USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -55:sc= 1.19 USER MOD Set 1.2: A 57 SER OG : rot -85:sc= 0.697 USER MOD Set 2.1: A 22 THR OG1 : rot -82:sc= 0.349 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.161 X(o=0.51,f=0.7) USER MOD Set 3.1: A 7 THR OG1 : rot -77:sc= 1.22 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0165 (180deg=-0.325) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.27 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 2.06 (180deg=2.01) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00856 K(o=-0.0086,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= 1.7 K(o=1.7,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.808 K(o=0.81,f=-4.8!) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.481 USER MOD Single : A 60 ASN : amide:sc= -0.0913 X(o=-0.091,f=-0.093) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 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 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.395 51.933 20.394 1.00 0.00 N ATOM 2 CA MET A 1 32.646 52.326 21.789 1.00 0.00 C ATOM 3 C MET A 1 34.140 52.584 21.997 1.00 0.00 C ATOM 4 O MET A 1 34.954 52.106 21.211 1.00 0.00 O ATOM 5 CB MET A 1 32.105 51.298 22.778 1.00 0.00 C ATOM 6 CG MET A 1 32.743 49.916 22.655 1.00 0.00 C ATOM 7 SD MET A 1 32.120 48.693 23.835 1.00 0.00 S ATOM 8 CE MET A 1 30.410 48.523 23.266 1.00 0.00 C ATOM 0 H1 MET A 1 31.381 51.743 20.264 1.00 0.00 H new ATOM 0 H2 MET A 1 32.687 52.703 19.759 1.00 0.00 H new ATOM 0 H3 MET A 1 32.939 51.075 20.172 1.00 0.00 H new ATOM 0 HA MET A 1 32.105 53.252 21.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.260 51.669 23.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.029 51.203 22.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.579 49.543 21.644 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.820 50.014 22.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 29.962 47.638 23.718 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.841 49.406 23.556 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.396 48.422 22.181 1.00 0.00 H new ATOM 20 N GLN A 2 34.506 53.300 23.056 1.00 0.00 N ATOM 21 CA GLN A 2 35.885 53.619 23.372 1.00 0.00 C ATOM 22 C GLN A 2 36.492 52.618 24.356 1.00 0.00 C ATOM 23 O GLN A 2 35.866 52.284 25.360 1.00 0.00 O ATOM 24 CB GLN A 2 35.941 55.038 23.930 1.00 0.00 C ATOM 25 CG GLN A 2 37.366 55.496 24.227 1.00 0.00 C ATOM 26 CD GLN A 2 37.435 57.014 24.408 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.486 57.547 25.514 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.413 57.758 23.306 1.00 0.00 N ATOM 0 H GLN A 2 33.838 53.679 23.727 1.00 0.00 H new ATOM 0 HA GLN A 2 36.480 53.555 22.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.484 55.723 23.216 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.349 55.089 24.844 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.728 55.003 25.129 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.025 55.194 23.413 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.371 57.311 22.390 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.439 58.775 23.377 1.00 0.00 H new ATOM 37 N ILE A 3 37.747 52.240 24.131 1.00 0.00 N ATOM 38 CA ILE A 3 38.605 51.616 25.118 1.00 0.00 C ATOM 39 C ILE A 3 39.846 52.476 25.366 1.00 0.00 C ATOM 40 O ILE A 3 40.200 53.325 24.551 1.00 0.00 O ATOM 41 CB ILE A 3 38.966 50.182 24.740 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.671 50.079 23.391 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.728 49.293 24.817 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.316 48.723 23.125 1.00 0.00 C ATOM 0 H ILE A 3 38.203 52.366 23.227 1.00 0.00 H new ATOM 0 HA ILE A 3 38.049 51.551 26.053 1.00 0.00 H new ATOM 0 HB ILE A 3 39.693 49.822 25.468 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.950 50.287 22.600 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.438 50.851 23.335 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.996 48.272 24.546 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.333 49.307 25.833 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.970 49.665 24.128 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.795 48.734 22.146 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.063 48.518 23.892 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.552 47.946 23.146 1.00 0.00 H new ATOM 56 N PHE A 4 40.529 52.221 26.478 1.00 0.00 N ATOM 57 CA PHE A 4 41.857 52.737 26.747 1.00 0.00 C ATOM 58 C PHE A 4 42.916 51.661 26.503 1.00 0.00 C ATOM 59 O PHE A 4 42.668 50.479 26.729 1.00 0.00 O ATOM 60 CB PHE A 4 41.950 53.241 28.185 1.00 0.00 C ATOM 61 CG PHE A 4 41.055 54.402 28.549 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.293 55.669 28.004 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.033 54.231 29.490 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.504 56.758 28.392 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.244 55.319 29.881 1.00 0.00 C ATOM 66 CZ PHE A 4 39.481 56.585 29.331 1.00 0.00 C ATOM 0 H PHE A 4 40.162 51.637 27.230 1.00 0.00 H new ATOM 0 HA PHE A 4 42.042 53.568 26.067 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.721 52.411 28.853 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.982 53.532 28.379 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.086 55.806 27.284 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.852 53.255 29.916 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.685 57.734 27.966 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.454 55.183 30.605 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.875 57.427 29.631 1.00 0.00 H new ATOM 76 N VAL A 5 44.116 52.070 26.098 1.00 0.00 N ATOM 77 CA VAL A 5 45.290 51.229 25.982 1.00 0.00 C ATOM 78 C VAL A 5 46.463 51.918 26.681 1.00 0.00 C ATOM 79 O VAL A 5 46.774 53.060 26.353 1.00 0.00 O ATOM 80 CB VAL A 5 45.634 50.919 24.528 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.694 49.824 24.455 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.440 50.459 23.697 1.00 0.00 C ATOM 0 H VAL A 5 44.297 53.038 25.832 1.00 0.00 H new ATOM 0 HA VAL A 5 45.080 50.273 26.462 1.00 0.00 H new ATOM 0 HB VAL A 5 45.995 51.860 24.113 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.929 49.614 23.412 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.596 50.155 24.970 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.316 48.919 24.931 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.763 50.258 22.676 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.023 49.550 24.131 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.679 51.240 23.690 1.00 0.00 H new ATOM 92 N LYS A 6 47.124 51.255 27.626 1.00 0.00 N ATOM 93 CA LYS A 6 48.291 51.785 28.304 1.00 0.00 C ATOM 94 C LYS A 6 49.586 51.271 27.672 1.00 0.00 C ATOM 95 O LYS A 6 49.883 50.079 27.734 1.00 0.00 O ATOM 96 CB LYS A 6 48.205 51.547 29.809 1.00 0.00 C ATOM 97 CG LYS A 6 49.267 52.374 30.526 1.00 0.00 C ATOM 98 CD LYS A 6 49.273 52.159 32.037 1.00 0.00 C ATOM 99 CE LYS A 6 50.350 53.052 32.648 1.00 0.00 C ATOM 100 NZ LYS A 6 50.550 52.789 34.082 1.00 0.00 N ATOM 0 H LYS A 6 46.856 50.323 27.942 1.00 0.00 H new ATOM 0 HA LYS A 6 48.310 52.867 28.171 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.214 51.818 30.173 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.347 50.489 30.027 1.00 0.00 H new ATOM 0 HG2 LYS A 6 50.248 52.121 30.125 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.100 53.430 30.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.297 52.400 32.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.471 51.113 32.270 1.00 0.00 H new ATOM 0 HE2 LYS A 6 51.290 52.897 32.118 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.074 54.097 32.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.290 53.420 34.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.661 52.962 34.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.840 51.799 34.216 1.00 0.00 H new ATOM 114 N THR A 7 50.353 52.190 27.093 1.00 0.00 N ATOM 115 CA THR A 7 51.599 51.958 26.390 1.00 0.00 C ATOM 116 C THR A 7 52.798 51.860 27.336 1.00 0.00 C ATOM 117 O THR A 7 52.708 52.240 28.501 1.00 0.00 O ATOM 118 CB THR A 7 51.844 53.041 25.344 1.00 0.00 C ATOM 119 OG1 THR A 7 52.030 54.300 25.950 1.00 0.00 O ATOM 120 CG2 THR A 7 50.711 53.190 24.333 1.00 0.00 C ATOM 0 H THR A 7 50.100 53.178 27.106 1.00 0.00 H new ATOM 0 HA THR A 7 51.498 50.994 25.891 1.00 0.00 H new ATOM 0 HB THR A 7 52.741 52.714 24.817 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.163 54.659 26.231 1.00 0.00 H new ATOM 0 HG21 THR A 7 50.959 53.979 23.623 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.574 52.250 23.798 1.00 0.00 H new ATOM 0 HG23 THR A 7 49.789 53.448 24.855 1.00 0.00 H new ATOM 128 N LEU A 8 53.939 51.363 26.867 1.00 0.00 N ATOM 129 CA LEU A 8 55.103 51.082 27.684 1.00 0.00 C ATOM 130 C LEU A 8 55.858 52.308 28.203 1.00 0.00 C ATOM 131 O LEU A 8 56.647 52.161 29.134 1.00 0.00 O ATOM 132 CB LEU A 8 56.033 50.119 26.953 1.00 0.00 C ATOM 133 CG LEU A 8 55.736 48.637 27.164 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.518 48.157 26.381 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.932 47.799 26.719 1.00 0.00 C ATOM 0 H LEU A 8 54.078 51.141 25.881 1.00 0.00 H new ATOM 0 HA LEU A 8 54.717 50.614 28.590 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.985 50.334 25.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.056 50.316 27.272 1.00 0.00 H new ATOM 0 HG LEU A 8 55.533 48.516 28.228 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.358 47.096 26.