USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=24 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 60 ASN : amide:sc= 0.19 K(o=1.3,f=-2.5!) USER MOD Set 1.2: A 62 THR OG1 : rot -115:sc= 1.15 USER MOD Set 2.1: A 51 MET CE :methyl 172:sc= -0.0255 (180deg=0) USER MOD Set 2.2: B 51 SER OG : rot 75:sc= -0.0997 USER MOD Set 3.1: A 36 MET CE :methyl 158:sc= -0.257 (180deg=0) USER MOD Set 3.2: A 41 GLN :FLIP amide:sc= -0.0393 F(o=-3.3!,f=-0.3) USER MOD Single : A 1 ALA N :NH3+ -164:sc= -0.107 (180deg=-0.487) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 8 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.37) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0393) USER MOD Single : A 17 SER OG : rot -170:sc= -0.575 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= -0.689 (180deg=-0.7) USER MOD Single : A 26 THR OG1 : rot 71:sc= -0.944 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.098 USER MOD Single : A 29 THR OG1 : rot 143:sc= 0.0329 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 1.17 USER MOD Single : A 38 SER OG : rot 89:sc= 1.18 USER MOD Single : A 42 ASN : amide:sc= -0.611 K(o=-0.61,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.7!) USER MOD Single : A 53 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.281 USER MOD Single : A 71 MET CE :methyl 162:sc= -0.92 (180deg=-1.63!) USER MOD Single : A 72 MET CE :methyl -148:sc= -0.0877 (180deg=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0693 (180deg=-0.535) 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= -0.263 K(o=-0.26,f=-2.1) USER MOD Single : B 61 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.88) USER MOD Single : B 63 LYS NZ :NH3+ 157:sc= -0.222 (180deg=-1.04) USER MOD Single : B 65 MET CE :methyl -106:sc=-0.00306 (180deg=-0.0885) USER MOD Single : B 67 SER OG : rot 180:sc=-0.00444 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.438 -15.440 -6.341 1.00 0.00 N ATOM 2 CA ALA A 1 -11.959 -16.801 -5.976 1.00 0.00 C ATOM 3 C ALA A 1 -11.280 -16.720 -4.624 1.00 0.00 C ATOM 4 O ALA A 1 -11.183 -17.712 -3.901 1.00 0.00 O ATOM 5 CB ALA A 1 -10.969 -17.299 -7.031 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.130 -15.511 -7.114 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.887 -14.997 -5.514 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.632 -14.860 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.797 -17.497 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.620 -18.296 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.462 -17.338 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.119 -16.619 -7.082 1.00 0.00 H new ATOM 13 N ASP A 2 -10.801 -15.527 -4.296 1.00 0.00 N ATOM 14 CA ASP A 2 -10.126 -15.310 -3.029 1.00 0.00 C ATOM 15 C ASP A 2 -8.977 -16.295 -2.860 1.00 0.00 C ATOM 16 O ASP A 2 -8.707 -16.767 -1.756 1.00 0.00 O ATOM 17 CB ASP A 2 -11.138 -15.465 -1.893 1.00 0.00 C ATOM 18 CG ASP A 2 -12.097 -14.278 -1.890 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.791 -13.292 -2.542 1.00 0.00 O ATOM 20 OD2 ASP A 2 -13.125 -14.373 -1.242 1.00 0.00 O ATOM 0 H ASP A 2 -10.868 -14.700 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.709 -14.303 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.695 -16.394 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.619 -15.527 -0.937 1.00 0.00 H new ATOM 25 N GLN A 3 -8.301 -16.604 -3.972 1.00 0.00 N ATOM 26 CA GLN A 3 -7.170 -17.538 -3.962 1.00 0.00 C ATOM 27 C GLN A 3 -5.914 -16.860 -4.513 1.00 0.00 C ATOM 28 O GLN A 3 -5.845 -16.520 -5.695 1.00 0.00 O ATOM 29 CB GLN A 3 -7.508 -18.764 -4.817 1.00 0.00 C ATOM 30 CG GLN A 3 -6.343 -19.758 -4.793 1.00 0.00 C ATOM 31 CD GLN A 3 -6.694 -20.994 -5.612 1.00 0.00 C ATOM 32 OE1 GLN A 3 -6.945 -20.891 -6.812 1.00 0.00 O ATOM 33 NE2 GLN A 3 -6.725 -22.163 -5.032 1.00 0.00 N ATOM 0 H GLN A 3 -8.518 -16.220 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.980 -17.849 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.412 -19.242 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.713 -18.457 -5.842 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.445 -19.288 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.120 -20.044 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.516 -22.244 