USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 889 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.2 (180deg=1.18) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 18 MET CE :methyl 166:sc= -0.0127 (180deg=-0.274) USER MOD Single : A 19 MET CE :methyl 134:sc= -0.735 (180deg=-1.81) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.131 (180deg=-0.474) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0934 USER MOD Single : A 58 ASN : amide:sc= -0.0492 K(o=-0.049,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0.118 K(o=0.12,f=-4.7!) USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= 0.332 (180deg=-0.627) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.985) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.463 6.641 -0.004 1.00 0.00 N ATOM 2 CA MET A 1 3.901 5.508 0.833 1.00 0.00 C ATOM 3 C MET A 1 4.179 4.301 -0.053 1.00 0.00 C ATOM 4 O MET A 1 3.281 3.820 -0.740 1.00 0.00 O ATOM 5 CB MET A 1 2.854 5.194 1.908 1.00 0.00 C ATOM 6 CG MET A 1 3.372 4.205 2.955 1.00 0.00 C ATOM 7 SD MET A 1 3.560 2.495 2.390 1.00 0.00 S ATOM 8 CE MET A 1 4.149 1.753 3.934 1.00 0.00 C ATOM 0 H1 MET A 1 3.176 7.433 0.606 1.00 0.00 H new ATOM 0 H2 MET A 1 4.247 6.943 -0.617 1.00 0.00 H new ATOM 0 H3 MET A 1 2.657 6.347 -0.592 1.00 0.00 H new ATOM 0 HA MET A 1 4.823 5.773 1.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.556 6.119 2.402 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.962 4.784 1.434 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.338 4.558 3.315 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.691 4.215 3.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.323 0.688 3.783 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.080 2.233 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.399 1.891 4.713 1.00 0.00 H new ATOM 20 N SER A 2 5.430 3.822 -0.034 1.00 0.00 N ATOM 21 CA SER A 2 5.928 2.766 -0.914 1.00 0.00 C ATOM 22 C SER A 2 5.800 3.140 -2.393 1.00 0.00 C ATOM 23 O SER A 2 5.120 4.103 -2.746 1.00 0.00 O ATOM 24 CB SER A 2 5.247 1.440 -0.573 1.00 0.00 C ATOM 25 OG SER A 2 5.872 0.379 -1.263 1.00 0.00 O ATOM 0 H SER A 2 6.139 4.170 0.612 1.00 0.00 H new ATOM 0 HA SER A 2 6.997 2.644 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.296 1.263 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.191 1.486 -0.841 1.00 0.00 H new ATOM 0 HG SER A 2 5.429 -0.465 -1.036 1.00 0.00 H new ATOM 31 N ALA A 3 6.460 2.371 -3.264 1.00 0.00 N ATOM 32 CA ALA A 3 6.523 2.631 -4.696 1.00 0.00 C ATOM 33 C ALA A 3 7.044 4.039 -5.014 1.00 0.00 C ATOM 34 O ALA A 3 7.455 4.779 -4.125 1.00 0.00 O ATOM 35 CB ALA A 3 5.151 2.366 -5.320 1.00 0.00 C ATOM 0 H ALA A 3 6.974 1.536 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 3 7.247 1.948 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.195 2.560 -6.392 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.869 1.327 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.410 3.022 -4.863 1.00 0.00 H new ATOM 41 N LEU A 4 7.021 4.397 -6.303 1.00 0.00 N ATOM 42 CA LEU A 4 7.488 5.679 -6.812 1.00 0.00 C ATOM 43 C LEU A 4 6.515 6.226 -7.854 1.00 0.00 C ATOM 44 O LEU A 4 6.914 6.950 -8.764 1.00 0.00 O ATOM 45 CB LEU A 4 8.905 5.520 -7.377 1.00 0.00 C ATOM 46 CG LEU A 4 9.926 5.313 -6.253 1.00 0.00 C ATOM 47 CD1 LEU A 4 11.272 4.865 -6.800 1.00 0.00 C ATOM 48 CD2 LEU A 4 10.167 6.643 -5.552 1.00 0.00 C ATOM 0 H LEU A 4 6.666 3.782 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 4 7.527 6.404 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.934 4.671 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.171 6.405 -7.956 1.00 0.00 H new ATOM 0 HG LEU A 4 9.525 4.555 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.972 4.728 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.152 3.923 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.658 5.623 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.893 6.505 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.552 7.368 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.229 7.009 -5.134 1.00 0.00 H new ATOM 60 N THR A 5 5.232 5.883 -7.731 1.00 0.00 N ATOM 61 CA THR A 5 4.198 6.315 -8.663 1.00 0.00 C ATOM 62 C THR A 5 3.782 7.765 -8.454 1.00 0.00 C ATOM 63 O THR A 5 2.982 8.274 -9.240 1.00 0.00 O ATOM 64 CB THR A 5 2.966 5.413 -8.532 1.00 0.00 C ATOM 65 OG1 THR A 5 2.899 4.845 -7.245 1.00 0.00 O ATOM 66 CG2 THR A 5 3.018 4.309 -9.580 1.00 0.00 C ATOM 0 H THR A 5 4.882 5.294 -6.976 1.00 0.00 H new ATOM 0 HA THR A 5 4.624 6.237 -9.663 1.00 0.00 H new ATOM 0 HB THR A 5 2.075 6.021 -8.690 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.105 4.274 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.139 3.672 -9.481 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.034 4.753 -10.575 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.918 3.711 -9.435 1.00 0.00 H new ATOM 74 N GLN A 6 4.298 8.438 -7.425 1.00 0.00 N ATOM 75 CA GLN A 6 3.861 9.785 -7.104 1.00 0.00 C ATOM 76 C GLN A 6 5.011 10.780 -7.030 1.00 0.00 C ATOM 77 O GLN A 6 5.917 10.627 -6.211 1.00 0.00 O ATOM 78 CB GLN A 6 3.068 9.733 -5.803 1.00 0.00 C ATOM 79 CG GLN A 6 1.913 8.756 -6.025 1.00 0.00 C ATOM 80 CD GLN A 6 0.842 8.791 -4.952 1.00 0.00 C ATOM 81 OE1 GLN A 6 0.906 9.541 -3.982 1.00 0.00 O ATOM 82 NE2 GLN A 6 -0.166 7.945 -5.150 1.00 0.00 N ATOM 0 H GLN A 6 5.018 8.068 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 6 3.226 10.150 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.700 9.403 -4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.692 10.722 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.451 8.973 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.316 7.745 -6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.172 7.342 -5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.933 7.899 -4.479 1.00 0.00 H new ATOM 91 N ILE A 7 4.958 11.796 -7.899 1.00 0.00 N ATOM 92 CA ILE A 7 6.025 12.773 -8.076 1.00 0.00 C ATOM 93 C ILE A 7 5.520 14.193 -7.826 1.00 0.00 C ATOM 94 O ILE A 7 4.432 14.550 -8.280 1.00 0.00 O ATOM 95 CB ILE A 7 6.593 12.668 -9.499 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.790 11.221 -9.977 1.00 0.00 C ATOM 97 CG2 ILE A 7 7.923 13.422 -9.580 1.00 0.00 C ATOM 98 CD1 ILE A 7 7.711 10.408 -9.070 1.00 0.00 C ATOM 0 H ILE A 7 4.156 11.960 -8.507 1.00 0.00 H new ATOM 0 HA ILE A 7 6.809 12.557 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 7 5.854 13.117 -10.162 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.819 10.729 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.201 11.231 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.324 13.346 -10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.762 14.471 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.631 12.987 -8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.808 9.396 -9.463 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.693 10.879 -9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.290 10.368 -8.065 1.00 0.00 H new ATOM 110 N LEU A 8 6.308 15.004 -7.114 1.00 0.00 N ATOM 111 CA LEU A 8 6.037 16.428 -6.943 1.00 0.00 C ATOM 112 C LEU A 8 6.818 17.203 -8.005 1.00 0.00 C ATOM 113 O LEU A 8 7.994 16.925 -8.235 1.00 0.00 O ATOM 114 CB LEU A 8 6.430 16.860 -5.522 1.00 0.00 C ATOM 115 CG LEU A 8 5.619 18.028 -4.946 1.00 0.00 C ATOM 116 CD1 LEU A 8 6.284 18.510 -3.659 1.00 0.00 C ATOM 117 CD2 LEU A 8 5.505 19.231 -5.879 1.00 0.00 C ATOM 0 H LEU A 8 7.154 14.687 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 8 4.975 16.637 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.325 16.003 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.484 17.136 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 8 4.613 17.641 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.713 19.340 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.315 17.694 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.300 18.841 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.917 20.011 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.501 19.613 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.016 18.928 -6.805 1.00 0.00 H new ATOM 129 N ILE A 9 6.170 18.175 -8.649 1.00 0.00 N ATOM 130 CA ILE A 9 6.773 18.991 -9.693 1.00 0.00 C ATOM 131 C ILE A 9 7.138 20.359 -9.117 1.00 0.00 C ATOM 132 O ILE A 9 6.285 21.036 -8.545 1.00 0.00 O ATOM 133 CB ILE A 9 5.778 19.122 -10.854 1.00 0.00 C ATOM 134 CG1 ILE A 9 5.404 17.730 -11.382 1.00 0.00 C ATOM 135 CG2 ILE A 9 6.374 19.979 -11.971 1.00 0.00 C ATOM 136 CD1 ILE A 9 4.300 17.811 -12.436 1.00 0.00 C ATOM 0 H ILE A 9 5.199 18.417 -8.454 1.00 0.00 H new ATOM 0 HA ILE A 9 7.685 18.526 -10.067 1.00 0.00 H new ATOM 0 HB ILE A 9 4.874 19.613 -10.492 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.285 17.253 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.074 17.102 -10.555 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.657 20.063 -12.787 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.602 20.973 -11.585 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.289 19.514 -12.338 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.059 16.808 -12.789 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.411 18.265 -11.998 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.641 18.418 -13.274 1.00 0.00 H new ATOM 148 N VAL A 10 8.401 20.772 -9.270 1.00 0.00 N ATOM 149 CA VAL A 10 8.872 22.054 -8.759 1.00 0.00 C ATOM 150 C VAL A 10 9.658 22.787 -9.840 1.00 0.00 C ATOM 151 O VAL A 10 10.693 22.294 -10.286 1.00 0.00 O ATOM 152 CB VAL A 10 9.759 21.843 -7.527 1.00 0.00 C ATOM 153 CG1 VAL A 10 10.102 23.194 -6.894 1.00 0.00 C ATOM 154 CG2 VAL A 10 9.081 20.964 -6.480 1.00 0.00 C ATOM 0 H VAL A 10 9.118 20.227 -9.749 1.00 0.00 H new ATOM 0 HA VAL A 10 8.008 22.654 -8.473 1.00 0.00 H new ATOM 0 HB VAL A 10 10.665 21.339 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.733 23.036 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.634 23.811 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.184 23.699 -6.593 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.744 20.840 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.153 21.435 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.860 19.988 -6.912 1.00 0.00 H new ATOM 164 N GLU A 11 9.171 23.959 -10.256 1.00 0.00 N ATOM 165 CA GLU A 11 9.797 24.761 -11.303 1.00 0.00 C ATOM 166 C GLU A 11 9.706 26.248 -10.963 1.00 0.00 C ATOM 167 O GLU A 11 8.897 26.651 -10.128 1.00 0.00 O ATOM 168 CB GLU A 11 9.118 24.494 -12.650 1.00 0.00 C ATOM 169 CG GLU A 11 9.392 23.085 -13.187 1.00 0.00 C ATOM 170 CD GLU A 11 10.870 22.862 -13.514 1.00 0.00 C ATOM 171 OE1 GLU A 11 11.307 21.693 -13.444 1.00 0.00 O ATOM 172 OE2 GLU A 11 11.555 23.862 -13.833 1.00 0.00 O ATOM 0 H GLU A 11 8.325 24.379 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 11 10.848 24.480 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.042 24.634 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.464 25.228 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.071 22.349 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.795 22.919 -14.084 1.00 0.00 H new ATOM 179 N ASP A 12 10.539 27.067 -11.613 1.00 0.00 N ATOM 180 CA ASP A 12 10.558 28.511 -11.406 1.00 0.00 C ATOM 181 C ASP A 12 9.736 29.246 -12.472 1.00 0.00 C ATOM 182 O ASP A 12 9.648 30.472 -12.453 1.00 0.00 O ATOM 183 CB ASP A 12 12.011 28.993 -11.376 1.00 0.00 C ATOM 184 CG ASP A 12 12.128 30.461 -10.964 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.610 31.264 -11.797 1.00 0.00 O ATOM 186 OD2 ASP A 12 11.734 30.772 -9.816 1.00 0.00 O ATOM 0 H ASP A 12 11.220 26.742 -12.299 1.00 0.00 H new ATOM 0 HA ASP A 12 10.090 28.740 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.581 28.377 -10.681 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.456 28.858 -12.362 1.00 0.00 H new ATOM 191 N GLU A 13 9.127 28.508 -13.408 1.00 0.00 N ATOM 192 CA GLU A 13 8.303 29.092 -14.455 1.00 0.00 C ATOM 193 C GLU A 13 7.161 28.139 -14.827 1.00 0.00 C ATOM 194 O GLU A 13 7.405 26.949 -15.026 1.00 0.00 O ATOM 195 CB GLU A 13 9.182 29.395 -15.671 1.00 0.00 C ATOM 196 CG GLU A 13 8.391 30.143 -16.747 1.00 0.00 C ATOM 197 CD GLU A 13 9.292 30.544 -17.912 1.00 0.00 C ATOM 198 OE1 GLU A 13 9.558 31.760 -18.042 1.00 0.00 O ATOM 199 OE2 GLU A 13 9.708 29.635 -18.664 1.00 0.00 O ATOM 0 H GLU A 13 9.196 27.491 -13.455 1.00 0.00 H new ATOM 0 HA GLU A 13 7.858 30.021 -14.098 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.040 29.993 -15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.573 28.464 -16.