.916 1.00 0.00 C ATOM 0 HA PRO A 102 3.624 4.321 -14.538 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.338 2.318 -12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.420 2.091 -14.087 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.618 2.633 -12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.517 3.042 -14.244 1.00 0.00 H new ATOM 0 HD2 PRO A 102 6.619 4.882 -11.970 1.00 0.00 H new ATOM 0 HD3 PRO A 102 6.637 5.288 -13.674 1.00 0.00 H new ATOM 1573 N VAL A 103 1.417 4.295 -13.656 1.00 0.00 N ATOM 1574 CA VAL A 103 0.041 4.256 -13.175 1.00 0.00 C ATOM 1575 C VAL A 103 -0.883 3.730 -14.271 1.00 0.00 C ATOM 1576 O VAL A 103 -0.552 3.802 -15.454 1.00 0.00 O ATOM 1577 CB VAL A 103 -0.397 5.660 -12.756 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -0.024 6.658 -13.853 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -1.909 5.684 -12.542 1.00 0.00 C ATOM 0 H VAL A 103 1.515 4.553 -14.638 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.017 3.589 -12.315 1.00 0.00 H new ATOM 0 HB VAL A 103 0.104 5.932 -11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.336 7.659 -13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.055 6.644 -14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.525 6.383 -14.781 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.218 6.686 -12.243 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.412 5.410 -13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.177 4.973 -11.760 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.040 3.196 -13.880 1.00 0.00 N ATOM 1590 CA ALA A 104 -2.982 2.662 -14.860 1.00 0.00 C ATOM 1591 C ALA A 104 -4.422 2.936 -14.442 1.00 0.00 C ATOM 1592 O ALA A 104 -4.817 2.654 -13.310 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.774 1.154 -15.014 1.00 0.00 C ATOM 0 H ALA A 104 -2.343 3.123 -12.909 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.797 3.158 -15.813 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.480 0.762 -15.746 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.756 0.960 -15.351 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.938 0.664 -14.054 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.203 3.481 -15.368 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.603 3.783 -15.096 1.00 0.00 C ATOM 1601 C VAL A 105 -7.493 2.666 -15.618 1.00 0.00 C ATOM 1602 O VAL A 105 -7.229 2.093 -16.675 1.00 0.00 O ATOM 1603 CB VAL A 105 -6.998 5.097 -15.768 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -8.461 5.418 -15.449 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.106 6.225 -15.247 1.00 0.00 C ATOM 0 H VAL A 105 -4.892 3.722 -16.309 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.733 3.874 -14.018 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.874 5.002 -16.847 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.741 6.356 -15.929 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.099 4.616 -15.820 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.586 5.511 -14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.388 7.163 -15.726 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.230 6.318 -14.168 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.064 6.000 -15.475 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.551 2.359 -14.878 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.466 1.308 -15.295 1.00 0.00 C ATOM 1617 C ASN A 106 -10.528 1.872 -16.233 1.00 0.00 C ATOM 1618 O ASN A 106 -11.416 2.610 -15.809 1.00 0.00 O ATOM 1619 CB ASN A 106 -10.140 0.685 -14.073 1.00 0.00 C ATOM 1620 CG ASN A 106 -10.182 -0.833 -14.217 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -11.237 -1.444 -14.050 1.00 0.00 O ATOM 1622 ND2 ASN A 106 -9.090 -1.481 -14.519 1.00 0.00 N ATOM 0 H ASN A 106 -8.793 2.816 -13.999 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.897 0.542 -15.822 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.596 0.958 -13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.152 1.076 -13.966 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.110 -2.496 -14.617 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.217 -0.972 -14.657 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.430 1.516 -17.509 1.00 0.00 N ATOM 1630 CA LYS A 107 -11.388 1.991 -18.501 1.00 0.00 C ATOM 1631 C LYS A 107 -12.095 0.814 -19.168 1.00 0.00 C ATOM 1632 O LYS A 107 -11.412 0.005 -19.772 1.00 0.00 O ATOM 1633 CB LYS A 107 -10.672 2.826 -19.562 1.00 0.00 C ATOM 1634 CG LYS A 107 -11.704 3.458 -20.500 1.00 0.00 C ATOM 1635 CD LYS A 107 -11.048 4.585 -21.299 1.00 0.00 C ATOM 1636 CE LYS A 107 -11.557 5.935 -20.794 1.00 0.00 C ATOM 1637 NZ LYS A 107 -10.809 7.032 -21.469 1.00 0.00 N ATOM 1638 OXT LYS A 107 -13.308 0.742 -19.065 1.00 0.00 O ATOM 0 H LYS A 107 -9.702 0.904 -17.879 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.131 2.608 -17.995 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.074 3.603 -19.086 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.985 2.199 -20.130 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.105 2.704 -21.177 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.543 3.848 -19.924 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.964 4.533 -21.198 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.275 4.473 -22.359 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.624 6.031 -20.994 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.428 6.003 -19.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.155 7.951 -21.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.795 6.943 -21.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.954 6.970 -22.497 1.00 0.00 H new