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.958 -22.995 -5.574 1.00 0.00 H new ATOM 42 N LEU A 4 -4.932 -16.666 -3.638 1.00 0.00 N ATOM 43 CA LEU A 4 -3.668 -16.019 -4.017 1.00 0.00 C ATOM 44 C LEU A 4 -2.630 -17.054 -4.462 1.00 0.00 C ATOM 45 O LEU A 4 -2.982 -18.087 -5.031 1.00 0.00 O ATOM 46 CB LEU A 4 -3.125 -15.187 -2.839 1.00 0.00 C ATOM 47 CG LEU A 4 -2.596 -16.083 -1.700 1.00 0.00 C ATOM 48 CD1 LEU A 4 -2.134 -15.198 -0.551 1.00 0.00 C ATOM 49 CD2 LEU A 4 -3.700 -17.024 -1.210 1.00 0.00 C ATOM 0 H LEU A 4 -4.982 -16.946 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.864 -15.356 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.324 -14.537 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.915 -14.541 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.764 -16.683 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.758 -15.822 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.340 -14.536 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.972 -14.602 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.314 -17.651 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.541 -16.437 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.033 -17.655 -2.034 1.00 0.00 H new ATOM 61 N THR A 5 -1.351 -16.769 -4.201 1.00 0.00 N ATOM 62 CA THR A 5 -0.273 -17.678 -4.571 1.00 0.00 C ATOM 63 C THR A 5 1.055 -17.235 -3.945 1.00 0.00 C ATOM 64 O THR A 5 1.154 -16.163 -3.355 1.00 0.00 O ATOM 65 CB THR A 5 -0.141 -17.722 -6.088 1.00 0.00 C ATOM 66 OG1 THR A 5 1.030 -18.446 -6.442 1.00 0.00 O ATOM 67 CG2 THR A 5 -0.054 -16.297 -6.629 1.00 0.00 C ATOM 0 H THR A 5 -1.041 -15.916 -3.735 1.00 0.00 H new ATOM 0 HA THR A 5 -0.513 -18.673 -4.195 1.00 0.00 H new ATOM 0 HB THR A 5 -1.011 -18.218 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.114 -18.476 -7.418 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.041 -16.325 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.956 -15.749 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.816 -15.798 -6.202 1.00 0.00 H new ATOM 75 N GLU A 6 2.082 -18.065 -4.074 1.00 0.00 N ATOM 76 CA GLU A 6 3.391 -17.729 -3.513 1.00 0.00 C ATOM 77 C GLU A 6 3.767 -16.295 -3.874 1.00 0.00 C ATOM 78 O GLU A 6 4.026 -15.462 -3.017 1.00 0.00 O ATOM 79 CB GLU A 6 4.436 -18.698 -4.074 1.00 0.00 C ATOM 80 CG GLU A 6 5.743 -18.579 -3.286 1.00 0.00 C ATOM 81 CD GLU A 6 5.575 -19.185 -1.896 1.00 0.00 C ATOM 82 OE1 GLU A 6 4.557 -19.815 -1.665 1.00 0.00 O ATOM 83 OE2 GLU A 6 6.471 -19.016 -1.086 1.00 0.00 O ATOM 0 H GLU A 6 2.040 -18.964 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 6 3.353 -17.814 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.061 -19.720 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.616 -18.481 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.546 -19.089 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.032 -17.531 -3.202 1.00 0.00 H new ATOM 90 N GLU A 7 3.808 -16.022 -5.153 1.00 0.00 N ATOM 91 CA GLU A 7 4.158 -14.688 -5.628 1.00 0.00 C ATOM 92 C GLU A 7 3.404 -13.614 -4.825 1.00 0.00 C ATOM 93 O GLU A 7 4.007 -12.702 -4.262 1.00 0.00 O ATOM 94 CB GLU A 7 3.800 -14.557 -7.134 1.00 0.00 C ATOM 95 CG GLU A 7 3.408 -15.929 -7.690 1.00 0.00 C ATOM 96 CD GLU A 7 3.017 -15.822 -9.158 1.00 0.00 C ATOM 97 OE1 GLU A 7 2.857 -14.712 -9.629 1.00 0.00 O ATOM 98 OE2 GLU A 7 2.873 -16.857 -9.785 1.00 0.00 O ATOM 0 H GLU A 7 3.606 -16.697 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 7 5.229 -14.541 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.978 -13.853 -7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.651 -14.159 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.241 -16.623 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.576 -16.336 -7.115 1.00 0.00 H new ATOM 105 N GLN A 8 2.078 -13.715 -4.822 1.00 0.00 N ATOM 106 CA GLN A 8 1.222 -12.738 -4.152 1.00 0.00 C ATOM 107 C GLN A 8 1.714 -12.377 -2.750 1.00 0.00 C ATOM 108 O GLN A 8 1.919 -11.199 -2.460 1.00 0.00 O ATOM 109 CB GLN A 8 -0.196 -13.308 -4.058 1.00 0.00 C ATOM 110 CG GLN A 8 -0.942 -13.150 -5.383 1.00 0.00 C ATOM 111 CD GLN A 8 -1.283 -11.685 -5.624 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.847 -11.025 -4.751 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.978 -11.136 -6.767 1.00 0.00 