USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 36 MET CE :methyl -164:sc= -0.0243 (180deg=-0.328) USER MOD Set 1.2: A 42 ASN : amide:sc= -0.256 X(o=-0.28,f=-0.47) USER MOD Set 1.3: B 51 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot -37:sc= 0.335 USER MOD Set 2.2: A 8 GLN : amide:sc= -2.14 K(o=-1.8,f=-8.7!) USER MOD Single : A 1 ALA N :NH3+ -125:sc= 0.125 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.13 (180deg=1.11) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= -0.0105 (180deg=-0.045) USER MOD Single : A 26 THR OG1 : rot 31:sc= -0.623 USER MOD Single : A 28 THR OG1 : rot 76:sc= -0.0358 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0556 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 93:sc= 0.89 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 44 THR OG1 : rot 170:sc= -0.346 USER MOD Single : A 49 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.38! X(o=-2.4!,f=-2.3) USER MOD Single : A 60 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 34:sc= -2.7! USER MOD Single : A 71 MET CE :methyl -164:sc= -1.17 (180deg=-2.47!) USER MOD Single : A 72 MET CE :methyl 173:sc=-0.00446 (180deg=-0.0843) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc=-0.00641 K(o=-0.0064,f=-1.5!) USER MOD Single : B 61 GLN :FLIP amide:sc=-0.00169 F(o=-1.3!,f=-0.0017) USER MOD Single : B 63 LYS NZ :NH3+ 178:sc= -0.441! (180deg=-0.454!) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.316 -17.543 -9.933 1.00 0.00 N ATOM 2 CA ALA A 1 -7.026 -18.820 -9.661 1.00 0.00 C ATOM 3 C ALA A 1 -7.927 -18.643 -8.446 1.00 0.00 C ATOM 4 O ALA A 1 -8.249 -17.521 -8.054 1.00 0.00 O ATOM 5 CB ALA A 1 -6.004 -19.934 -9.409 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.492 -17.250 -10.915 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.663 -16.808 -9.285 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.295 -17.676 -9.790 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.636 -19.094 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.527 -20.869 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.371 -20.052 -10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.386 -19.674 -8.549 1.00 0.00 H new ATOM 13 N ASP A 2 -8.334 -19.758 -7.864 1.00 0.00 N ATOM 14 CA ASP A 2 -9.209 -19.733 -6.703 1.00 0.00 C ATOM 15 C ASP A 2 -8.423 -19.472 -5.418 1.00 0.00 C ATOM 16 O ASP A 2 -9.004 -19.387 -4.335 1.00 0.00 O ATOM 17 CB ASP A 2 -9.936 -21.072 -6.611 1.00 0.00 C ATOM 18 CG ASP A 2 -8.923 -22.207 -6.677 1.00 0.00 C ATOM 19 OD1 ASP A 2 -7.750 -21.916 -6.846 1.00 0.00 O ATOM 20 OD2 ASP A 2 -9.332 -23.349 -6.558 1.00 0.00 O ATOM 0 H ASP A 2 -8.073 -20.693 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.927 -18.921 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.500 -21.128 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.655 -21.164 -7.425 1.00 0.00 H new ATOM 25 N GLN A 3 -7.100 -19.353 -5.543 1.00 0.00 N ATOM 26 CA GLN A 3 -6.235 -19.104 -4.385 1.00 0.00 C ATOM 27 C GLN A 3 -5.202 -18.021 -4.713 1.00 0.00 C ATOM 28 O GLN A 3 -5.131 -17.537 -5.842 1.00 0.00 O ATOM 29 CB GLN A 3 -5.525 -20.399 -3.987 1.00 0.00 C ATOM 30 CG GLN A 3 -6.562 -21.413 -3.490 1.00 0.00 C ATOM 31 CD GLN A 3 -5.875 -22.724 -3.119 1.00 0.00 C ATOM 32 OE1 GLN A 3 -4.889 -22.721 -2.383 1.00 0.00 O ATOM 33 NE2 GLN A 3 -6.339 -23.851 -3.590 1.00 0.00 N ATOM 0 H GLN A 3 -6.604 -19.425 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.849 -18.758 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.981 -20.806 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.791 -20.200 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.089 -21.012 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.309 -21.591 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.157 -23.851 -4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.884 -24.731 -3.348 1.00 0.00 H new ATOM 42 N LEU A 4 -4.407 -17.642 -3.712 1.00 0.00 N ATOM 43 CA LEU A 4 -3.385 -16.609 -3.893 1.00 0.00 C ATOM 44 C LEU A 4 -2.382 -17.022 -4.979 1.00 0.00 C ATOM 45 O LEU A 4 -2.666 -17.903 -5.792 1.00 0.00 O ATOM 46 CB LEU A 4 -2.665 -16.348 -2.553 1.00 0.00 C ATOM 47 CG LEU A 4 -3.468 -15.347 -1.702 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.433 -13.933 -2.333 1.00 0.00 C ATOM 49 CD2 LEU A 4 -4.921 -15.839 -1.582 1.00 0.00 C ATOM 0 H LEU A 4 -4.450 -18.033 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.868 -15.688 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.545 -17.285 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.665 -15.957 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.018 -15.283 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.007 -13.244 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.401 -13.589 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.866 -13.970 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.495 -15.134 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.363 -15.913 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.935 -16.819 -1.105 1.00 0.00 H new ATOM 61 N THR A 5 -1.215 -16.381 -4.986 1.00 0.00 N ATOM 62 CA THR A 5 -0.182 -16.685 -5.967 1.00 0.00 C ATOM 63 C THR A 5 1.160 -16.115 -5.506 1.00 0.00 C ATOM 64 O THR A 5 1.193 -15.208 -4.681 1.00 0.00 O ATOM 65 CB THR A 5 -0.571 -16.091 -7.319 1.00 0.00 C ATOM 66 OG1 THR A 5 -1.892 -16.497 -7.641 1.00 0.00 O ATOM 67 CG2 THR A 5 0.395 -16.584 -8.395 1.00 0.00 C ATOM 0 H THR A 5 -0.964 -15.648 -4.322 1.00 0.00 H new ATOM 0 HA THR A 5 -0.086 -17.766 -6.067 1.00 0.00 H new ATOM 0 HB THR A 5 -0.523 -15.003 -7.269 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.033 -17.420 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.115 -16.158 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.409 -16.274 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.351 -17.672 -8.452 1.00 0.00 H new ATOM 75 N GLU A 6 2.254 -16.645 -6.050 1.00 0.00 N ATOM 76 CA GLU A 6 3.594 -16.177 -5.684 1.00 0.00 C ATOM 77 C GLU A 6 3.678 -14.658 -5.766 1.00 0.00 C ATOM 78 O GLU A 6 3.992 -13.982 -4.789 1.00 0.00 O ATOM 79 CB GLU A 6 4.628 -16.806 -6.628 1.00 0.00 C ATOM 80 CG GLU A 6 6.042 -16.402 -6.202 1.00 0.00 C ATOM 81 CD GLU A 6 7.072 -17.072 -7.108 1.00 0.00 C ATOM 82 OE1 GLU A 6 6.703 -18.000 -7.811 1.00 0.00 O ATOM 83 OE2 GLU A 6 8.216 -16.646 -7.088 1.00 0.00 O ATOM 0 H GLU A 6 2.242 -17.394 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 6 3.801 -16.477 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.532 -17.892 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.442 -16.482 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.151 -15.319 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.215 -16.691 -5.165 1.00 0.00 H new ATOM 90 N GLU A 7 3.411 -14.130 -6.943 1.00 0.00 N ATOM 91 CA GLU A 7 3.466 -12.686 -7.144 1.00 0.00 C ATOM 92 C GLU A 7 2.770 -11.982 -5.973 1.00 0.00 C ATOM 93 O GLU A 7 3.366 -11.146 -5.304 1.00 0.00 O ATOM 94 CB GLU A 7 2.780 -12.313 -8.474 1.00 0.00 C ATOM 95 CG GLU A 7 1.783 -13.411 -8.841 1.00 0.00 C ATOM 96 CD GLU A 7 0.866 -12.953 -9.962 1.00 0.00 C ATOM 97 OE1 GLU A 7 1.369 -12.386 -10.918 1.00 0.00 O ATOM 98 OE2 GLU A 7 -0.329 -13.177 -9.851 1.00 0.00 O ATOM 0 H GLU A 7 3.156 -14.668 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 7 4.507 -12.365 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.268 -11.355 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.524 -12.200 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.320 -14.309 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.190 -13.678 -7.966 1.00 0.00 H new ATOM 105 N GLN A 8 1.497 -12.297 -5.763 1.00 0.00 N ATOM 106 CA GLN A 8 0.711 -11.667 -4.707 1.00 0.00 C ATOM 107 C GLN A 8 1.442 -11.616 -3.368 1.00 0.00 C ATOM 108 O GLN A 8 1.679 -10.534 -2.832 1.00 0.00 O ATOM 109 CB GLN A 8 -0.600 -12.436 -4.542 1.00 0.00 C ATOM 110 CG GLN A 8 -1.491 -12.204 -5.768 1.00 0.00 C ATOM 111 CD GLN A 8 -2.760 -13.046 -5.666 1.00 0.00 C ATOM 112 OE1 GLN A 8 -2.690 -14.275 -5.659 1.00 0.00 O ATOM 113 NE2 GLN A 8 -3.923 -12.456 -5.590 1.00 0.00 N ATOM 0 H GLN A 8 0.985 -12.988 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 8 0.528 -10.635 -5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.396 -13.500 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.114 -12.108 -3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.752 -11.148 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.947 -12.463 -6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.980 -11.438 -5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.775 -13.014 -5.525 1.00 0.00 H new ATOM 122 N ILE A 9 1.771 -12.776 -2.805 1.00 0.00 N ATOM 123 CA ILE A 9 2.432 -12.787 -1.513 1.00 0.00 C ATOM 124 C ILE A 9 3.700 -11.934 -1.549 1.00 0.00 C ATOM 125 O ILE A 9 3.910 -11.083 -0.685 1.00 0.00 O ATOM 126 CB ILE A 9 2.762 -14.222 -1.097 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.437 -14.958 -2.261 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.474 -14.960 -0.729 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.687 -16.414 -1.891 1.00 0.00 C ATOM 0 H ILE A 9 1.595 -13.694 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 9 1.754 -12.359 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 9 3.433 -14.195 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.807 -14.904 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.380 -14.472 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.712 -15.982 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.985 -14.447 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.806 -14.978 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.166 -16.924 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.336 -16.461 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.738 -16.900 -1.665 1.00 0.00 H new ATOM 141 N ALA A 10 4.545 -12.161 -2.541 1.00 0.00 N ATOM 142 CA ALA A 10 5.779 -11.404 -2.653 1.00 0.00 C ATOM 143 C ALA A 10 5.474 -9.915 -2.789 1.00 0.00 C ATOM 144 O ALA A 10 6.165 -9.072 -2.223 1.00 0.00 O ATOM 145 CB ALA A 10 6.557 -11.884 -3.882 1.00 0.00 C ATOM 0 H ALA A 10 4.401 -12.856 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 10 6.377 -11.560 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.484 -11.318 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.788 -12.944 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.953 -11.732 -4.777 1.00 0.00 H new ATOM 151 N GLU A 11 4.431 -9.611 -3.552 1.00 0.00 N ATOM 152 CA GLU A 11 4.025 -8.230 -3.790 1.00 0.00 C ATOM 153 C GLU A 11 3.687 -7.522 -2.483 1.00 0.00 C ATOM 154 O GLU A 11 4.163 -6.415 -2.231 1.00 0.00 O ATOM 155 CB GLU A 11 2.799 -8.211 -4.709 1.00 0.00 C ATOM 156 CG GLU A 11 2.503 -6.774 -5.137 1.00 0.00 C ATOM 157 CD GLU A 11 1.281 -6.743 -6.051 1.00 0.00 C ATOM 158 OE1 GLU A 11 0.895 -7.799 -6.527 1.00 0.00 O ATOM 159 OE2 GLU A 11 0.749 -5.665 -6.263 1.00 0.00 O ATOM 0 H GLU A 11 3.848 -10.306 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 11 4.856 -7.705 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.979 -8.833 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.937 -8.632 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.326 -6.153 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.366 -6.355 -5.655 1.00 0.00 H new ATOM 166 N PHE A 12 2.864 -8.155 -1.651 1.00 0.00 N ATOM 167 CA PHE A 12 2.482 -7.559 -0.384 1.00 0.00 C ATOM 168 C PHE A 12 3.708 -7.363 0.507 1.00 0.00 C ATOM 169 O PHE