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 53.639 48.719 26.695 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.686 48.313 25.315 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.713 46.742 26.872 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.129 47.979 25.662 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.809 48.077 27.304 1.00 0.00 H new ATOM 147 N THR A 9 55.590 53.514 27.712 1.00 0.00 N ATOM 148 CA THR A 9 56.041 54.747 28.326 1.00 0.00 C ATOM 149 C THR A 9 55.239 55.134 29.570 1.00 0.00 C ATOM 150 O THR A 9 55.613 56.068 30.277 1.00 0.00 O ATOM 151 CB THR A 9 55.966 55.931 27.366 1.00 0.00 C ATOM 152 OG1 THR A 9 54.619 56.179 27.034 1.00 0.00 O ATOM 153 CG2 THR A 9 56.743 55.720 26.070 1.00 0.00 C ATOM 0 H THR A 9 55.044 53.659 26.863 1.00 0.00 H new ATOM 0 HA THR A 9 57.074 54.539 28.606 1.00 0.00 H new ATOM 0 HB THR A 9 56.420 56.774 27.887 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.569 56.940 26.419 1.00 0.00 H new ATOM 0 HG21 THR A 9 56.643 56.603 25.438 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.796 55.555 26.300 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.346 54.851 25.545 1.00 0.00 H new ATOM 161 N GLY A 10 54.135 54.444 29.843 1.00 0.00 N ATOM 162 CA GLY A 10 53.135 54.802 30.829 1.00 0.00 C ATOM 163 C GLY A 10 51.954 55.588 30.256 1.00 0.00 C ATOM 164 O GLY A 10 50.919 55.659 30.915 1.00 0.00 O ATOM 0 H GLY A 10 53.908 53.578 29.355 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.760 53.893 31.299 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.607 55.394 31.613 1.00 0.00 H new ATOM 168 N LYS A 11 52.061 56.130 29.046 1.00 0.00 N ATOM 169 CA LYS A 11 51.015 56.927 28.440 1.00 0.00 C ATOM 170 C LYS A 11 49.788 56.075 28.109 1.00 0.00 C ATOM 171 O LYS A 11 49.910 55.050 27.441 1.00 0.00 O ATOM 172 CB LYS A 11 51.570 57.681 27.234 1.00 0.00 C ATOM 173 CG LYS A 11 50.569 58.656 26.621 1.00 0.00 C ATOM 174 CD LYS A 11 51.208 59.536 25.550 1.00 0.00 C ATOM 175 CE LYS A 11 50.209 60.576 25.050 1.00 0.00 C ATOM 176 NZ LYS A 11 50.805 61.489 24.063 1.00 0.00 N ATOM 0 H LYS A 11 52.888 56.023 28.458 1.00 0.00 H new ATOM 0 HA LYS A 11 50.669 57.673 29.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.463 58.229 27.536 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.879 56.962 26.475 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.741 58.098 26.185 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.150 59.286 27.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.088 60.034 25.957 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.547 58.919 24.718 1.00 0.00 H new ATOM 0 HE2 LYS A 11 49.353 60.070 24.604 1.00 0.00 H new ATOM 0 HE3 LYS A 11 49.833 61.152 25.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 50.091 62.178 23.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.606 61.992 24.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.140 60.943 23.244 1.00 0.00 H new ATOM 190 N THR A 12 48.606 56.512 28.532 1.00 0.00 N ATOM 191 CA THR A 12 47.334 55.897 28.206 1.00 0.00 C ATOM 192 C THR A 12 46.683 56.623 27.026 1.00 0.00 C ATOM 193 O THR A 12 46.528 57.841 27.065 1.00 0.00 O ATOM 194 CB THR A 12 46.412 55.860 29.420 1.00 0.00 C ATOM 195 OG1 THR A 12 46.973 55.093 30.463 1.00 0.00 O ATOM 196 CG2 THR A 12 45.083 55.182 29.100 1.00 0.00 C ATOM 0 H THR A 12 48.509 57.332 29.131 1.00 0.00 H new ATOM 0 HA THR A 12 47.514 54.864 27.910 1.00 0.00 H new ATOM 0 HB THR A 12 46.270 56.902 29.708 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.363 55.087 31.230 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.454 55.176 29.990 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.578 55.728 28.303 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.266 54.157 28.778 1.00 0.00 H new ATOM 204 N ILE A 13 46.292 55.888 25.990 1.00 0.00 N ATOM 205 CA ILE A 13 45.673 56.389 24.778 1.00 0.00 C ATOM 206 C ILE A 13 44.277 55.800 24.571 1.00 0.00 C ATOM 207 O ILE A 13 43.981 54.722 25.082 1.00 0.00 O ATOM 208 CB ILE A 13 46.573 56.185 23.563 1.00 0.00 C ATOM 209 CG1 ILE A 13 46.917 54.720 23.314 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.817 57.059 23.697 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.742 54.449 22.058 1.00 0.00 C ATOM 0 H ILE A 13 46.406 54.875 25.977 1.00 0.00 H new ATOM 0 HA ILE A 13 45.544 57.465 24.897 1.00 0.00 H new ATOM 0 HB ILE A 13 46.019 56.497 22.677 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.464 54.340 24.177 1.00 0.00 H new ATOM 0 HG13 ILE A 13 45.989 54.152 23.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.460 56.913 22.829 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.521 58.106 23.757 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.360 56.783 24.601 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.933 53.379 21.972 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.193 54.791 21.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.690 54.983 22.123 1.00 0.00 H new ATOM 223 N THR A 14 43.421 56.476 23.811 1.00 0.00 N ATOM 224 CA THR A 14 42.093 56.019 23.452 1.00 0.00 C ATOM 225 C THR A 14 42.073 55.311 22.095 1.00 0.00 C ATOM 226 O THR A 14 42.795 55.703 21.182 1.00 0.00 O ATOM 227 CB THR A 14 41.068 57.151 23.437 1.00 0.00 C ATOM 228 OG1 THR A 14 41.463 58.250 22.647 1.00 0.00 O ATOM 229 CG2 THR A 14 40.799 57.690 24.839 1.00 0.00 C ATOM 0 H THR A 14 43.646 57.389 23.417 1.00 0.00 H new ATOM 0 HA THR A 14 41.815 55.307 24.229 1.00 0.00 H new ATOM 0 HB THR A 14 40.172 56.699 23.011 1.00 0.00 H new ATOM 0 HG1 THR A 14 40.768 58.940 22.675 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.065 58.494 24.785 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.414 56.888 25.469 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.726 58.074 25.265 1.00 0.00 H new ATOM 237 N LEU A 15 41.220 54.302 21.940 1.00 0.00 N ATOM 238 CA LEU A 15 40.942 53.645 20.678 1.00 0.00 C ATOM 239 C LEU A 15 39.450 53.338 20.529 1.00 0.00 C ATOM 240 O LEU A 15 38.807 52.885 21.474 1.00 0.00 O ATOM 241 CB LEU A 15 41.801 52.388 20.575 1.00 0.00 C ATOM 242 CG LEU A 15 41.694 51.620 19.261 1.00 0.00 C ATOM 243 CD1 LEU A 15 42.224 52.416 18.073 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.486 50.319 19.354 1.00 0.00 C ATOM 0 H LEU A 15 40.689 53.911 22.718 1.00 0.00 H new ATOM 0 HA LEU A 15 41.199 54.311 19.855 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.843 52.669 20.727 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.530 51.717 21.390 1.00 0.00 H new ATOM 0 HG LEU A 15 40.634 51.425 19.099 1.00 0.00 H new ATOM 0 HD11 LEU A 15 42.124 51.823 17.164 1.00 0.00 H new ATOM 0 HD12 LEU A 15 41.653 53.338 17.969 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.275 52.656 18.236 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.405 49.776 18.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.534 50.544 19.554 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.086 49.706 20.162 1.00 0.00 H new ATOM 256 N GLU A 16 38.908 53.553 19.334 1.00 0.00 N ATOM 257 CA GLU A 16 37.543 53.237 18.965 1.00 0.00 C ATOM 258 C GLU A 16 37.417 51.811 18.424 1.00 0.00 C ATOM 259 O GLU A 16 38.061 51.452 17.441 1.00 0.00 O ATOM 260 CB GLU A 16 37.088 54.261 17.930 1.00 0.00 C ATOM 261 CG GLU A 16 35.644 54.109 17.459 1.00 0.00 C ATOM 262 CD GLU A 16 34.623 54.312 18.580 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.830 55.168 19.468 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.580 53.622 18.564 1.00 0.00 O ATOM 0 H GLU A 16 39.436 53.970 18.567 1.00 0.00 H new ATOM 0 HA GLU A 16 36.905 53.285 19.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.214 55.259 18.350 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.745 54.195 17.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.450 54.829 16.664 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.511 53.116 17.030 1.00 0.00 H new ATOM 271 N VAL A 17 36.567 51.004 19.053 1.00 0.00 N ATOM 272 CA VAL A 17 36.356 49.602 18.755 1.00 0.00 C ATOM 273 C VAL A 17 34.877 49.217 18.699 1.00 0.00 C ATOM 274 O VAL A 17 34.015 49.889 19.261 1.00 0.00 O ATOM 275 CB VAL A 17 37.100 48.696 19.731 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.612 48.892 19.672 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.636 48.880 21.173 1.00 0.00 C ATOM 0 H VAL A 17 35.981 51.332 19.821 1.00 0.00 H new ATOM 0 HA VAL A 17 36.768 49.451 17.757 1.00 0.00 H new ATOM 0 HB VAL A 17 36.860 47.682 19.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.094 48.224 20.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.969 48.668 18.