N ATOM 0 H GLN A 8 1.568 -14.470 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 8 1.243 -11.823 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.150 -14.363 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.744 -12.799 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.329 -13.527 -6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.855 -13.746 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.511 -11.686 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.207 -10.157 -6.940 1.00 0.00 H new ATOM 122 N ILE A 9 1.881 -13.367 -1.875 1.00 0.00 N ATOM 123 CA ILE A 9 2.311 -13.063 -0.519 1.00 0.00 C ATOM 124 C ILE A 9 3.644 -12.311 -0.527 1.00 0.00 C ATOM 125 O ILE A 9 3.789 -11.286 0.142 1.00 0.00 O ATOM 126 CB ILE A 9 2.415 -14.351 0.308 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.172 -15.418 -0.482 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.016 -14.884 0.608 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.398 -16.652 0.380 1.00 0.00 C ATOM 0 H ILE A 9 1.730 -14.356 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 9 1.565 -12.417 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 9 2.942 -14.127 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.608 -15.688 -1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.130 -15.020 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.093 -15.799 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.455 -14.138 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.499 -15.096 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.938 -17.404 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.982 -16.380 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.436 -17.058 0.694 1.00 0.00 H new ATOM 141 N ALA A 10 4.607 -12.805 -1.292 1.00 0.00 N ATOM 142 CA ALA A 10 5.902 -12.156 -1.373 1.00 0.00 C ATOM 143 C ALA A 10 5.744 -10.759 -1.963 1.00 0.00 C ATOM 144 O ALA A 10 6.431 -9.816 -1.562 1.00 0.00 O ATOM 145 CB ALA A 10 6.837 -12.995 -2.242 1.00 0.00 C ATOM 0 H ALA A 10 4.515 -13.647 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 10 6.328 -12.067 -0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.810 -12.509 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.953 -13.985 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.415 -13.091 -3.243 1.00 0.00 H new ATOM 151 N GLU A 11 4.827 -10.643 -2.918 1.00 0.00 N ATOM 152 CA GLU A 11 4.559 -9.371 -3.578 1.00 0.00 C ATOM 153 C GLU A 11 4.122 -8.308 -2.570 1.00 0.00 C ATOM 154 O GLU A 11 4.641 -7.191 -2.571 1.00 0.00 O ATOM 155 CB GLU A 11 3.457 -9.565 -4.633 1.00 0.00 C ATOM 156 CG GLU A 11 3.482 -8.414 -5.644 1.00 0.00 C ATOM 157 CD GLU A 11 3.066 -7.111 -4.969 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.252 -7.173 -4.063 1.00 0.00 O ATOM 159 OE2 GLU A 11 3.565 -6.073 -5.368 1.00 0.00 O ATOM 0 H GLU A 11 4.255 -11.418 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 11 5.478 -9.031 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.601 -10.515 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.482 -9.610 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.482 -8.311 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.809 -8.634 -6.473 1.00 0.00 H new ATOM 166 N PHE A 12 3.166 -8.655 -1.711 1.00 0.00 N ATOM 167 CA PHE A 12 2.682 -7.716 -0.718 1.00 0.00 C ATOM 168 C PHE A 12 3.809 -7.344 0.247 1.00 0.00 C ATOM 169 O PHE A 12 3.933 -6.190 0.660 1.00 0.00 O ATOM 170 CB PHE A 12 1.466 -8.341 0.009 1.00 0.00 C ATOM 171 CG PHE A 12 1.719 -8.476 1.495 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.780 -7.336 2.299 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.904 -9.744 2.060 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.024 -7.458 3.668 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.148 -9.866 3.428 1.00 0.00 C ATOM 176 CZ PHE A 12 2.209 -8.724 4.234 1.00 0.00 C ATOM 0 H PHE A 12 2.719 -9.571 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 12 2.355 -6.791 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.584 -7.722 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.251 -9.322 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.638 -6.359 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.858 -10.626 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.070 -6.576 4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.290 -10.843 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.399 -8.820 5.293 1.00 0.00 H new ATOM 186 N LYS A 13 4.625 -8.329 0.599 1.00 0.00 N ATOM 187 CA LYS A 13 5.726 -8.091 1.507 1.00 0.00 C ATOM 188 C LYS A 13 6.630 -6.992 0.955 1.00 0.00 C ATOM 189 O LYS A 13 7.028 -6.078 1.681 1.00 0.00 O ATOM 190 CB LYS A 13 6.527 -9.383 1.698 1.00 0.00 C ATOM 191 CG LYS A 13 7.665 -9.164 2.719 1.00 0.00 C ATOM 192 CD LYS A 13 8.987 -8.801 1.992 1.00 0.00 C ATOM 193 CE LYS A 13 9.855 -7.928 2.887 1.00 0.00 C ATOM 194 NZ LYS A 13 10.313 -8.730 4.052 1.00 0.00 N ATOM 0 H LYS A 13 4.542 -9.291 0.270 1.00 0.00 H new ATOM 0 HA LYS A 13 5.331 -7.770 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.868 -10.179 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.943 -9.705 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.393 -8.366 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.806 -10.067 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.526 -9.710 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.767 -8.276 1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.712 -7.552 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.291 -7.060 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.013 -8.185 4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.500 -8.953 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.747 -9.614 3.716 1.00 0.00 H new ATOM 208 N GLU A 14 6.946 -7.084 -0.337 1.00 0.00 N ATOM 209 CA GLU A 14 7.798 -6.090 -0.981 1.00 0.00 C ATOM 210 C GLU A 14 7.158 -4.710 -0.866 1.00 0.00 C ATOM 211 O GLU A 14 7.772 -3.766 -0.358 1.00 0.00 O ATOM 212 CB GLU A 14 7.983 -6.451 -2.461 1.00 0.00 C ATOM 213 CG GLU A 14 8.812 -7.736 -2.585 1.00 0.00 C ATOM 214 CD GLU A 14 8.890 -8.185 -4.044 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.396 -7.465 -4.893 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.442 -9.247 -4.288 1.00 0.00 O ATOM 0 H GLU A 14 6.626 -7.832 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 14 8.770 -6.077 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.011 -6.588 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.481 -5.635 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.816 -7.567 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.365 -8.524 -1.979 1.00 0.00 H new ATOM 223 N ALA A 15 5.915 -4.601 -1.323 1.00 0.00 N ATOM 224 CA ALA A 15 5.198 -3.334 -1.254 1.00 0.00 C ATOM 225 C ALA A 15 5.154 -2.838 0.187 1.00 0.00 C ATOM 226 O ALA A 15 5.321 -1.645 0.454 1.00 0.00 O ATOM 227 CB ALA A 15 3.780 -3.516 -1.810 1.00 0.00 C ATOM 0 H ALA A 15 5.388 -5.367 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 15 5.717 -2.588 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.244 -2.568 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.836 -3.845 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.251 -4.264 -1.220 1.00 0.00 H new ATOM 233 N PHE A 16 4.952 -3.762 1.118 1.00 0.00 N ATOM 234 CA PHE A 16 4.914 -3.403 2.527 1.00 0.00 C ATOM 235 C PHE A 16 6.230 -2.750 2.959 1.00 0.00 C ATOM 236 O PHE A 16 6.235 -1.662 3.537 1.00 0.00 O ATOM 237 CB PHE A 16 4.624 -4.674 3.364 1.00 0.00 C ATOM 238 CG PHE A 16 5.394 -4.655 4.672 1.00 0.00 C ATOM 239 CD1 PHE A 16 5.016 -3.794 5.707 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.513 -5.487 4.825 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.754 -3.770 6.896 1.00 0.00 C ATOM 242 CE2 PHE A 16 7.250 -5.457 6.008 1.00 0.00 C ATOM 243 CZ PHE A 16 6.873 -4.601 7.043 1.00 0.00 C ATOM 0 H PHE A 16 4.814 -4.754 0.925 1.00 0.00 H new ATOM 0 HA PHE A 16 4.120 -2.675 2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.556 -4.742 3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.896 -5.560 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.157 -3.150 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.804 -6.152 4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.461 -3.111 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.113 -6.096 6.123 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.444 -4.579 7.959 1.00 0.00 H new ATOM 253 N SER A 17 7.335 -3.424 2.675 1.00 0.00 N ATOM 254 CA SER A 17 8.651 -2.918 3.042 1.00 0.00 C ATOM 255 C SER