A 12 3.851 -6.329 1.150 1.00 0.00 O ATOM 170 CB PHE A 12 1.404 -8.446 0.294 1.00 0.00 C ATOM 171 CG PHE A 12 1.871 -8.963 1.640 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.913 -8.107 2.743 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.282 -10.291 1.770 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.362 -8.586 3.979 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.733 -10.769 3.000 1.00 0.00 C ATOM 176 CZ PHE A 12 2.773 -9.920 4.104 1.00 0.00 C ATOM 0 H PHE A 12 2.455 -9.071 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 12 2.053 -6.571 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.487 -7.871 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.163 -9.287 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.600 -7.078 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.251 -10.950 0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.392 -7.929 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.051 -11.797 3.097 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.121 -10.290 5.057 1.00 0.00 H new ATOM 186 N LYS A 13 4.573 -8.369 0.538 1.00 0.00 N ATOM 187 CA LYS A 13 5.771 -8.308 1.356 1.00 0.00 C ATOM 188 C LYS A 13 6.666 -7.157 0.917 1.00 0.00 C ATOM 189 O LYS A 13 7.169 -6.398 1.747 1.00 0.00 O ATOM 190 CB LYS A 13 6.535 -9.635 1.254 1.00 0.00 C ATOM 191 CG LYS A 13 7.831 -9.576 2.100 1.00 0.00 C ATOM 192 CD LYS A 13 9.043 -9.247 1.209 1.00 0.00 C ATOM 193 CE LYS A 13 9.573 -10.518 0.546 1.00 0.00 C ATOM 194 NZ LYS A 13 10.733 -10.162 -0.317 1.00 0.00 N ATOM 0 H LYS A 13 4.465 -9.233 0.007 1.00 0.00 H new ATOM 0 HA LYS A 13 5.477 -8.138 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.904 -10.453 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.782 -9.841 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.729 -8.821 2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.989 -10.531 2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.757 -8.523 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.829 -8.786 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.874 -11.241 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.790 -10.988 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.017 -10.991 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.465 -9.388 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.529 -9.858 0.279 1.00 0.00 H new ATOM 208 N GLU A 14 6.867 -7.034 -0.392 1.00 0.00 N ATOM 209 CA GLU A 14 7.708 -5.969 -0.927 1.00 0.00 C ATOM 210 C GLU A 14 7.101 -4.603 -0.619 1.00 0.00 C ATOM 211 O GLU A 14 7.741 -3.753 0.004 1.00 0.00 O ATOM 212 CB GLU A 14 7.825 -6.127 -2.444 1.00 0.00 C ATOM 213 CG GLU A 14 8.687 -7.348 -2.798 1.00 0.00 C ATOM 214 CD GLU A 14 10.134 -7.119 -2.380 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.674 -6.082 -2.728 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.683 -7.991 -1.726 1.00 0.00 O ATOM 0 H GLU A 14 6.463 -7.652 -1.096 1.00 0.00 H new ATOM 0 HA GLU A 14 8.692 -6.037 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.832 -6.237 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.265 -5.228 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.294 -8.234 -2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.638 -7.537 -3.870 1.00 0.00 H new ATOM 223 N ALA A 15 5.859 -4.399 -1.054 1.00 0.00 N ATOM 224 CA ALA A 15 5.182 -3.130 -0.819 1.00 0.00 C ATOM 225 C ALA A 15 5.160 -2.817 0.670 1.00 0.00 C ATOM 226 O ALA A 15 5.291 -1.661 1.075 1.00 0.00 O ATOM 227 CB ALA A 15 3.752 -3.197 -1.390 1.00 0.00 C ATOM 0 H ALA A 15 5.308 -5.089 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 15 5.722 -2.329 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.245 -2.248 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.797 -3.392 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.201 -3.999 -0.898 1.00 0.00 H new ATOM 233 N PHE A 16 5.007 -3.854 1.482 1.00 0.00 N ATOM 234 CA PHE A 16 4.981 -3.670 2.924 1.00 0.00 C ATOM 235 C PHE A 16 6.272 -3.007 3.413 1.00 0.00 C ATOM 236 O PHE A 16 6.236 -2.005 4.125 1.00 0.00 O ATOM 237 CB PHE A 16 4.782 -5.049 3.602 1.00 0.00 C ATOM 238 CG PHE A 16 5.545 -5.127 4.911 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.224 -4.268 5.967 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.604 -6.036 5.040 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.968 -4.320 7.151 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.337 -6.091 6.223 1.00 0.00 C ATOM 243 CZ PHE A 16 7.022 -5.232 7.275 1.00 0.00 C ATOM 0 H PHE A 16 4.900 -4.820 1.171 1.00 0.00 H new ATOM 0 HA PHE A 16 4.154 -3.011 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.721 -5.218 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.120 -5.840 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.407 -3.569 5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.852 -6.695 4.221 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.729 -3.656 7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.148 -6.797 6.325 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.594 -5.271 8.190 1.00 0.00 H new ATOM 253 N SER A 17 7.399 -3.590 3.046 1.00 0.00 N ATOM 254 CA SER A 17 8.690 -3.066 3.474 1.00 0.00 C ATOM 255 C SER A 17 8.983 -1.713 2.839 1.00 0.00 C ATOM 256 O SER A 17 9.814 -0.956 3.342 1.00 0.00 O ATOM 257 CB SER A 17 9.803 -4.051 3.111 1.00 0.00 C ATOM 258 OG SER A 17 10.988 -3.698 3.812 1.00 0.00 O ATOM 0 H SER A 17 7.450 -4.421 2.457 1.00 0.00 H new ATOM 0 HA SER A 17 8.651 -2.935 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.504 -5.067 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.984 -4.034 2.036 1.00 0.00 H new ATOM 0 HG SER A 17 11.703 -4.328 3.583 1.00 0.00 H new ATOM 264 N LEU A 18 8.312 -1.406 1.734 1.00 0.00 N ATOM 265 CA LEU A 18 8.534 -0.130 1.056 1.00 0.00 C ATOM 266 C LEU A 18 7.888 1.035 1.806 1.00 0.00 C ATOM 267 O LEU A 18 8.498 2.093 1.965 1.00 0.00 O ATOM 268 CB LEU A 18 7.966 -0.200 -0.368 1.00 0.00 C ATOM 269 CG LEU A 18 8.904 -1.021 -1.280 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.221 -1.268 -2.643 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.250 -0.279 -1.484 1.00 0.00 C ATOM 0 H LEU A 18 7.620 -2.011 1.293 1.00 0.00 H new ATOM 0 HA LEU A 18 9.609 0.048 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.976 -0.655 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.847 0.806 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 18 9.108 -1.979 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.886 -1.847 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.293 -1.819 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.001 -0.312 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.898 -0.872 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.065 0.690 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.735 -0.132 -0.519 1.00 0.00 H new ATOM 283 N PHE A 19 6.644 0.849 2.234 1.00 0.00 N ATOM 284 CA PHE A 19 5.925 1.915 2.926 1.00 0.00 C ATOM 285 C PHE A 19 6.428 2.101 4.352 1.00 0.00 C ATOM 286 O PHE A 19 6.796 3.207 4.742 1.00 0.00 O ATOM 287 CB PHE A 19 4.429 1.602 2.947 1.00 0.00 C ATOM 288 CG PHE A 19 3.962 1.219 1.555 1.00 0.00 C ATOM 289 CD1 PHE A 19 4.200 2.068 0.462 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.287 0.006 1.359 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.767 1.701 -0.817 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.855 -0.358 0.081 1.00 0.00 C ATOM 293 CZ PHE A 19 3.094 0.489 -1.007 1.00 0.00 C ATOM 0 H PHE A 19 6.118 -0.017 2.117 1.00 0.00 H new ATOM 0 HA PHE A 19 6.103 2.843 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.229 0.788 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.872 2.469 3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.717 3.005 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.101 -0.649 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.952 2.353 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.336 -1.294 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.759 0.207 -1.994 1.00 0.00 H new ATOM 303 N ASP A 20 6.436 1.028 5.131 1.00 0.00 N ATOM 304 CA ASP A 20 6.895 1.117 6.511 1.00 0.00 C ATOM 305 C ASP A 20 8.274 1.766 6.574 1.00 0.00 C ATOM 306 O ASP A 20 9.294 1.074 6.568 1.00 0.00 O ATOM 307 CB ASP A 20 6.959 -0.282 7.128 1.00 0.00 C ATOM 308 CG ASP A 20 7.135 -0.177 8.639 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.315 0.931 9.119 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.090 -1.204 9.291 1.00 0.00 O ATOM 0 H ASP A 20 6.135 0.099 4.837 1.00 0.00 H new ATOM 0 HA ASP A 20 6.191 1.731 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.047 -0.833 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.788 -0.842 6.695 1.00 0.00 H new ATOM 315 N LYS A 21 8.303 3.099 6.624 1.00 0.00 N ATOM 316 CA LYS A 21 9.575 3.815 6.674 1.00 0.00 C ATOM 317 C LYS A 21 10.353 3.425 7.928 1.00 0.00 C ATOM 318 O LYS A 21 11.518 3.034 7.845 1.00 0.00 O ATOM 319 CB LYS A 21 9.345 5.331 6.687 1.00 0.00 C ATOM 320 CG LYS A 21 8.664 5.800 5.390 1.00 0.00 C ATOM 321 CD LYS A 21 9.557 5.476 4.175 1.00 0.00 C ATOM 322 CE LYS A 21 9.328 6.486 3.048 1.00 0.00 C ATOM 323 NZ LYS A 21 10.137 7.707 3.311 1.00 0.00 N ATOM 0 H LYS A 21 7.475 3.694 6.631 1.00 0.00 H new ATOM 0 HA LYS A 21 10.146 3.544 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.727 5.601 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.298 5.845 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.696 5.310 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.475 6.873 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.605 5.490 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.341 4.469 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.609 6.049 2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.271 6.743 2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.933 8.422 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.896 8.088 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.148 7.466 3.285 1.00 0.00 H new ATOM 337 N ASP A 22 9.721 3.562 9.092 1.00 0.00 N ATOM 338 CA ASP A 22 10.386 3.245 10.346 1.00 0.00 C ATOM 339 C ASP A 22 10.747 1.765 10.368 1.00 0.00 C ATOM 340 O ASP A 22 11.595 1.329 11.148 1.00 0.00 O ATOM 341 CB ASP A 22 9.444 3.561 11.514 1.00 0.00 C ATOM 342 CG ASP A 22 8.695 4.862 11.243 1.00 0.00 C ATOM 343 OD1 ASP A 22 9.343 5.846 10.916 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.478 4.849 11.358 1.00 0.00 O ATOM 0 H ASP A 22 8.759 3.887 9.189 1.00 0.00 H new ATOM 0 HA ASP A 22 11.294 3.841 10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.734 2.745 11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.014 3.646 12.439 1.00 0.00 H new ATOM 349 N GLY A 23 10.104 1.002 9.491 1.00 0.00 N ATOM 350 CA GLY A 23 10.365 -0.429 9.393 1.00 0.00 C ATOM 351 C GLY A 23 10.129 -1.137 10.724 1.00 0.00 C ATOM 352 O GLY A 23 10.932 -1.973 11.135 1.00 0.00 O ATOM 0 H GLY A 23 9.400 1.349 8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.721 -0.865 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.394 -0.590 9.072 1.00 0.00 H new ATOM 356 N ASP A 24 9.024 -0.808 11.397 1.00 0.00 N ATOM 357 CA ASP A 24 8.710 -1.441 12.684 1.00 0.00 C ATOM 358 C ASP A 24 7.733 -2.606 12.507 1.00 0.00 C ATOM 359 O ASP A 24 7.425 -3.318 13.463 1.00 0.00 O ATOM 360 CB ASP A 24 8.127 -0.406 13.650 1.00 0.00 C ATOM 361 CG ASP A 24 6.760 0.066 13.170 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.385 -0.285 12.064 1.00 0.00 O ATOM 363 OD2 ASP A 24 6.106 0.774 13.922 1.00 0.00 O ATOM 0 H ASP A 24 8.341 -0.119 11.081 1.00 0.00 H new ATOM 0 HA ASP A 24 9.636 -1.839 13.099 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.039 -0.840 14.646 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.803 0.445 13.731 1.00 0.00 H new ATOM 368 N GLY A 25 7.247 -2.792 11.279 1.00 0.00 N ATOM 369 CA GLY A 25 6.301 -3.875 10.982 1.00 0.00 C ATOM 370 C GLY A 25 4.876 -3.346 10.856 1.00 0.00 C ATOM 371 O GLY A 25 3.915 -4.114 10.884 1.00 0.00 O ATOM 0 H GLY A 25 7.490 -2.212 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.591 -4.370 10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.344 -4.625 11.771 1.00 0.00 H new ATOM 375 N THR A 26 4.748 -2.029 10.716 1.00 0.00 N ATOM 376 CA THR A 26 3.437 -1.397 10.579 1.00 0.00 C ATOM 377 C THR A 26 3.511 -0.234 9.596 1.00 0.00 C ATOM 378 O THR A 26 4.542 0.428 9.486 1.00 0.00 O ATOM 379 CB THR A 26 2.968 -0.878 11.948 1.00 0.00 C ATOM 380 OG1 THR A 26 4.082 -0.318 12.639 1.00 0.00 O ATOM 381 CG2 THR A 26 2.368 -2.027 12.767 1.00 0.00 C ATOM 0 H THR A 26 5.534 -1.379 10.694 1.00 0.00 H new ATOM 0 HA THR A 26 2.729 -2.136 10.204 1.00 0.00 H new ATOM 0 HB THR A 26 2.203 -0.114 11.807 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.714 0.058 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.038 -1.650 13.735 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.517 -2.449 12.233 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.122 -2.800 12.916 1.00 0.00 H new ATOM 389 N ILE A 27 2.402 0.024 8.899 1.00 0.00 N ATOM 390 CA ILE A 27 2.346 1.128 7.947 1.00 0.00 C ATOM 391 C ILE A 27 1.473 2.234 8.530 1.00 0.00 C ATOM 392 O ILE A 27 0.519 1.956 9.253 1.00 0.00 O ATOM 393 CB ILE A 27 1.782 0.652 6.618 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.699 -0.424 6.039 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.705 1.831 5.653 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.020 -1.089 4.838 1.00 0.00 C ATOM 0 H ILE A 27 1.539 -0.514 8.977 1.00 0.00 H new ATOM 0 HA ILE A 27 3.351 1.511 7.769 1.00 0.00 H new ATOM 0 HB ILE A 27 0.784 0.239 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.647 0.018 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.926 -1.170 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.301 1.494 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.056 2.601 6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.703 2.242 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.677 -1.856 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.083 -1.546 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.816 -0.339 4.074 1.00 0.00 H new ATOM 408 N THR A 28 1.802 3.486 8.227 1.00 0.00 N ATOM 409 CA THR A 28 1.036 4.619 8.752 1.00 0.00 C ATOM 410 C THR A 28 0.775 5.661 7.669 1.00 0.00 C ATOM 411 O THR A 28 1.371 5.617 6.593 1.00 0.00 O ATOM 412 CB THR A 28 1.815 5.254 9.907 1.00 0.00 C ATOM 413 OG1 THR A 28 2.083 4.264 10.893 1.00 0.00 O ATOM 414 CG2 THR A 28 0.999 6.386 10.530 1.00 0.00 C ATOM 0 H THR A 28 2.585 3.744 7.627 1.00 0.00 H new ATOM 0 HA THR A 28 0.071 4.255 9.104 1.00 0.00 H new ATOM 0 HB THR A 28 2.753 5.660 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.808 3.682 10.583 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.562 6.831 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.795 7.146 9.775 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.057 5.990 10.909 1.00 0.00 H new ATOM 422 N THR A 29 -0.125 6.599 7.964 1.00 0.00 N ATOM 423 CA THR A 29 -0.471 7.651 7.015 1.00 0.00 C ATOM 424 C THR A 29 0.764 8.477 6.672 1.00 0.00 C ATOM 425 O THR A 29 0.945 8.903 5.531 1.00 0.00 O ATOM 426 CB THR A 29 -1.533 8.569 7.633 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.973 9.252 8.748 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.726 7.735 8.101 1.00 0.00 C ATOM 0 H THR A 29 -0.625 6.650 8.851 1.00 0.00 H new ATOM 0 HA THR A 29 -0.860 7.192 6.106 1.00 0.00 H new ATOM 0 HB THR A 29 -1.865 9.290 6.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.649 9.841 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.478 8.390 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.156 7.206 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.395 7.013 8.847 1.00 0.00 H new ATOM 436 N LYS A 30 1.610 8.690 7.671 1.00 0.00 N ATOM 437 CA LYS A 30 2.837 9.454 7.486 1.00 0.00 C ATOM 438 C LYS A 30 3.856 8.652 6.681 1.00 0.00 C ATOM 439 O LYS A 30 4.520 9.186 5.791 1.00 0.00 O ATOM 440 CB LYS A 30 3.419 9.847 8.845 1.00 0.00 C ATOM 441 CG LYS A 30 2.504 10.880 9.512 1.00 0.00 C ATOM 442 CD LYS A 30 3.075 11.264 10.879 1.00 0.00 C ATOM 443 CE LYS A 30 2.152 12.280 11.557 1.00 0.00 C ATOM 444 NZ LYS A 30 2.706 12.635 12.896 1.00 0.00 N ATOM 0 H LYS A 30 1.469 8.344 8.620 1.00 0.00 H new ATOM 0 HA LYS A 30 2.601 10.360 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.515 8.966 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.420 10.260 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.417 11.765 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.500 10.471 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.176 10.377 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.073 11.687 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.061 13.174 10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.150 11.863 11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.081 13.325 13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.771 11.779 13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.653 13.049 12.781 1.00 0.00 H new ATOM 458 N GLU A 31 3.968 7.360 6.994 1.00 0.00 N ATOM 459 CA GLU A 31 4.900 6.490 6.284 1.00 0.00 C ATOM 460 C GLU A 31 4.536 6.444 4.800 1.00 0.00 C ATOM 461 O GLU A 31 5.317 6.857 3.938 1.00 0.00 O ATOM 462 CB GLU A 31 4.845 5.079 6.888 1.00 0.00 C ATOM 463 CG GLU A 31 5.494 5.087 8.276 1.00 0.00 C ATOM 464 CD GLU A 31 5.298 3.737 8.962 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.168 3.286 9.022 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.283 3.174 9.415 1.00 0.00 O ATOM 0 H GLU A 31 3.430 6.899 7.727 1.00 0.00 H new ATOM 0 HA GLU A 31 5.912 6.881 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.810 4.744 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.363 4.374 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.558 5.305 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.057 5.878 8.885 1.00 0.00 H new ATOM 473 N LEU A 32 3.338 5.962 4.509 1.00 0.00 N ATOM 474 CA LEU A 32 2.872 5.890 3.130 1.00 0.00 C ATOM 475 C LEU A 32 2.745 7.278 2.535 1.00 0.00 C ATOM 476 O LEU A 32 3.182 7.527 1.412 1.00 0.00 O ATOM 477 CB LEU A 32 1.521 5.177 3.101 1.00 0.00 C ATOM 478 CG LEU A 32 0.848 5.241 1.720 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.612 4.366 0.736 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.587 4.726 1.842 1.00 0.00 C ATOM 0 H LEU A 32 2.674 5.617 5.202 1.00 0.00 H new ATOM 0 HA LEU A 32 3.595 5.334 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.659 4.134 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.861 5.626 3.844 1.00 0.00 H new ATOM 0 HG LEU A 32 0.847 6.270 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.132 4.414 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.639 4.722 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.612 3.335 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.073 4.768 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.575 3.696 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.138 5.347 2.548 1.00 0.00 H new ATOM 492 N GLY A 33 2.136 8.178 3.293 1.00 0.00 N ATOM 493 CA GLY A 33 1.945 9.539 2.822 1.00 0.00 C ATOM 494 C GLY A 33 3.264 10.104 2.331 1.00 0.00 C ATOM 495 O GLY A 33 3.314 10.796 1.315 1.00 0.00 O ATOM 0 H GLY A 33 1.770 7.992 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.210 9.555 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.550 10.160 3.626 1.00 0.00 H new ATOM 499 N THR A 34 4.334 9.796 3.053 1.00 0.00 N ATOM 500 CA THR A 34 5.650 10.276 2.671 1.00 0.00 C ATOM 501 C THR A 34 6.002 9.744 1.290 1.00 0.00 C ATOM 502 O THR A 34 6.419 10.505 0.416 1.00 0.00 O ATOM 503 CB THR A 34 6.697 9.821 3.692 1.00 0.00 C ATOM 504 OG1 THR A 34 6.390 10.380 4.963 1.00 0.00 O ATOM 505 CG2 THR A 34 8.090 10.279 3.255 1.00 0.00 C ATOM 0 H THR A 34 4.315 9.223 3.896 1.00 0.00 H new ATOM 0 HA THR A 34 5.640 11.366 2.647 1.00 0.00 H new ATOM 0 HB THR A 34 6.685 8.733 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.839 9.750 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.827 9.951 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.327 9.847 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.110 11.366 3.183 1.00 0.00 H new ATOM 513 N VAL A 35 5.831 8.437 1.089 1.00 0.00 N ATOM 514 CA VAL A 35 6.131 7.825 -0.199 1.00 0.00 C ATOM 515 C VAL A 35 5.264 8.434 -1.299 1.00 0.00 C ATOM 516 O VAL A 35 5.742 8.730 -2.394 1.00 0.00 O ATOM 517 CB VAL A 35 5.857 6.315 -0.128 1.00 0.00 C ATOM 518 CG1 VAL A 35 6.183 5.663 -1.474 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.726 5.683 0.964 1.00 0.00 C ATOM 0 H VAL A 35 5.489 7.788 1.798 1.00 0.00 H new ATOM 0 HA VAL A 35 7.181 8.006 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 35 4.804 6.156 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.987 4.592 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.561 6.105 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.234 5.827 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.529 4.612 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.778 5.848 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.490 6.138 1.926 1.00 0.00 H new ATOM 529 N MET A 36 3.987 8.637 -0.992 1.00 0.00 N ATOM 530 CA MET A 36 3.073 9.225 -1.970 1.00 0.00 C ATOM 531 C MET A 36 3.447 10.675 -2.283 1.00 0.00 C ATOM 532 O MET A 36 3.435 11.093 -3.440 1.00 0.00 O ATOM 533 CB MET A 36 1.636 9.156 -1.452 1.00 0.00 C ATOM 534 CG MET A 36 1.252 7.687 -1.275 1.00 0.00 C ATOM 535 SD MET A 36 -0.469 7.564 -0.727 1.00 0.00 S ATOM 536 CE MET A 36 -1.219 7.296 -2.353 1.00 0.00 C ATOM 0 H MET A 36 3.565 8.409 -0.092 1.00 0.00 H new ATOM 0 HA MET A 36 3.154 8.650 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.550 9.687 -0.504 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.957 9.643 -2.153 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.383 7.152 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.910 7.215 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.293 7.474 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.778 7.983 -3.075 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.039 6.269 -2.672 1.00 0.00 H new ATOM 546 N ARG A 37 3.770 11.433 -1.247 1.00 0.00 N ATOM 547 CA ARG A 37 4.135 12.837 -1.441 1.00 0.00 C ATOM 548 C ARG A 37 5.429 12.939 -2.242 1.00 0.00 C ATOM 549 O ARG A 37 5.500 13.667 -3.233 1.00 0.00 O ATOM 550 CB ARG A 37 4.300 13.531 -0.078 1.00 0.00 C ATOM 551 CG ARG A 37 4.569 15.039 -0.249 1.00 0.00 C ATOM 552 CD ARG A 37 3.255 15.794 -0.449 1.00 0.00 C ATOM 553 NE ARG A 37 3.516 17.226 -0.478 1.00 0.00 N ATOM 554 CZ ARG A 37 2.542 18.106 -0.290 1.00 0.00 C ATOM 555 NH1 ARG A 37 1.320 17.695 -0.083 1.00 0.00 N ATOM 556 NH2 ARG A 37 2.810 19.383 -0.312 1.00 0.00 N ATOM 0 H ARG A 37 3.789 11.113 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 37 3.340 13.334 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.400 