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.580 29.512 -17.111 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.933 31.033 -16.314 1.00 0.00 H new ATOM 206 N PRO A 14 5.917 28.637 -14.928 1.00 0.00 N ATOM 207 CA PRO A 14 4.750 27.824 -15.242 1.00 0.00 C ATOM 208 C PRO A 14 4.847 27.108 -16.589 1.00 0.00 C ATOM 209 O PRO A 14 4.179 26.095 -16.789 1.00 0.00 O ATOM 210 CB PRO A 14 3.568 28.795 -15.261 1.00 0.00 C ATOM 211 CG PRO A 14 4.036 29.951 -14.378 1.00 0.00 C ATOM 212 CD PRO A 14 5.526 30.017 -14.691 1.00 0.00 C ATOM 0 HA PRO A 14 4.649 27.032 -14.500 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.341 29.130 -16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.663 28.332 -14.868 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.527 30.883 -14.625 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.851 29.757 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.719 30.639 -15.565 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.086 30.450 -13.862 1.00 0.00 H new ATOM 220 N LEU A 15 5.664 27.617 -17.515 1.00 0.00 N ATOM 221 CA LEU A 15 5.796 27.012 -18.832 1.00 0.00 C ATOM 222 C LEU A 15 6.573 25.703 -18.720 1.00 0.00 C ATOM 223 O LEU A 15 6.230 24.717 -19.371 1.00 0.00 O ATOM 224 CB LEU A 15 6.464 28.033 -19.761 1.00 0.00 C ATOM 225 CG LEU A 15 6.533 27.584 -21.227 1.00 0.00 C ATOM 226 CD1 LEU A 15 6.666 28.826 -22.105 1.00 0.00 C ATOM 227 CD2 LEU A 15 7.738 26.686 -21.511 1.00 0.00 C ATOM 0 H LEU A 15 6.241 28.446 -17.372 1.00 0.00 H new ATOM 0 HA LEU A 15 4.825 26.757 -19.256 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.917 28.974 -19.704 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.475 28.229 -19.403 1.00 0.00 H new ATOM 0 HG LEU A 15 5.626 27.017 -21.439 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.717 28.528 -23.152 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.802 29.473 -21.953 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.575 29.365 -21.837 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.737 26.398 -22.562 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.657 27.227 -21.283 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.680 25.792 -20.890 1.00 0.00 H new ATOM 239 N ILE A 16 7.622 25.686 -17.891 1.00 0.00 N ATOM 240 CA ILE A 16 8.420 24.488 -17.686 1.00 0.00 C ATOM 241 C ILE A 16 7.645 23.511 -16.807 1.00 0.00 C ATOM 242 O ILE A 16 7.819 22.300 -16.920 1.00 0.00 O ATOM 243 CB ILE A 16 9.765 24.866 -17.051 1.00 0.00 C ATOM 244 CG1 ILE A 16 10.487 25.948 -17.869 1.00 0.00 C ATOM 245 CG2 ILE A 16 10.659 23.628 -16.933 1.00 0.00 C ATOM 246 CD1 ILE A 16 10.783 25.516 -19.309 1.00 0.00 C ATOM 0 H ILE A 16 7.933 26.495 -17.353 1.00 0.00 H new ATOM 0 HA ILE A 16 8.623 24.004 -18.641 1.00 0.00 H new ATOM 0 HB ILE A 16 9.563 25.267 -16.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.876 26.851 -17.885 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.423 26.205 -17.374 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.611 23.908 -16.481 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.167 22.882 -16.309 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.837 23.212 -17.925 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.293 26.324 -19.834 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.419 24.631 -19.300 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.848 25.286 -19.819 1.00 0.00 H new ATOM 258 N ALA A 17 6.781 24.030 -15.930 1.00 0.00 N ATOM 259 CA ALA A 17 5.964 23.187 -15.073 1.00 0.00 C ATOM 260 C ALA A 17 4.919 22.441 -15.902 1.00 0.00 C ATOM 261 O ALA A 17 4.536 21.326 -15.555 1.00 0.00 O ATOM 262 CB ALA A 17 5.293 24.061 -14.016 1.00 0.00 C ATOM 0 H ALA A 17 6.634 25.031 -15.800 1.00 0.00 H new ATOM 0 HA ALA A 17 6.592 22.444 -14.581 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.677 23.439 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.056 24.562 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.666 24.807 -14.505 1.00 0.00 H new ATOM 268 N MET A 18 4.457 23.048 -16.999 1.00 0.00 N ATOM 269 CA MET A 18 3.490 22.415 -17.882 1.00 0.00 C ATOM 270 C MET A 18 4.178 21.351 -18.736 1.00 0.00 C ATOM 271 O MET A 18 3.546 20.380 -19.147 1.00 0.00 O ATOM 272 CB MET A 18 2.837 23.492 -18.751 1.00 0.00 C ATOM 273 CG MET A 18 1.742 22.891 -19.631 1.00 0.00 C ATOM 274 SD MET A 18 0.832 24.103 -20.624 1.00 0.00 S ATOM 275 CE MET A 18 2.172 24.694 -21.695 1.00 0.00 C ATOM 0 H MET A 18 4.743 23.982 -17.293 1.00 0.00 H new ATOM 0 HA MET A 18 2.716 21.917 -17.298 1.00 0.00 H new ATOM 0 HB2 MET A 18 2.413 24.270 -18.116 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.592 23.968 -19.377 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.192 22.156 -20.299 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.036 22.355 -18.997 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.751 25.256 -22.528 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.838 25.339 -21.122 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.733 23.842 -22.079 1.00 0.00 H new ATOM 285 N MET A 19 5.477 21.525 -19.003 1.00 0.00 N ATOM 286 CA MET A 19 6.250 20.548 -19.750 1.00 0.00 C ATOM 287 C MET A 19 6.522 19.322 -18.878 1.00 0.00 C ATOM 288 O MET A 19 6.643 18.209 -19.389 1.00 0.00 O ATOM 289 CB MET A 19 7.557 21.199 -20.200 1.00 0.00 C ATOM 290 CG MET A 19 8.362 20.248 -21.089 1.00 0.00 C ATOM 291 SD MET A 19 9.984 20.887 -21.578 1.00 0.00 S ATOM 292 CE MET A 19 10.771 20.937 -19.949 1.00 0.00 C ATOM 0 H MET A 19 6.011 22.342 -18.707 1.00 0.00 H new ATOM 0 HA MET A 19 5.693 20.218 -20.627 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.342 22.118 -20.745 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.149 21.477 -19.328 1.00 0.00 H new ATOM 0 HG2 MET A 19 8.499 19.304 -20.562 1.00 0.00 H new ATOM 0 HG3 MET A 19 7.784 20.030 -21.987 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.771 20.508 -20.015 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.841 21.971 -19.611 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.175 20.363 -19.239 1.00 0.00 H new ATOM 302 N LEU A 20 6.616 19.512 -17.559 1.00 0.00 N ATOM 303 CA LEU A 20 6.813 18.410 -16.633 1.00 0.00 C ATOM 304 C LEU A 20 5.548 17.558 -16.561 1.00 0.00 C ATOM 305 O LEU A 20 5.636 16.335 -16.448 1.00 0.00 O ATOM 306 CB LEU A 20 7.171 18.977 -15.253 1.00 0.00 C ATOM 307 CG LEU A 20 8.661 18.850 -14.915 1.00 0.00 C ATOM 308 CD1 LEU A 20 9.003 17.382 -14.671 1.00 0.00 C ATOM 309 CD2 LEU A 20 9.545 19.434 -16.014 1.00 0.00 C ATOM 0 H LEU A 20 6.557 20.428 -17.113 1.00 0.00 H new ATOM 0 HA LEU A 20 7.628 17.774 -16.978 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.885 20.028 -15.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.587 18.459 -14.492 1.00 0.00 H new ATOM 0 HG LEU A 20 8.857 19.425 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.062 17.290 -14.431 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.408 17.003 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.783 16.803 -15.568 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.593 19.324 -15.735 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.361 18.905 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.313 20.491 -16.144 1.00 0.00 H new ATOM 321 N GLU A 21 4.372 18.187 -16.629 1.00 0.00 N ATOM 322 CA GLU A 21 3.123 17.446 -16.615 1.00 0.00 C ATOM 323 C GLU A 21 2.908 16.733 -17.949 1.00 0.00 C ATOM 324 O GLU A 21 2.161 15.759 -18.011 1.00 0.00 O ATOM 325 CB GLU A 21 1.956 18.394 -16.322 1.00 0.00 C ATOM 326 CG GLU A 21 2.054 18.968 -14.910 1.00 0.00 C ATOM 327 CD GLU A 21 0.847 19.848 -14.599 1.00 0.00 C ATOM 328 OE1 GLU A 21 -0.131 19.307 -14.039 1.00 0.00 O ATOM 329 OE2 GLU A 21 0.906 21.056 -14.919 1.00 0.00 O ATOM 0 H GLU A 21 4.266 19.199 -16.694 1.00 0.00 H new ATOM 0 HA GLU A 21 3.171 16.693 -15.829 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.952 19.207 -17.049 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.013 17.860 -16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.114 18.156 -14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.970 19.551 -14.812 1.00 0.00 H new ATOM 336 N ASP A 22 3.555 17.201 -19.019 1.00 0.00 N ATOM 337 CA ASP A 22 3.386 16.590 -20.329 1.00 0.00 C ATOM 338 C ASP A 22 4.089 15.241 -20.401 1.00 0.00 C ATOM 339 O ASP A 22 3.525 14.288 -20.937 1.00 0.00 O ATOM 340 CB ASP A 22 3.909 17.546 -21.400 1.00 0.00 C ATOM 341 CG ASP A 22 3.641 17.008 -22.805 1.00 0.00 C ATOM 342 OD1 ASP A 22 4.622 16.600 -23.466 1.00 0.00 O ATOM 343 OD2 ASP A 22 2.455 17.010 -23.205 1.00 0.00 O ATOM 0 H ASP A 22 4.195 17.995 -19.000 1.00 0.00 H new ATOM 0 HA ASP A 22 2.326 16.406 -20.504 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.433 18.520 -21.285 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.980 17.696 -21.264 1.00 0.00 H new ATOM 348 N PHE A 23 5.312 15.132 -19.868 1.00 0.00 N ATOM 349 CA PHE A 23 6.017 13.859 -19.890 1.00 0.00 C ATOM 350 C PHE A 23 5.448 12.890 -18.857 1.00 0.00 C ATOM 351 O PHE A 23 5.632 11.682 -18.986 1.00 0.00 O ATOM 352 CB PHE A 23 7.513 14.088 -19.677 1.00 0.00 C ATOM 353 CG PHE A 23 8.192 14.686 -20.889 1.00 0.00 C ATOM 354 CD1 PHE A 23 8.447 13.881 -22.010 1.00 0.00 C ATOM 355 CD2 PHE A 23 8.570 16.037 -20.900 1.00 0.00 C ATOM 356 CE1 PHE A 23 9.073 14.423 -23.141 1.00 0.00 C ATOM 357 CE2 PHE A 23 9.183 16.583 -22.036 1.00 0.00 C ATOM 358 CZ PHE A 23 9.442 15.775 -23.153 1.00 0.00 C ATOM 0 H PHE A 23 5.820 15.898 -19.426 1.00 0.00 H new ATOM 0 HA PHE A 23 5.874 13.400 -20.868 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.657 14.749 -18.822 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.990 13.139 -19.430 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.160 12.840 -22.001 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.389 16.656 -20.034 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.270 13.800 -24.001 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.456 17.628 -22.051 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.926 16.195 -24.022 1.00 0.00 H new ATOM 368 N LEU A 24 4.757 13.395 -17.832 1.00 0.00 N ATOM 369 CA LEU A 24 4.149 12.530 -16.832 1.00 0.00 C ATOM 370 C LEU A 24 2.796 11.998 -17.305 1.00 0.00 C ATOM 371 O LEU A 24 2.311 11.008 -16.761 1.00 0.00 O ATOM 372 CB LEU A 24 4.041 13.287 -15.507 1.00 0.00 C ATOM 373 CG LEU A 24 5.425 13.548 -14.898 1.00 0.00 C ATOM 374 CD1 LEU A 24 5.290 14.488 -13.703 1.00 0.00 C ATOM 375 CD2 LEU A 24 6.080 12.254 -14.413 1.00 0.00 C ATOM 0 H LEU A 24 4.608 14.392 -17.678 1.00 0.00 H new ATOM 0 HA LEU A 24 4.783 11.657 -16.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.528 14.235 -15.668 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.436 12.712 -14.806 1.00 0.00 H new ATOM 0 HG LEU A 24 6.047 13.991 -15.676 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.274 14.672 -13.272 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.855 15.432 -14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.645 14.032 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.058 12.478 -13.988 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.452 11.791 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.198 11.569 -15.253 1.00 0.00 H new ATOM 387 N GLU A 25 2.175 12.630 -18.307 1.00 0.00 N ATOM 388 CA GLU A 25 0.954 12.101 -18.898 1.00 0.00 C ATOM 389 C GLU A 25 1.288 11.075 -19.983 1.00 0.00 C ATOM 390 O GLU A 25 0.458 10.223 -20.294 1.00 0.00 O ATOM 391 CB GLU A 25 0.107 13.241 -19.469 1.00 0.00 C ATOM 392 CG GLU A 25 -0.613 13.988 -18.344 1.00 0.00 C ATOM 393 CD GLU A 25 -1.522 15.077 -18.908 1.00 0.00 C ATOM 394 OE1 GLU A 25 -1.052 16.232 -19.018 1.00 0.00 O ATOM 395 OE2 GLU A 25 -2.688 14.745 -19.225 1.00 0.00 O ATOM 0 H GLU A 25 2.501 13.504 -18.720 1.00 0.00 H new ATOM 0 HA GLU A 25 0.376 11.599 -18.122 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.742 13.931 -20.024 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.622 12.842 -20.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.203 13.286 -17.755 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.119 14.433 -17.670 1.00 0.00 H new ATOM 402 N VAL A 26 2.495 11.144 -20.554 1.00 0.00 N ATOM 403 CA VAL A 26 2.957 10.147 -21.515 1.00 0.00 C ATOM 404 C VAL A 26 3.488 8.922 -20.774 1.00 0.00 C ATOM 405 O VAL A 26 3.559 7.832 -21.341 1.00 0.00 O ATOM 406 CB VAL A 26 4.017 10.773 -22.429 1.00 0.00 C ATOM 407 CG1 VAL A 26 4.650 9.748 -23.368 1.00 0.00 C ATOM 408 CG2 VAL A 26 3.374 11.862 -23.290 1.00 0.00 C ATOM 0 H VAL A 26 3.170 11.885 -20.364 1.00 0.00 H new ATOM 0 HA VAL A 26 2.129 9.816 -22.142 1.00 0.00 H new ATOM 0 HB VAL A 26 4.793 11.182 -21.782 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.394 10.240 -23.995 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.130 8.965 -22.781 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.878 9.307 -23.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.129 12.306 -23.939 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.583 11.424 -23.900 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.951 12.633 -22.646 1.00 0.00 H new ATOM 418 N LEU A 27 3.858 9.096 -19.501 1.00 0.00 N ATOM 419 CA LEU A 27 4.352 8.015 -18.656 1.00 0.00 C ATOM 420 C LEU A 27 3.214 7.379 -17.850 1.00 0.00 C ATOM 421 O LEU A 27 3.442 6.448 -17.082 1.00 0.00 O ATOM 422 CB LEU A 27 5.475 8.574 -17.774 1.00 0.00 C ATOM 423 CG LEU A 27 6.202 7.520 -16.933 1.00 0.00 C ATOM 424 CD1 LEU A 27 6.777 6.407 -17.812 1.00 0.00 C ATOM 425 CD2 LEU A 27 7.355 8.191 -16.185 1.00 0.00 C ATOM 0 H LEU A 27 3.821 9.999 -19.029 1.00 0.00 H new ATOM 0 HA LEU A 27 4.759 7.208 -19.265 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.202 9.079 -18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.056 9.328 -17.107 1.00 0.00 H new ATOM 0 HG LEU A 27 5.485 7.083 -16.238 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.287 5.675 -17.