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.855 49.925 19.921 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.198 48.211 21.824 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.804 49.912 21.480 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.573 48.648 21.246 1.00 0.00 H new ATOM 287 N GLU A 18 34.576 48.124 18.002 1.00 0.00 N ATOM 288 CA GLU A 18 33.306 47.427 18.004 1.00 0.00 C ATOM 289 C GLU A 18 33.480 46.083 18.713 1.00 0.00 C ATOM 290 O GLU A 18 34.507 45.442 18.501 1.00 0.00 O ATOM 291 CB GLU A 18 32.851 47.257 16.557 1.00 0.00 C ATOM 292 CG GLU A 18 31.395 46.841 16.365 1.00 0.00 C ATOM 293 CD GLU A 18 30.432 48.010 16.581 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.014 48.254 17.734 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.086 48.705 15.602 1.00 0.00 O ATOM 0 H GLU A 18 35.257 47.680 17.386 1.00 0.00 H new ATOM 0 HA GLU A 18 32.542 47.989 18.540 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.013 48.198 16.032 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.488 46.512 16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.261 46.442 15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.152 46.038 17.061 1.00 0.00 H new ATOM 302 N PRO A 19 32.546 45.579 19.514 1.00 0.00 N ATOM 303 CA PRO A 19 32.701 44.320 20.215 1.00 0.00 C ATOM 304 C PRO A 19 32.931 43.077 19.353 1.00 0.00 C ATOM 305 O PRO A 19 33.343 42.040 19.867 1.00 0.00 O ATOM 306 CB PRO A 19 31.455 44.163 21.082 1.00 0.00 C ATOM 307 CG PRO A 19 31.022 45.604 21.335 1.00 0.00 C ATOM 308 CD PRO A 19 31.372 46.269 20.007 1.00 0.00 C ATOM 0 HA PRO A 19 33.626 44.376 20.788 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.679 43.593 20.572 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.675 43.640 22.012 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.959 45.678 21.562 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.559 46.052 22.171 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.546 46.188 19.300 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.572 47.332 20.143 1.00 0.00 H new ATOM 316 N SER A 20 32.697 43.165 18.047 1.00 0.00 N ATOM 317 CA SER A 20 32.987 42.142 17.061 1.00 0.00 C ATOM 318 C SER A 20 34.376 42.234 16.427 1.00 0.00 C ATOM 319 O SER A 20 34.723 41.371 15.623 1.00 0.00 O ATOM 320 CB SER A 20 31.903 42.166 15.988 1.00 0.00 C ATOM 321 OG SER A 20 31.728 43.467 15.472 1.00 0.00 O ATOM 0 H SER A 20 32.278 43.997 17.632 1.00 0.00 H new ATOM 0 HA SER A 20 32.990 41.191 17.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.171 41.484 15.181 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.963 41.809 16.408 1.00 0.00 H new ATOM 0 HG SER A 20 31.029 43.455 14.785 1.00 0.00 H new ATOM 327 N ASP A 21 35.190 43.231 16.758 1.00 0.00 N ATOM 328 CA ASP A 21 36.552 43.344 16.272 1.00 0.00 C ATOM 329 C ASP A 21 37.431 42.228 16.840 1.00 0.00 C ATOM 330 O ASP A 21 37.329 41.880 18.014 1.00 0.00 O ATOM 331 CB ASP A 21 37.135 44.713 16.609 1.00 0.00 C ATOM 332 CG ASP A 21 36.472 45.884 15.883 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.850 45.667 14.820 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.624 47.049 16.308 1.00 0.00 O ATOM 0 H ASP A 21 34.914 43.991 17.380 1.00 0.00 H new ATOM 0 HA ASP A 21 36.531 43.239 15.187 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.051 44.874 17.684 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.198 44.709 16.369 1.00 0.00 H new ATOM 339 N THR A 22 38.311 41.668 16.014 1.00 0.00 N ATOM 340 CA THR A 22 39.240 40.631 16.418 1.00 0.00 C ATOM 341 C THR A 22 40.474 41.202 17.120 1.00 0.00 C ATOM 342 O THR A 22 40.857 42.351 16.914 1.00 0.00 O ATOM 343 CB THR A 22 39.691 39.740 15.265 1.00 0.00 C ATOM 344 OG1 THR A 22 40.486 40.465 14.354 1.00 0.00 O ATOM 345 CG2 THR A 22 38.543 39.104 14.486 1.00 0.00 C ATOM 0 H THR A 22 38.395 41.930 15.032 1.00 0.00 H new ATOM 0 HA THR A 22 38.677 40.016 17.120 1.00 0.00 H new ATOM 0 HB THR A 22 40.260 38.939 15.736 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.908 40.973 13.748 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.946 38.486 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.947 38.485 15.157 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.915 39.886 14.061 1.00 0.00 H new ATOM 353 N ILE A 23 41.165 40.361 17.885 1.00 0.00 N ATOM 354 CA ILE A 23 42.433 40.713 18.491 1.00 0.00 C ATOM 355 C ILE A 23 43.491 41.017 17.429 1.00 0.00 C ATOM 356 O ILE A 23 44.280 41.939 17.626 1.00 0.00 O ATOM 357 CB ILE A 23 42.841 39.641 19.497 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.855 39.501 20.652 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.246 39.870 20.049 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.481 40.772 21.407 1.00 0.00 C ATOM 0 H ILE A 23 40.854 39.413 18.099 1.00 0.00 H new ATOM 0 HA ILE A 23 42.329 41.641 19.054 1.00 0.00 H new ATOM 0 HB ILE A 23 42.833 38.708 18.934 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.939 39.058 20.262 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.272 38.793 21.368 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.490 39.081 20.761 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.965 39.856 19.230 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.287 40.837 20.551 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.774 40.529 22.201 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.377 41.214 21.842 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.023 41.483 20.719 1.00 0.00 H new ATOM 372 N GLU A 24 43.486 40.361 16.272 1.00 0.00 N ATOM 373 CA GLU A 24 44.386 40.674 15.180 1.00 0.00 C ATOM 374 C GLU A 24 44.129 42.041 14.543 1.00 0.00 C ATOM 375 O GLU A 24 45.089 42.711 14.167 1.00 0.00 O ATOM 376 CB GLU A 24 44.322 39.582 14.115 1.00 0.00 C ATOM 377 CG GLU A 24 45.011 38.293 14.554 1.00 0.00 C ATOM 378 CD GLU A 24 45.021 37.242 13.442 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.937 36.907 12.917 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.108 36.727 13.102 1.00 0.00 O ATOM 0 H GLU A 24 42.849 39.591 16.070 1.00 0.00 H new ATOM 0 HA GLU A 24 45.385 40.719 15.613 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.279 39.370 13.879 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.788 39.945 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.035 38.513 14.854 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.502 37.890 15.430 1.00 0.00 H new ATOM 387 N ASN A 25 42.879 42.483 14.444 1.00 0.00 N ATOM 388 CA ASN A 25 42.557 43.826 14.003 1.00 0.00 C ATOM 389 C ASN A 25 42.984 44.878 15.027 1.00 0.00 C ATOM 390 O ASN A 25 43.629 45.860 14.665 1.00 0.00 O ATOM 391 CB ASN A 25 41.077 43.927 13.643 1.00 0.00 C ATOM 392 CG ASN A 25 40.780 43.374 12.249 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.143 42.337 12.075 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.233 44.059 11.203 1.00 0.00 N ATOM 0 H ASN A 25 42.063 41.915 14.669 1.00 0.00 H new ATOM 0 HA ASN A 25 43.130 44.037 13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.488 43.382 14.381 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.764 44.970 13.692 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.052 43.724 10.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.762 44.919 11.347 1.00 0.00 H new ATOM 401 N VAL A 26 42.723 44.664 16.314 1.00 0.00 N ATOM 402 CA VAL A 26 43.162 45.556 17.368 1.00 0.00 C ATOM 403 C VAL A 26 44.688 45.653 17.418 1.00 0.00 C ATOM 404 O VAL A 26 45.221 46.758 17.474 1.00 0.00 O ATOM 405 CB VAL A 26 42.567 45.157 18.716 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.118 45.979 19.877 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.053 45.346 18.708 1.00 0.00 C ATOM 0 H VAL A 26 42.196 43.858 16.651 1.00 0.00 H new ATOM 0 HA VAL A 26 42.788 46.554 17.137 1.00 0.00 H new ATOM 0 HB VAL A 26 42.840 44.112 18.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.657 45.649 20.808 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.198 45.843 19.939 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.893 47.033 19.715 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.645 45.057 19.677 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.818 46.392 18.513 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.613 44.724 17.929 1.00 0.00 H new ATOM 417 N LYS A 27 45.406 44.541 17.290 1.00 0.00 N ATOM 418 CA LYS A 27 46.852 44.516 17.196 1.00 0.00 C ATOM 419 C LYS A 27 47.375 45.292 15.986 1.00 0.00 C ATOM 420 O LYS A 27 48.363 46.012 16.115 1.00 0.00 O ATOM 421 CB LYS A 27 47.354 43.076 17.137 1.00 0.00 C ATOM 422 CG LYS A 27 47.368 42.372 18.491 1.00 0.00 C ATOM 423 CD LYS A 27 47.809 40.920 18.326 1.00 0.00 C ATOM 424 CE LYS A 27 48.194 40.293 19.663 1.00 0.00 C ATOM 425 NZ LYS A 27 48.995 39.079 19.446 1.00 0.00 N ATOM 0 H LYS A 27 44.983 43.614 17.248 1.00 0.00 H new ATOM 0 HA LYS A 27 47.235 45.006 18.091 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.725 42.510 16.450 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.363 43.069 16.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.044 42.890 19.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.375 42.409 18.939 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.003 40.344 17.872 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.658 40.872 17.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.761 41.009 20.258 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.296 40.048 20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.446 38.797 20.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.378 38.311 19.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.728 39.269 18.733 1.00 0.00 H new ATOM 439 N ALA A 28 46.718 45.198 14.834 1.00 0.00 N ATOM 440 CA ALA A 28 47.086 45.965 13.661 1.00 0.00 C ATOM 441 C ALA A 28 46.903 47.473 13.853 1.00 0.00 C ATOM 442 O ALA A 28 47.782 48.236 13.462 1.00 0.00 O ATOM 443 CB ALA A 28 46.311 45.447 12.453 1.00 0.00 C ATOM 0 H ALA A 28 45.915 44.585 14.693 1.00 0.00 H new ATOM 0 HA ALA A 28 48.153 45.824 13.488 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.587 46.023 11.570 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.551 44.396 12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.241 45.551 12.635 1.00 0.00 H new ATOM 449 N LYS A 29 45.840 47.903 14.528 1.00 0.00 N ATOM 450 CA LYS A 29 45.619 49.291 14.874 1.00 0.00 C ATOM 451 C LYS A 29 46.629 49.811 15.899 1.00 0.00 C ATOM 452 O LYS A 29 47.063 50.956 15.793 1.00 0.00 O ATOM 453 CB LYS A 29 44.177 49.520 15.318 1.00 0.00 C ATOM 454 CG LYS A 29 43.211 49.411 14.141 1.00 0.00 C ATOM 455 CD LYS A 29 41.789 49.817 14.516 1.00 0.00 C ATOM 456 CE LYS A 29 40.915 49.778 13.265 1.00 0.00 C ATOM 457 NZ LYS A 29 39.529 50.173 13.561 1.00 0.00 N ATOM 0 H LYS A 29 45.100 47.281 14.852 1.00 0.00 H new ATOM 0 HA LYS A 29 45.784 49.878 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.908 48.789 16.081 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.087 50.505 15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.563 50.043 13.326 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.208 48.386 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.392 49.142 15.