13.385 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.123 13.072 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.088 15.424 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.224 15.204 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.782 15.481 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.561 15.557 0.357 1.00 0.00 H new ATOM 0 HE ARG A 37 4.466 17.558 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.114 16.696 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.572 18.373 0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.766 19.701 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.064 20.063 -0.168 1.00 0.00 H new ATOM 570 N SER A 38 6.451 12.219 -1.801 1.00 0.00 N ATOM 571 CA SER A 38 7.739 12.252 -2.479 1.00 0.00 C ATOM 572 C SER A 38 7.551 12.038 -3.975 1.00 0.00 C ATOM 573 O SER A 38 8.317 12.551 -4.788 1.00 0.00 O ATOM 574 CB SER A 38 8.661 11.170 -1.910 1.00 0.00 C ATOM 575 OG SER A 38 9.729 10.936 -2.818 1.00 0.00 O ATOM 0 H SER A 38 6.415 11.610 -0.984 1.00 0.00 H new ATOM 0 HA SER A 38 8.195 13.229 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.053 11.483 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.101 10.250 -1.745 1.00 0.00 H new ATOM 0 HG SER A 38 10.321 10.245 -2.455 1.00 0.00 H new ATOM 581 N LEU A 39 6.523 11.273 -4.328 1.00 0.00 N ATOM 582 CA LEU A 39 6.239 10.993 -5.732 1.00 0.00 C ATOM 583 C LEU A 39 5.499 12.164 -6.383 1.00 0.00 C ATOM 584 O LEU A 39 5.501 12.308 -7.607 1.00 0.00 O ATOM 585 CB LEU A 39 5.401 9.718 -5.832 1.00 0.00 C ATOM 586 CG LEU A 39 6.242 8.514 -5.366 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.315 7.331 -5.085 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.268 8.112 -6.447 1.00 0.00 C ATOM 0 H LEU A 39 5.877 10.839 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 39 7.181 10.854 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.505 9.809 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.069 9.568 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 39 6.781 8.793 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.906 6.476 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.604 7.603 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.774 7.069 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.851 7.260 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.744 7.841 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.935 8.951 -6.645 1.00 0.00 H new ATOM 600 N GLY A 40 4.890 13.011 -5.556 1.00 0.00 N ATOM 601 CA GLY A 40 4.173 14.181 -6.057 1.00 0.00 C ATOM 602 C GLY A 40 2.969 13.788 -6.907 1.00 0.00 C ATOM 603 O GLY A 40 2.559 14.539 -7.793 1.00 0.00 O ATOM 0 H GLY A 40 4.878 12.910 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.841 14.791 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.850 14.796 -6.649 1.00 0.00 H new ATOM 607 N GLN A 41 2.405 12.607 -6.643 1.00 0.00 N ATOM 608 CA GLN A 41 1.242 12.133 -7.410 1.00 0.00 C ATOM 609 C GLN A 41 -0.044 12.314 -6.607 1.00 0.00 C ATOM 610 O GLN A 41 -1.079 12.694 -7.153 1.00 0.00 O ATOM 611 CB GLN A 41 1.421 10.651 -7.779 1.00 0.00 C ATOM 612 CG GLN A 41 0.298 10.224 -8.733 1.00 0.00 C ATOM 613 CD GLN A 41 0.492 8.774 -9.183 1.00 0.00 C ATOM 614 OE1 GLN A 41 1.521 8.087 -8.762 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -0.320 8.254 -9.949 1.00 0.00 N flip ATOM 0 H GLN A 41 2.726 11.967 -5.916 1.00 0.00 H new ATOM 0 HA GLN A 41 1.169 12.725 -8.323 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.392 10.497 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.402 10.036 -6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.667 10.330 -8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.283 10.881 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.124 8.788 -10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.189 7.289 -10.253 1.00 0.00 H new ATOM 624 N ASN A 42 0.029 12.037 -5.305 1.00 0.00 N ATOM 625 CA ASN A 42 -1.135 12.163 -4.426 1.00 0.00 C ATOM 626 C ASN A 42 -0.747 12.851 -3.110 1.00 0.00 C ATOM 627 O ASN A 42 -0.506 12.183 -2.106 1.00 0.00 O ATOM 628 CB ASN A 42 -1.685 10.782 -4.121 1.00 0.00 C ATOM 629 CG ASN A 42 -1.753 9.955 -5.402 1.00 0.00 C ATOM 630 OD1 ASN A 42 -0.973 9.019 -5.581 1.00 0.00 O ATOM 631 ND2 ASN A 42 -2.643 10.249 -6.314 1.00 0.00 N ATOM 0 H ASN A 42 0.879 11.725 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.890 12.766 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.051 10.282 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.678 10.866 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.691 9.703 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.289 11.024 -6.165 1.00 0.00 H new ATOM 638 N PRO A 43 -0.664 14.159 -3.101 1.00 0.00 N ATOM 639 CA PRO A 43 -0.278 14.932 -1.885 1.00 0.00 C ATOM 640 C PRO A 43 -1.388 14.939 -0.838 1.00 0.00 C ATOM 641 O PRO A 43 -1.135 15.184 0.342 1.00 0.00 O ATOM 642 CB PRO A 43 0.009 16.347 -2.421 1.00 0.00 C ATOM 643 CG PRO A 43 -0.774 16.458 -3.695 1.00 0.00 C ATOM 644 CD PRO A 43 -0.943 15.034 -4.245 1.00 0.00 C ATOM 0 HA PRO A 43 0.580 14.497 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.298 17.108 -1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.074 16.490 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.745 16.918 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.252 17.090 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.950 14.875 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.254 14.843 -5.068 1.00 0.00 H new ATOM 652 N THR A 44 -2.614 14.685 -1.281 1.00 0.00 N ATOM 653 CA THR A 44 -3.757 14.678 -0.378 1.00 0.00 C ATOM 654 C THR A 44 -3.603 13.603 0.696 1.00 0.00 C ATOM 655 O THR A 44 -4.319 12.602 0.697 1.00 0.00 O ATOM 656 CB THR A 44 -5.046 14.442 -1.174 1.00 0.00 C ATOM 657 OG1 THR A 44 -6.081 14.037 -0.288 1.00 0.00 O ATOM 658 CG2 THR A 44 -4.817 13.353 -2.226 1.00 0.00 C ATOM 0 H THR A 44 -2.841 14.482 -2.255 1.00 0.00 H new ATOM 0 HA THR A 44 -3.808 15.648 0.117 1.00 0.00 H new ATOM 0 HB THR A 44 -5.334 15.367 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.938 14.041 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.737 13.191 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.026 13.666 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.525 12.426 -1.733 1.00 0.00 H new ATOM 666 N GLU A 45 -2.677 13.838 1.619 1.00 0.00 N ATOM 667 CA GLU A 45 -2.431 12.912 2.719 1.00 0.00 C ATOM 668 C GLU A 45 -3.714 12.682 3.514 1.00 0.00 C ATOM 669 O GLU A 45 -3.802 11.769 4.337 1.00 0.00 O ATOM 670 CB GLU A 45 -1.326 13.479 3.627 1.00 0.00 C ATOM 671 CG GLU A 45 -1.177 12.608 4.874 1.00 0.00 C ATOM 672 CD GLU A 45 0.078 13.004 5.650 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.925 13.667 5.074 1.00 0.00 O ATOM 674 OE2 GLU A 45 0.175 12.635 6.810 1.00 0.00 O ATOM 0 H GLU A 45 -2.082 14.666 1.627 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.104 11.953 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.381 13.516 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.569 14.502 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.056 12.718 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.120 11.558 4.588 1.00 0.00 H new ATOM 681 N ALA A 46 -4.723 13.489 3.224 1.00 0.00 N ATOM 682 CA ALA A 46 -6.012 13.355 3.889 1.00 0.00 C ATOM 683 C ALA A 46 -6.772 12.141 3.358 1.00 0.00 C ATOM 684 O ALA A 46 -7.399 11.399 4.117 1.00 0.00 O ATOM 685 CB ALA A 46 -6.833 14.623 3.678 1.00 0.00 C ATOM 0 H ALA A 46 -4.676 14.241 2.536 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.841 13.209 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.797 14.520 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.298 15.476 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.992 14.780 2.611 1.00 0.00 H new ATOM 691 N GLU A 47 -6.713 11.951 2.046 1.00 0.00 N ATOM 692 CA GLU A 47 -7.397 10.835 1.403 1.00 0.00 C ATOM 693 C GLU A 47 -6.956 9.529 2.050 1.00 0.00 C ATOM 694 O GLU A 47 -7.780 8.677 2.380 1.00 0.00 O ATOM 695 CB GLU A 47 -7.050 10.826 -0.093 1.00 0.00 C ATOM 696 CG GLU A 47 -7.846 9.748 -0.837 1.00 0.00 C ATOM 697 CD GLU A 47 -9.314 10.141 -0.927 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.638 11.246 -0.528 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.095 9.334 -1.407 1.00 0.00 O ATOM 0 H GLU A 47 -6.198 12.555 1.406 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.475 10.943 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.264 11.804 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.982 10.648 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.437 9.611 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.749 8.793 -0.320 1.00 0.00 H new ATOM 706 N LEU A 48 -5.647 9.387 2.230 1.00 0.00 N ATOM 707 CA LEU A 48 -5.104 8.183 2.843 1.00 0.00 C ATOM 708 C LEU A 48 -5.606 8.058 4.277 1.00 0.00 C ATOM 709 O LEU A 48 -6.131 7.019 4.676 1.00 0.00 O ATOM 710 CB LEU A 48 -3.573 8.242 2.836 1.00 0.00 C ATOM 711 CG LEU A 48 -3.031 7.920 1.434 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.366 6.467 1.029 1.00 0.00 C ATOM 713 CD2 LEU A 48 -3.635 8.900 0.416 1.00 0.00 C ATOM 0 H LEU A 48 -4.950 10.083 1.963 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.433 7.315 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.239 9.233 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.172 7.532 3.560 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.946 8.025 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.971 6.267 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.916 5.777 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.447 6.331 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.252 8.673 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.721 8.803 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.362 9.920 0.686 1.00 0.00 H new ATOM 725 N GLN A 49 -5.430 9.124 5.053 1.00 0.00 N ATOM 726 CA GLN A 49 -5.860 9.114 6.451 1.00 0.00 C ATOM 727 C GLN A 49 -7.245 8.488 6.577 1.00 0.00 C ATOM 728 O GLN A 49 -7.502 7.694 7.484 1.00 0.00 O ATOM 729 CB GLN A 49 -5.892 10.546 6.987 1.00 0.00 C ATOM 730 CG GLN A 49 -4.468 11.029 7.271 1.00 0.00 C ATOM 731 CD GLN A 49 -4.467 12.535 7.501 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.519 13.173 7.442 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.344 13.147 7.765 1.00 0.00 N ATOM 0 H GLN A 49 -4.999 9.995 4.745 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.154 8.521 7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.370 11.204 6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.488 10.589 7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.070 10.518 8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.816 10.780 6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.474 12.617 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.337 14.155 7.923 1.00 0.00 H new ATOM 742 N ASP A 50 -8.128 8.849 5.660 1.00 0.00 N ATOM 743 CA ASP A 50 -9.483 8.318 5.668 1.00 0.00 C ATOM 744 C ASP A 50 -9.496 6.840 5.273 1.00 0.00 C ATOM 745 O ASP A 50 -10.249 6.047 5.837 1.00 0.00 O ATOM 746 CB ASP A 50 -10.352 9.125 4.704 1.00 0.00 C ATOM 747 CG ASP A 50 -11.788 8.608 4.723 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.022 7.585 5.345 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.633 9.249 4.121 1.00 0.00 O ATOM 0 H ASP A 50 -7.933 9.505 4.903 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.883 8.401 