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.969 5.919 -18.356 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.486 6.833 -18.522 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.879 7.449 -15.583 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.047 8.631 -16.903 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.961 8.973 -15.535 1.00 0.00 H new ATOM 437 N ASP A 28 1.984 7.878 -18.021 1.00 0.00 N ATOM 438 CA ASP A 28 0.819 7.411 -17.271 1.00 0.00 C ATOM 439 C ASP A 28 1.092 7.441 -15.763 1.00 0.00 C ATOM 440 O ASP A 28 0.719 6.530 -15.027 1.00 0.00 O ATOM 441 CB ASP A 28 0.376 6.039 -17.791 1.00 0.00 C ATOM 442 CG ASP A 28 -0.962 5.605 -17.191 1.00 0.00 C ATOM 443 OD1 ASP A 28 -1.075 4.412 -16.831 1.00 0.00 O ATOM 444 OD2 ASP A 28 -1.864 6.469 -17.099 1.00 0.00 O ATOM 0 H ASP A 28 1.771 8.620 -18.687 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.018 8.090 -17.432 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.293 6.072 -18.877 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.138 5.297 -17.552 1.00 0.00 H new ATOM 449 N LYS A 29 1.759 8.509 -15.312 1.00 0.00 N ATOM 450 CA LYS A 29 2.186 8.677 -13.930 1.00 0.00 C ATOM 451 C LYS A 29 1.064 9.284 -13.085 1.00 0.00 C ATOM 452 O LYS A 29 0.090 9.806 -13.626 1.00 0.00 O ATOM 453 CB LYS A 29 3.436 9.568 -13.926 1.00 0.00 C ATOM 454 CG LYS A 29 4.647 8.864 -13.322 1.00 0.00 C ATOM 455 CD LYS A 29 4.442 8.630 -11.830 1.00 0.00 C ATOM 456 CE LYS A 29 5.741 8.153 -11.189 1.00 0.00 C ATOM 457 NZ LYS A 29 6.146 6.828 -11.703 1.00 0.00 N ATOM 0 H LYS A 29 2.019 9.291 -15.913 1.00 0.00 H new ATOM 0 HA LYS A 29 2.424 7.710 -13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.667 9.871 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.229 10.478 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.810 7.911 -13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.542 9.466 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.109 9.551 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.658 7.889 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.532 8.877 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.616 8.102 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.861 6.414 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.316 6.203 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.546 6.933 -12.657 1.00 0.00 H new ATOM 471 N THR A 30 1.204 9.211 -11.758 1.00 0.00 N ATOM 472 CA THR A 30 0.231 9.771 -10.823 1.00 0.00 C ATOM 473 C THR A 30 0.865 10.911 -10.022 1.00 0.00 C ATOM 474 O THR A 30 1.181 10.736 -8.846 1.00 0.00 O ATOM 475 CB THR A 30 -0.322 8.669 -9.904 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.745 7.567 -10.683 1.00 0.00 O ATOM 477 CG2 THR A 30 -1.530 9.185 -9.124 1.00 0.00 C ATOM 0 H THR A 30 1.998 8.760 -11.304 1.00 0.00 H new ATOM 0 HA THR A 30 -0.608 10.184 -11.383 1.00 0.00 H new ATOM 0 HB THR A 30 0.468 8.371 -9.214 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.095 6.866 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.911 8.394 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.232 10.039 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.310 9.491 -9.821 1.00 0.00 H new ATOM 485 N PRO A 31 1.064 12.089 -10.636 1.00 0.00 N ATOM 486 CA PRO A 31 1.654 13.238 -9.968 1.00 0.00 C ATOM 487 C PRO A 31 0.740 13.705 -8.840 1.00 0.00 C ATOM 488 O PRO A 31 -0.463 13.439 -8.862 1.00 0.00 O ATOM 489 CB PRO A 31 1.822 14.303 -11.058 1.00 0.00 C ATOM 490 CG PRO A 31 0.735 13.938 -12.068 1.00 0.00 C ATOM 491 CD PRO A 31 0.717 12.413 -12.006 1.00 0.00 C ATOM 0 HA PRO A 31 2.615 13.012 -9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.684 15.310 -10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.816 14.269 -11.505 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.230 14.366 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.974 14.300 -13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.265 12.019 -12.268 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.431 11.981 -12.707 1.00 0.00 H new ATOM 499 N VAL A 32 1.306 14.404 -7.854 1.00 0.00 N ATOM 500 CA VAL A 32 0.564 14.779 -6.653 1.00 0.00 C ATOM 501 C VAL A 32 0.418 16.287 -6.487 1.00 0.00 C ATOM 502 O VAL A 32 -0.305 16.737 -5.599 1.00 0.00 O ATOM 503 CB VAL A 32 1.218 14.147 -5.418 1.00 0.00 C ATOM 504 CG1 VAL A 32 1.218 12.630 -5.566 1.00 0.00 C ATOM 505 CG2 VAL A 32 2.663 14.608 -5.226 1.00 0.00 C ATOM 0 H VAL A 32 2.275 14.721 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.449 14.392 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 32 0.638 14.462 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.682 12.179 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.192 12.273 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.780 12.351 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.082 14.133 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.253 14.330 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.686 15.691 -5.103 1.00 0.00 H new ATOM 515 N GLY A 33 1.091 17.078 -7.326 1.00 0.00 N ATOM 516 CA GLY A 33 0.961 18.521 -7.268 1.00 0.00 C ATOM 517 C GLY A 33 2.066 19.231 -8.035 1.00 0.00 C ATOM 518 O GLY A 33 3.028 18.610 -8.485 1.00 0.00 O ATOM 0 H GLY A 33 1.727 16.738 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.007 18.813 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.979 18.844 -6.227 1.00 0.00 H new ATOM 522 N THR A 34 1.911 20.548 -8.172 1.00 0.00 N ATOM 523 CA THR A 34 2.878 21.415 -8.825 1.00 0.00 C ATOM 524 C THR A 34 3.011 22.687 -8.001 1.00 0.00 C ATOM 525 O THR A 34 2.014 23.207 -7.501 1.00 0.00 O ATOM 526 CB THR A 34 2.426 21.732 -10.251 1.00 0.00 C ATOM 527 OG1 THR A 34 2.220 20.537 -10.970 1.00 0.00 O ATOM 528 CG2 THR A 34 3.480 22.562 -10.980 1.00 0.00 C ATOM 0 H THR A 34 1.092 21.047 -7.824 1.00 0.00 H new ATOM 0 HA THR A 34 3.847 20.919 -8.890 1.00 0.00 H new ATOM 0 HB THR A 34 1.496 22.298 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.929 20.750 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.138 22.776 -11.993 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.640 23.498 -10.445 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.416 22.005 -11.023 1.00 0.00 H new ATOM 536 N VAL A 35 4.238 23.194 -7.857 1.00 0.00 N ATOM 537 CA VAL A 35 4.518 24.369 -7.045 1.00 0.00 C ATOM 538 C VAL A 35 5.524 25.281 -7.743 1.00 0.00 C ATOM 539 O VAL A 35 6.277 24.841 -8.613 1.00 0.00 O ATOM 540 CB VAL A 35 5.013 23.947 -5.655 1.00 0.00 C ATOM 541 CG1 VAL A 35 3.904 23.234 -4.880 1.00 0.00 C ATOM 542 CG2 VAL A 35 6.206 23.002 -5.761 1.00 0.00 C ATOM 0 H VAL A 35 5.064 22.796 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 35 3.596 24.936 -6.917 1.00 0.00 H new ATOM 0 HB VAL A 35 5.311 24.855 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.276 22.943 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.053 23.905 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.591 22.345 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.536 22.719 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.915 22.109 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.021 23.502 -6.284 1.00 0.00 H new ATOM 552 N ASP A 36 5.526 26.556 -7.349 1.00 0.00 N ATOM 553 CA ASP A 36 6.341 27.590 -7.973 1.00 0.00 C ATOM 554 C ASP A 36 7.303 28.230 -6.970 1.00 0.00 C ATOM 555 O ASP A 36 8.104 29.086 -7.338 1.00 0.00 O ATOM 556 CB ASP A 36 5.400 28.624 -8.593 1.00 0.00 C ATOM 557 CG ASP A 36 6.150 29.677 -9.405 1.00 0.00 C ATOM 558 OD1 ASP A 36 6.154 30.852 -8.965 1.00 0.00 O ATOM 559 OD2 ASP A 36 6.711 29.305 -10.460 1.00 0.00 O ATOM 0 H ASP A 36 4.953 26.900 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 36 6.966 27.150 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.680 28.117 -9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.832 29.115 -7.803 1.00 0.00 H new ATOM 564 N THR A 37 7.236 27.818 -5.698 1.00 0.00 N ATOM 565 CA THR A 37 8.075 28.362 -4.635 1.00 0.00 C ATOM 566 C THR A 37 8.561 27.246 -3.718 1.00 0.00 C ATOM 567 O THR A 37 7.988 26.157 -3.691 1.00 0.00 O ATOM 568 CB THR A 37 7.306 29.408 -3.820 1.00 0.00 C ATOM 569 OG1 THR A 37 6.201 28.794 -3.188 1.00 0.00 O ATOM 570 CG2 THR A 37 6.807 30.548 -4.701 1.00 0.00 C ATOM 0 H THR A 37 6.593 27.093 -5.380 1.00 0.00 H new ATOM 0 HA THR A 37 8.938 28.843 -5.096 1.00 0.00 H new ATOM 0 HB THR A 37 7.988 29.822 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.710 29.462 -2.665 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.266 31.271 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.656 31.039 -5.177 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.141 30.151 -5.467 1.00 0.00 H new ATOM 578 N VAL A 38 9.625 27.518 -2.956 1.00 0.00 N ATOM 579 CA VAL A 38 10.177 26.536 -2.034 1.00 0.00 C ATOM 580 C VAL A 38 9.289 26.382 -0.800 1.00 0.00 C ATOM 581 O VAL A 38 9.279 25.326 -0.171 1.00 0.00 O ATOM 582 CB VAL A 38 11.602 26.932 -1.635 1.00 0.00 C ATOM 583 CG1 VAL A 38 12.504 26.943 -2.870 1.00 0.00 C ATOM 584 CG2 VAL A 38 11.652 28.310 -0.973 1.00 0.00 C ATOM 0 H VAL A 38 10.117 28.411 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 38 10.212 25.570 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 38 11.952 26.194 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.516 27.225 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.519 25.950 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.121 27.662 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.682 28.549 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.273 29.061 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.037 28.304 -0.073 1.00 0.00 H new ATOM 594 N ALA A 39 8.537 27.430 -0.451 1.00 0.00 N ATOM 595 CA ALA A 39 7.640 27.381 0.691 1.00 0.00 C ATOM 596 C ALA A 39 6.366 26.624 0.329 1.00 0.00 C ATOM 597 O ALA A 39 5.738 26.018 1.199 1.00 0.00 O ATOM 598 CB ALA A 39 7.328 28.809 1.135 1.00 0.00 C ATOM 0 H ALA A 39 8.537 28.321 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 39 8.115 26.849 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.655 28.785 1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.253 29.314 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.853 29.349 0.316 1.00 0.00 H new ATOM 604 N GLY A 40 5.979 26.647 -0.950 1.00 0.00 N ATOM 605 CA GLY A 40 4.818 25.910 -1.418 1.00 0.00 C ATOM 606 C GLY A 40 5.136 24.425 -1.551 1.00 0.00 C ATOM 607 O GLY A 40 4.244 23.588 -1.425 1.00 0.00 O ATOM 0 H GLY A 40 6.461 27.174 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.990 26.048 -0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.495 26.305 -2.381 1.00 0.00 H new ATOM 611 N ALA A 41 6.405 24.089 -1.803 1.00 0.00 N ATOM 612 CA ALA A 41 6.813 22.700 -1.938 1.00 0.00 C ATOM 613 C ALA A 41 6.742 21.997 -0.586 1.00 0.00 C ATOM 614 O ALA A 41 6.278 20.858 -0.501 1.00 0.00 O ATOM 615 CB ALA A 41 8.230 22.650 -2.502 1.00 0.00 C ATOM 0 H ALA A 41 7.161 24.764 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 41 6.139 22.183 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.544 21.611 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.250 23.135 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.909 23.168 -1.825 1.00 0.00 H new ATOM 621 N LEU A 42 7.195 22.666 0.476 1.00 0.00 N ATOM 622 CA LEU A 42 7.151 22.086 1.809 1.00 0.00 C ATOM 623 C LEU A 42 5.712 22.064 2.327 1.00 0.00 C ATOM 624 O LEU A 42 5.376 21.245 3.181 1.00 0.00 O ATOM 625 CB LEU A 42 8.059 22.884 2.747 1.00 0.00 C ATOM 626 CG LEU A 42 9.524 22.859 2.293 1.00 0.00 C ATOM 627 CD1 LEU A 42 10.361 23.712 3.242 1.00 0.00 C ATOM 628 CD2 LEU A 42 10.090 21.438 2.288 1.00 0.00 C ATOM 0 H LEU A 42 7.593 23.604 0.434 1.00 0.00 H new ATOM 0 HA LEU A 42 7.511 21.058 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.712 23.916 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.986 22.476 3.755 1.00 0.00 H new ATOM 0 HG LEU A 42 9.565 23.252 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.403 23.696 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.993 24.738 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.286 23.312 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.129 21.462 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.035 21.021 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.509 20.817 1.606 1.00 0.00 H new ATOM 640 N ALA A 43 4.859 22.956 1.813 1.00 0.00 N ATOM 641 CA ALA A 43 3.459 22.979 2.200 1.00 0.00 C ATOM 642 C ALA A 43 2.710 21.793 1.593 1.00 0.00 C ATOM 643 O ALA A 43 1.688 21.378 2.138 1.00 0.00 O ATOM 644 CB ALA A 43 2.835 24.302 1.759 1.00 0.00 C ATOM 0 H ALA A 43 5.120 23.667 1.130 1.00 0.00 H new ATOM 0 HA ALA A 43 3.385 22.895 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.784 24.323 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.359 25.129 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.916 24.399 0.676 1.00 0.00 H new ATOM 650 N ARG A 44 3.203 21.244 0.474 1.00 0.00 N ATOM 651 CA ARG A 44 2.596 20.073 -0.144 1.00 0.00 C ATOM 652 C ARG A 44 3.092 18.784 0.502 1.00 0.00 C ATOM 653 O ARG A 44 2.425 17.756 0.395 1.00 0.00 O ATOM 654 CB ARG A 44 2.858 20.076 -1.654 1.00 0.00 C ATOM 655 CG ARG A 44 2.057 21.163 -2.376 1.00 0.00 C ATOM 656 CD ARG A 44 0.551 20.923 -2.252 1.00 0.00 C ATOM 657 NE ARG A 44 -0.203 21.899 -3.045 1.00 0.00 N ATOM 658 CZ ARG A 44 -1.535 21.935 -3.126 1.00 