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.785 50.818 14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.330 50.444 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.926 48.773 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.963 50.135 12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.125 49.522 14.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.517 51.142 13.939 1.00 0.00 H new ATOM 471 N ILE A 30 47.071 48.984 16.843 1.00 0.00 N ATOM 472 CA ILE A 30 48.151 49.312 17.751 1.00 0.00 C ATOM 473 C ILE A 30 49.473 49.443 16.994 1.00 0.00 C ATOM 474 O ILE A 30 50.183 50.430 17.174 1.00 0.00 O ATOM 475 CB ILE A 30 48.206 48.315 18.906 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.988 48.488 19.808 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.487 48.456 19.723 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.774 47.361 20.814 1.00 0.00 C ATOM 0 H ILE A 30 46.679 48.055 16.996 1.00 0.00 H new ATOM 0 HA ILE A 30 47.961 50.287 18.200 1.00 0.00 H new ATOM 0 HB ILE A 30 48.200 47.314 18.475 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.086 49.428 20.351 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.099 48.572 19.183 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.483 47.727 20.534 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.350 48.280 19.080 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.544 49.462 20.139 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.886 47.570 21.411 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.640 46.419 20.282 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.642 47.288 21.469 1.00 0.00 H new ATOM 490 N GLN A 31 49.791 48.523 16.086 1.00 0.00 N ATOM 491 CA GLN A 31 50.981 48.575 15.261 1.00 0.00 C ATOM 492 C GLN A 31 51.077 49.877 14.462 1.00 0.00 C ATOM 493 O GLN A 31 52.162 50.448 14.382 1.00 0.00 O ATOM 494 CB GLN A 31 51.000 47.365 14.332 1.00 0.00 C ATOM 495 CG GLN A 31 52.218 47.301 13.414 1.00 0.00 C ATOM 496 CD GLN A 31 52.129 46.165 12.394 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.052 45.743 11.978 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.266 45.631 11.956 1.00 0.00 N ATOM 0 H GLN A 31 49.210 47.704 15.904 1.00 0.00 H new ATOM 0 HA GLN A 31 51.852 48.550 15.916 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.965 46.457 14.935 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.098 47.376 13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.321 48.250 12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.116 47.172 14.018 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.160 45.981 12.301 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.244 44.872 11.275 1.00 0.00 H new ATOM 507 N ASP A 32 49.965 50.386 13.938 1.00 0.00 N ATOM 508 CA ASP A 32 49.888 51.596 13.146 1.00 0.00 C ATOM 509 C ASP A 32 50.407 52.854 13.848 1.00 0.00 C ATOM 510 O ASP A 32 50.783 53.809 13.173 1.00 0.00 O ATOM 511 CB ASP A 32 48.440 51.783 12.701 1.00 0.00 C ATOM 512 CG ASP A 32 48.247 52.796 11.572 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.168 52.969 10.745 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.137 53.357 11.441 1.00 0.00 O ATOM 0 H ASP A 32 49.056 49.941 14.063 1.00 0.00 H new ATOM 0 HA ASP A 32 50.553 51.466 12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.046 50.819 12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.848 52.099 13.560 1.00 0.00 H new ATOM 519 N LYS A 33 50.465 52.846 15.177 1.00 0.00 N ATOM 520 CA LYS A 33 50.906 53.954 16.000 1.00 0.00 C ATOM 521 C LYS A 33 51.985 53.650 17.041 1.00 0.00 C ATOM 522 O LYS A 33 52.590 54.597 17.537 1.00 0.00 O ATOM 523 CB LYS A 33 49.672 54.624 16.595 1.00 0.00 C ATOM 524 CG LYS A 33 48.916 53.781 17.619 1.00 0.00 C ATOM 525 CD LYS A 33 47.506 54.318 17.847 1.00 0.00 C ATOM 526 CE LYS A 33 46.609 53.986 16.658 1.00 0.00 C ATOM 527 NZ LYS A 33 45.289 54.628 16.747 1.00 0.00 N ATOM 0 H LYS A 33 50.193 52.031 15.727 1.00 0.00 H new ATOM 0 HA LYS A 33 51.440 54.640 15.342 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.976 55.558 17.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.991 54.883 15.785 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.863 52.748 17.275 1.00 0.00 H new ATOM 0 HG3 LYS A 33 49.462 53.775 18.562 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.089 53.886 18.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.541 55.398 17.994 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.101 54.301 15.738 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.480 52.905 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.720 54.370 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.805 54.308 17.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.407 55.661 16.778 1.00 0.00 H new ATOM 541 N GLU A 34 52.264 52.386 17.349 1.00 0.00 N ATOM 542 CA GLU A 34 53.285 51.942 18.275 1.00 0.00 C ATOM 543 C GLU A 34 54.443 51.163 17.649 1.00 0.00 C ATOM 544 O GLU A 34 55.466 50.970 18.305 1.00 0.00 O ATOM 545 CB GLU A 34 52.666 51.104 19.390 1.00 0.00 C ATOM 546 CG GLU A 34 51.876 51.911 20.416 1.00 0.00 C ATOM 547 CD GLU A 34 52.790 52.839 21.219 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.750 52.350 21.853 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.595 54.072 21.177 1.00 0.00 O ATOM 0 H GLU A 34 51.753 51.608 16.933 1.00 0.00 H new ATOM 0 HA GLU A 34 53.718 52.863 18.665 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.007 50.359 18.945 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.459 50.562 19.904 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.112 52.500 19.908 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.357 51.233 21.094 1.00 0.00 H new ATOM 556 N GLY A 35 54.317 50.705 16.406 1.00 0.00 N ATOM 557 CA GLY A 35 55.401 50.122 15.644 1.00 0.00 C ATOM 558 C GLY A 35 55.742 48.654 15.909 1.00 0.00 C ATOM 559 O GLY A 35 56.610 48.116 15.225 1.00 0.00 O ATOM 0 H GLY A 35 53.435 50.733 15.895 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.162 50.226 14.586 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.298 50.714 15.828 1.00 0.00 H new ATOM 563 N ILE A 36 55.068 47.984 16.840 1.00 0.00 N ATOM 564 CA ILE A 36 55.314 46.604 17.206 1.00 0.00 C ATOM 565 C ILE A 36 54.411 45.671 16.396 1.00 0.00 C ATOM 566 O ILE A 36 53.197 45.855 16.446 1.00 0.00 O ATOM 567 CB ILE A 36 55.165 46.403 18.710 1.00 0.00 C ATOM 568 CG1 ILE A 36 56.104 47.339 19.466 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.435 44.951 19.091 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.107 47.195 20.985 1.00 0.00 C ATOM 0 H ILE A 36 54.310 48.408 17.375 1.00 0.00 H new ATOM 0 HA ILE A 36 56.345 46.350 16.960 1.00 0.00 H new ATOM 0 HB ILE A 36 54.138 46.642 18.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.119 47.176 19.103 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.838 48.367 19.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.323 44.831 20.169 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.725 44.302 18.578 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.450 44.681 18.799 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.809 47.908 21.417 1.00 0.00 H new ATOM 0 HD12 ILE A 36 55.107 47.392 21.371 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.407 46.182 21.254 1.00 0.00 H new ATOM 582 N PRO A 37 54.927 44.668 15.691 1.00 0.00 N ATOM 583 CA PRO A 37 54.125 43.721 14.942 1.00 0.00 C ATOM 584 C PRO A 37 53.150 42.896 15.783 1.00 0.00 C ATOM 585 O PRO A 37 53.463 42.607 16.936 1.00 0.00 O ATOM 586 CB PRO A 37 55.108 42.815 14.206 1.00 0.00 C ATOM 587 CG PRO A 37 56.377 43.655 14.100 1.00 0.00 C ATOM 588 CD PRO A 37 56.330 44.467 15.391 1.00 0.00 C ATOM 0 HA PRO A 37 53.476 44.277 14.265 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.286 41.890 14.755 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.732 42.534 13.222 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.272 43.036 14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.371 44.293 13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.830 43.938 16.202 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.843 45.421 15.270 1.00 0.00 H new ATOM 596 N PRO A 38 52.009 42.466 15.251 1.00 0.00 N ATOM 597 CA PRO A 38 51.011 41.707 15.977 1.00 0.00 C ATOM 598 C PRO A 38 51.513 40.476 16.734 1.00 0.00 C ATOM 599 O PRO A 38 51.101 40.249 17.869 1.00 0.00 O ATOM 600 CB PRO A 38 49.975 41.306 14.931 1.00 0.00 C ATOM 601 CG PRO A 38 50.017 42.471 13.946 1.00 0.00 C ATOM 602 CD PRO A 38 51.505 42.811 13.937 1.00 0.00 C ATOM 0 HA PRO A 38 50.620 42.336 16.777 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.230 40.361 14.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 48.985 41.183 15.370 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.656 42.186 12.958 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.407 43.311 14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.027 42.251 13.161 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.661 43.869 13.726 1.00 0.00 H new ATOM 610 N ASP A 39 52.438 39.703 16.171 1.00 0.00 N ATOM 611 CA ASP A 39 53.000 38.539 16.826 1.00 0.00 C ATOM 612 C ASP A 39 53.953 38.883 17.973 1.00 0.00 C ATOM 613 O ASP A 39 54.187 38.046 18.843 1.00 0.00 O ATOM 614 CB ASP A 39 53.641 37.601 15.809 1.00 0.00 C ATOM 615 CG ASP A 39 55.135 37.850 15.593 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.487 38.760 14.813 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.968 37.130 16.184 1.00 0.00 O ATOM 0 H ASP A 39 52.818 39.873 15.240 1.00 0.00 H new ATOM 0 HA ASP A 39 52.168 38.015 17.