A 17 8.870 -1.513 2.486 1.00 0.00 C ATOM 256 O SER A 17 9.559 -0.696 3.101 1.00 0.00 O ATOM 257 CB SER A 17 9.744 -3.877 2.526 1.00 0.00 C ATOM 258 OG SER A 17 9.994 -4.874 3.504 1.00 0.00 O ATOM 0 H SER A 17 7.347 -4.322 2.192 1.00 0.00 H new ATOM 0 HA SER A 17 8.710 -2.862 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.426 -4.340 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.658 -3.323 2.313 1.00 0.00 H new ATOM 0 HG SER A 17 10.790 -5.387 3.252 1.00 0.00 H new ATOM 264 N LEU A 18 8.289 -1.235 1.327 1.00 0.00 N ATOM 265 CA LEU A 18 8.440 0.082 0.709 1.00 0.00 C ATOM 266 C LEU A 18 7.703 1.157 1.499 1.00 0.00 C ATOM 267 O LEU A 18 8.211 2.265 1.678 1.00 0.00 O ATOM 268 CB LEU A 18 7.915 0.052 -0.728 1.00 0.00 C ATOM 269 CG LEU A 18 8.804 -0.856 -1.596 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.188 -0.985 -2.995 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.231 -0.275 -1.708 1.00 0.00 C ATOM 0 H LEU A 18 7.715 -1.892 0.799 1.00 0.00 H new ATOM 0 HA LEU A 18 9.502 0.327 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.888 -0.312 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.901 1.061 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 18 8.866 -1.838 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.816 -1.628 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.192 -1.420 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.118 0.001 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.844 -0.932 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.186 0.714 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.671 -0.197 -0.714 1.00 0.00 H new ATOM 283 N PHE A 19 6.498 0.833 1.954 1.00 0.00 N ATOM 284 CA PHE A 19 5.697 1.795 2.704 1.00 0.00 C ATOM 285 C PHE A 19 6.260 2.035 4.097 1.00 0.00 C ATOM 286 O PHE A 19 6.529 3.171 4.468 1.00 0.00 O ATOM 287 CB PHE A 19 4.255 1.306 2.815 1.00 0.00 C ATOM 288 CG PHE A 19 3.635 1.224 1.436 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.472 2.383 0.665 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.224 -0.010 0.930 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.899 2.300 -0.611 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.654 -0.095 -0.338 1.00 0.00 C ATOM 293 CZ PHE A 19 2.489 1.058 -1.113 1.00 0.00 C ATOM 0 H PHE A 19 6.058 -0.077 1.819 1.00 0.00 H new ATOM 0 HA PHE A 19 5.726 2.739 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.229 0.328 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.678 1.985 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.788 3.340 1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.348 -0.903 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.774 3.192 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.339 -1.053 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.047 0.991 -2.096 1.00 0.00 H new ATOM 303 N ASP A 20 6.433 0.974 4.872 1.00 0.00 N ATOM 304 CA ASP A 20 6.957 1.122 6.225 1.00 0.00 C ATOM 305 C ASP A 20 8.284 1.882 6.212 1.00 0.00 C ATOM 306 O ASP A 20 9.354 1.276 6.194 1.00 0.00 O ATOM 307 CB ASP A 20 7.160 -0.259 6.851 1.00 0.00 C ATOM 308 CG ASP A 20 7.298 -0.131 8.363 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.776 0.895 8.806 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.922 -1.060 9.056 1.00 0.00 O ATOM 0 H ASP A 20 6.223 0.015 4.595 1.00 0.00 H new ATOM 0 HA ASP A 20 6.239 1.690 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.316 -0.905 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.051 -0.729 6.435 1.00 0.00 H new ATOM 315 N LYS A 21 8.205 3.215 6.218 1.00 0.00 N ATOM 316 CA LYS A 21 9.417 4.030 6.202 1.00 0.00 C ATOM 317 C LYS A 21 10.209 3.843 7.494 1.00 0.00 C ATOM 318 O LYS A 21 11.393 3.502 7.462 1.00 0.00 O ATOM 319 CB LYS A 21 9.078 5.519 6.039 1.00 0.00 C ATOM 320 CG LYS A 21 8.394 5.788 4.690 1.00 0.00 C ATOM 321 CD LYS A 21 9.310 5.361 3.523 1.00 0.00 C ATOM 322 CE LYS A 21 8.997 6.178 2.267 1.00 0.00 C ATOM 323 NZ LYS A 21 9.384 5.393 1.059 1.00 0.00 N ATOM 0 H LYS A 21 7.332 3.742 6.234 1.00 0.00 H new ATOM 0 HA LYS A 21 10.018 3.703 5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.424 5.837 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.989 6.112 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.452 5.242 