0.00 C ATOM 659 NH1 ARG A 44 -2.288 21.061 -2.462 1.00 0.00 N ATOM 660 NH2 ARG A 44 -2.125 22.860 -3.878 1.00 0.00 N ATOM 0 H ARG A 44 4.023 21.599 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 44 1.519 20.120 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.922 20.229 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.600 19.101 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.307 22.139 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.338 21.185 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.311 19.914 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.253 20.991 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 44 0.325 22.597 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.849 20.348 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.304 21.104 -2.536 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.560 23.538 -4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.142 22.892 -3.943 1.00 0.00 H new ATOM 674 N VAL A 45 4.245 18.822 1.176 1.00 0.00 N ATOM 675 CA VAL A 45 4.718 17.670 1.937 1.00 0.00 C ATOM 676 C VAL A 45 3.852 17.502 3.185 1.00 0.00 C ATOM 677 O VAL A 45 3.645 16.387 3.652 1.00 0.00 O ATOM 678 CB VAL A 45 6.195 17.856 2.300 1.00 0.00 C ATOM 679 CG1 VAL A 45 6.695 16.721 3.199 1.00 0.00 C ATOM 680 CG2 VAL A 45 7.052 17.860 1.036 1.00 0.00 C ATOM 0 H VAL A 45 4.862 19.634 1.208 1.00 0.00 H new ATOM 0 HA VAL A 45 4.635 16.765 1.336 1.00 0.00 H new ATOM 0 HB VAL A 45 6.279 18.806 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.746 16.883 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.112 16.702 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.583 15.769 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.099 17.993 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.930 16.913 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.739 18.677 0.387 1.00 0.00 H new ATOM 690 N GLU A 46 3.343 18.611 3.727 1.00 0.00 N ATOM 691 CA GLU A 46 2.424 18.583 4.859 1.00 0.00 C ATOM 692 C GLU A 46 0.984 18.320 4.415 1.00 0.00 C ATOM 693 O GLU A 46 0.130 18.001 5.242 1.00 0.00 O ATOM 694 CB GLU A 46 2.518 19.897 5.628 1.00 0.00 C ATOM 695 CG GLU A 46 3.908 20.076 6.236 1.00 0.00 C ATOM 696 CD GLU A 46 3.979 21.351 7.072 1.00 0.00 C ATOM 697 OE1 GLU A 46 3.937 21.229 8.316 1.00 0.00 O ATOM 698 OE2 GLU A 46 4.071 22.442 6.463 1.00 0.00 O ATOM 0 H GLU A 46 3.558 19.550 3.392 1.00 0.00 H new ATOM 0 HA GLU A 46 2.714 17.760 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.299 20.730 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.767 19.915 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.150 19.215 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.654 20.115 5.442 1.00 0.00 H new ATOM 705 N ASP A 47 0.699 18.456 3.115 1.00 0.00 N ATOM 706 CA ASP A 47 -0.648 18.304 2.580 1.00 0.00 C ATOM 707 C ASP A 47 -0.962 16.849 2.225 1.00 0.00 C ATOM 708 O ASP A 47 -2.122 16.506 1.995 1.00 0.00 O ATOM 709 CB ASP A 47 -0.791 19.217 1.361 1.00 0.00 C ATOM 710 CG ASP A 47 -2.207 19.227 0.793 1.00 0.00 C ATOM 711 OD1 ASP A 47 -2.333 18.995 -0.429 1.00 0.00 O ATOM 712 OD2 ASP A 47 -3.149 19.462 1.581 1.00 0.00 O ATOM 0 H ASP A 47 1.401 18.675 2.408 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.370 18.592 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.508 20.233 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.096 18.893 0.586 1.00 0.00 H new ATOM 717 N GLY A 48 0.056 15.984 2.176 1.00 0.00 N ATOM 718 CA GLY A 48 -0.138 14.577 1.859 1.00 0.00 C ATOM 719 C GLY A 48 1.192 13.859 1.638 1.00 0.00 C ATOM 720 O GLY A 48 2.248 14.487 1.604 1.00 0.00 O ATOM 0 H GLY A 48 1.027 16.242 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.682 14.093 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.753 14.487 0.964 1.00 0.00 H new ATOM 724 N GLY A 49 1.130 12.531 1.493 1.00 0.00 N ATOM 725 CA GLY A 49 2.318 11.719 1.261 1.00 0.00 C ATOM 726 C GLY A 49 2.831 11.878 -0.168 1.00 0.00 C ATOM 727 O GLY A 49 2.056 12.158 -1.083 1.00 0.00 O ATOM 0 H GLY A 49 0.261 11.998 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.100 12.006 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.087 10.671 1.452 1.00 0.00 H new ATOM 731 N ILE A 50 4.141 11.700 -0.348 1.00 0.00 N ATOM 732 CA ILE A 50 4.810 11.808 -1.638 1.00 0.00 C ATOM 733 C ILE A 50 5.890 10.729 -1.709 1.00 0.00 C ATOM 734 O ILE A 50 6.439 10.351 -0.675 1.00 0.00 O ATOM 735 CB ILE A 50 5.411 13.215 -1.799 1.00 0.00 C ATOM 736 CG1 ILE A 50 4.333 14.284 -1.560 1.00 0.00 C ATOM 737 CG2 ILE A 50 6.024 13.366 -3.196 1.00 0.00 C ATOM 738 CD1 ILE A 50 4.842 15.702 -1.808 1.00 0.00 C ATOM 0 H ILE A 50 4.776 11.472 0.417 1.00 0.00 H new ATOM 0 HA ILE A 50 4.102 11.659 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 50 6.199 13.352 -1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.483 14.089 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.972 14.206 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.447 14.365 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.810 12.623 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.251 13.218 -3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.038 16.415 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.674 15.912 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.178 15.793 -2.841 1.00 0.00 H new ATOM 750 N ASP A 51 6.200 10.228 -2.909 1.00 0.00 N ATOM 751 CA ASP A 51 7.177 9.155 -3.052 1.00 0.00 C ATOM 752 C ASP A 51 8.473 9.659 -3.679 1.00 0.00 C ATOM 753 O ASP A 51 9.532 9.086 -3.437 1.00 0.00 O ATOM 754 CB ASP A 51 6.576 8.018 -3.879 1.00 0.00 C ATOM 755 CG ASP A 51 5.349 7.418 -3.198 1.00 0.00 C ATOM 756 OD1 ASP A 51 5.385 7.271 -1.956 1.00 0.00 O ATOM 757 OD2 ASP A 51 4.378 7.112 -3.926 1.00 0.00 O ATOM 0 H ASP A 51 5.790 10.548 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 51 7.425 8.780 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.300 8.391 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.326 7.241 -4.030 1.00 0.00 H new ATOM 762 N ALA A 52 8.399 10.728 -4.480 1.00 0.00 N ATOM 763 CA ALA A 52 9.568 11.357 -5.075 1.00 0.00 C ATOM 764 C ALA A 52 9.225 12.772 -5.542 1.00 0.00 C ATOM 765 O ALA A 52 8.061 13.165 -5.544 1.00 0.00 O ATOM 766 CB ALA A 52 10.039 10.512 -6.257 1.00 0.00 C ATOM 0 H ALA A 52 7.519 11.178 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 52 10.364 11.424 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.915 10.976 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.297 9.512 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.241 10.445 -6.997 1.00 0.00 H new ATOM 772 N ALA A 53 10.236 13.545 -5.943 1.00 0.00 N ATOM 773 CA ALA A 53 10.018 14.887 -6.459 1.00 0.00 C ATOM 774 C ALA A 53 11.103 15.273 -7.464 1.00 0.00 C ATOM 775 O ALA A 53 12.180 14.677 -7.484 1.00 0.00 O ATOM 776 CB ALA A 53 9.998 15.879 -5.297 1.00 0.00 C ATOM 0 H ALA A 53 11.215 13.259 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 53 9.059 14.911 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.835 16.886 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.193 15.618 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.952 15.842 -4.770 1.00 0.00 H new ATOM 782 N ILE A 54 10.814 16.277 -8.296 1.00 0.00 N ATOM 783 CA ILE A 54 11.782 16.823 -9.237 1.00 0.00 C ATOM 784 C ILE A 54 11.973 18.299 -8.907 1.00 0.00 C ATOM 785 O ILE A 54 10.998 19.042 -8.818 1.00 0.00 O ATOM 786 CB ILE A 54 11.303 16.614 -10.677 1.00 0.00 C ATOM 787 CG1 ILE A 54 11.152 15.111 -10.948 1.00 0.00 C ATOM 788 CG2 ILE A 54 12.306 17.243 -11.651 1.00 0.00 C ATOM 789 CD1 ILE A 54 10.597 14.835 -12.347 1.00 0.00 C ATOM 0 H ILE A 54 9.901 16.731 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 54 12.740 16.310 -9.150 1.00 0.00 H new ATOM 0 HB ILE A 54 10.336 17.096 -10.820 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.121 14.624 -10.839 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.489 14.673 -10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.963 17.093 -12.674 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.388 18.311 -11.449 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.281 16.773 -11.523 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.506 13.759 -12.497 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.616 15.299 -12.447 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.273 15.250 -13.095 1.00 0.00 H new ATOM 801 N LEU A 55 13.230 18.719 -8.724 1.00 0.00 N ATOM 802 CA LEU A 55 13.557 20.056 -8.257 1.00 0.00 C ATOM 803 C LEU A 55 14.281 20.856 -9.337 1.00 0.00 C ATOM 804 O LEU A 55 15.245 20.381 -9.937 1.00 0.00 O ATOM 805 CB LEU A 55 14.443 19.968 -7.004 1.00 0.00 C ATOM 806 CG LEU A 55 13.708 19.652 -5.692 1.00 0.00 C ATOM 807 CD1 LEU A 55 12.789 20.805 -5.288 1.00 0.00 C ATOM 808 CD2 LEU A 55 12.884 18.370 -5.760 1.00 0.00 C ATOM 0 H LEU A 55 14.047 18.133 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 55 12.625 20.567 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.200 19.201 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.969 20.915 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 55 14.489 19.511 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.281 20.556 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.380 21.710 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.050 20.972 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.390 18.204 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.133 18.461 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.539 17.528 -5.982 1.00 0.00 H new ATOM 820 N ASP A 56 13.806 22.079 -9.572 1.00 0.00 N ATOM 821 CA ASP A 56 14.494 23.042 -10.416 1.00 0.00 C ATOM 822 C ASP A 56 15.586 23.715 -9.591 1.00 0.00 C ATOM 823 O ASP A 56 15.373 24.034 -8.421 1.00 0.00 O ATOM 824 CB ASP A 56 13.472 24.049 -10.936 1.00 0.00 C ATOM 825 CG ASP A 56 14.072 25.111 -11.854 1.00 0.00 C ATOM 826 OD1 ASP A 56 15.193 24.892 -12.367 1.00 0.00 O ATOM 827 OD2 ASP A 56 13.398 26.146 -12.041 1.00 0.00 O ATOM 0 H ASP A 56 12.931 22.426 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 56 14.963 22.560 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.690 23.515 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.995 24.541 -10.088 1.00 0.00 H new ATOM 832 N VAL A 57 16.760 23.936 -10.190 1.00 0.00 N ATOM 833 CA VAL A 57 17.877 24.548 -9.485 1.00 0.00 C ATOM 834 C VAL A 57 17.795 26.070 -9.564 1.00 0.00 C ATOM 835 O VAL A 57 18.457 26.775 -8.802 1.00 0.00 O ATOM 836 CB VAL A 57 19.198 24.018 -10.047 1.00 0.00 C ATOM 837 CG1 VAL A 57 20.385 24.482 -9.207 1.00 0.00 C ATOM 838 CG2 VAL A 57 19.202 22.487 -10.050 1.00 0.00 C ATOM 0 H VAL A 57 16.956 23.698 -11.162 1.00 0.00 H new ATOM 0 HA VAL A 57 17.828 24.279 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 57 19.290 24.405 -11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.308 24.088 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.423 25.571 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 57 20.272 24.118 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.149 22.126 -10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 57 19.078 22.121 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.382 22.122 -10.669 1.00 0.00 H new ATOM 848 N ASN A 58 16.982 26.591 -10.488 1.00 0.00 N ATOM 849 CA ASN A 58 16.806 28.025 -10.639 1.00 0.00 C ATOM 850 C ASN A 58 15.869 28.550 -9.549 1.00 0.00 C ATOM 851 O ASN A 58 14.918 27.872 -9.161 1.00 0.00 O ATOM 852 CB ASN A 58 16.271 28.326 -12.044 1.00 0.00 C ATOM 853 CG ASN A 58 16.310 29.812 -12.381 1.00 0.00 C ATOM 854 OD1 ASN A 58 16.918 30.608 -11.670 1.00 0.00 O ATOM 855 ND2 ASN A 58 15.659 30.197 -13.471 1.00 0.00 N ATOM 0 H ASN A 58 16.436 26.031 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 58 17.763 28.535 -10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.859 27.775 -12.778 1.00 0.00 H new ATOM 0 HB3 ASN A 58 15.245 27.966 -12.123 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.653 31.181 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.164 29.509 -14.039 1.00 0.00 H new ATOM 862 N LEU A 59 16.138 29.762 -9.054 1.00 0.00 N ATOM 863 CA LEU A 59 15.350 30.374 -7.995 1.00 0.00 C ATOM 864 C LEU A 59 15.466 31.897 -8.084 1.00 0.00 C ATOM 865 O LEU A 59 16.406 32.419 -8.681 1.00 0.00 O ATOM 866 CB LEU A 59 15.856 29.854 -6.642 1.00 0.00 C ATOM 867 CG LEU A 59 14.996 30.284 -5.451 1.00 0.00 C ATOM 868 CD1 LEU A 59 13.550 29.815 -5.601 1.00 0.00 C ATOM 869 CD2 LEU A 59 15.573 29.676 -4.175 1.00 0.00 C ATOM 0 H LEU A 59 16.911 30.342 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 59 14.297 30.112 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 59 15.896 28.765 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.876 30.206 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 59 15.004 31.373 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.971 30.139 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.121 30.243 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.525 28.727 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.966 29.978 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 59 15.570 28.589 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.596 30.027 -4.035 1.00 0.00 H new ATOM 881 N ARG A 