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.498 36.572 16.138 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.123 37.706 14.856 1.00 0.00 H new ATOM 622 N GLN A 40 54.483 40.102 18.014 1.00 0.00 N ATOM 623 CA GLN A 40 55.313 40.625 19.079 1.00 0.00 C ATOM 624 C GLN A 40 54.515 41.344 20.169 1.00 0.00 C ATOM 625 O GLN A 40 55.078 41.673 21.210 1.00 0.00 O ATOM 626 CB GLN A 40 56.382 41.538 18.484 1.00 0.00 C ATOM 627 CG GLN A 40 57.388 40.811 17.597 1.00 0.00 C ATOM 628 CD GLN A 40 58.455 41.742 17.017 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.711 42.835 17.517 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.119 41.340 15.937 1.00 0.00 N ATOM 0 H GLN A 40 54.334 40.780 17.266 1.00 0.00 H new ATOM 0 HA GLN A 40 55.786 39.777 19.574 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.895 42.320 17.901 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.917 42.032 19.295 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.874 40.026 18.176 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.857 40.322 16.780 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.910 40.434 15.518 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.837 41.938 15.528 1.00 0.00 H new ATOM 639 N GLN A 41 53.217 41.558 19.969 1.00 0.00 N ATOM 640 CA GLN A 41 52.321 42.105 20.968 1.00 0.00 C ATOM 641 C GLN A 41 51.692 40.990 21.805 1.00 0.00 C ATOM 642 O GLN A 41 50.946 40.180 21.261 1.00 0.00 O ATOM 643 CB GLN A 41 51.220 42.932 20.311 1.00 0.00 C ATOM 644 CG GLN A 41 51.690 44.203 19.609 1.00 0.00 C ATOM 645 CD GLN A 41 50.524 44.924 18.931 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.418 45.019 19.457 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.701 45.449 17.722 1.00 0.00 N ATOM 0 H GLN A 41 52.754 41.349 19.084 1.00 0.00 H new ATOM 0 HA GLN A 41 52.909 42.749 21.622 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.702 42.306 19.585 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.490 43.206 21.073 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.161 44.868 20.333 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.447 43.952 18.866 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.611 45.382 17.265 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.927 45.918 17.251 1.00 0.00 H new ATOM 656 N ARG A 42 51.910 40.975 23.117 1.00 0.00 N ATOM 657 CA ARG A 42 51.125 40.200 24.058 1.00 0.00 C ATOM 658 C ARG A 42 50.161 41.138 24.789 1.00 0.00 C ATOM 659 O ARG A 42 50.596 42.015 25.531 1.00 0.00 O ATOM 660 CB ARG A 42 52.017 39.428 25.026 1.00 0.00 C ATOM 661 CG ARG A 42 52.938 38.417 24.349 1.00 0.00 C ATOM 662 CD ARG A 42 53.612 37.472 25.339 1.00 0.00 C ATOM 663 NE ARG A 42 54.370 38.172 26.377 1.00 0.00 N ATOM 664 CZ ARG A 42 54.147 38.177 27.698 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.101 37.585 28.290 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.013 38.841 28.475 1.00 0.00 N ATOM 0 H ARG A 42 52.654 41.514 23.559 1.00 0.00 H new ATOM 0 HA ARG A 42 50.546 39.451 23.518 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.624 40.137 25.589 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.387 38.905 25.746 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.363 37.833 23.631 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.703 38.951 23.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.853 36.848 25.811 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.282 36.804 24.797 1.00 0.00 H new ATOM 0 HE ARG A 42 55.165 38.724 26.055 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.410 37.089 27.727 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.996 37.630 29.304 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.810 39.321 28.056 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.876 38.867 29.485 1.00 0.00 H new ATOM 680 N LEU A 43 48.862 41.004 24.537 1.00 0.00 N ATOM 681 CA LEU A 43 47.843 41.883 25.072 1.00 0.00 C ATOM 682 C LEU A 43 47.209 41.300 26.337 1.00 0.00 C ATOM 683 O LEU A 43 46.809 40.138 26.356 1.00 0.00 O ATOM 684 CB LEU A 43 46.818 42.208 23.990 1.00 0.00 C ATOM 685 CG LEU A 43 47.360 43.012 22.811 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.249 43.198 21.780 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.864 44.395 23.212 1.00 0.00 C ATOM 0 H LEU A 43 48.487 40.265 23.943 1.00 0.00 H new ATOM 0 HA LEU A 43 48.306 42.821 25.377 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.401 41.274 23.613 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.997 42.764 24.443 1.00 0.00 H new ATOM 0 HG LEU A 43 48.203 42.450 22.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.629 43.772 20.935 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.908 42.223 21.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.416 43.733 22.236 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.236 44.916 22.330 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.047 44.966 23.653 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.669 44.292 23.939 1.00 0.00 H new ATOM 699 N ILE A 44 47.121 42.129 27.373 1.00 0.00 N ATOM 700 CA ILE A 44 46.653 41.790 28.700 1.00 0.00 C ATOM 701 C ILE A 44 45.425 42.628 29.060 1.00 0.00 C ATOM 702 O ILE A 44 45.445 43.852 28.948 1.00 0.00 O ATOM 703 CB ILE A 44 47.751 41.952 29.748 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.095 41.319 29.399 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.280 41.466 31.116 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.111 39.802 29.238 1.00 0.00 C ATOM 0 H ILE A 44 47.391 43.110 27.298 1.00 0.00 H new ATOM 0 HA ILE A 44 46.369 40.738 28.694 1.00 0.00 H new ATOM 0 HB ILE A 44 47.939 43.025 29.772 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.451 41.765 28.470 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.811 41.587 30.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.082 41.593 31.843 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.411 42.045 31.429 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.010 40.412 31.054 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.120 39.473 28.991 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.795 39.334 30.170 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.429 39.514 28.438 1.00 0.00 H new ATOM 718 N PHE A 45 44.368 41.982 29.545 1.00 0.00 N ATOM 719 CA PHE A 45 43.193 42.607 30.117 1.00 0.00 C ATOM 720 C PHE A 45 42.737 41.809 31.340 1.00 0.00 C ATOM 721 O PHE A 45 42.763 40.581 31.300 1.00 0.00 O ATOM 722 CB PHE A 45 42.083 42.680 29.073 1.00 0.00 C ATOM 723 CG PHE A 45 40.743 43.109 29.622 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.595 44.394 30.158 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.664 42.218 29.650 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.384 44.775 30.749 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.445 42.605 30.219 1.00 0.00 C ATOM 728 CZ PHE A 45 38.307 43.881 30.778 1.00 0.00 C ATOM 0 H PHE A 45 44.311 40.964 29.547 1.00 0.00 H new ATOM 0 HA PHE A 45 43.434 43.623 30.431 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.382 43.377 28.290 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.975 41.701 28.605 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.417 45.093 30.116 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.772 41.228 29.231 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.281 45.759 31.183 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.611 41.919 30.227 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.372 44.175 31.231 1.00 0.00 H new ATOM 738 N ALA A 46 42.330 42.471 32.419 1.00 0.00 N ATOM 739 CA ALA A 46 41.865 41.842 33.639 1.00 0.00 C ATOM 740 C ALA A 46 42.782 40.733 34.160 1.00 0.00 C ATOM 741 O ALA A 46 42.339 39.661 34.564 1.00 0.00 O ATOM 742 CB ALA A 46 40.402 41.447 33.467 1.00 0.00 C ATOM 0 H ALA A 46 42.316 43.490 32.464 1.00 0.00 H new ATOM 0 HA ALA A 46 41.917 42.568 34.450 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.043 40.973 34.381 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.807 42.337 33.262 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.309 40.749 32.635 1.00 0.00 H new ATOM 748 N GLY A 47 44.090 40.970 34.098 1.00 0.00 N ATOM 749 CA GLY A 47 45.140 40.073 34.535 1.00 0.00 C ATOM 750 C GLY A 47 45.451 38.883 33.626 1.00 0.00 C ATOM 751 O GLY A 47 46.412 38.171 33.909 1.00 0.00 O ATOM 0 H GLY A 47 44.459 41.843 33.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.054 40.654 34.659 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.871 39.688 35.519 1.00 0.00 H new ATOM 755 N LYS A 48 44.711 38.673 32.541 1.00 0.00 N ATOM 756 CA LYS A 48 44.810 37.542 31.641 1.00 0.00 C ATOM 757 C LYS A 48 45.223 37.949 30.225 1.00 0.00 C ATOM 758 O LYS A 48 44.931 39.058 29.783 1.00 0.00 O ATOM 759 CB LYS A 48 43.522 36.724 31.673 1.00 0.00 C ATOM 760 CG LYS A 48 42.258 37.526 31.383 1.00 0.00 C ATOM 761 CD LYS A 48 40.984 36.687 31.456 1.00 0.00 C ATOM 762 CE LYS A 48 39.804 37.642 31.296 1.00 0.00 C ATOM 763 NZ LYS A 48 38.506 36.969 31.454 1.00 0.00 N ATOM 0 H LYS A 48 43.985 39.330 32.255 1.00 0.00 H new ATOM 0 HA LYS A 48 45.617 36.901 31.997 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.601 35.917 30.945 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.426 36.259 32.654 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.185 38.348 32.