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.334 10.178 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.947 9.056 3.694 1.00 0.00 H new ATOM 754 N MET A 51 -8.671 6.474 4.291 1.00 0.00 N ATOM 755 CA MET A 51 -8.617 5.088 3.828 1.00 0.00 C ATOM 756 C MET A 51 -8.091 4.163 4.921 1.00 0.00 C ATOM 757 O MET A 51 -8.661 3.102 5.176 1.00 0.00 O ATOM 758 CB MET A 51 -7.704 4.989 2.604 1.00 0.00 C ATOM 759 CG MET A 51 -8.417 5.567 1.379 1.00 0.00 C ATOM 760 SD MET A 51 -9.783 4.476 0.903 1.00 0.00 S ATOM 761 CE MET A 51 -10.716 5.682 -0.073 1.00 0.00 C ATOM 0 H MET A 51 -8.038 7.110 3.806 1.00 0.00 H new ATOM 0 HA MET A 51 -9.629 4.778 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.776 5.531 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.435 3.948 2.423 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.795 6.565 1.602 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.715 5.670 0.552 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.616 5.211 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.996 6.524 0.560 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.099 6.038 -0.898 1.00 0.00 H new ATOM 771 N ILE A 52 -7.008 4.574 5.574 1.00 0.00 N ATOM 772 CA ILE A 52 -6.428 3.773 6.642 1.00 0.00 C ATOM 773 C ILE A 52 -7.414 3.676 7.805 1.00 0.00 C ATOM 774 O ILE A 52 -7.604 2.611 8.390 1.00 0.00 O ATOM 775 CB ILE A 52 -5.087 4.379 7.106 1.00 0.00 C ATOM 776 CG1 ILE A 52 -3.985 3.996 6.098 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.715 3.848 8.497 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.671 4.733 6.409 1.00 0.00 C ATOM 0 H ILE A 52 -6.520 5.449 5.383 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.229 2.769 6.267 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.184 5.463 7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.818 2.919 6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.312 4.239 5.087 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.767 4.284 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.493 4.119 9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.620 2.763 8.459 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.911 4.444 5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.836 5.809 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.334 4.469 7.411 1.00 0.00 H new ATOM 790 N ASN A 53 -8.032 4.804 8.132 1.00 0.00 N ATOM 791 CA ASN A 53 -8.990 4.850 9.227 1.00 0.00 C ATOM 792 C ASN A 53 -10.181 3.935 8.943 1.00 0.00 C ATOM 793 O ASN A 53 -10.687 3.267 9.846 1.00 0.00 O ATOM 794 CB ASN A 53 -9.477 6.292 9.422 1.00 0.00 C ATOM 795 CG ASN A 53 -8.415 7.116 10.145 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.779 6.628 11.080 1.00 0.00 O ATOM 797 ND2 ASN A 53 -8.182 8.344 9.766 1.00 0.00 N ATOM 0 H ASN A 53 -7.887 5.695 7.657 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.499 4.503 10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.700 6.742 8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.403 6.296 9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.473 8.900 10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.709 8.747 8.992 1.00 0.00 H new ATOM 804 N GLU A 54 -10.634 3.922 7.693 1.00 0.00 N ATOM 805 CA GLU A 54 -11.779 3.096 7.314 1.00 0.00 C ATOM 806 C GLU A 54 -11.462 1.605 7.451 1.00 0.00 C ATOM 807 O GLU A 54 -12.278 0.841 7.966 1.00 0.00 O ATOM 808 CB GLU A 54 -12.186 3.400 5.867 1.00 0.00 C ATOM 809 CG GLU A 54 -13.462 2.627 5.514 1.00 0.00 C ATOM 810 CD GLU A 54 -13.905 2.963 4.095 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.417 3.942 3.557 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.729 2.234 3.564 1.00 0.00 O ATOM 0 H GLU A 54 -10.232 4.468 6.931 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.601 3.335 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.352 4.470 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.381 3.122 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.283 1.555 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.255 2.877 6.219 1.00 0.00 H new ATOM 819 N VAL A 55 -10.287 1.190 6.972 1.00 0.00 N ATOM 820 CA VAL A 55 -9.898 -0.224 7.032 1.00 0.00 C ATOM 821 C VAL A 55 -9.150 -0.549 8.329 1.00 0.00 C ATOM 822 O VAL A 55 -8.450 -1.560 8.404 1.00 0.00 O ATOM 823 CB VAL A 55 -9.012 -0.575 5.829 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.705 -0.129 4.539 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.659 0.135 5.955 1.00 0.00 C ATOM 0 H VAL A 55 -9.594 1.803 6.543 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.811 -0.820 7.007 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.850 -1.653 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.077 -0.378 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.664 -0.639 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.869 0.948 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.034 -0.118 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.815 1.213 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.164 -0.185 6.872 1.00 0.00 H new ATOM 835 N ASP A 56 -9.301 0.295 9.349 1.00 0.00 N ATOM 836 CA ASP A 56 -8.627 0.059 10.628 1.00 0.00 C ATOM 837 C ASP A 56 -9.452 -0.894 11.491 1.00 0.00 C ATOM 838 O ASP A 56 -10.516 -0.532 11.994 1.00 0.00 O ATOM 839 CB ASP A 56 -8.424 1.385 11.367 1.00 0.00 C ATOM 840 CG ASP A 56 -7.477 1.190 12.544 1.00 0.00 C ATOM 841 OD1 ASP A 56 -7.141 0.053 12.829 1.00 0.00 O ATOM 842 OD2 ASP A 56 -7.098 2.184 13.142 1.00 0.00 O ATOM 0 H ASP A 56 -9.875 1.137 9.318 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.654 -0.393 10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.019 2.132 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.383 1.763 11.721 1.00 0.00 H new ATOM 847 N ALA A 57 -8.959 -2.125 11.638 1.00 0.00 N ATOM 848 CA ALA A 57 -9.660 -3.144 12.418 1.00 0.00 C ATOM 849 C ALA A 57 -9.383 -3.006 13.918 1.00 0.00 C ATOM 850 O ALA A 57 -10.289 -3.177 14.734 1.00 0.00 O ATOM 851 CB ALA A 57 -9.228 -4.537 11.951 1.00 0.00 C ATOM 0 H ALA A 57 -8.079 -2.439 11.228 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.729 -3.005 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.752 -5.295 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.471 -4.659 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.153 -4.651 12.091 1.00 0.00 H new ATOM 857 N ASP A 58 -8.135 -2.711 14.280 1.00 0.00 N ATOM 858 CA ASP A 58 -7.768 -2.570 15.693 1.00 0.00 C ATOM 859 C ASP A 58 -8.018 -1.148 16.195 1.00 0.00 C ATOM 860 O ASP A 58 -8.125 -0.917 17.400 1.00 0.00 O ATOM 861 CB ASP A 58 -6.291 -2.918 15.887 1.00 0.00 C ATOM 862 CG ASP A 58 -6.072 -4.417 15.704 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.056 -5.140 15.687 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.927 -4.821 15.589 1.00 0.00 O ATOM 0 H ASP A 58 -7.367 -2.566 13.625 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.391 -3.255 16.267 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.683 -2.365 15.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.967 -2.615 16.883 1.00 0.00 H new ATOM 869 N GLY A 59 -8.085 -0.193 15.271 1.00 0.00 N ATOM 870 CA GLY A 59 -8.295 1.204 15.647 1.00 0.00 C ATOM 871 C GLY A 59 -6.976 1.833 16.088 1.00 0.00 C ATOM 872 O GLY A 59 -6.956 2.813 16.834 1.00 0.00 O ATOM 0 H GLY A 59 -7.998 -0.357 14.268 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.707 1.758 14.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.024 1.266 16.455 1.00 0.00 H new ATOM 876 N ASN A 60 -5.876 1.248 15.620 1.00 0.00 N ATOM 877 CA ASN A 60 -4.541 1.726 15.958 1.00 0.00 C ATOM 878 C ASN A 60 -4.136 2.877 15.042 1.00 0.00 C ATOM 879 O ASN A 60 -3.213 3.631 15.346 1.00 0.00 O ATOM 880 CB ASN A 60 -3.549 0.571 15.808 1.00 0.00 C ATOM 881 CG ASN A 60 -2.178 0.962 16.347 1.00 0.00 C ATOM 882 OD1 ASN A 60 -1.983 2.093 16.794 1.00 0.00 O ATOM 883 ND2 ASN A 60 -1.211 0.084 16.329 1.00 0.00 N ATOM 0 H ASN A 60 -5.885 0.437 15.002 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.539 2.089 16.986 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.919 -0.304 16.343 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.466 0.291 14.758 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.289 0.334 16.686 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.378 -0.851 15.958 1.00 0.00 H new ATOM 890 N GLY A 61 -4.837 2.999 13.919 1.00 0.00 N ATOM 891 CA GLY A 61 -4.551 4.054 12.954 1.00 0.00 C ATOM 892 C GLY A 61 -3.456 3.620 11.982 1.00 0.00 C ATOM 893 O GLY A 61 -2.935 4.431 11.217 1.00 0.00 O ATOM 0 H GLY A 61 -5.605 2.382 13.656 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.457 4.302 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.240 4.958 13.478 1.00 0.00 H new ATOM 897 N THR A 62 -3.105 2.333 12.025 1.00 0.00 N ATOM 898 CA THR A 62 -2.062 1.787 11.153 1.00 0.00 C ATOM 899 C THR A 62 -2.513 0.477 10.516 1.00 0.00 C ATOM 900 O THR A 62 -3.452 -0.162 10.990 1.00 0.00 O ATOM 901 CB THR A 62 -0.795 1.540 11.969 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.090 0.657 13.042 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.271 2.869 12.515 1.00 0.00 C ATOM 0 H THR A 62 -3.527 1.650 12.654 1.00 0.00 H new ATOM 0 HA THR A 62 -1.864 2.509 10.360 1.00 0.00 H new ATOM 0 HB THR A 62 -0.032 1.090 11.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.278 0.496 13.566 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.633 2.692 13.097 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.043 3.539 11.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.029 3.325 13.152 1.00 0.00 H new ATOM 911 N ILE A 63 -1.824 0.076 9.442 1.00 0.00 N ATOM 912 CA ILE A 63 -2.147 -1.175 8.747 1.00 0.00 C ATOM 913 C ILE A 63 -1.103 -2.235 9.079 1.00 0.00 C ATOM 914 O ILE A 63 0.060 -2.126 8.682 1.00 0.00 O ATOM 915 CB ILE A 63 -2.179 -0.953 7.229 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.961 0.326 6.916 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.832 -2.153 6.539 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.344 0.266 7.566 1.00 0.00 C ATOM 0 H ILE A 63 -1.045 0.595 9.037 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.130 -1.511 9.078 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.160 -0.849 6.857 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.415 1.195 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.062 0.446 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.851 -1.987 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.259 -3.054 6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.852 -2.273 6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.893 1.180 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.892 -0.593 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.234 0.168 8.646 1.00 0.00 H new ATOM 930 N ASP A 64 -1.524 -3.247 9.829 1.00 0.00 N ATOM 931 CA ASP A 64 -0.624 -4.320 10.240 1.00 0.00 C ATOM 932 C ASP A 64 -0.290 -5.240 9.066 1.00 0.00 C ATOM 933 O ASP A 64 -0.579 -4.930 7.912 1.00 0.00 O ATOM 934 CB ASP A 64 -1.277 -5.133 11.359 1.00 0.00 C ATOM 935 CG ASP A 64 -1.375 -4.292 12.629 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.706 -3.274 12.696 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.119 -4.678 13.516 1.00 0.00 O ATOM 0 H ASP A 64 -2.482 -3.348 10.165 1.00 0.00 H new ATOM 0 HA ASP A 64 0.303 -3.872 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.271 -5.458 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.694 -6.033 11.553 