60 14.509 32.615 -7.486 1.00 0.00 N ATOM 882 CA ARG A 60 14.510 34.071 -7.476 1.00 0.00 C ATOM 883 C ARG A 60 15.679 34.595 -6.642 1.00 0.00 C ATOM 884 O ARG A 60 16.128 33.925 -5.709 1.00 0.00 O ATOM 885 CB ARG A 60 13.159 34.569 -6.956 1.00 0.00 C ATOM 886 CG ARG A 60 13.038 36.090 -7.073 1.00 0.00 C ATOM 887 CD ARG A 60 11.642 36.557 -6.663 1.00 0.00 C ATOM 888 NE ARG A 60 11.368 36.260 -5.253 1.00 0.00 N ATOM 889 CZ ARG A 60 10.181 36.427 -4.668 1.00 0.00 C ATOM 890 NH1 ARG A 60 9.139 36.876 -5.365 1.00 0.00 N ATOM 891 NH2 ARG A 60 10.028 36.144 -3.377 1.00 0.00 N ATOM 0 H ARG A 60 13.716 32.198 -6.998 1.00 0.00 H new ATOM 0 HA ARG A 60 14.646 34.453 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.355 34.095 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.037 34.273 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.786 36.568 -6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.243 36.398 -8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.551 37.630 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.895 36.070 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 60 12.135 35.903 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.244 37.096 -6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.235 37.000 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.819 35.799 -2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.120 36.272 -2.931 1.00 0.00 H new ATOM 905 N GLY A 61 16.166 35.792 -6.976 1.00 0.00 N ATOM 906 CA GLY A 61 17.277 36.415 -6.272 1.00 0.00 C ATOM 907 C GLY A 61 18.621 35.845 -6.719 1.00 0.00 C ATOM 908 O GLY A 61 18.708 35.145 -7.728 1.00 0.00 O ATOM 0 H GLY A 61 15.797 36.353 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.262 37.491 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.157 36.266 -5.199 1.00 0.00 H new ATOM 912 N GLY A 62 19.679 36.148 -5.960 1.00 0.00 N ATOM 913 CA GLY A 62 21.033 35.707 -6.266 1.00 0.00 C ATOM 914 C GLY A 62 21.295 34.259 -5.849 1.00 0.00 C ATOM 915 O GLY A 62 22.422 33.781 -5.987 1.00 0.00 O ATOM 0 H GLY A 62 19.614 36.710 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 62 21.210 35.809 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 62 21.745 36.360 -5.761 1.00 0.00 H new ATOM 919 N GLU A 63 20.278 33.557 -5.341 1.00 0.00 N ATOM 920 CA GLU A 63 20.429 32.179 -4.896 1.00 0.00 C ATOM 921 C GLU A 63 20.554 31.234 -6.096 1.00 0.00 C ATOM 922 O GLU A 63 20.044 31.526 -7.176 1.00 0.00 O ATOM 923 CB GLU A 63 19.249 31.817 -3.989 1.00 0.00 C ATOM 924 CG GLU A 63 19.416 30.444 -3.331 1.00 0.00 C ATOM 925 CD GLU A 63 20.699 30.370 -2.505 1.00 0.00 C ATOM 926 OE1 GLU A 63 20.639 30.722 -1.306 1.00 0.00 O ATOM 927 OE2 GLU A 63 21.730 29.959 -3.080 1.00 0.00 O ATOM 0 H GLU A 63 19.335 33.930 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 63 21.348 32.071 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.143 32.577 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.329 31.827 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.558 30.240 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.432 29.671 -4.099 1.00 0.00 H new ATOM 934 N LYS A 64 21.234 30.097 -5.902 1.00 0.00 N ATOM 935 CA LYS A 64 21.512 29.144 -6.970 1.00 0.00 C ATOM 936 C LYS A 64 21.203 27.706 -6.548 1.00 0.00 C ATOM 937 O LYS A 64 21.633 26.763 -7.213 1.00 0.00 O ATOM 938 CB LYS A 64 22.972 29.279 -7.419 1.00 0.00 C ATOM 939 CG LYS A 64 23.262 30.687 -7.941 1.00 0.00 C ATOM 940 CD LYS A 64 24.715 30.771 -8.410 1.00 0.00 C ATOM 941 CE LYS A 64 25.011 32.179 -8.919 1.00 0.00 C ATOM 942 NZ LYS A 64 26.405 32.298 -9.381 1.00 0.00 N ATOM 0 H LYS A 64 21.606 29.816 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 64 20.856 29.376 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 23.635 29.055 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 23.184 28.548 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.589 30.926 -8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 64 23.079 31.421 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 25.387 30.522 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.895 30.043 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 64 24.332 32.423 -9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 64 24.826 32.902 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.577 33.266 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 27.051 32.088 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.573 31.624 -10.155 1.00 0.00 H new ATOM 956 N SER A 65 20.460 27.528 -5.450 1.00 0.00 N ATOM 957 CA SER A 65 20.094 26.212 -4.947 1.00 0.00 C ATOM 958 C SER A 65 18.762 26.273 -4.205 1.00 0.00 C ATOM 959 O SER A 65 18.178 27.346 -4.053 1.00 0.00 O ATOM 960 CB SER A 65 21.198 25.704 -4.015 1.00 0.00 C ATOM 961 OG SER A 65 21.316 26.555 -2.893 1.00 0.00 O ATOM 0 H SER A 65 20.098 28.299 -4.888 1.00 0.00 H new ATOM 0 HA SER A 65 19.983 25.526 -5.787 1.00 0.00 H new ATOM 0 HB2 SER A 65 20.971 24.689 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.146 25.662 -4.551 1.00 0.00 H new ATOM 0 HG SER A 65 22.023 26.221 -2.302 1.00 0.00 H new ATOM 967 N THR A 66 18.278 25.118 -3.740 1.00 0.00 N ATOM 968 CA THR A 66 17.033 25.034 -2.988 1.00 0.00 C ATOM 969 C THR A 66 17.192 24.087 -1.802 1.00 0.00 C ATOM 970 O THR A 66 17.804 23.027 -1.934 1.00 0.00 O ATOM 971 CB THR A 66 15.885 24.596 -3.905 1.00 0.00 C ATOM 972 OG1 THR A 66 14.724 24.397 -3.131 1.00 0.00 O ATOM 973 CG2 THR A 66 16.196 23.294 -4.645 1.00 0.00 C ATOM 0 H THR A 66 18.741 24.219 -3.876 1.00 0.00 H new ATOM 0 HA THR A 66 16.789 26.021 -2.596 1.00 0.00 H new ATOM 0 HB THR A 66 15.742 25.384 -4.645 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.987 24.118 -3.713 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.352 23.027 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.086 23.429 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 66 16.372 22.498 -3.922 1.00 0.00 H new ATOM 981 N PRO A 67 16.648 24.456 -0.633 1.00 0.00 N ATOM 982 CA PRO A 67 16.711 23.649 0.573 1.00 0.00 C ATOM 983 C PRO A 67 15.665 22.533 0.557 1.00 0.00 C ATOM 984 O PRO A 67 15.690 21.655 1.420 1.00 0.00 O ATOM 985 CB PRO A 67 16.426 24.635 1.701 1.00 0.00 C ATOM 986 CG PRO A 67 15.427 25.597 1.054 1.00 0.00 C ATOM 987 CD PRO A 67 15.945 25.704 -0.380 1.00 0.00 C ATOM 0 HA PRO A 67 17.675 23.151 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.005 24.140 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.330 25.148 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.409 25.208 1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.415 26.566 1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.125 25.842 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.611 26.560 -0.494 1.00 0.00 H new ATOM 995 N VAL A 68 14.745 22.552 -0.412 1.00 0.00 N ATOM 996 CA VAL A 68 13.662 21.582 -0.464 1.00 0.00 C ATOM 997 C VAL A 68 14.194 20.188 -0.777 1.00 0.00 C ATOM 998 O VAL A 68 13.605 19.196 -0.359 1.00 0.00 O ATOM 999 CB VAL A 68 12.638 22.016 -1.520 1.00 0.00 C ATOM 1000 CG1 VAL A 68 11.468 21.034 -1.595 1.00 0.00 C ATOM 1001 CG2 VAL A 68 12.076 23.394 -1.169 1.00 0.00 C ATOM 0 H VAL A 68 14.734 23.234 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 68 13.178 21.542 0.512 1.00 0.00 H new ATOM 0 HB VAL A 68 13.152 22.042 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.760 21.369 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.840 20.044 -1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.969 20.988 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.350 23.694 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.589 23.351 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.888 24.121 -1.137 1.00 0.00 H new ATOM 1011 N ALA A 69 15.308 20.101 -1.507 1.00 0.00 N ATOM 1012 CA ALA A 69 15.865 18.814 -1.884 1.00 0.00 C ATOM 1013 C ALA A 69 16.351 18.055 -0.649 1.00 0.00 C ATOM 1014 O ALA A 69 16.127 16.855 -0.534 1.00 0.00 O ATOM 1015 CB ALA A 69 17.017 19.046 -2.860 1.00 0.00 C ATOM 0 H ALA A 69 15.835 20.906 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 69 15.096 18.209 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.445 18.087 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.645 19.562 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 69 17.783 19.655 -2.380 1.00 0.00 H new ATOM 1021 N GLU A 70 17.015 18.750 0.277 1.00 0.00 N ATOM 1022 CA GLU A 70 17.536 18.109 1.473 1.00 0.00 C ATOM 1023 C GLU A 70 16.466 18.004 2.559 1.00 0.00 C ATOM 1024 O GLU A 70 16.616 17.220 3.494 1.00 0.00 O ATOM 1025 CB GLU A 70 18.792 18.837 1.950 1.00 0.00 C ATOM 1026 CG GLU A 70 19.896 18.658 0.907 1.00 0.00 C ATOM 1027 CD GLU A 70 21.226 19.205 1.416 1.00 0.00 C ATOM 1028 OE1 GLU A 70 21.606 20.316 0.990 1.00 0.00 O ATOM 1029 OE2 GLU A 70 21.858 18.503 2.234 1.00 0.00 O ATOM 0 H GLU A 70 17.201 19.751 0.217 1.00 0.00 H new ATOM 0 HA GLU A 70 17.822 17.085 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 70 18.581 19.896 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 70 19.115 18.440 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.003 17.601 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.617 19.170 -0.014 1.00 0.00 H new ATOM 1036 N ALA A 71 15.383 18.781 2.451 1.00 0.00 N ATOM 1037 CA ALA A 71 14.255 18.623 3.351 1.00 0.00 C ATOM 1038 C ALA A 71 13.528 17.322 3.017 1.00 0.00 C ATOM 1039 O ALA A 71 13.009 16.645 3.903 1.00 0.00 O ATOM 1040 CB ALA A 71 13.324 19.825 3.199 1.00 0.00 C ATOM 0 H ALA A 71 15.272 19.517 1.753 1.00 0.00 H new ATOM 0 HA ALA A 71 14.595 18.575 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.474 19.714 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.865 20.738 3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.968 19.881 2.170 1.00 0.00 H new ATOM 1046 N LEU A 72 13.495 16.968 1.729 1.00 0.00 N ATOM 1047 CA LEU A 72 12.932 15.700 1.300 1.00 0.00 C ATOM 1048 C LEU A 72 13.883 14.566 1.670 1.00 0.00 C ATOM 1049 O LEU A 72 13.436 13.443 1.890 1.00 0.00 O ATOM 1050 CB LEU A 72 12.689 15.735 -0.213 1.00 0.00 C ATOM 1051 CG LEU A 72 11.530 16.666 -0.588 1.00 0.00 C ATOM 1052 CD1 LEU A 72 11.456 16.761 -2.109 1.00 0.00 C ATOM 1053 CD2 LEU A 72 10.195 16.133 -0.072 1.00 0.00 C ATOM 0 H LEU A 72 13.854 17.548 0.970 1.00 0.00 H new ATOM 0 HA LEU A 72 11.980 15.529 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.597 16.065 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.474 14.727 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 72 11.712 17.641 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.636 17.420 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.394 17.161 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.286 15.769 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.396 16.818 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.003 15.152 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.232 16.049 1.014 1.00 0.00 H new ATOM 1065 N ALA A 73 15.188 14.845 1.747 1.00 0.00 N ATOM 1066 CA ALA A 73 16.159 13.840 2.146 1.00 0.00 C ATOM 1067 C ALA A 73 16.007 13.520 3.634 1.00 0.00 C ATOM 1068 O ALA A 73 16.407 12.444 4.076 1.00 0.00 O ATOM 1069 CB ALA A 73 17.569 14.352 1.841 1.00 0.00 C ATOM 0 H ALA A 73 15.589 15.759 1.537 1.00 0.00 H new ATOM 0 HA ALA A 73 15.986 12.922 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.301 13.601 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.662 14.546 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.749 15.274 2.394 1.00 0.00 H new ATOM 1075 N ALA A 74 15.428 14.445 4.408 1.00 0.00 N ATOM 1076 CA ALA A 74 15.129 14.213 5.813 1.00 0.00 C ATOM 1077 C ALA A 74 13.832 13.419 5.956 1.00 0.00 C ATOM 1078 O ALA A 74 13.597 12.792 6.988 1.00 0.00 O ATOM 1079 CB ALA A 74 15.040 15.561 6.529 1.00 0.00 C ATOM 0 H ALA A 74 15.157 15.370 4.073 1.00 0.00 H new ATOM 0 HA ALA A 74 15.923 13.623 6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.816 15.399 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.991 16.086 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.249 16.161 6.078 1.00 0.00 H new ATOM 1085 N ARG A 75 12.990 13.444 4.914 1.00 0.00 N ATOM 1086 CA ARG A 75 11.778 12.635 4.829 1.00 0.00 C ATOM 1087 C ARG A 75 12.045 11.316 4.105 1.00 0.00 C ATOM 1088 O ARG A 75 11.108 10.578 3.810 1.00 0.00 O ATOM 1089 CB ARG A 75 10.666 13.427 4.132 1.00 0.00 C ATOM 1090 CG ARG A 75 10.293 14.702 4.899 1.00 0.00 C ATOM 1091 CD ARG A 75 9.780 14.400 6.309 1.00 0.00 C ATOM 1092 NE ARG A 75 8.588 13.546 6.278 1.00 0.00 N ATOM 1093 CZ ARG A 75 8.009 13.035 7.368 1.00 0.00 C ATOM 1094 NH1 ARG A 75 8.494 13.288 8.580 1.00 0.00 N ATOM 1095 NH2 ARG A 75 6.937 12.261 7.248 1.00 0.00 N ATOM 0 H ARG A 75 13.139 14.037 4.097 1.00 0.00 H new ATOM 0 HA ARG A 75 11.453 12.393 5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.988 13.692 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.783 12.796 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.165 15.353 4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.528 15.247 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.565 13.910 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.546 15.334 6.820 1.00 0.00 H new ATOM 0 HE ARG A 75 8.177 13.329 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.318 