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.337 37.970 30.391 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.976 35.931 30.671 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.925 36.159 32.408 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.886 38.442 32.032 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.850 38.108 30.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.739 37.662 31.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.412 36.223 30.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.447 36.546 32.402 1.00 0.00 H new ATOM 777 N GLN A 49 45.900 37.054 29.511 1.00 0.00 N ATOM 778 CA GLN A 49 46.370 37.270 28.158 1.00 0.00 C ATOM 779 C GLN A 49 45.301 36.909 27.124 1.00 0.00 C ATOM 780 O GLN A 49 44.559 35.944 27.297 1.00 0.00 O ATOM 781 CB GLN A 49 47.684 36.527 27.934 1.00 0.00 C ATOM 782 CG GLN A 49 48.426 36.940 26.667 1.00 0.00 C ATOM 783 CD GLN A 49 49.757 36.199 26.528 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.780 36.609 27.074 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.798 35.083 25.807 1.00 0.00 N ATOM 0 H GLN A 49 46.141 36.132 29.875 1.00 0.00 H new ATOM 0 HA GLN A 49 46.567 38.333 28.022 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.334 36.693 28.793 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.481 35.457 27.891 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.803 36.736 25.797 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.607 38.015 26.685 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.953 34.738 25.352 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.675 34.571 25.709 1.00 0.00 H new ATOM 794 N LEU A 50 45.243 37.667 26.032 1.00 0.00 N ATOM 795 CA LEU A 50 44.292 37.501 24.951 1.00 0.00 C ATOM 796 C LEU A 50 44.867 36.669 23.802 1.00 0.00 C ATOM 797 O LEU A 50 46.075 36.640 23.584 1.00 0.00 O ATOM 798 CB LEU A 50 43.797 38.872 24.501 1.00 0.00 C ATOM 799 CG LEU A 50 43.323 39.803 25.613 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.749 41.088 25.021 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.257 39.186 26.514 1.00 0.00 C ATOM 0 H LEU A 50 45.886 38.443 25.876 1.00 0.00 H new ATOM 0 HA LEU A 50 43.436 36.932 25.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.601 39.367 23.956 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.976 38.729 23.798 1.00 0.00 H new ATOM 0 HG LEU A 50 44.205 40.003 26.221 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.415 41.742 25.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.517 41.595 24.437 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.904 40.846 24.376 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.968 39.905 27.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.384 38.922 25.917 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.656 38.290 26.989 1.00 0.00 H new ATOM 813 N GLU A 51 44.004 35.981 23.060 1.00 0.00 N ATOM 814 CA GLU A 51 44.334 35.147 21.922 1.00 0.00 C ATOM 815 C GLU A 51 43.967 35.800 20.588 1.00 0.00 C ATOM 816 O GLU A 51 42.950 36.479 20.471 1.00 0.00 O ATOM 817 CB GLU A 51 43.635 33.794 22.019 1.00 0.00 C ATOM 818 CG GLU A 51 44.108 32.934 23.187 1.00 0.00 C ATOM 819 CD GLU A 51 43.352 31.604 23.192 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.319 31.493 23.888 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.750 30.669 22.464 1.00 0.00 O ATOM 0 H GLU A 51 43.002 35.995 23.252 1.00 0.00 H new ATOM 0 HA GLU A 51 45.415 35.012 21.949 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.561 33.957 22.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.795 33.247 21.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.180 32.753 23.106 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.943 33.460 24.128 1.00 0.00 H new ATOM 828 N ASP A 52 44.757 35.532 19.552 1.00 0.00 N ATOM 829 CA ASP A 52 44.642 36.161 18.251 1.00 0.00 C ATOM 830 C ASP A 52 43.329 35.844 17.531 1.00 0.00 C ATOM 831 O ASP A 52 42.758 36.718 16.883 1.00 0.00 O ATOM 832 CB ASP A 52 45.836 35.761 17.389 1.00 0.00 C ATOM 833 CG ASP A 52 47.163 36.295 17.934 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.388 37.523 17.874 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.006 35.498 18.397 1.00 0.00 O ATOM 0 H ASP A 52 45.515 34.851 19.602 1.00 0.00 H new ATOM 0 HA ASP A 52 44.637 37.239 18.415 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.885 34.674 17.325 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.688 36.133 16.375 1.00 0.00 H new ATOM 840 N GLY A 53 42.802 34.631 17.666 1.00 0.00 N ATOM 841 CA GLY A 53 41.587 34.186 17.013 1.00 0.00 C ATOM 842 C GLY A 53 40.269 34.662 17.624 1.00 0.00 C ATOM 843 O GLY A 53 39.213 34.249 17.149 1.00 0.00 O ATOM 0 H GLY A 53 43.226 33.912 18.252 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.619 34.513 15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.584 33.096 17.004 1.00 0.00 H new ATOM 847 N ARG A 54 40.296 35.477 18.675 1.00 0.00 N ATOM 848 CA ARG A 54 39.139 35.907 19.435 1.00 0.00 C ATOM 849 C ARG A 54 38.681 37.330 19.112 1.00 0.00 C ATOM 850 O ARG A 54 39.405 38.094 18.476 1.00 0.00 O ATOM 851 CB ARG A 54 39.437 35.734 20.921 1.00 0.00 C ATOM 852 CG ARG A 54 39.428 34.285 21.399 1.00 0.00 C ATOM 853 CD ARG A 54 38.051 33.790 21.832 1.00 0.00 C ATOM 854 NE ARG A 54 37.072 33.723 20.747 1.00 0.00 N ATOM 855 CZ ARG A 54 36.940 32.744 19.843 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.821 31.744 19.705 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.896 32.726 19.002 1.00 0.00 N ATOM 0 H ARG A 54 41.167 35.870 19.031 1.00 0.00 H new ATOM 0 HA ARG A 54 38.298 35.277 19.146 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.413 36.169 21.137 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.702 36.298 21.495 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.799 33.645 20.598 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.120 34.183 22.235 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.155 32.799 22.274 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.669 34.449 22.612 1.00 0.00 H new ATOM 0 HE ARG A 54 36.421 34.505 20.671 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.644 31.702 20.307 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.669 31.024 18.998 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.192 33.463 19.047 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.806 31.975 18.317 1.00 0.00 H new ATOM 871 N THR A 55 37.488 37.688 19.579 1.00 0.00 N ATOM 872 CA THR A 55 36.917 39.017 19.507 1.00 0.00 C ATOM 873 C THR A 55 36.726 39.653 20.885 1.00 0.00 C ATOM 874 O THR A 55 36.669 38.960 21.899 1.00 0.00 O ATOM 875 CB THR A 55 35.597 39.042 18.740 1.00 0.00 C ATOM 876 OG1 THR A 55 34.604 38.280 19.389 1.00 0.00 O ATOM 877 CG2 THR A 55 35.709 38.522 17.311 1.00 0.00 C ATOM 0 H THR A 55 36.868 37.022 20.039 1.00 0.00 H new ATOM 0 HA THR A 55 37.646 39.612 18.958 1.00 0.00 H new ATOM 0 HB THR A 55 35.323 40.096 18.710 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.930 37.366 19.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.733 38.570 16.829 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.419 39.135 16.755 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.056 37.489 17.326 1.00 0.00 H new ATOM 885 N LEU A 56 36.612 40.978 20.935 1.00 0.00 N ATOM 886 CA LEU A 56 36.493 41.736 22.164 1.00 0.00 C ATOM 887 C LEU A 56 35.297 41.336 23.031 1.00 0.00 C ATOM 888 O LEU A 56 35.420 41.264 24.251 1.00 0.00 O ATOM 889 CB LEU A 56 36.443 43.220 21.814 1.00 0.00 C ATOM 890 CG LEU A 56 37.711 43.796 21.192 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.464 45.263 20.851 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.917 43.729 22.127 1.00 0.00 C ATOM 0 H LEU A 56 36.600 41.562 20.099 1.00 0.00 H new ATOM 0 HA LEU A 56 37.368 41.511 22.775 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.615 43.384 21.124 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.218 43.781 22.721 1.00 0.00 H new ATOM 0 HG LEU A 56 37.937 43.198 20.309 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.363 45.689 20.405 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.637 45.338 20.144 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.215 45.811 21.760 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.788 44.154 21.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.706 44.296 23.034 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.118 42.690 22.387 1.00 0.00 H new ATOM 904 N SER A 57 34.157 41.021 22.422 1.00 0.00 N ATOM 905 CA SER A 57 32.977 40.530 23.105 1.00 0.00 C ATOM 906 C SER A 57 33.170 39.170 23.777 1.00 0.00 C ATOM 907 O SER A 57 32.616 38.954 24.852 1.00 0.00 O ATOM 908 CB SER A 57 31.792 40.445 22.146 1.00 0.00 C ATOM 909 OG SER A 57 32.124 39.727 20.979 1.00 0.00 O ATOM 0 H SER A 57 34.031 41.105 21.413 1.00 0.00 H new ATOM 0 HA SER A 57 32.780 41.255 23.895 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.952 39.962 22.645 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.468 41.450 21.876 1.00 0.00 H new ATOM 0 HG SER A 57 32.551 40.329 20.335 1.00 0.00 H new ATOM 915 N ASP A 58 33.992 38.281 23.227 1.00 0.00 N ATOM 916 CA ASP A 58 34.273 36.991 23.825 1.00 0.00 C ATOM 917 C ASP A 58 34.975 37.130 25.177 1.00 0.00 C ATOM 918 O ASP A 58 34.810 36.288 26.058 1.00 0.00 O ATOM 919 CB ASP A 58 35.146 36.134 22.910 1.00 0.00 C ATOM 920 CG ASP A 58 34.585 35.905 21.506 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.381 35.972 20.545 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.386 35.581 21.355 1.00 0.00 O ATOM 0 H ASP A 58 34.483 38.442 22.347 1.00 0.00 H new ATOM 0 HA ASP A 58 33.308 36.506 23.972 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.125 36.606 22.