1.00 0.00 H new ATOM 942 N PHE A 65 0.331 -6.372 9.385 1.00 0.00 N ATOM 943 CA PHE A 65 0.728 -7.358 8.381 1.00 0.00 C ATOM 944 C PHE A 65 -0.500 -7.985 7.687 1.00 0.00 C ATOM 945 O PHE A 65 -0.685 -7.845 6.462 1.00 0.00 O ATOM 946 CB PHE A 65 1.570 -8.460 9.075 1.00 0.00 C ATOM 947 CG PHE A 65 3.050 -8.203 8.893 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.651 -8.474 7.665 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.814 -7.702 9.953 1.00 0.00 C ATOM 950 CE1 PHE A 65 5.019 -8.244 7.488 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.182 -7.473 9.780 1.00 0.00 C ATOM 952 CZ PHE A 65 5.786 -7.743 8.547 1.00 0.00 C ATOM 0 H PHE A 65 0.573 -6.632 10.341 1.00 0.00 H new ATOM 0 HA PHE A 65 1.318 -6.860 7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.330 -8.491 10.138 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.312 -9.435 8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.059 -8.862 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.347 -7.492 10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.483 -8.453 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.773 -7.088 10.598 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.843 -7.565 8.412 1.00 0.00 H new ATOM 962 N PRO A 66 -1.320 -8.694 8.429 1.00 0.00 N ATOM 963 CA PRO A 66 -2.515 -9.370 7.862 1.00 0.00 C ATOM 964 C PRO A 66 -3.453 -8.405 7.167 1.00 0.00 C ATOM 965 O PRO A 66 -3.861 -8.654 6.072 1.00 0.00 O ATOM 966 CB PRO A 66 -3.209 -10.023 9.078 1.00 0.00 C ATOM 967 CG PRO A 66 -2.639 -9.326 10.269 1.00 0.00 C ATOM 968 CD PRO A 66 -1.218 -8.928 9.879 1.00 0.00 C ATOM 0 HA PRO A 66 -2.230 -10.092 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.291 -9.899 9.029 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.012 -11.094 9.116 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.232 -8.450 10.530 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.636 -9.980 11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.891 -8.034 10.409 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.501 -9.716 10.110 1.00 0.00 H new ATOM 976 N GLU A 67 -3.814 -7.319 7.813 1.00 0.00 N ATOM 977 CA GLU A 67 -4.760 -6.381 7.211 1.00 0.00 C ATOM 978 C GLU A 67 -4.521 -6.204 5.711 1.00 0.00 C ATOM 979 O GLU A 67 -5.433 -6.402 4.900 1.00 0.00 O ATOM 980 CB GLU A 67 -4.598 -5.036 7.900 1.00 0.00 C ATOM 981 CG GLU A 67 -5.006 -5.159 9.368 1.00 0.00 C ATOM 982 CD GLU A 67 -6.506 -5.401 9.471 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.199 -5.109 8.511 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.940 -5.870 10.510 1.00 0.00 O ATOM 0 H GLU A 67 -3.479 -7.058 8.740 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.767 -6.778 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.563 -4.701 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.212 -4.285 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.463 -5.979 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.738 -4.250 9.906 1.00 0.00 H new ATOM 991 N PHE A 68 -3.300 -5.860 5.344 1.00 0.00 N ATOM 992 CA PHE A 68 -2.956 -5.672 3.943 1.00 0.00 C ATOM 993 C PHE A 68 -3.105 -6.983 3.159 1.00 0.00 C ATOM 994 O PHE A 68 -3.951 -7.117 2.238 1.00 0.00 O ATOM 995 CB PHE A 68 -1.514 -5.172 3.850 1.00 0.00 C ATOM 996 CG PHE A 68 -1.248 -4.702 2.444 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.029 -5.636 1.429 1.00 0.00 C ATOM 998 CD2 PHE A 68 -1.235 -3.335 2.153 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.796 -5.207 0.119 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.001 -2.900 0.845 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.781 -3.837 -0.174 1.00 0.00 C ATOM 0 H PHE A 68 -2.530 -5.705 5.994 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.636 -4.940 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.352 -4.358 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.821 -5.969 4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.040 -6.692 1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.406 -2.614 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.628 -5.930 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.990 -1.844 0.620 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.600 -3.503 -1.185 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.275 -7.952 3.529 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.292 -9.246 2.861 1.00 0.00 C ATOM 1013 C LEU A 69 -3.680 -9.881 2.961 1.00 0.00 C ATOM 1014 O LEU A 69 -4.153 -10.537 2.040 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.222 -10.157 3.484 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.454 -11.641 3.084 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.110 -12.346 2.882 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -2.249 -12.377 4.185 1.00 0.00 C ATOM 0 H LEU A 69 -1.589 -7.867 4.280 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.065 -9.110 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.232 -9.839 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.245 -10.061 4.570 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.022 -11.661 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.283 -13.385 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.448 -11.845 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.463 -12.310 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.403 -13.415 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.690 -12.345 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.215 -11.891 4.322 1.00 0.00 H new ATOM 1030 N THR A 70 -4.305 -9.686 4.097 1.00 0.00 N ATOM 1031 CA THR A 70 -5.627 -10.227 4.366 1.00 0.00 C ATOM 1032 C THR A 70 -6.554 -9.950 3.204 1.00 0.00 C ATOM 1033 O THR A 70 -6.951 -10.869 2.506 1.00 0.00 O ATOM 1034 CB THR A 70 -6.223 -9.605 5.638 1.00 0.00 C ATOM 1035 OG1 THR A 70 -5.493 -10.043 6.776 1.00 0.00 O ATOM 1036 CG2 THR A 70 -7.689 -10.020 5.799 1.00 0.00 C ATOM 0 H THR A 70 -3.914 -9.146 4.869 1.00 0.00 H new ATOM 0 HA THR A 70 -5.524 -11.303 4.507 1.00 0.00 H new ATOM 0 HB THR A 70 -6.162 -8.520 5.552 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.548 -10.149 6.538 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.097 -9.571 6.705 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.261 -9.679 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.754 -11.106 5.871 1.00 0.00 H new ATOM 1044 N MET A 71 -6.930 -8.688 3.006 1.00 0.00 N ATOM 1045 CA MET A 71 -7.857 -8.391 1.919 1.00 0.00 C ATOM 1046 C MET A 71 -7.377 -9.047 0.617 1.00 0.00 C ATOM 1047 O MET A 71 -8.021 -9.966 0.104 1.00 0.00 O ATOM 1048 CB MET A 71 -8.001 -6.868 1.732 1.00 0.00 C ATOM 1049 CG MET A 71 -6.639 -6.167 1.859 1.00 0.00 C ATOM 1050 SD MET A 71 -6.875 -4.373 1.945 1.00 0.00 S ATOM 1051 CE MET A 71 -6.729 -4.182 3.741 1.00 0.00 C ATOM 0 H MET A 71 -6.623 -7.887 3.558 1.00 0.00 H new ATOM 0 HA MET A 71 -8.834 -8.800 2.176 1.00 0.00 H new ATOM 0 HB2 MET A 71 -8.433 -6.657 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 71 -8.690 -6.470 2.477 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.121 -6.518 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.009 -6.419 1.006 1.00 0.00 H new ATOM 0 HE1 MET A 71 -7.120 -3.209 4.036 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.298 -4.968 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 71 -5.681 -4.255 4.031 1.00 0.00 H new ATOM 1061 N MET A 72 -6.287 -8.536 0.054 1.00 0.00 N ATOM 1062 CA MET A 72 -5.789 -9.050 -1.216 1.00 0.00 C ATOM 1063 C MET A 72 -5.795 -10.573 -1.189 1.00 0.00 C ATOM 1064 O MET A 72 -5.813 -11.234 -2.229 1.00 0.00 O ATOM 1065 CB MET A 72 -4.391 -8.487 -1.513 1.00 0.00 C ATOM 1066 CG MET A 72 -3.370 -9.192 -0.646 1.00 0.00 C ATOM 1067 SD MET A 72 -1.763 -8.389 -0.825 1.00 0.00 S ATOM 1068 CE MET A 72 -1.209 -9.307 -2.282 1.00 0.00 C ATOM 0 H MET A 72 -5.737 -7.775 0.452 1.00 0.00 H new ATOM 0 HA MET A 72 -6.444 -8.724 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.147 -8.626 -2.566 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.370 -7.415 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.685 -9.168 0.397 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.297 -10.241 -0.933 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.274 -8.882 -2.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.053 -10.352 -2.016 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.966 -9.241 -3.063 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.767 -11.107 0.031 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.763 -12.552 0.252 1.00 0.00 C ATOM 1080 C ALA A 73 -6.969 -12.983 1.087 1.00 0.00 C ATOM 1081 O ALA A 73 -6.827 -13.344 2.256 1.00 0.00 O ATOM 1082 CB ALA A 73 -4.477 -12.946 0.984 1.00 0.00 C ATOM 0 H ALA A 73 -5.747 -10.555 0.888 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.817 -13.050 -0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.469 -14.023 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.614 -12.666 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.431 -12.430 1.943 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.149 -12.963 0.487 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.375 -13.374 1.184 1.00 0.00 C ATOM 1090 C ARG A 74 -9.857 -14.738 0.680 1.00 0.00 C ATOM 1091 O ARG A 74 -10.935 -15.203 1.052 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.462 -12.310 0.966 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.259 -11.150 1.958 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.961 -11.456 3.280 1.00 0.00 C ATOM 1095 NE ARG A 74 -12.388 -11.635 3.056 1.00 0.00 N ATOM 1096 CZ ARG A 74 -13.200 -10.588 2.933 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.721 -9.374 3.026 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -14.475 -10.775 2.722 1.00 0.00 N ATOM 0 H ARG A 74 -8.292 -12.668 -0.479 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.164 -13.466 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.420 -11.938 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.449 -12.751 1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.194 -10.992 2.131 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.653 -10.226 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.539 -12.357 3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.795 -10.643 3.986 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.772 -12.578 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.725 -9.230 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.344 -8.572 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.847 -11.722 2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.099 -9.974 2.627 1.00 0.00 H new ATOM 1112 N LYS A 75 -9.056 -15.367 -0.169 1.00 0.00 N ATOM 1113 CA LYS A 75 -9.404 -16.673 -0.719 1.00 0.00 C ATOM 1114 C LYS A 75 -9.497 -17.720 0.392 1.00 0.00 C ATOM 1115 O LYS A 75 -10.418 -18.537 0.408 1.00 0.00 O ATOM 1116 CB LYS A 75 -8.337 -17.096 -1.730 1.00 0.00 C ATOM 1117 CG LYS A 75 -8.271 -16.088 -2.889 1.00 0.00 C ATOM 1118 CD LYS A 75 -9.562 -16.139 -3.719 1.00 0.00 C ATOM 1119 CE LYS A 75 -9.320 -15.512 -5.093 1.00 0.00 C ATOM 1120 NZ LYS A 75 -10.568 -15.608 -5.897 1.00 0.00 N ATOM 0 H LYS A 75 -8.162 -14.996 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.375 -16.600 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.366 -17.160 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.565 -18.090 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.124 -15.082 