13.879 8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.042 12.891 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.556 12.057 6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.494 11.870 8.080 1.00 0.00 H new ATOM 1109 N ASP A 76 13.317 11.019 3.814 1.00 0.00 N ATOM 1110 CA ASP A 76 13.733 9.824 3.094 1.00 0.00 C ATOM 1111 C ASP A 76 13.099 9.717 1.701 1.00 0.00 C ATOM 1112 O ASP A 76 12.891 8.619 1.187 1.00 0.00 O ATOM 1113 CB ASP A 76 13.530 8.582 3.967 1.00 0.00 C ATOM 1114 CG ASP A 76 14.224 7.352 3.384 1.00 0.00 C ATOM 1115 OD1 ASP A 76 13.572 6.285 3.346 1.00 0.00 O ATOM 1116 OD2 ASP A 76 15.402 7.486 2.982 1.00 0.00 O ATOM 0 H ASP A 76 14.097 11.619 4.081 1.00 0.00 H new ATOM 0 HA ASP A 76 14.802 9.901 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.916 8.776 4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.464 8.382 4.070 1.00 0.00 H new ATOM 1121 N ILE A 77 12.787 10.863 1.090 1.00 0.00 N ATOM 1122 CA ILE A 77 12.228 10.932 -0.255 1.00 0.00 C ATOM 1123 C ILE A 77 13.334 11.308 -1.250 1.00 0.00 C ATOM 1124 O ILE A 77 14.037 12.295 -1.036 1.00 0.00 O ATOM 1125 CB ILE A 77 11.078 11.950 -0.277 1.00 0.00 C ATOM 1126 CG1 ILE A 77 9.933 11.451 0.615 1.00 0.00 C ATOM 1127 CG2 ILE A 77 10.576 12.165 -1.707 1.00 0.00 C ATOM 1128 CD1 ILE A 77 8.797 12.469 0.718 1.00 0.00 C ATOM 0 H ILE A 77 12.918 11.777 1.523 1.00 0.00 H new ATOM 0 HA ILE A 77 11.827 9.962 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 77 11.444 12.903 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.544 10.514 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.318 11.236 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.762 12.889 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.391 12.540 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.218 11.219 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.010 12.072 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.178 13.397 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.392 12.664 -0.275 1.00 0.00 H new ATOM 1140 N PRO A 78 13.500 10.537 -2.337 1.00 0.00 N ATOM 1141 CA PRO A 78 14.497 10.793 -3.363 1.00 0.00 C ATOM 1142 C PRO A 78 14.112 11.984 -4.236 1.00 0.00 C ATOM 1143 O PRO A 78 12.935 12.329 -4.350 1.00 0.00 O ATOM 1144 CB PRO A 78 14.552 9.503 -4.187 1.00 0.00 C ATOM 1145 CG PRO A 78 13.120 8.980 -4.080 1.00 0.00 C ATOM 1146 CD PRO A 78 12.740 9.344 -2.648 1.00 0.00 C ATOM 0 HA PRO A 78 15.464 11.048 -2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.838 9.694 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.274 8.794 -3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.460 9.453 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.067 7.905 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.669 9.527 -2.561 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.982 8.534 -1.960 1.00 0.00 H new ATOM 1154 N PHE A 79 15.114 12.615 -4.857 1.00 0.00 N ATOM 1155 CA PHE A 79 14.900 13.772 -5.713 1.00 0.00 C ATOM 1156 C PHE A 79 15.921 13.816 -6.847 1.00 0.00 C ATOM 1157 O PHE A 79 16.919 13.094 -6.829 1.00 0.00 O ATOM 1158 CB PHE A 79 14.977 15.046 -4.874 1.00 0.00 C ATOM 1159 CG PHE A 79 16.322 15.283 -4.226 1.00 0.00 C ATOM 1160 CD1 PHE A 79 16.520 14.945 -2.879 1.00 0.00 C ATOM 1161 CD2 PHE A 79 17.376 15.843 -4.965 1.00 0.00 C ATOM 1162 CE1 PHE A 79 17.759 15.184 -2.268 1.00 0.00 C ATOM 1163 CE2 PHE A 79 18.620 16.067 -4.357 1.00 0.00 C ATOM 1164 CZ PHE A 79 18.806 15.744 -3.005 1.00 0.00 C ATOM 0 H PHE A 79 16.091 12.334 -4.777 1.00 0.00 H new ATOM 0 HA PHE A 79 13.911 13.695 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.737 15.900 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 79 14.215 15.002 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 79 15.716 14.500 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 79 17.229 16.102 -6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 79 17.904 14.935 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.434 16.488 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 79 19.760 15.928 -2.533 1.00 0.00 H new ATOM 1174 N VAL A 80 15.660 14.674 -7.837 1.00 0.00 N ATOM 1175 CA VAL A 80 16.526 14.877 -8.993 1.00 0.00 C ATOM 1176 C VAL A 80 16.589 16.366 -9.317 1.00 0.00 C ATOM 1177 O VAL A 80 15.600 17.076 -9.144 1.00 0.00 O ATOM 1178 CB VAL A 80 15.986 14.082 -10.187 1.00 0.00 C ATOM 1179 CG1 VAL A 80 16.785 14.370 -11.456 1.00 0.00 C ATOM 1180 CG2 VAL A 80 16.058 12.581 -9.904 1.00 0.00 C ATOM 0 H VAL A 80 14.823 15.257 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 80 17.533 14.523 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 80 14.951 14.390 -10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 80 16.376 13.790 -12.283 1.00 0.00 H new ATOM 0 HG12 VAL A 80 16.723 15.432 -11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 80 17.828 14.093 -11.300 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.671 12.030 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.094 12.294 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.460 12.348 -9.023 1.00 0.00 H new ATOM 1190 N PHE A 81 17.747 16.839 -9.789 1.00 0.00 N ATOM 1191 CA PHE A 81 17.924 18.230 -10.176 1.00 0.00 C ATOM 1192 C PHE A 81 17.721 18.398 -11.681 1.00 0.00 C ATOM 1193 O PHE A 81 17.979 17.475 -12.453 1.00 0.00 O ATOM 1194 CB PHE A 81 19.322 18.719 -9.793 1.00 0.00 C ATOM 1195 CG PHE A 81 19.625 18.772 -8.310 1.00 0.00 C ATOM 1196 CD1 PHE A 81 20.878 18.348 -7.848 1.00 0.00 C ATOM 1197 CD2 PHE A 81 18.673 19.254 -7.399 1.00 0.00 C ATOM 1198 CE1 PHE A 81 21.179 18.404 -6.480 1.00 0.00 C ATOM 1199 CE2 PHE A 81 18.975 19.312 -6.032 1.00 0.00 C ATOM 1200 CZ PHE A 81 20.228 18.888 -5.571 1.00 0.00 C ATOM 0 H PHE A 81 18.582 16.265 -9.911 1.00 0.00 H new ATOM 0 HA PHE A 81 17.179 18.825 -9.647 1.00 0.00 H new ATOM 0 HB2 PHE A 81 20.056 18.069 -10.270 1.00 0.00 H new ATOM 0 HB3 PHE A 81 19.462 19.717 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 81 21.613 17.977 -8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.706 19.581 -7.752 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.145 18.074 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.241 19.684 -5.333 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.461 18.934 -4.517 1.00 0.00 H new ATOM 1210 N ALA A 82 17.263 19.582 -12.099 1.00 0.00 N ATOM 1211 CA ALA A 82 17.122 19.908 -13.508 1.00 0.00 C ATOM 1212 C ALA A 82 17.486 21.372 -13.745 1.00 0.00 C ATOM 1213 O ALA A 82 16.856 22.266 -13.183 1.00 0.00 O ATOM 1214 CB ALA A 82 15.690 19.618 -13.960 1.00 0.00 C ATOM 0 H ALA A 82 16.983 20.333 -11.468 1.00 0.00 H new ATOM 0 HA ALA A 82 17.802 19.291 -14.095 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.585 19.863 -15.017 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.468 18.562 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.995 20.222 -13.377 1.00 0.00 H new ATOM 1220 N THR A 83 18.503 21.608 -14.577 1.00 0.00 N ATOM 1221 CA THR A 83 18.950 22.950 -14.931 1.00 0.00 C ATOM 1222 C THR A 83 19.991 22.894 -16.050 1.00 0.00 C ATOM 1223 O THR A 83 20.568 21.839 -16.311 1.00 0.00 O ATOM 1224 CB THR A 83 19.553 23.634 -13.701 1.00 0.00 C ATOM 1225 OG1 THR A 83 19.837 24.979 -13.998 1.00 0.00 O ATOM 1226 CG2 THR A 83 20.838 22.943 -13.244 1.00 0.00 C ATOM 0 H THR A 83 19.041 20.866 -15.025 1.00 0.00 H new ATOM 0 HA THR A 83 18.091 23.521 -15.283 1.00 0.00 H new ATOM 0 HB THR A 83 18.822 23.569 -12.895 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.221 25.414 -13.208 1.00 0.00 H new ATOM 0 HG21 THR A 83 21.236 23.457 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 83 20.622 21.906 -12.988 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.573 22.973 -14.048 1.00 0.00 H new ATOM 1234 N GLY A 84 20.234 24.030 -16.707 1.00 0.00 N ATOM 1235 CA GLY A 84 21.298 24.144 -17.691 1.00 0.00 C ATOM 1236 C GLY A 84 22.596 24.564 -17.005 1.00 0.00 C ATOM 1237 O GLY A 84 22.564 25.303 -16.019 1.00 0.00 O ATOM 0 H GLY A 84 19.700 24.888 -16.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.438 23.191 -18.201 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.025 24.875 -18.452 1.00 0.00 H new ATOM 1241 N GLY A 85 23.740 24.104 -17.515 1.00 0.00 N ATOM 1242 CA GLY A 85 25.027 24.430 -16.917 1.00 0.00 C ATOM 1243 C GLY A 85 26.104 23.426 -17.309 1.00 0.00 C ATOM 1244 O GLY A 85 26.021 22.786 -18.358 1.00 0.00 O ATOM 0 H GLY A 85 23.797 23.506 -18.339 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.330 25.429 -17.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.928 24.452 -15.832 1.00 0.00 H new ATOM 1248 N SER A 86 27.119 23.302 -16.451 1.00 0.00 N ATOM 1249 CA SER A 86 28.252 22.413 -16.659 1.00 0.00 C ATOM 1250 C SER A 86 28.606 21.704 -15.355 1.00 0.00 C ATOM 1251 O SER A 86 28.100 22.061 -14.292 1.00 0.00 O ATOM 1252 CB SER A 86 29.432 23.231 -17.185 1.00 0.00 C ATOM 1253 OG SER A 86 30.523 22.386 -17.481 1.00 0.00 O ATOM 0 H SER A 86 27.173 23.828 -15.579 1.00 0.00 H new ATOM 0 HA SER A 86 27.999 21.648 -17.393 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.134 23.778 -18.080 1.00 0.00 H new ATOM 0 HB3 SER A 86 29.729 23.972 -16.443 1.00 0.00 H new ATOM 0 HG SER A 86 31.270 22.923 -17.818 1.00 0.00 H new ATOM 1259 N ASP A 87 29.482 20.697 -15.430 1.00 0.00 N ATOM 1260 CA ASP A 87 29.880 19.909 -14.270 1.00 0.00 C ATOM 1261 C ASP A 87 30.710 20.739 -13.286 1.00 0.00 C ATOM 1262 O ASP A 87 30.947 20.314 -12.156 1.00 0.00 O ATOM 1263 CB ASP A 87 30.666 18.693 -14.761 1.00 0.00 C ATOM 1264 CG ASP A 87 30.995 17.729 -13.624 1.00 0.00 C ATOM 1265 OD1 ASP A 87 32.191 17.638 -13.267 1.00 0.00 O ATOM 1266 OD2 ASP A 87 30.044 17.089 -13.122 1.00 0.00 O ATOM 0 H ASP A 87 29.932 20.409 -16.299 1.00 0.00 H new ATOM 0 HA ASP A 87 28.991 19.583 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 87 30.088 18.171 -15.523 1.00 0.00 H new ATOM 0 HB3 ASP A 87 31.590 19.025 -15.234 1.00 0.00 H new ATOM 1271 N ASP A 88 31.153 21.927 -13.713 1.00 0.00 N ATOM 1272 CA ASP A 88 31.930 22.838 -12.884 1.00 0.00 C ATOM 1273 C ASP A 88 31.055 23.967 -12.326 1.00 0.00 C ATOM 1274 O ASP A 88 31.526 24.788 -11.541 1.00 0.00 O ATOM 1275 CB ASP A 88 33.097 23.380 -13.715 1.00 0.00 C ATOM 1276 CG ASP A 88 34.058 24.217 -12.875 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.633 23.645 -11.921 1.00 0.00 O ATOM 1278 OD2 ASP A 88 34.209 25.420 -13.191 1.00 0.00 O ATOM 0 H ASP A 88 30.977 22.281 -14.653 1.00 0.00 H new ATOM 0 HA ASP A 88 32.325 22.302 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.639 22.548 -14.164 1.00 0.00 H new ATOM 0 HB3 ASP A 88 32.708 23.986 -14.533 1.00 0.00 H new ATOM 1283 N SER A 89 29.780 24.015 -12.729 1.00 0.00 N ATOM 1284 CA SER A 89 28.839 25.033 -12.278 1.00 0.00 C ATOM 1285 C SER A 89 28.051 24.560 -11.059 1.00 0.00 C ATOM 1286 O SER A 89 27.179 25.281 -10.570 1.00 0.00 O ATOM 1287 CB SER A 89 27.900 25.415 -13.419 1.00 0.00 C ATOM 1288 OG SER A 89 28.643 25.848 -14.538 1.00 0.00 O ATOM 0 H SER A 89 29.375 23.343 -13.381 1.00 0.00 H new ATOM 0 HA SER A 89 29.404 25.915 -11.977 1.00 0.00 H new ATOM 0 HB2 SER A 89 27.282 24.560 -13.693 1.00 0.00 H new ATOM 0 HB3 SER A 89 27.224 26.206 -13.094 1.00 0.00 H new ATOM 0 HG SER A 89 28.030 26.089 -15.264 1.00 0.00 H new ATOM 1294 N VAL A 90 28.352 23.355 -10.567 1.00 0.00 N ATOM 1295 CA VAL A 90 27.688 22.757 -9.416 1.00 0.00 C ATOM 1296 C VAL A 90 28.700 22.061 -8.511 1.00 0.00 C ATOM 1297 O VAL A 90 29.765 21.643 -8.961 1.00 0.00 O ATOM 1298 CB VAL A 90 26.609 21.760 -9.853 1.00 0.00 C ATOM 1299 CG1 VAL A 90 25.415 22.458 -10.501 1.00 0.00 C ATOM 1300 CG2 VAL A 90 27.169 20.716 -10.819 1.00 0.00 C ATOM 0 H VAL A 90 29.078 22.761 -10.968 1.00 0.00 H new ATOM 0 HA VAL A 90 27.208 23.562 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 90 26.269 21.260 -8.946 1.00 0.00 H new ATOM 0 HG11 VAL A 90 24.675 21.714 -10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 90 24.969 23.152 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 90 25.748 23.007 -11.382 1.00 0.00 H new ATOM 0 HG21 VAL A 90 26.377 20.026 -11.108 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.558 21.214 -11.