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.301 35.165 23.385 1.00 0.00 H new ATOM 927 N TYR A 59 35.717 38.217 25.369 1.00 0.00 N ATOM 928 CA TYR A 59 36.385 38.573 26.605 1.00 0.00 C ATOM 929 C TYR A 59 35.603 39.546 27.490 1.00 0.00 C ATOM 930 O TYR A 59 36.117 39.921 28.541 1.00 0.00 O ATOM 931 CB TYR A 59 37.774 39.112 26.278 1.00 0.00 C ATOM 932 CG TYR A 59 38.722 38.075 25.727 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.127 37.014 26.546 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.236 38.201 24.430 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.038 36.063 26.070 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.172 37.274 23.956 1.00 0.00 C ATOM 937 CZ TYR A 59 40.563 36.193 24.770 1.00 0.00 C ATOM 938 OH TYR A 59 41.463 35.275 24.309 1.00 0.00 O ATOM 0 H TYR A 59 35.872 38.902 24.629 1.00 0.00 H new ATOM 0 HA TYR A 59 36.460 37.664 27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.677 39.921 25.554 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.207 39.542 27.181 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.735 36.929 27.549 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.910 39.013 23.796 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.336 35.235 26.696 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.593 37.388 22.968 1.00 0.00 H new ATOM 0 HH TYR A 59 41.054 34.384 24.315 1.00 0.00 H new ATOM 948 N ASN A 60 34.402 39.968 27.105 1.00 0.00 N ATOM 949 CA ASN A 60 33.660 41.006 27.793 1.00 0.00 C ATOM 950 C ASN A 60 34.488 42.273 28.012 1.00 0.00 C ATOM 951 O ASN A 60 34.588 42.792 29.122 1.00 0.00 O ATOM 952 CB ASN A 60 32.999 40.422 29.039 1.00 0.00 C ATOM 953 CG ASN A 60 32.040 41.403 29.717 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.314 41.960 30.779 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.871 41.651 29.135 1.00 0.00 N ATOM 0 H ASN A 60 33.914 39.589 26.293 1.00 0.00 H new ATOM 0 HA ASN A 60 32.848 41.360 27.158 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.454 39.518 28.766 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.771 40.126 29.749 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.212 42.297 29.569 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.633 41.195 28.254 1.00 0.00 H new ATOM 962 N ILE A 61 35.118 42.773 26.952 1.00 0.00 N ATOM 963 CA ILE A 61 35.760 44.071 26.921 1.00 0.00 C ATOM 964 C ILE A 61 34.703 45.111 26.544 1.00 0.00 C ATOM 965 O ILE A 61 34.018 44.965 25.533 1.00 0.00 O ATOM 966 CB ILE A 61 36.982 44.044 26.008 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.060 43.145 26.608 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.530 45.451 25.786 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.171 42.747 25.641 1.00 0.00 C ATOM 0 H ILE A 61 35.194 42.267 26.070 1.00 0.00 H new ATOM 0 HA ILE A 61 36.155 44.349 27.898 1.00 0.00 H new ATOM 0 HB ILE A 61 36.680 43.643 25.041 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.506 43.656 27.461 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.588 42.240 26.989 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.401 45.403 25.132 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.762 46.072 25.324 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.819 45.884 26.744 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.890 42.109 26.155 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.743 42.204 24.798 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.675 43.642 25.278 1.00 0.00 H new ATOM 981 N GLN A 62 34.524 46.122 27.388 1.00 0.00 N ATOM 982 CA GLN A 62 33.430 47.071 27.345 1.00 0.00 C ATOM 983 C GLN A 62 33.912 48.522 27.396 1.00 0.00 C ATOM 984 O GLN A 62 35.094 48.778 27.614 1.00 0.00 O ATOM 985 CB GLN A 62 32.459 46.782 28.488 1.00 0.00 C ATOM 986 CG GLN A 62 32.005 45.328 28.565 1.00 0.00 C ATOM 987 CD GLN A 62 30.694 45.189 29.341 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.611 45.206 28.761 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.736 45.062 30.665 1.00 0.00 N ATOM 0 H GLN A 62 35.171 46.306 28.155 1.00 0.00 H new ATOM 0 HA GLN A 62 32.919 46.948 26.390 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.933 47.054 29.431 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.582 47.420 28.376 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.876 44.932 27.558 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.779 44.729 29.046 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.634 45.048 31.148 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.870 44.979 31.197 1.00 0.00 H new ATOM 998 N LYS A 63 33.008 49.481 27.226 1.00 0.00 N ATOM 999 CA LYS A 63 33.340 50.891 27.181 1.00 0.00 C ATOM 1000 C LYS A 63 34.142 51.358 28.397 1.00 0.00 C ATOM 1001 O LYS A 63 33.825 51.006 29.531 1.00 0.00 O ATOM 1002 CB LYS A 63 32.108 51.752 26.919 1.00 0.00 C ATOM 1003 CG LYS A 63 31.112 51.860 28.070 1.00 0.00 C ATOM 1004 CD LYS A 63 29.855 52.604 27.626 1.00 0.00 C ATOM 1005 CE LYS A 63 28.801 52.648 28.729 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.016 53.729 29.703 1.00 0.00 N ATOM 0 H LYS A 63 32.012 49.293 27.115 1.00 0.00 H new ATOM 0 HA LYS A 63 34.007 51.025 26.329 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.440 52.756 26.656 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.587 51.351 26.050 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.846 50.863 28.422 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.573 52.382 28.909 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.119 53.621 27.335 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.438 52.118 26.744 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.817 52.768 28.276 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.795 51.693 29.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.266 53.702 30.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.941 53.604 30.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.993 54.647 29.214 1.00 0.00 H new ATOM 1020 N GLU A 64 35.191 52.135 28.143 1.00 0.00 N ATOM 1021 CA GLU A 64 36.136 52.673 29.101 1.00 0.00 C ATOM 1022 C GLU A 64 36.962 51.653 29.887 1.00 0.00 C ATOM 1023 O GLU A 64 37.579 52.007 30.889 1.00 0.00 O ATOM 1024 CB GLU A 64 35.489 53.747 29.969 1.00 0.00 C ATOM 1025 CG GLU A 64 34.996 54.963 29.188 1.00 0.00 C ATOM 1026 CD GLU A 64 34.343 55.994 30.111 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.036 56.900 30.623 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.113 55.923 30.320 1.00 0.00 O ATOM 0 H GLU A 64 35.414 52.423 27.190 1.00 0.00 H new ATOM 0 HA GLU A 64 36.906 53.152 28.496 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.648 53.308 30.506 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.209 54.077 30.718 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.833 55.422 28.661 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.279 54.645 28.431 1.00 0.00 H new ATOM 1035 N SER A 65 37.045 50.404 29.441 1.00 0.00 N ATOM 1036 CA SER A 65 37.996 49.439 29.956 1.00 0.00 C ATOM 1037 C SER A 65 39.425 49.712 29.481 1.00 0.00 C ATOM 1038 O SER A 65 39.628 50.150 28.350 1.00 0.00 O ATOM 1039 CB SER A 65 37.583 48.013 29.606 1.00 0.00 C ATOM 1040 OG SER A 65 36.501 47.627 30.424 1.00 0.00 O ATOM 0 H SER A 65 36.445 50.034 28.704 1.00 0.00 H new ATOM 0 HA SER A 65 37.988 49.549 31.040 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.299 47.952 28.555 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.423 47.333 29.750 1.00 0.00 H new ATOM 0 HG SER A 65 36.232 46.712 30.200 1.00 0.00 H new ATOM 1046 N THR A 66 40.421 49.397 30.303 1.00 0.00 N ATOM 1047 CA THR A 66 41.827 49.567 30.002 1.00 0.00 C ATOM 1048 C THR A 66 42.520 48.256 29.621 1.00 0.00 C ATOM 1049 O THR A 66 42.579 47.309 30.401 1.00 0.00 O ATOM 1050 CB THR A 66 42.582 50.252 31.139 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.076 51.553 31.334 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.062 50.446 30.824 1.00 0.00 C ATOM 0 H THR A 66 40.259 49.002 31.229 1.00 0.00 H new ATOM 0 HA THR A 66 41.857 50.219 29.129 1.00 0.00 H new ATOM 0 HB THR A 66 42.457 49.608 32.009 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.563 51.987 32.066 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.552 50.937 31.665 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.527 49.476 30.649 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.166 51.064 29.932 1.00 0.00 H new ATOM 1060 N LEU A 67 43.098 48.236 28.423 1.00 0.00 N ATOM 1061 CA LEU A 67 43.951 47.206 27.865 1.00 0.00 C ATOM 1062 C LEU A 67 45.420 47.534 28.138 1.00 0.00 C ATOM 1063 O LEU A 67 45.814 48.697 28.127 1.00 0.00 O ATOM 1064 CB LEU A 67 43.655 47.144 26.369 1.00 0.00 C ATOM 1065 CG LEU A 67 44.328 46.026 25.579 1.00 0.00 C ATOM 1066 CD1 LEU A 67 43.743 44.661 25.934 1.00 0.00 C ATOM 1067 CD2 LEU A 67 44.099 46.256 24.088 1.00 0.00 C ATOM 0 H LEU A 67 42.967 49.007 27.768 1.00 0.00 H new ATOM 0 HA LEU A 67 43.756 46.236 28.322 1.00 0.00 H new ATOM 0 HB2 LEU A 67 42.577 47.049 26.240 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.947 48.096 25.926 1.00 0.00 H new ATOM 0 HG LEU A 67 45.390 46.037 25.