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.154 6.848 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.354 5.500 3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.174 4.299 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.935 6.421 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.539 7.123 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.204 5.959 0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.395 5.154 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.823 4.518 1.019 1.00 0.00 H new ATOM 337 N ASP A 22 9.557 4.073 8.628 1.00 0.00 N ATOM 338 CA ASP A 22 10.224 3.936 9.916 1.00 0.00 C ATOM 339 C ASP A 22 10.665 2.490 10.124 1.00 0.00 C ATOM 340 O ASP A 22 11.539 2.208 10.943 1.00 0.00 O ATOM 341 CB ASP A 22 9.262 4.355 11.033 1.00 0.00 C ATOM 342 CG ASP A 22 8.000 3.492 10.981 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.107 2.346 10.601 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.942 3.998 11.320 1.00 0.00 O ATOM 0 H ASP A 22 8.577 4.352 8.682 1.00 0.00 H new ATOM 0 HA ASP A 22 11.105 4.578 9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.748 4.247 12.003 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.999 5.407 10.923 1.00 0.00 H new ATOM 349 N GLY A 23 10.066 1.582 9.357 1.00 0.00 N ATOM 350 CA GLY A 23 10.411 0.168 9.445 1.00 0.00 C ATOM 351 C GLY A 23 10.068 -0.421 10.811 1.00 0.00 C ATOM 352 O GLY A 23 10.843 -1.200 11.367 1.00 0.00 O ATOM 0 H GLY A 23 9.343 1.800 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.880 -0.384 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.477 0.042 9.253 1.00 0.00 H new ATOM 356 N ASP A 24 8.908 -0.052 11.356 1.00 0.00 N ATOM 357 CA ASP A 24 8.495 -0.565 12.665 1.00 0.00 C ATOM 358 C ASP A 24 7.697 -1.864 12.525 1.00 0.00 C ATOM 359 O ASP A 24 7.353 -2.501 13.521 1.00 0.00 O ATOM 360 CB ASP A 24 7.660 0.487 13.404 1.00 0.00 C ATOM 361 CG ASP A 24 6.260 0.588 12.807 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.113 0.296 11.636 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.357 0.963 13.531 1.00 0.00 O ATOM 0 H ASP A 24 8.246 0.590 10.920 1.00 0.00 H new ATOM 0 HA ASP A 24 9.395 -0.780 13.242 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.591 0.226 14.460 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.155 1.456 13.346 1.00 0.00 H new ATOM 368 N GLY A 25 7.408 -2.253 11.282 1.00 0.00 N ATOM 369 CA GLY A 25 6.653 -3.481 11.018 1.00 0.00 C ATOM 370 C GLY A 25 5.200 -3.171 10.670 1.00 0.00 C ATOM 371 O GLY A 25 4.401 -4.077 10.432 1.00 0.00 O ATOM 0 H GLY A 25 7.683 -1.739 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.118 -4.027 10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.690 -4.129 11.894 1.00 0.00 H new ATOM 375 N THR A 26 4.862 -1.885 10.645 1.00 0.00 N ATOM 376 CA THR A 26 3.503 -1.454 10.326 1.00 0.00 C ATOM 377 C THR A 26 3.543 -0.211 9.445 1.00 0.00 C ATOM 378 O THR A 26 4.539 0.513 9.426 1.00 0.00 O ATOM 379 CB THR A 26 2.736 -1.146 11.621 1.00 0.00 C ATOM 380 OG1 THR A 26 3.611 -0.514 12.546 1.00 0.00 O ATOM 381 CG2 THR A 26 2.195 -2.441 12.230 1.00 0.00 C ATOM 0 H THR A 26 5.510 -1.122 10.842 1.00 0.00 H new ATOM 0 HA THR A 26 2.995 -2.255 9.789 1.00 0.00 H new ATOM 0 HB THR A 26 1.900 -0.484 11.395 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.809 0.396 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.653 -2.213 13.148 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.522 -2.923 11.521 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.024 -3.111 12.456 1.00 0.00 H new ATOM 389 N ILE A 27 2.448 0.037 8.723 1.00 0.00 N ATOM 390 CA ILE A 27 2.362 1.207 7.857 1.00 0.00 C ATOM 391 C ILE A 27 1.413 2.223 8.475 1.00 0.00 C ATOM 392 O ILE A 27 0.382 1.851 9.031 1.00 0.00 O ATOM 393 CB ILE A 27 1.857 0.809 6.477 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.848 -0.155 5.826 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.716 2.056 5.609 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.211 -0.770 4.576 1.00 0.00 C ATOM 0 H ILE A 27 1.616 -0.554 8.723 1.00 0.00 H new ATOM 0 HA ILE A 27 3.355 1.645 7.753 1.00 0.00 H new ATOM 0 HB ILE A 27 0.888 0.320 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.764 0.372 5.559 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.125 -0.940 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.354 1.772 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.007 2.743 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.686 2.545 5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.916 -1.458 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.307 -1.311 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.956 0.021 3.871 1.00 0.00 H new ATOM 408 N THR A 28 1.770 3.504 8.392 1.00 0.00 N ATOM 409 CA THR A 28 0.945 4.572 8.964 1.00 0.00 C ATOM 410 C THR A 28 0.707 5.683 7.941 1.00 0.00 C ATOM 411 O THR A 28 1.129 5.585 6.790 1.00 0.00 O ATOM 412 CB THR A 28 1.625 5.142 10.220 1.00 0.00 C ATOM 413 OG1 THR A 28 0.669 5.871 10.977 1.00 0.00 O ATOM 414 CG2 THR A 28 2.781 6.069 9.831 1.00 0.00 C ATOM 0 H THR A 28 2.622 3.829 7.936 1.00 0.00 H new ATOM 0 HA THR A 28 -0.022 4.152 9.240 1.00 0.00 H new ATOM 0 HB THR A 28 2.022 4.318 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.097 6.235 11.780 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.250 6.463 10.732 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.517 5.510 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.399 6.894 9.230 1.00 0.00 H new ATOM 422 N THR A 29 0.022 6.731 8.379 1.00 0.00 N ATOM 423 CA THR A 29 -0.290 7.859 7.508 1.00 0.00 C ATOM 424 C THR A 29 0.984 8.518 6.984 1.00 0.00 C ATOM 425 O THR A 29 1.101 8.817 5.798 1.00 0.00 O ATOM 426 CB THR A 29 -1.094 8.901 8.292 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.297 9.400 9.360 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.379 8.276 8.859 1.00 0.00 C ATOM 0 H THR A 29 -0.329 6.825 9.332 1.00 0.00 H new ATOM 0 HA THR A 29 -0.868 7.485 6.663 1.00 0.00 H new ATOM 0 HB THR A 29 -1.369 9.714 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.469 10.358 9.477 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.937 9.031 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.992 7.899 8.040 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.120 7.454 9.526 1.00 0.00 H new ATOM 436 N LYS A 30 1.925 8.753 7.889 1.00 0.00 N ATOM 437 CA LYS A 30 3.187 9.394 7.529 1.00 0.00 C ATOM 438 C LYS A 30 4.014 8.508 6.597 1.00 0.00 C ATOM 439 O LYS A 30 4.529 8.974 5.581 1.00 0.00 O ATOM 440 CB LYS A 30 3.985 9.692 8.797 1.00 0.00 C ATOM 441 CG LYS A 30 3.282 10.792 9.596 1.00 0.00 C ATOM 442 CD LYS A 30 3.987 10.987 10.946 1.00 0.00 C ATOM 443 CE LYS A 30 5.329 11.701 10.748 1.00 0.00 C ATOM 444 NZ LYS A 30 5.813 12.214 12.061 1.00 0.00 N ATOM 0 H LYS A 30 1.841 8.511 8.876 1.00 0.00 H new ATOM 0 HA LYS A 30 2.962 10.322 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.076 8.790 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.996 10.006 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.291 11.725 9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.237 10.526 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.353 11.569 11.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.149 10.020 11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.060 11.014 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.215 12.524 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.724 12.699 11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.118 12.882 12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.936 11.419 12.720 1.00 0.00 H new ATOM 458 N GLU A 31 4.126 7.227 6.941 1.00 0.00 N ATOM 459 CA GLU A 31 4.885 6.290 6.117 1.00 0.00 C ATOM 460 C GLU A 31 4.364 6.323 4.678 1.00 0.00 C ATOM 461 O GLU A 31 5.096 6.654 3.738 1.00 0.00 O ATOM 462 CB GLU A 31 4.745 4.871 6.691 1.00 0.00 C ATOM 463 CG GLU A 31 5.629 4.718 7.937 1.00 0.00 C ATOM 464 CD GLU A 31 5.211 3.497 8.751 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.053 3.416 9.110 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.065 2.672 9.020 1.00 0.00 O ATOM 0 H GLU A 31 3.706 6.817 7.775 1.00 0.00 H new ATOM 0 HA GLU A 31 5.936 6.577 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.704 4.675 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.032 4.136 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.673 4.622 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.555 5.614 8.553 1.00 0.00 H new ATOM 473 N LEU A 32 3.091 5.992 4.516 1.00 0.00 N ATOM 474 