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 27.972 20.163 -10.332 1.00 0.00 H new ATOM 1310 N ASP A 91 28.358 21.937 -7.227 1.00 0.00 N ATOM 1311 CA ASP A 91 29.202 21.274 -6.242 1.00 0.00 C ATOM 1312 C ASP A 91 28.919 19.769 -6.179 1.00 0.00 C ATOM 1313 O ASP A 91 28.102 19.238 -6.934 1.00 0.00 O ATOM 1314 CB ASP A 91 29.045 21.968 -4.886 1.00 0.00 C ATOM 1315 CG ASP A 91 27.611 21.912 -4.373 1.00 0.00 C ATOM 1316 OD1 ASP A 91 26.999 22.995 -4.238 1.00 0.00 O ATOM 1317 OD2 ASP A 91 27.141 20.780 -4.121 1.00 0.00 O ATOM 0 H ASP A 91 27.484 22.296 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 91 30.246 21.363 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 91 29.707 21.497 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 91 29.357 23.009 -4.974 1.00 0.00 H new ATOM 1322 N SER A 92 29.606 19.073 -5.268 1.00 0.00 N ATOM 1323 CA SER A 92 29.573 17.620 -5.175 1.00 0.00 C ATOM 1324 C SER A 92 28.187 17.052 -4.868 1.00 0.00 C ATOM 1325 O SER A 92 27.973 15.856 -5.066 1.00 0.00 O ATOM 1326 CB SER A 92 30.564 17.173 -4.103 1.00 0.00 C ATOM 1327 OG SER A 92 30.209 17.732 -2.852 1.00 0.00 O ATOM 0 H SER A 92 30.205 19.512 -4.569 1.00 0.00 H new ATOM 0 HA SER A 92 29.847 17.230 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 92 30.573 16.085 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.572 17.483 -4.376 1.00 0.00 H new ATOM 0 HG SER A 92 30.848 17.439 -2.170 1.00 0.00 H new ATOM 1333 N ARG A 93 27.237 17.864 -4.391 1.00 0.00 N ATOM 1334 CA ARG A 93 25.903 17.361 -4.080 1.00 0.00 C ATOM 1335 C ARG A 93 25.124 17.092 -5.363 1.00 0.00 C ATOM 1336 O ARG A 93 24.298 16.181 -5.413 1.00 0.00 O ATOM 1337 CB ARG A 93 25.158 18.365 -3.199 1.00 0.00 C ATOM 1338 CG ARG A 93 25.927 18.715 -1.921 1.00 0.00 C ATOM 1339 CD ARG A 93 26.214 17.490 -1.049 1.00 0.00 C ATOM 1340 NE ARG A 93 24.983 16.800 -0.647 1.00 0.00 N ATOM 1341 CZ ARG A 93 24.098 17.278 0.234 1.00 0.00 C ATOM 1342 NH1 ARG A 93 24.275 18.460 0.818 1.00 0.00 N ATOM 1343 NH2 ARG A 93 23.017 16.570 0.545 1.00 0.00 N ATOM 0 H ARG A 93 27.368 18.860 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 93 25.998 16.422 -3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 93 24.975 19.276 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 93 24.184 17.955 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 93 26.869 19.194 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 93 25.353 19.440 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 93 26.855 16.798 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 93 26.763 17.799 -0.160 1.00 0.00 H new ATOM 0 HE ARG A 93 24.789 15.892 -1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.098 19.020 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.588 18.806 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.861 15.660 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.343 16.937 1.217 1.00 0.00 H new ATOM 1357 N PHE A 94 25.390 17.879 -6.410 1.00 0.00 N ATOM 1358 CA PHE A 94 24.757 17.702 -7.705 1.00 0.00 C ATOM 1359 C PHE A 94 25.481 16.609 -8.485 1.00 0.00 C ATOM 1360 O PHE A 94 24.905 16.009 -9.388 1.00 0.00 O ATOM 1361 CB PHE A 94 24.820 19.008 -8.491 1.00 0.00 C ATOM 1362 CG PHE A 94 24.169 20.194 -7.811 1.00 0.00 C ATOM 1363 CD1 PHE A 94 24.819 20.837 -6.747 1.00 0.00 C ATOM 1364 CD2 PHE A 94 22.923 20.658 -8.255 1.00 0.00 C ATOM 1365 CE1 PHE A 94 24.214 21.930 -6.116 1.00 0.00 C ATOM 1366 CE2 PHE A 94 22.318 21.753 -7.623 1.00 0.00 C ATOM 1367 CZ PHE A 94 22.963 22.388 -6.554 1.00 0.00 C ATOM 0 H PHE A 94 26.051 18.655 -6.376 1.00 0.00 H new ATOM 0 HA PHE A 94 23.716 17.416 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 94 25.865 19.248 -8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 94 24.343 18.856 -9.459 1.00 0.00 H new ATOM 0 HD1 PHE A 94 25.786 20.489 -6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 94 22.429 20.172 -9.084 1.00 0.00 H new ATOM 0 HE1 PHE A 94 24.711 22.421 -5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 94 21.355 22.107 -7.960 1.00 0.00 H new ATOM 0 HZ PHE A 94 22.496 23.231 -6.067 1.00 0.00 H new ATOM 1377 N ARG A 95 26.745 16.354 -8.133 1.00 0.00 N ATOM 1378 CA ARG A 95 27.532 15.303 -8.760 1.00 0.00 C ATOM 1379 C ARG A 95 27.340 13.967 -8.041 1.00 0.00 C ATOM 1380 O ARG A 95 27.850 12.945 -8.498 1.00 0.00 O ATOM 1381 CB ARG A 95 28.996 15.740 -8.844 1.00 0.00 C ATOM 1382 CG ARG A 95 29.081 17.055 -9.626 1.00 0.00 C ATOM 1383 CD ARG A 95 30.528 17.415 -9.957 1.00 0.00 C ATOM 1384 NE ARG A 95 31.316 17.704 -8.751 1.00 0.00 N ATOM 1385 CZ ARG A 95 32.060 18.801 -8.578 1.00 0.00 C ATOM 1386 NH1 ARG A 95 32.136 19.740 -9.516 1.00 0.00 N ATOM 1387 NH2 ARG A 95 32.739 18.964 -7.448 1.00 0.00 N ATOM 0 H ARG A 95 27.244 16.871 -7.409 1.00 0.00 H new ATOM 0 HA ARG A 95 27.182 15.141 -9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 95 29.408 15.870 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 95 29.591 14.970 -9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 95 28.506 16.969 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 95 28.630 17.857 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 95 30.990 16.592 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 95 30.543 18.283 -10.616 1.00 0.00 H new ATOM 0 HE ARG A 95 31.294 17.021 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 95 31.620 19.631 -10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 95 32.710 20.569 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 95 32.691 18.254 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 95 33.308 19.799 -7.311 1.00 0.00 H new ATOM 1401 N ASP A 96 26.607 13.968 -6.922 1.00 0.00 N ATOM 1402 CA ASP A 96 26.262 12.758 -6.186 1.00 0.00 C ATOM 1403 C ASP A 96 24.797 12.374 -6.411 1.00 0.00 C ATOM 1404 O ASP A 96 24.406 11.238 -6.134 1.00 0.00 O ATOM 1405 CB ASP A 96 26.565 12.981 -4.703 1.00 0.00 C ATOM 1406 CG ASP A 96 26.315 11.724 -3.876 1.00 0.00 C ATOM 1407 OD1 ASP A 96 25.400 11.768 -3.022 1.00 0.00 O ATOM 1408 OD2 ASP A 96 27.041 10.730 -4.104 1.00 0.00 O ATOM 0 H ASP A 96 26.235 14.820 -6.502 1.00 0.00 H new ATOM 0 HA ASP A 96 26.862 11.925 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.604 13.291 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 96 25.946 13.794 -4.324 1.00 0.00 H new ATOM 1413 N ARG A 97 23.987 13.314 -6.911 1.00 0.00 N ATOM 1414 CA ARG A 97 22.589 13.074 -7.255 1.00 0.00 C ATOM 1415 C ARG A 97 22.411 13.093 -8.774 1.00 0.00 C ATOM 1416 O ARG A 97 23.245 13.662 -9.475 1.00 0.00 O ATOM 1417 CB ARG A 97 21.706 14.135 -6.590 1.00 0.00 C ATOM 1418 CG ARG A 97 21.732 14.039 -5.062 1.00 0.00 C ATOM 1419 CD ARG A 97 21.060 12.754 -4.582 1.00 0.00 C ATOM 1420 NE ARG A 97 20.994 12.707 -3.117 1.00 0.00 N ATOM 1421 CZ ARG A 97 20.186 11.899 -2.429 1.00 0.00 C ATOM 1422 NH1 ARG A 97 19.370 11.054 -3.056 1.00 0.00 N ATOM 1423 NH2 ARG A 97 20.189 11.925 -1.101 1.00 0.00 N ATOM 0 H ARG A 97 24.291 14.271 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 97 22.289 12.092 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 97 22.041 15.126 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 97 20.680 14.023 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 97 22.763 14.068 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 97 21.224 14.902 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 97 20.054 12.689 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 97 21.613 11.891 -4.952 1.00 0.00 H new ATOM 0 HE ARG A 97 21.605 13.332 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 97 19.357 11.019 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.758 10.442 -2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.810 12.564 -0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.570 11.306 -0.577 1.00 0.00 H new ATOM 1437 N PRO A 98 21.338 12.486 -9.303 1.00 0.00 N ATOM 1438 CA PRO A 98 21.031 12.525 -10.723 1.00 0.00 C ATOM 1439 C PRO A 98 20.770 13.956 -11.196 1.00 0.00 C ATOM 1440 O PRO A 98 20.340 14.803 -10.415 1.00 0.00 O ATOM 1441 CB PRO A 98 19.791 11.645 -10.908 1.00 0.00 C ATOM 1442 CG PRO A 98 19.770 10.771 -9.653 1.00 0.00 C ATOM 1443 CD PRO A 98 20.356 11.696 -8.590 1.00 0.00 C ATOM 0 HA PRO A 98 21.868 12.161 -11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.885 12.244 -10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 98 19.860 11.042 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 98 18.759 10.451 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 98 20.368 9.868 -9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 98 19.587 12.326 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 98 20.814 11.130 -7.779 1.00 0.00 H new ATOM 1451 N VAL A 99 21.031 14.222 -12.479 1.00 0.00 N ATOM 1452 CA VAL A 99 20.866 15.546 -13.069 1.00 0.00 C ATOM 1453 C VAL A 99 20.296 15.448 -14.478 1.00 0.00 C ATOM 1454 O VAL A 99 20.463 14.436 -15.158 1.00 0.00 O ATOM 1455 CB VAL A 99 22.195 16.313 -13.089 1.00 0.00 C ATOM 1456 CG1 VAL A 99 22.683 16.598 -11.669 1.00 0.00 C ATOM 1457 CG2 VAL A 99 23.278 15.547 -13.847 1.00 0.00 C ATOM 0 H VAL A 99 21.364 13.518 -13.138 1.00 0.00 H new ATOM 0 HA VAL A 99 20.161 16.097 -12.447 1.00 0.00 H new ATOM 0 HB VAL A 99 22.008 17.255 -13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 99 23.626 17.142 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 99 21.941 17.198 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 99 22.830 15.657 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 99 24.204 16.122 -13.839 1.00 0.00 H new ATOM 0 HG22 VAL A 99 23.446 14.583 -13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 99 22.958 15.388 -14.877 1.00 0.00 H new ATOM 1467 N LEU A 100 19.622 16.518 -14.910 1.00 0.00 N ATOM 1468 CA LEU A 100 19.044 16.620 -16.241 1.00 0.00 C ATOM 1469 C LEU A 100 19.127 18.074 -16.714 1.00 0.00 C ATOM 1470 O LEU A 100 19.210 18.991 -15.896 1.00 0.00 O ATOM 1471 CB LEU A 100 17.595 16.123 -16.175 1.00 0.00 C ATOM 1472 CG LEU A 100 16.902 16.062 -17.541 1.00 0.00 C ATOM 1473 CD1 LEU A 100 17.625 15.118 -18.500 1.00 0.00 C ATOM 1474 CD2 LEU A 100 15.477 15.548 -17.357 1.00 0.00 C ATOM 0 H LEU A 100 19.464 17.344 -14.333 1.00 0.00 H new ATOM 0 HA LEU A 100 19.589 16.006 -16.958 1.00 0.00 H new ATOM 0 HB2 LEU A 100 17.581 15.130 -15.726 1.00 0.00 H new ATOM 0 HB3 LEU A 100 17.025 16.779 -15.517 1.00 0.00 H new ATOM 0 HG LEU A 100 16.911 17.067 -17.963 1.00 0.00 H new ATOM 0 HD11 LEU A 100 17.104 15.102 -19.457 1.00 0.00 H new ATOM 0 HD12 LEU A 100 18.648 15.464 -18.650 1.00 0.00 H new ATOM 0 HD13 LEU A 100 17.641 14.113 -18.078 1.00 0.00 H new ATOM 0 HD21 LEU A 100 14.979 15.502 -18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 100 15.504 14.552 -16.915 1.00 0.00 H new ATOM 0 HD23 LEU A 100 14.929 16.222 -16.699 1.00 0.00 H new ATOM 1486 N GLN A 101 19.106 18.295 -18.030 1.00 0.00 N ATOM 1487 CA GLN A 101 19.137 19.636 -18.596 1.00 0.00 C ATOM 1488 C GLN A 101 17.807 20.351 -18.332 1.00 0.00 C ATOM 1489 O GLN A 101 16.812 19.712 -17.984 1.00 0.00 O ATOM 1490 CB GLN A 101 19.440 19.585 -20.094 1.00 0.00 C ATOM 1491 CG GLN A 101 20.867 19.106 -20.385 1.00 0.00 C ATOM 1492 CD GLN A 101 21.052 17.600 -20.230 1.00 0.00 C ATOM 1493 OE1 GLN A 101 20.090 16.839 -20.183 1.00 0.00 O ATOM 1494 NE2 GLN A 101 22.305 17.157 -20.149 1.00 0.00 N ATOM 0 H GLN A 101 19.067 17.551 -18.726 1.00 0.00 H new ATOM 0 HA GLN A 101 19.935 20.200 -18.112 1.00 0.00 H new ATOM 0 HB2 GLN A 101 18.729 18.919 -20.583 1.00 0.00 H new ATOM 0 HB3 GLN A 101 19.297 20.576 -20.525 1.00 0.00 H new ATOM 0 HG2 GLN A 101 21.137 19.394 -21.401 1.00 0.00 H new ATOM 0 HG3 GLN A 101 21.557 19.619 -19.715 1.00 0.00 H new ATOM 0 HE21 GLN A 101 23.083 17.816 -20.191 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.487 16.159 -20.045 1.00 0.00 H new ATOM 1503 N LYS A 102 17.784 21.679 -18.500 1.00 0.00 N ATOM 1504 CA LYS A 102 16.580 22.467 -18.270 1.00 0.00 C ATOM 1505 C LYS A 102 15.473 22.113 -19.269 1.00 0.00 C ATOM 1506 O LYS A 102 14.350 21.856 -18.835 1.00 0.00 O ATOM 1507 CB LYS A 102 16.930 23.957 -18.292 1.00 0.00 C ATOM 1508 CG LYS A 102 15.733 24.847 -17.944 1.00 0.00 C ATOM 1509 CD LYS A 102 15.214 24.556 -16.533 1.00 0.00 C ATOM 1510 CE LYS A 102 14.171 25.603 -16.149 1.00 0.00 C ATOM 1511 NZ LYS A 102 13.662 25.371 -14.786 1.00 0.00 N ATOM 0 H LYS A 102 18.592 22.227 -18.796 1.00 0.00 H new ATOM 0 HA LYS A 102 16.182 22.226 -17.284 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.738 24.147 -17.585 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.302 24.225 -19.281 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.023 25.895 -18.018 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.934 24.685 -18.668 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.776 23.559 -16.494 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.039 24.570 -15.820 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.611 26.598 -16.212 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.344 25.574 -16.