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.414 -16.311 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.891 -17.172 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.359 -15.606 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.022 -14.469 -4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.504 -16.025 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.411 -15.183 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.832 -16.608 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.334 -15.100 -5.411 1.00 0.00 H new ATOM 1134 N MET A 76 -8.545 -17.684 1.320 1.00 0.00 N ATOM 1135 CA MET A 76 -8.543 -18.628 2.434 1.00 0.00 C ATOM 1136 C MET A 76 -9.731 -18.364 3.359 1.00 0.00 C ATOM 1137 O MET A 76 -10.437 -19.287 3.767 1.00 0.00 O ATOM 1138 CB MET A 76 -7.243 -18.479 3.225 1.00 0.00 C ATOM 1139 CG MET A 76 -6.092 -19.137 2.464 1.00 0.00 C ATOM 1140 SD MET A 76 -4.542 -18.833 3.352 1.00 0.00 S ATOM 1141 CE MET A 76 -3.491 -19.980 2.424 1.00 0.00 C ATOM 0 H MET A 76 -7.772 -17.019 1.324 1.00 0.00 H new ATOM 0 HA MET A 76 -8.622 -19.640 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.026 -17.423 3.389 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.350 -18.938 4.208 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.267 -20.209 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.031 -18.734 1.453 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.476 -19.945 2.820 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.883 -20.992 2.521 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.480 -19.694 1.372 1.00 0.00 H new ATOM 1151 N LYS A 77 -9.933 -17.087 3.683 1.00 0.00 N ATOM 1152 CA LYS A 77 -11.026 -16.670 4.565 1.00 0.00 C ATOM 1153 C LYS A 77 -11.591 -15.332 4.096 1.00 0.00 C ATOM 1154 O LYS A 77 -12.272 -15.324 3.083 1.00 0.00 O ATOM 1155 CB LYS A 77 -10.525 -16.542 6.015 1.00 0.00 C ATOM 1156 CG LYS A 77 -10.192 -17.935 6.573 1.00 0.00 C ATOM 1157 CD LYS A 77 -9.619 -17.820 7.996 1.00 0.00 C ATOM 1158 CE LYS A 77 -10.744 -17.558 9.007 1.00 0.00 C ATOM 1159 NZ LYS A 77 -10.213 -17.706 10.391 1.00 0.00 N ATOM 1160 OXT LYS A 77 -11.332 -14.337 4.753 1.00 0.00 O ATOM 0 H LYS A 77 -9.352 -16.319 3.347 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.811 -17.426 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.641 -15.905 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.286 -16.065 6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.090 -18.553 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.471 -18.431 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.093 -18.738 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.889 -17.011 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.148 -16.555 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.564 -18.257 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.975 -17.529 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.848 -18.671 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.445 -17.022 10.543 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -17.655 3.709 -6.089 1.00 0.00 N ATOM 1176 CA GLY B 45 -17.878 3.326 -4.666 1.00 0.00 C ATOM 1177 C GLY B 45 -16.562 3.429 -3.899 1.00 0.00 C ATOM 1178 O GLY B 45 -16.253 4.470 -3.321 1.00 0.00 O ATOM 0 HA2 GLY B 45 -18.626 3.979 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -18.266 2.309 -4.608 1.00 0.00 H new ATOM 1184 N THR B 46 -15.785 2.346 -3.900 1.00 0.00 N ATOM 1185 CA THR B 46 -14.503 2.338 -3.201 1.00 0.00 C ATOM 1186 C THR B 46 -13.412 2.943 -4.084 1.00 0.00 C ATOM 1187 O THR B 46 -13.597 3.106 -5.289 1.00 0.00 O ATOM 1188 CB THR B 46 -14.109 0.907 -2.817 1.00 0.00 C ATOM 1189 OG1 THR B 46 -13.930 0.129 -3.996 1.00 0.00 O ATOM 1190 CG2 THR B 46 -15.201 0.276 -1.947 1.00 0.00 C ATOM 0 H THR B 46 -16.018 1.472 -4.372 1.00 0.00 H new ATOM 0 HA THR B 46 -14.607 2.936 -2.296 1.00 0.00 H new ATOM 0 HB THR B 46 -13.177 0.934 -2.253 1.00 0.00 H new ATOM 0 HG1 THR B 46 -13.677 -0.785 -3.749 1.00 0.00 H new ATOM 0 HG21 THR B 46 -14.911 -0.740 -1.680 1.00 0.00 H new ATOM 0 HG22 THR B 46 -15.330 0.867 -1.040 1.00 0.00 H new ATOM 0 HG23 THR B 46 -16.139 0.252 -2.501 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.273 3.267 -3.472 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.145 3.849 -4.202 1.00 0.00 C ATOM 1200 C GLY B 47 -9.825 3.434 -3.558 1.00 0.00 C ATOM 1201 O GLY B 47 -8.746 3.812 -4.016 1.00 0.00 O ATOM 0 H GLY B 47 -12.106 3.137 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.169 3.522 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.229 4.936 -4.208 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.930 2.667 -2.480 1.00 0.00 N ATOM 1206 CA ALA B 48 -8.757 2.208 -1.743 1.00 0.00 C ATOM 1207 C ALA B 48 -7.816 1.377 -2.619 1.00 0.00 C ATOM 1208 O ALA B 48 -6.608 1.604 -2.625 1.00 0.00 O ATOM 1209 CB ALA B 48 -9.216 1.371 -0.548 1.00 0.00 C ATOM 0 H ALA B 48 -10.819 2.348 -2.095 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.204 3.085 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.346 1.024 0.009 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.844 1.980 0.103 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.786 0.512 -0.903 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.371 0.409 -3.345 1.00 0.00 N ATOM 1216 CA ALA B 49 -7.558 -0.455 -4.201 1.00 0.00 C ATOM 1217 C ALA B 49 -6.805 0.359 -5.249 1.00 0.00 C ATOM 1218 O ALA B 49 -5.639 0.089 -5.537 1.00 0.00 O ATOM 1219 CB ALA B 49 -8.455 -1.477 -4.902 1.00 0.00 C ATOM 0 H ALA B 49 -9.370 0.203 -3.359 1.00 0.00 H new ATOM 0 HA ALA B 49 -6.830 -0.967 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -7.846 -2.119 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -8.966 -2.085 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.193 -0.956 -5.512 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.480 1.350 -5.817 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.867 2.193 -6.838 1.00 0.00 C ATOM 1227 C LEU B 50 -5.674 2.946 -6.241 1.00 0.00 C ATOM 1228 O LEU B 50 -4.604 3.027 -6.843 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.914 3.192 -7.361 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.573 3.639 -8.791 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -8.670 4.582 -9.299 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -6.212 4.356 -8.820 1.00 0.00 C ATOM 0 H LEU B 50 -8.445 1.590 -5.591 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.513 1.574 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.902 2.732 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.955 4.060 -6.704 1.00 0.00 H new ATOM 0 HG LEU B 50 -7.514 2.762 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.433 4.902 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -9.627 4.061 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.730 5.454 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -5.986 4.666 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -6.249 5.233 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -5.436 3.677 -8.466 1.00 0.00 H new ATOM 1244 N SER B 51 -5.872 3.485 -5.044 1.00 0.00 N ATOM 1245 CA SER B 51 -4.816 4.226 -4.365 1.00 0.00 C ATOM 1246 C SER B 51 -3.609 3.335 -4.123 1.00 0.00 C ATOM 1247 O SER B 51 -2.467 3.726 -4.376 1.00 0.00 O ATOM 1248 CB SER B 51 -5.339 4.740 -3.025 1.00 0.00 C ATOM 1249 OG SER B 51 -4.241 5.151 -2.220 1.00 0.00 O ATOM 0 H SER B 51 -6.749 3.424 -4.526 1.00 0.00 H new ATOM 0 HA SER B 51 -4.515 5.063 -4.995 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.021 5.575 -3.184 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.904 3.958 -2.518 1.00 0.00 H new ATOM 0 HG SER B 51 -4.572 5.483 -1.360 1.00 0.00 H new ATOM 1255 N TRP B 52 -3.873 2.133 -3.635 1.00 0.00 N ATOM 1256 CA TRP B 52 -2.811 1.185 -3.356 1.00 0.00 C ATOM 1257 C TRP B 52 -2.087 0.791 -4.643 1.00 0.00 C ATOM 1258 O TRP B 52 -0.859 0.756 -4.686 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.395 -0.064 -2.684 1.00 0.00 C ATOM 1260 CG TRP B 52 -3.738 0.228 -1.251 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -4.982 0.152 -0.718 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -2.856 0.638 -0.162 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -4.918 0.486 0.623 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.631 0.795 1.013 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.471 0.889 -0.079 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.056 1.182 2.227 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -0.890 1.277 1.138 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.679 1.424 2.288 1.00 0.00 C ATOM 0 H TRP B 52 -4.812 1.793 -3.425 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.092 1.656 -2.685 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.287 -0.390 -3.219 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -2.676 -0.882 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -5.878 -0.125 -1.254 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -5.724 0.502 1.248 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -0.853 0.782 -0.958 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.669 1.293 3.109 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 0.172 1.464 1.189 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.224 1.724 3.220 1.00 0.00 H new ATOM 1279 N GLN B 53 -2.854 0.493 -5.686 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.272 0.093 -6.966 1.00 0.00 C ATOM 1281 C GLN B 53 -1.354 1.180 -7.526 1.00 0.00 C ATOM 1282 O GLN B 53 -0.268 0.886 -8.025 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.391 -0.197 -7.972 1.00 0.00 C ATOM 1284 CG GLN B 53 -2.785 -0.698 -9.286 1.00 0.00 C ATOM 1285 CD GLN B 53 -3.892 -1.113 -10.251 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.034 -1.317 -9.839 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -3.617 -1.254 -11.521 1.00 0.00 N ATOM 0 H GLN B 53 -3.874 0.520 -5.673 1.00 0.00 H new ATOM 0 HA GLN B 53 -1.676 -0.805 -6.800 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.073 -0.944 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.976 0.705 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.175 0.085 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.125 -1.544 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.670 -1.084 -11.860 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.349 -1.534 -12.173 1.00 0.00 H new ATOM 1296 N ALA B 54 -1.796 2.433 -7.454 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.001 3.543 -7.973 1.00 0.00 C ATOM 1298 C ALA B 54 0.301 3.709 -7.190 1.00 0.00 C ATOM 1299 O ALA B 54 1.358 3.955 -7.771 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.808 4.841 -7.902 1.00 0.00 C ATOM 0 H ALA B 54 -2.691 2.704 -7.046 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.752 3.319 -9.010 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.208 5.664 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.714 4.739 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.077 5.046 -6.866 1.00 0.00 H new ATOM 1306 N ALA B 55 0.219 3.578 -5.869 1.00 0.00 N ATOM 1307 CA ALA B 55 1.399 3.720 -5.022 1.00 0.00 C ATOM 1308 C ALA B 55 2.397 2.593 -5.286 1.00 0.00 C ATOM 1309 O ALA B 55 3.607 2.821 -5.344 1.00 0.00 O ATOM 1310 CB ALA B 55 0.985 3.705 -3.551 1.00 0.00 C ATOM 0 H ALA B 55 -0.644 3.375 -5.365 1.00 0.00 H new ATOM 0 HA ALA B 55 1.879 4.670 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.870 3.811 