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 44.245 43.888 25.353 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.888 44.468 26.997 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.677 44.651 25.706 1.00 0.00 H new ATOM 0 HD21 LEU A 67 44.578 45.459 23.519 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.029 46.257 23.880 1.00 0.00 H new ATOM 0 HD23 LEU A 67 44.526 47.216 23.798 1.00 0.00 H new ATOM 1079 N HIS A 68 46.260 46.519 28.315 1.00 0.00 N ATOM 1080 CA HIS A 68 47.695 46.648 28.480 1.00 0.00 C ATOM 1081 C HIS A 68 48.465 45.866 27.415 1.00 0.00 C ATOM 1082 O HIS A 68 47.983 44.870 26.881 1.00 0.00 O ATOM 1083 CB HIS A 68 48.099 46.186 29.877 1.00 0.00 C ATOM 1084 CG HIS A 68 47.661 47.116 30.975 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.439 48.136 31.519 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.462 47.062 31.639 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.699 48.684 32.486 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.512 48.063 32.590 1.00 0.00 N ATOM 0 H HIS A 68 45.943 45.550 28.348 1.00 0.00 H new ATOM 0 HA HIS A 68 47.953 47.700 28.357 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.675 45.199 30.060 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.183 46.080 29.915 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.647 46.378 31.456 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.012 49.514 33.101 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.774 48.291 33.257 1.00 0.00 H new ATOM 1096 N LEU A 69 49.694 46.303 27.151 1.00 0.00 N ATOM 1097 CA LEU A 69 50.643 45.659 26.266 1.00 0.00 C ATOM 1098 C LEU A 69 51.887 45.232 27.048 1.00 0.00 C ATOM 1099 O LEU A 69 52.425 46.017 27.827 1.00 0.00 O ATOM 1100 CB LEU A 69 50.956 46.640 25.140 1.00 0.00 C ATOM 1101 CG LEU A 69 52.040 46.207 24.159 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.676 44.944 23.385 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.269 47.317 23.136 1.00 0.00 C ATOM 0 H LEU A 69 50.066 47.155 27.571 1.00 0.00 H new ATOM 0 HA LEU A 69 50.233 44.747 25.833 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.039 46.824 24.580 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.254 47.590 25.584 1.00 0.00 H new ATOM 0 HG LEU A 69 52.930 46.003 24.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.488 44.688 22.704 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.516 44.123 24.083 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.764 45.118 22.814 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.044 47.010 22.433 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.343 47.509 22.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.584 48.225 23.649 1.00 0.00 H new ATOM 1115 N VAL A 70 52.357 44.013 26.798 1.00 0.00 N ATOM 1116 CA VAL A 70 53.678 43.532 27.146 1.00 0.00 C ATOM 1117 C VAL A 70 54.301 42.800 25.955 1.00 0.00 C ATOM 1118 O VAL A 70 53.633 42.479 24.975 1.00 0.00 O ATOM 1119 CB VAL A 70 53.688 42.685 28.415 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.302 43.494 29.650 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.784 41.458 28.343 1.00 0.00 C ATOM 0 H VAL A 70 51.795 43.305 26.325 1.00 0.00 H new ATOM 0 HA VAL A 70 54.295 44.400 27.377 1.00 0.00 H new ATOM 0 HB VAL A 70 54.720 42.345 28.499 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.323 42.849 30.529 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.009 44.313 29.784 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.298 43.899 29.521 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.844 40.906 29.281 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.755 41.774 28.173 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.106 40.816 27.523 1.00 0.00 H new ATOM 1131 N LEU A 71 55.611 42.579 26.007 1.00 0.00 N ATOM 1132 CA LEU A 71 56.430 42.035 24.941 1.00 0.00 C ATOM 1133 C LEU A 71 56.914 40.627 25.294 1.00 0.00 C ATOM 1134 O LEU A 71 56.614 40.111 26.369 1.00 0.00 O ATOM 1135 CB LEU A 71 57.566 43.020 24.684 1.00 0.00 C ATOM 1136 CG LEU A 71 57.266 44.188 23.749 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.087 45.055 24.184 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.504 45.077 23.670 1.00 0.00 C ATOM 0 H LEU A 71 56.155 42.788 26.844 1.00 0.00 H new ATOM 0 HA LEU A 71 55.857 41.919 24.021 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.887 43.426 25.643 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.410 42.465 24.275 1.00 0.00 H new ATOM 0 HG LEU A 71 56.998 43.750 22.787 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.943 45.861 23.464 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.185 44.445 24.231 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.290 45.479 25.167 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.306 45.918 23.005 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.748 45.451 24.665 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.343 44.499 23.284 1.00 0.00 H new ATOM 1150 N ARG A 72 57.689 39.997 24.416 1.00 0.00 N ATOM 1151 CA ARG A 72 58.587 38.918 24.775 1.00 0.00 C ATOM 1152 C ARG A 72 59.785 39.499 25.529 1.00 0.00 C ATOM 1153 O ARG A 72 60.653 40.126 24.925 1.00 0.00 O ATOM 1154 CB ARG A 72 59.022 38.131 23.542 1.00 0.00 C ATOM 1155 CG ARG A 72 57.917 37.202 23.048 1.00 0.00 C ATOM 1156 CD ARG A 72 58.399 36.247 21.960 1.00 0.00 C ATOM 1157 NE ARG A 72 58.410 36.839 20.623 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.387 36.895 19.760 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.138 36.543 20.096 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.594 37.315 18.505 1.00 0.00 N ATOM 0 H ARG A 72 57.707 40.229 23.423 1.00 0.00 H new ATOM 0 HA ARG A 72 58.069 38.214 25.426 1.00 0.00 H new ATOM 0 HB2 ARG A 72 59.298 38.823 22.747 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.911 37.546 23.778 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.530 36.625 23.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.090 37.799 22.663 1.00 0.00 H new ATOM 0 HD2 ARG A 72 59.405 35.908 22.206 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.758 35.365 21.952 1.00 0.00 H new ATOM 0 HE ARG A 72 59.290 37.253 20.315 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.937 36.217 21.041 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.389 36.601 19.406 1.00 0.00 H new ATOM 0 HH21 ARG A 72 58.530 37.592 18.208 1.00 0.00 H new ATOM 0 HH22 ARG A 72 56.816 37.358 17.847 1.00 0.00 H new ATOM 1174 N LEU A 73 59.802 39.324 26.847 1.00 0.00 N ATOM 1175 CA LEU A 73 60.749 39.926 27.764 1.00 0.00 C ATOM 1176 C LEU A 73 61.582 38.851 28.465 1.00 0.00 C ATOM 1177 O LEU A 73 61.366 38.531 29.633 1.00 0.00 O ATOM 1178 CB LEU A 73 60.006 40.845 28.729 1.00 0.00 C ATOM 1179 CG LEU A 73 59.363 42.078 28.098 1.00 0.00 C ATOM 1180 CD1 LEU A 73 58.566 42.834 29.157 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.388 43.043 27.510 1.00 0.00 C ATOM 0 H LEU A 73 59.122 38.730 27.321 1.00 0.00 H new ATOM 0 HA LEU A 73 61.462 40.543 27.216 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.229 40.267 29.228 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.703 41.174 29.499 1.00 0.00 H new ATOM 0 HG LEU A 73 58.725 41.719 27.290 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.107 43.714 28.707 1.00 0.00 H new ATOM 0 HD12 LEU A 73 57.788 42.185 29.560 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.233 43.144 29.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.873 43.900 27.076 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.060 43.384 28.297 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.964 42.535 26.736 1.00 0.00 H new ATOM 1193 N ARG A 74 62.527 38.270 27.733 1.00 0.00 N ATOM 1194 CA ARG A 74 63.414 37.219 28.190 1.00 0.00 C ATOM 1195 C ARG A 74 64.440 37.720 29.207 1.00 0.00 C ATOM 1196 O ARG A 74 64.819 38.889 29.192 1.00 0.00 O ATOM 1197 CB ARG A 74 64.099 36.570 26.990 1.00 0.00 C ATOM 1198 CG ARG A 74 63.138 35.771 26.115 1.00 0.00 C ATOM 1199 CD ARG A 74 63.852 34.951 25.044 1.00 0.00 C ATOM 1200 NE ARG A 74 64.630 33.846 25.604 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.952 33.815 25.821 1.00 0.00 C ATOM 1202 NH1 ARG A 74 66.790 34.812 25.500 1.00 0.00 N ATOM 1203 NH2 ARG A 74 66.532 32.755 26.403 1.00 0.00 N ATOM 0 H ARG A 74 62.699 38.534 26.763 1.00 0.00 H new ATOM 0 HA ARG A 74 62.811 36.473 28.708 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.573 37.344 26.387 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.892 35.912 27.344 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.551 35.103 26.745 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.438 36.455 25.635 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.116 34.554 24.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.513 35.603 24.474 1.00 0.00 H new ATOM 0 HE ARG A 74 64.109 33.007 25.857 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.430 35.660 25.062 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.787 34.722 25.694 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.965 31.956 26.688 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.540 32.748 26.561 1.00 0.00 H new ATOM 1217 N GLY A 75 64.903 36.825 30.076 1.00 0.00 N ATOM 1218 CA GLY A 75 65.976 37.061 31.020 1.00 0.00 C ATOM 1219 C GLY A 75 66.269 35.840 31.893 1.00 0.00 C ATOM 1220 O GLY A 75 65.348 35.143 32.314 1.00 0.00 O ATOM 0 H GLY A 75 64.522 35.881 30.139 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.879 37.340 30.476 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.715 37.905 31.658 1.00 0.00 H new ATOM 1224 N GLY A 76 67.541 35.606 32.204 1.00 0.00 N ATOM 1225 CA GLY A 76 68.024 34.537 33.056 1.00 0.00 C ATOM 1226 C GLY A 76 69.550 34.491 33.140 1.00 0.00 C ATOM 1227 O GLY A 76 70.095 34.747 34.236 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.190 34.251 32.094 1.00 0.00 O ATOM 0 H GLY A 76 68.297 36.190 31.847 1.00 0.00 H new ATOM 0 HA2 GLY A 76 67.613 34.663 34.058 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.656 33.583 32.678 1.00 0.00 H new TER 1232 GLY A 76