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.388 26.279 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.834 24.743 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.405 24.927 -14.209 1.00 0.00 H new ATOM 1525 N PRO A 103 15.734 22.082 -20.586 1.00 0.00 N ATOM 1526 CA PRO A 103 14.777 21.578 -21.553 1.00 0.00 C ATOM 1527 C PRO A 103 14.722 20.053 -21.468 1.00 0.00 C ATOM 1528 O PRO A 103 15.731 19.405 -21.197 1.00 0.00 O ATOM 1529 CB PRO A 103 15.289 22.048 -22.913 1.00 0.00 C ATOM 1530 CG PRO A 103 16.802 22.054 -22.709 1.00 0.00 C ATOM 1531 CD PRO A 103 16.945 22.520 -21.262 1.00 0.00 C ATOM 0 HA PRO A 103 13.764 21.940 -21.375 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.990 21.373 -23.715 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.910 23.037 -23.170 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.235 21.065 -22.860 1.00 0.00 H new ATOM 0 HG3 PRO A 103 17.301 22.730 -23.403 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.831 22.088 -20.797 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.053 23.603 -21.208 1.00 0.00 H new ATOM 1539 N PHE A 104 13.541 19.476 -21.701 1.00 0.00 N ATOM 1540 CA PHE A 104 13.350 18.035 -21.603 1.00 0.00 C ATOM 1541 C PHE A 104 13.240 17.400 -22.984 1.00 0.00 C ATOM 1542 O PHE A 104 12.839 18.048 -23.949 1.00 0.00 O ATOM 1543 CB PHE A 104 12.108 17.724 -20.762 1.00 0.00 C ATOM 1544 CG PHE A 104 12.290 17.779 -19.259 1.00 0.00 C ATOM 1545 CD1 PHE A 104 13.388 18.435 -18.676 1.00 0.00 C ATOM 1546 CD2 PHE A 104 11.340 17.157 -18.433 1.00 0.00 C ATOM 1547 CE1 PHE A 104 13.542 18.455 -17.284 1.00 0.00 C ATOM 1548 CE2 PHE A 104 11.510 17.161 -17.043 1.00 0.00 C ATOM 1549 CZ PHE A 104 12.604 17.814 -16.465 1.00 0.00 C ATOM 0 H PHE A 104 12.700 19.992 -21.960 1.00 0.00 H new ATOM 0 HA PHE A 104 14.223 17.606 -21.110 1.00 0.00 H new ATOM 0 HB2 PHE A 104 11.322 18.427 -21.038 1.00 0.00 H new ATOM 0 HB3 PHE A 104 11.754 16.728 -21.028 1.00 0.00 H new ATOM 0 HD1 PHE A 104 14.116 18.926 -19.304 1.00 0.00 H new ATOM 0 HD2 PHE A 104 10.478 16.675 -18.870 1.00 0.00 H new ATOM 0 HE1 PHE A 104 14.385 18.965 -16.842 1.00 0.00 H new ATOM 0 HE2 PHE A 104 10.792 16.657 -16.413 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.725 17.824 -15.392 1.00 0.00 H new ATOM 1559 N THR A 105 13.605 16.116 -23.063 1.00 0.00 N ATOM 1560 CA THR A 105 13.539 15.314 -24.279 1.00 0.00 C ATOM 1561 C THR A 105 13.130 13.893 -23.907 1.00 0.00 C ATOM 1562 O THR A 105 13.268 13.488 -22.756 1.00 0.00 O ATOM 1563 CB THR A 105 14.892 15.287 -24.998 1.00 0.00 C ATOM 1564 OG1 THR A 105 15.872 14.727 -24.155 1.00 0.00 O ATOM 1565 CG2 THR A 105 15.341 16.686 -25.415 1.00 0.00 C ATOM 0 H THR A 105 13.963 15.597 -22.261 1.00 0.00 H new ATOM 0 HA THR A 105 12.807 15.757 -24.954 1.00 0.00 H new ATOM 0 HB THR A 105 14.771 14.681 -25.896 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.734 14.711 -24.621 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.304 16.623 -25.921 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.603 17.119 -26.091 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.436 17.316 -24.531 1.00 0.00 H new ATOM 1573 N MET A 106 12.627 13.122 -24.875 1.00 0.00 N ATOM 1574 CA MET A 106 12.175 11.767 -24.601 1.00 0.00 C ATOM 1575 C MET A 106 13.346 10.864 -24.214 1.00 0.00 C ATOM 1576 O MET A 106 13.146 9.855 -23.545 1.00 0.00 O ATOM 1577 CB MET A 106 11.435 11.217 -25.824 1.00 0.00 C ATOM 1578 CG MET A 106 10.166 12.029 -26.069 1.00 0.00 C ATOM 1579 SD MET A 106 9.168 11.462 -27.468 1.00 0.00 S ATOM 1580 CE MET A 106 7.814 12.658 -27.326 1.00 0.00 C ATOM 0 H MET A 106 12.525 13.415 -25.847 1.00 0.00 H new ATOM 0 HA MET A 106 11.489 11.788 -23.754 1.00 0.00 H new ATOM 0 HB2 MET A 106 12.081 11.261 -26.701 1.00 0.00 H new ATOM 0 HB3 MET A 106 11.182 10.169 -25.666 1.00 0.00 H new ATOM 0 HG2 MET A 106 9.553 12.002 -25.168 1.00 0.00 H new ATOM 0 HG3 MET A 106 10.443 13.070 -26.235 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.082 12.474 -28.112 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.336 12.552 -26.352 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.209 13.669 -27.428 1.00 0.00 H new ATOM 1590 N ASP A 107 14.568 11.215 -24.624 1.00 0.00 N ATOM 1591 CA ASP A 107 15.750 10.436 -24.276 1.00 0.00 C ATOM 1592 C ASP A 107 16.287 10.828 -22.902 1.00 0.00 C ATOM 1593 O ASP A 107 16.740 9.969 -22.150 1.00 0.00 O ATOM 1594 CB ASP A 107 16.814 10.640 -25.356 1.00 0.00 C ATOM 1595 CG ASP A 107 18.043 9.777 -25.092 1.00 0.00 C ATOM 1596 OD1 ASP A 107 17.968 8.564 -25.387 1.00 0.00 O ATOM 1597 OD2 ASP A 107 19.051 10.332 -24.597 1.00 0.00 O ATOM 0 H ASP A 107 14.760 12.036 -25.198 1.00 0.00 H new ATOM 0 HA ASP A 107 15.480 9.381 -24.225 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.397 10.393 -26.332 1.00 0.00 H new ATOM 0 HB3 ASP A 107 17.105 11.690 -25.390 1.00 0.00 H new ATOM 1602 N GLY A 108 16.239 12.121 -22.568 1.00 0.00 N ATOM 1603 CA GLY A 108 16.775 12.607 -21.303 1.00 0.00 C ATOM 1604 C GLY A 108 15.833 12.322 -20.138 1.00 0.00 C ATOM 1605 O GLY A 108 16.286 12.051 -19.028 1.00 0.00 O ATOM 0 H GLY A 108 15.833 12.846 -23.159 1.00 0.00 H new ATOM 0 HA2 GLY A 108 17.740 12.136 -21.113 1.00 0.00 H new ATOM 0 HA3 GLY A 108 16.952 13.680 -21.372 1.00 0.00 H new ATOM 1609 N VAL A 109 14.522 12.378 -20.378 1.00 0.00 N ATOM 1610 CA VAL A 109 13.537 12.140 -19.331 1.00 0.00 C ATOM 1611 C VAL A 109 13.431 10.652 -19.027 1.00 0.00 C ATOM 1612 O VAL A 109 13.123 10.275 -17.897 1.00 0.00 O ATOM 1613 CB VAL A 109 12.190 12.728 -19.761 1.00 0.00 C ATOM 1614 CG1 VAL A 109 11.076 12.384 -18.767 1.00 0.00 C ATOM 1615 CG2 VAL A 109 12.287 14.250 -19.836 1.00 0.00 C ATOM 0 H VAL A 109 14.121 12.587 -21.292 1.00 0.00 H new ATOM 0 HA VAL A 109 13.851 12.634 -18.412 1.00 0.00 H new ATOM 0 HB VAL A 109 11.951 12.299 -20.734 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.137 12.819 -19.108 1.00 0.00 H new ATOM 0 HG12 VAL A 109 10.971 11.301 -18.699 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.327 12.786 -17.786 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.325 14.661 -20.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 12.556 14.646 -18.857 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.050 14.531 -20.562 1.00 0.00 H new ATOM 1625 N ALA A 110 13.684 9.795 -20.018 1.00 0.00 N ATOM 1626 CA ALA A 110 13.621 8.359 -19.811 1.00 0.00 C ATOM 1627 C ALA A 110 14.810 7.879 -18.979 1.00 0.00 C ATOM 1628 O ALA A 110 14.694 6.894 -18.255 1.00 0.00 O ATOM 1629 CB ALA A 110 13.584 7.661 -21.170 1.00 0.00 C ATOM 0 H ALA A 110 13.933 10.076 -20.967 1.00 0.00 H new ATOM 0 HA ALA A 110 12.715 8.111 -19.257 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.537 6.582 -21.024 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.706 7.991 -21.725 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.483 7.912 -21.732 1.00 0.00 H new ATOM 1635 N LYS A 111 15.953 8.571 -19.076 1.00 0.00 N ATOM 1636 CA LYS A 111 17.148 8.201 -18.328 1.00 0.00 C ATOM 1637 C LYS A 111 17.132 8.803 -16.925 1.00 0.00 C ATOM 1638 O LYS A 111 17.660 8.199 -15.992 1.00 0.00 O ATOM 1639 CB LYS A 111 18.385 8.661 -19.108 1.00 0.00 C ATOM 1640 CG LYS A 111 18.521 7.855 -20.400 1.00 0.00 C ATOM 1641 CD LYS A 111 19.605 8.459 -21.294 1.00 0.00 C ATOM 1642 CE LYS A 111 19.710 7.635 -22.574 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.629 8.267 -23.535 1.00 0.00 N ATOM 0 H LYS A 111 16.069 9.392 -19.669 1.00 0.00 H new ATOM 0 HA LYS A 111 17.175 7.118 -18.210 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.304 9.723 -19.340 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.278 8.535 -18.496 1.00 0.00 H new ATOM 0 HG2 LYS A 111 18.769 6.820 -20.166 1.00 0.00 H new ATOM 0 HG3 LYS A 111 17.569 7.843 -20.930 1.00 0.00 H new ATOM 0 HD2 LYS A 111 19.363 9.495 -21.532 1.00 0.00 H new ATOM 0 HD3 LYS A 111 20.562 8.467 -20.772 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.061 6.631 -22.336 1.00 0.00 H new ATOM 0 HE3 LYS A 111 18.723 7.529 -23.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 20.882 7.582 -24.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.165 9.090 -23.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.490 8.576 -23.040 1.00 0.00 H new ATOM 1657 N ALA A 112 16.529 9.983 -16.760 1.00 0.00 N ATOM 1658 CA ALA A 112 16.468 10.634 -15.462 1.00 0.00 C ATOM 1659 C ALA A 112 15.439 9.948 -14.566 1.00 0.00 C ATOM 1660 O ALA A 112 15.631 9.859 -13.354 1.00 0.00 O ATOM 1661 CB ALA A 112 16.122 12.107 -15.665 1.00 0.00 C ATOM 0 H ALA A 112 16.078 10.502 -17.513 1.00 0.00 H new ATOM 0 HA ALA A 112 17.436 10.558 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.073 12.606 -14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.889 12.580 -16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.156 12.189 -16.164 1.00 0.00 H new ATOM 1667 N LEU A 113 14.347 9.456 -15.155 1.00 0.00 N ATOM 1668 CA LEU A 113 13.326 8.755 -14.396 1.00 0.00 C ATOM 1669 C LEU A 113 13.717 7.294 -14.199 1.00 0.00 C ATOM 1670 O LEU A 113 13.213 6.650 -13.284 1.00 0.00 O ATOM 1671 CB LEU A 113 11.972 8.894 -15.093 1.00 0.00 C ATOM 1672 CG LEU A 113 11.488 10.348 -15.130 1.00 0.00 C ATOM 1673 CD1 LEU A 113 10.146 10.410 -15.859 1.00 0.00 C ATOM 1674 CD2 LEU A 113 11.296 10.914 -13.725 1.00 0.00 C ATOM 0 H LEU A 113 14.153 9.533 -16.153 1.00 0.00 H new ATOM 0 HA LEU A 113 13.240 9.203 -13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.048 8.512 -16.111 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.234 8.280 -14.576 1.00 0.00 H new ATOM 0 HG LEU A 113 12.245 10.939 -15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.796 11.442 -15.889 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.267 10.038 -16.876 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.417 9.794 -15.332 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.953 11.946 -13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.555 10.319 -13.191 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.243 10.881 -13.187 1.00 0.00 H new ATOM 1686 N ALA A 114 14.609 6.760 -15.039 1.00 0.00 N ATOM 1687 CA ALA A 114 15.130 5.419 -14.828 1.00 0.00 C ATOM 1688 C ALA A 114 16.148 5.421 -13.687 1.00 0.00 C ATOM 1689 O ALA A 114 16.428 4.373 -13.109 1.00 0.00 O ATOM 1690 CB ALA A 114 15.766 4.905 -16.117 1.00 0.00 C ATOM 0 H ALA A 114 14.978 7.236 -15.862 1.00 0.00 H new ATOM 0 HA ALA A 114 14.311 4.755 -14.553 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.155 3.900 -15.955 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.016 4.881 -16.908 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.581 5.567 -16.410 1.00 0.00 H new ATOM 1696 N ALA A 115 16.704 6.592 -13.355 1.00 0.00 N ATOM 1697 CA ALA A 115 17.607 6.735 -12.226 1.00 0.00 C ATOM 1698 C ALA A 115 16.842 7.014 -10.928 1.00 0.00 C ATOM 1699 O ALA A 115 17.347 6.718 -9.846 1.00 0.00 O ATOM 1700 CB ALA A 115 18.600 7.855 -12.533 1.00 0.00 C ATOM 0 H ALA A 115 16.536 7.460 -13.865 1.00 0.00 H new ATOM 0 HA ALA A 115 18.146 5.800 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 115 19.285 7.974 -11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 115 19.166 7.604 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 115 18.059 8.787 -12.695 1.00 0.00 H new ATOM 1706 N LEU A 116 15.632 7.581 -11.023 1.00 0.00 N ATOM 1707 CA LEU A 116 14.818 7.897 -9.856 1.00 0.00 C ATOM 1708 C LEU A 116 13.876 6.741 -9.499 1.00 0.00 C ATOM 1709 O LEU A 116 13.939 6.202 -8.394 1.00 0.00 O ATOM 1710 CB LEU A 116 14.047 9.192 -10.134 1.00 0.00 C ATOM 1711 CG LEU A 116 13.688 9.973 -8.863 1.00 0.00 C ATOM 1712 CD1 LEU A 116 12.811 11.163 -9.250 1.00 0.00 C ATOM 1713 CD2 LEU A 116 12.935 9.137 -7.837 1.00 0.00 C ATOM 0 H LEU A 116 15.197 7.830 -11.911 1.00 0.00 H new ATOM 0 HA LEU A 116 15.464 8.042 -8.990 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.645 9.829 -10.786 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.131 8.952 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 116 14.626 10.287 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.548 11.727 -8.355 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.356 11.808 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.902 10.803 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 116 12.712 9.748 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.004 8.776 -8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 116 13.549 8.288 -7.538 1.00 0.00 H new ATOM 1725 N LEU A 117 13.003 6.368 -10.442 1.00 0.00 N ATOM 1726 CA LEU A 117 11.936 5.393 -10.262 1.00 0.00 C ATOM 1727 C LEU A 117 12.441 3.954 -10.107 1.00 0.00 C ATOM 1728 O LEU A 117 11.627 3.034 -10.021 1.00 0.00 O ATOM 1729 CB LEU A 117 10.954 5.492 -11.436 1.00 0.00 C ATOM 1730 CG LEU A 117 10.454 6.921 -11.687 1.00 0.00 C ATOM 1731 CD1 LEU A 117 9.450 6.917 -12.838 1.00 0.00 C ATOM 1732 CD2 LEU A 117 9.771 7.495 -10.450 1.00 0.00 C ATOM 0 H LEU A 117 13.026 6.755 -11.385 1.00 0.00 H new ATOM 0 HA LEU A 117 11.435 5.636 -9.325 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.438 5.120 -12.339 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.099 4.844 -11.242 1.00 0.00 H new ATOM 0 HG LEU A 117 11.318 7.539 -11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.096 7.932 -13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.932 6.538 -13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.605 6.278 -12.582 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.428 8.508 -10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.918 6.871 -10.183 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.478 7.516 -9.621 1.00 0.00 H new ATOM 1744 N VAL A 118 13.764 3.747 -10.074 1.00 0.00 N ATOM 1745 CA VAL A 118 14.360 2.422 -9.933 1.00 0.00 C ATOM 1746 C VAL A 118 15.498 2.469 -8.920 1.00 0.00 C ATOM 1747 O VAL A 118 16.463 3.227 -9.162 1.00 0.00 O ATOM 1748 CB VAL A 118 14.853 1.909 -11.289 1.00 0.00 C ATOM 1749 CG1 VAL A 118 15.380 0.480 -11.144 1.00 0.00 C ATOM 1750 CG2 VAL A 118 13.723 1.902 -12.321 1.00 0.00 C ATOM 0 H VAL A 118 14.449 4.499 -10.145 1.00 0.00 H new ATOM 0 HA VAL A 118 13.602 1.729 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 118 15.645 2.577 -11.628 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.729 0.121 -12.112 1.00 0.00 H new ATOM 0 HG12 VAL A 118 16.206 0.467 -10.433 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.581 -0.168 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.103 1.533 -13.274 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.918 1.253 -11.975 1.00 0.00 H new ATOM 0 HG23 VAL A 118 13.342 2.915 -12.450 1.00 0.00 H new TER 1760 VAL A 118