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.301 4.531 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.489 2.762 -3.322 1.00 0.00 H new ATOM 1316 N ILE B 56 1.878 1.380 -5.443 1.00 0.00 N ATOM 1317 CA ILE B 56 2.723 0.217 -5.701 1.00 0.00 C ATOM 1318 C ILE B 56 3.427 0.351 -7.050 1.00 0.00 C ATOM 1319 O ILE B 56 4.617 0.059 -7.175 1.00 0.00 O ATOM 1320 CB ILE B 56 1.864 -1.053 -5.687 1.00 0.00 C ATOM 1321 CG1 ILE B 56 1.366 -1.310 -4.262 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.691 -2.252 -6.158 1.00 0.00 C ATOM 1323 CD1 ILE B 56 0.260 -2.368 -4.287 1.00 0.00 C ATOM 0 H ILE B 56 0.880 1.176 -5.397 1.00 0.00 H new ATOM 0 HA ILE B 56 3.482 0.155 -4.921 1.00 0.00 H new ATOM 0 HB ILE B 56 1.016 -0.919 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE B 56 2.190 -1.646 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.989 -0.385 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.072 -3.149 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.047 -2.072 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE B 56 3.544 -2.390 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.093 -2.549 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.568 -2.014 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.652 -3.295 -4.706 1.00 0.00 H new ATOM 1335 N ASP B 57 2.678 0.787 -8.057 1.00 0.00 N ATOM 1336 CA ASP B 57 3.230 0.947 -9.396 1.00 0.00 C ATOM 1337 C ASP B 57 4.359 1.974 -9.397 1.00 0.00 C ATOM 1338 O ASP B 57 5.414 1.749 -9.992 1.00 0.00 O ATOM 1339 CB ASP B 57 2.121 1.397 -10.350 1.00 0.00 C ATOM 1340 CG ASP B 57 1.161 0.239 -10.616 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.520 -0.886 -10.315 1.00 0.00 O ATOM 1342 OD2 ASP B 57 0.078 0.498 -11.117 1.00 0.00 O ATOM 0 H ASP B 57 1.692 1.035 -7.972 1.00 0.00 H new ATOM 0 HA ASP B 57 3.636 -0.010 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.579 2.239 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP B 57 2.555 1.744 -11.288 1.00 0.00 H new ATOM 1347 N ALA B 58 4.134 3.097 -8.725 1.00 0.00 N ATOM 1348 CA ALA B 58 5.145 4.144 -8.656 1.00 0.00 C ATOM 1349 C ALA B 58 6.354 3.671 -7.853 1.00 0.00 C ATOM 1350 O ALA B 58 7.499 3.928 -8.228 1.00 0.00 O ATOM 1351 CB ALA B 58 4.549 5.396 -8.011 1.00 0.00 C ATOM 0 H ALA B 58 3.270 3.305 -8.225 1.00 0.00 H new ATOM 0 HA ALA B 58 5.473 4.380 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.308 6.176 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.707 5.747 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.206 5.159 -7.004 1.00 0.00 H new ATOM 1357 N ALA B 59 6.092 2.972 -6.751 1.00 0.00 N ATOM 1358 CA ALA B 59 7.168 2.461 -5.910 1.00 0.00 C ATOM 1359 C ALA B 59 7.989 1.433 -6.679 1.00 0.00 C ATOM 1360 O ALA B 59 9.214 1.391 -6.574 1.00 0.00 O ATOM 1361 CB ALA B 59 6.585 1.819 -4.649 1.00 0.00 C ATOM 0 H ALA B 59 5.152 2.749 -6.423 1.00 0.00 H new ATOM 0 HA ALA B 59 7.815 3.290 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA B 59 7.395 1.440 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA B 59 6.016 2.563 -4.091 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.928 0.996 -4.930 1.00 0.00 H new ATOM 1367 N ARG B 60 7.296 0.607 -7.457 1.00 0.00 N ATOM 1368 CA ARG B 60 7.950 -0.420 -8.249 1.00 0.00 C ATOM 1369 C ARG B 60 8.911 0.207 -9.253 1.00 0.00 C ATOM 1370 O ARG B 60 10.038 -0.259 -9.419 1.00 0.00 O ATOM 1371 CB ARG B 60 6.896 -1.237 -8.997 1.00 0.00 C ATOM 1372 CG ARG B 60 7.521 -2.534 -9.545 1.00 0.00 C ATOM 1373 CD ARG B 60 7.407 -3.643 -8.499 1.00 0.00 C ATOM 1374 NE ARG B 60 6.003 -3.930 -8.226 1.00 0.00 N ATOM 1375 CZ ARG B 60 5.296 -4.737 -9.015 1.00 0.00 C ATOM 1376 NH1 ARG B 60 5.837 -5.249 -10.091 1.00 0.00 N ATOM 1377 NH2 ARG B 60 4.052 -5.004 -8.721 1.00 0.00 N ATOM 0 H ARG B 60 6.281 0.632 -7.553 1.00 0.00 H new ATOM 0 HA ARG B 60 8.516 -1.069 -7.580 1.00 0.00 H new ATOM 0 HB2 ARG B 60 6.069 -1.477 -8.329 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.483 -0.649 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.015 -2.833 -10.463 1.00 0.00 H new ATOM 0 HG3 ARG B 60 8.568 -2.366 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.908 -4.543 -8.855 1.00 0.00 H new ATOM 0 HD3 ARG B 60 7.910 -3.341 -7.580 1.00 0.00 H new ATOM 0 HE ARG B 60 5.554 -3.504 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG B 60 6.805 -5.031 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG B 60 5.291 -5.867 -10.692 1.00 0.00 H new ATOM 0 HH21 ARG B 60 3.625 -4.595 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.507 -5.622 -9.323 1.00 0.00 H new ATOM 1391 N GLN B 61 8.457 1.264 -9.923 1.00 0.00 N ATOM 1392 CA GLN B 61 9.293 1.941 -10.909 1.00 0.00 C ATOM 1393 C GLN B 61 10.524 2.528 -10.232 1.00 0.00 C ATOM 1394 O GLN B 61 11.634 2.457 -10.763 1.00 0.00 O ATOM 1395 CB GLN B 61 8.498 3.058 -11.596 1.00 0.00 C ATOM 1396 CG GLN B 61 9.383 3.763 -12.627 1.00 0.00 C ATOM 1397 CD GLN B 61 8.559 4.769 -13.428 1.00 0.00 C ATOM 1398 OE1 GLN B 61 7.264 4.820 -13.270 1.00 0.00 O flip ATOM 1399 NE2 GLN B 61 9.114 5.531 -14.221 1.00 0.00 N flip ATOM 0 H GLN B 61 7.527 1.665 -9.803 1.00 0.00 H new ATOM 0 HA GLN B 61 9.609 1.216 -11.659 1.00 0.00 H new ATOM 0 HB2 GLN B 61 7.616 2.643 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN B 61 8.145 3.775 -10.855 1.00 0.00 H new ATOM 0 HG2 GLN B 61 10.205 4.273 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.827 3.029 -13.299 1.00 0.00 H new ATOM 0 HE21 GLN B 61 10.126 5.491 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN B 61 8.562 6.202 -14.755 1.00 0.00 H new ATOM 1408 N ALA B 62 10.322 3.102 -9.051 1.00 0.00 N ATOM 1409 CA ALA B 62 11.421 3.697 -8.303 1.00 0.00 C ATOM 1410 C ALA B 62 12.459 2.634 -7.954 1.00 0.00 C ATOM 1411 O ALA B 62 13.663 2.861 -8.087 1.00 0.00 O ATOM 1412 CB ALA B 62 10.885 4.336 -7.020 1.00 0.00 C ATOM 0 H ALA B 62 9.413 3.167 -8.594 1.00 0.00 H new ATOM 0 HA ALA B 62 11.894 4.462 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.710 4.780 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA B 62 10.160 5.110 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA B 62 10.402 3.574 -6.408 1.00 0.00 H new ATOM 1418 N LYS B 63 11.985 1.471 -7.518 1.00 0.00 N ATOM 1419 CA LYS B 63 12.880 0.374 -7.162 1.00 0.00 C ATOM 1420 C LYS B 63 13.652 -0.105 -8.388 1.00 0.00 C ATOM 1421 O LYS B 63 14.861 -0.325 -8.328 1.00 0.00 O ATOM 1422 CB LYS B 63 12.071 -0.788 -6.574 1.00 0.00 C ATOM 1423 CG LYS B 63 13.019 -1.897 -6.111 1.00 0.00 C ATOM 1424 CD LYS B 63 12.209 -3.031 -5.477 1.00 0.00 C ATOM 1425 CE LYS B 63 13.157 -4.134 -5.002 1.00 0.00 C ATOM 1426 NZ LYS B 63 12.369 -5.234 -4.378 1.00 0.00 N ATOM 0 H LYS B 63 10.993 1.264 -7.403 1.00 0.00 H new ATOM 0 HA LYS B 63 13.591 0.733 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS B 63 11.470 -0.437 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS B 63 11.379 -1.177 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.594 -2.275 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.735 -1.501 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.627 -2.651 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.500 -3.433 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.735 -4.518 -5.843 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.870 -3.730 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.011 -5.998 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 11.863 -4.870 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 11.682 -5.603 -5.066 1.00 0.00 H new ATOM 1440 N LEU B 64 12.939 -0.268 -9.498 1.00 0.00 N ATOM 1441 CA LEU B 64 13.553 -0.730 -10.738 1.00 0.00 C ATOM 1442 C LEU B 64 14.591 0.271 -11.237 1.00 0.00 C ATOM 1443 O LEU B 64 15.658 -0.117 -11.716 1.00 0.00 O ATOM 1444 CB LEU B 64 12.469 -0.932 -11.803 1.00 0.00 C ATOM 1445 CG LEU B 64 11.580 -2.132 -11.426 1.00 0.00 C ATOM 1446 CD1 LEU B 64 10.303 -2.104 -12.272 1.00 0.00 C ATOM 1447 CD2 LEU B 64 12.322 -3.463 -11.670 1.00 0.00 C ATOM 0 H LEU B 64 11.937 -0.087 -9.564 1.00 0.00 H new ATOM 0 HA LEU B 64 14.057 -1.677 -10.545 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.861 -0.032 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.930 -1.102 -12.776 1.00 0.00 H new ATOM 0 HG LEU B 64 11.331 -2.060 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.672 -2.952 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.762 -1.177 -12.084 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.565 -2.163 -13.328 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.674 -4.296 -11.397 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.590 -3.542 -12.724 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.226 -3.492 -11.062 1.00 0.00 H new ATOM 1459 N MET B 65 14.273 1.557 -11.130 1.00 0.00 N ATOM 1460 CA MET B 65 15.186 2.600 -11.584 1.00 0.00 C ATOM 1461 C MET B 65 16.456 2.620 -10.732 1.00 0.00 C ATOM 1462 O MET B 65 17.552 2.848 -11.247 1.00 0.00 O ATOM 1463 CB MET B 65 14.494 3.963 -11.516 1.00 0.00 C ATOM 1464 CG MET B 65 15.430 5.045 -12.062 1.00 0.00 C ATOM 1465 SD MET B 65 14.581 6.643 -12.043 1.00 0.00 S ATOM 1466 CE MET B 65 15.949 7.628 -12.699 1.00 0.00 C ATOM 0 H MET B 65 13.397 1.900 -10.736 1.00 0.00 H new ATOM 0 HA MET B 65 15.466 2.387 -12.616 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.570 3.942 -12.094 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.220 4.192 -10.486 1.00 0.00 H new ATOM 0 HG2 MET B 65 16.336 5.095 -11.458 1.00 0.00 H new ATOM 0 HG3 MET B 65 15.737 4.796 -13.078 1.00 0.00 H new ATOM 0 HE1 MET B 65 15.643 8.671 -12.774 1.00 0.00 H new ATOM 0 HE2 MET B 65 16.807 7.549 -12.032 1.00 0.00 H new ATOM 0 HE3 MET B 65 16.223 7.258 -13.687 1.00 0.00 H new ATOM 1476 N GLY B 66 16.306 2.376 -9.431 1.00 0.00 N ATOM 1477 CA GLY B 66 17.451 2.362 -8.520 1.00 0.00 C ATOM 1478 C GLY B 66 17.741 3.750 -7.948 1.00 0.00 C ATOM 1479 O GLY B 66 18.799 3.976 -7.360 1.00 0.00 O ATOM 0 H GLY B 66 15.408 2.186 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY B 66 17.257 1.666 -7.704 1.00 0.00 H new ATOM 0 HA3 GLY B 66 18.331 1.996 -9.049 1.00 0.00 H new ATOM 1483 N SER B 67 16.803 4.678 -8.117 1.00 0.00 N ATOM 1484 CA SER B 67 16.987 6.033 -7.605 1.00 0.00 C ATOM 1485 C SER B 67 16.990 6.036 -6.077 1.00 0.00 C ATOM 1486 O SER B 67 16.256 5.278 -5.444 1.00 0.00 O ATOM 1487 CB SER B 67 15.869 6.944 -8.112 1.00 0.00 C ATOM 1488 OG SER B 67 16.066 8.256 -7.600 1.00 0.00 O ATOM 0 H SER B 67 15.918 4.520 -8.599 1.00 0.00 H new ATOM 0 HA SER B 67 17.948 6.404 -7.962 1.00 0.00 H new ATOM 0 HB2 SER B 67 15.865 6.963 -9.202 1.00 0.00 H new ATOM 0 HB3 SER B 67 14.899 6.559 -7.796 1.00 0.00 H new ATOM 0 HG SER B 67 15.352 8.844 -7.924 1.00 0.00 H new ATOM 1494 N ALA B 68 17.822 6.893 -5.493 1.00 0.00 N ATOM 1495 CA ALA B 68 17.914 6.991 -4.040 1.00 0.00 C ATOM 1496 C ALA B 68 18.454 8.357 -3.635 1.00 0.00 C ATOM 1497 O ALA B 68 18.289 8.720 -2.482 1.00 0.00 O ATOM 1498 CB ALA B 68 18.838 5.897 -3.498 1.00 0.00 C ATOM 1499 OXT ALA B 68 19.024 9.021 -4.485 1.00 0.00 O ATOM 0 H ALA B 68 18.439 7.527 -6.001 1.00 0.00 H new ATOM 0 HA ALA B 68 16.916 6.863 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA B 68 18.900 5.978 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA B 68 18.440 4.918 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA B 68 19.832 6.014 -3.928 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 5.558 2.388 11.909 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.879 -2.551 12.652 1.00 0.00 CA