CA LEU A 32 2.477 5.995 3.196 1.00 0.00 C ATOM 475 C LEU A 32 2.493 7.394 2.597 1.00 0.00 C ATOM 476 O LEU A 32 2.819 7.571 1.422 1.00 0.00 O ATOM 477 CB LEU A 32 1.039 5.475 3.315 1.00 0.00 C ATOM 478 CG LEU A 32 0.219 5.745 2.042 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.805 4.952 0.881 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.229 5.306 2.268 1.00 0.00 C ATOM 0 H LEU A 32 2.467 5.720 5.276 1.00 0.00 H new ATOM 0 HA LEU A 32 3.046 5.345 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.057 4.403 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.552 5.949 4.167 1.00 0.00 H new ATOM 0 HG LEU A 32 0.250 6.810 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.224 5.144 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.839 5.256 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.773 3.888 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.812 5.497 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.255 4.241 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.654 5.867 3.100 1.00 0.00 H new ATOM 492 N GLY A 33 2.128 8.380 3.405 1.00 0.00 N ATOM 493 CA GLY A 33 2.090 9.755 2.934 1.00 0.00 C ATOM 494 C GLY A 33 3.383 10.107 2.225 1.00 0.00 C ATOM 495 O GLY A 33 3.370 10.731 1.163 1.00 0.00 O ATOM 0 H GLY A 33 1.857 8.254 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.247 9.891 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.934 10.430 3.775 1.00 0.00 H new ATOM 499 N THR A 34 4.500 9.705 2.815 1.00 0.00 N ATOM 500 CA THR A 34 5.796 9.988 2.223 1.00 0.00 C ATOM 501 C THR A 34 5.869 9.369 0.837 1.00 0.00 C ATOM 502 O THR A 34 6.235 10.035 -0.129 1.00 0.00 O ATOM 503 CB THR A 34 6.909 9.417 3.105 1.00 0.00 C ATOM 504 OG1 THR A 34 6.697 9.827 4.447 1.00 0.00 O ATOM 505 CG2 THR A 34 8.270 9.927 2.624 1.00 0.00 C ATOM 0 H THR A 34 4.534 9.188 3.693 1.00 0.00 H new ATOM 0 HA THR A 34 5.925 11.067 2.144 1.00 0.00 H new ATOM 0 HB THR A 34 6.895 8.329 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.105 9.187 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.057 9.516 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.433 9.613 1.593 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.291 11.015 2.679 1.00 0.00 H new ATOM 513 N VAL A 35 5.511 8.087 0.730 1.00 0.00 N ATOM 514 CA VAL A 35 5.539 7.399 -0.559 1.00 0.00 C ATOM 515 C VAL A 35 4.580 8.053 -1.554 1.00 0.00 C ATOM 516 O VAL A 35 4.908 8.220 -2.726 1.00 0.00 O ATOM 517 CB VAL A 35 5.131 5.934 -0.368 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.139 5.211 -1.720 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.113 5.240 0.575 1.00 0.00 C ATOM 0 H VAL A 35 5.202 7.511 1.513 1.00 0.00 H new ATOM 0 HA VAL A 35 6.553 7.463 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 35 4.129 5.901 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.848 4.170 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.434 5.696 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.140 5.253 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.817 4.199 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.116 5.281 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.107 5.744 1.542 1.00 0.00 H new ATOM 529 N MET A 36 3.404 8.439 -1.071 1.00 0.00 N ATOM 530 CA MET A 36 2.414 9.080 -1.936 1.00 0.00 C ATOM 531 C MET A 36 2.888 10.455 -2.417 1.00 0.00 C ATOM 532 O MET A 36 2.692 10.814 -3.578 1.00 0.00 O ATOM 533 CB MET A 36 1.077 9.216 -1.204 1.00 0.00 C ATOM 534 CG MET A 36 0.517 7.821 -0.943 1.00 0.00 C ATOM 535 SD MET A 36 -1.138 7.941 -0.220 1.00 0.00 S ATOM 536 CE MET A 36 -2.074 7.688 -1.746 1.00 0.00 C ATOM 0 H MET A 36 3.113 8.323 -0.100 1.00 0.00 H new ATOM 0 HA MET A 36 2.283 8.445 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.214 9.750 -0.264 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.376 9.798 -1.802 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.475 7.257 -1.875 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.178 7.275 -0.270 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.077 7.338 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.140 8.629 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.570 6.944 -2.363 1.00 0.00 H new ATOM 546 N ARG A 37 3.512 11.219 -1.522 1.00 0.00 N ATOM 547 CA ARG A 37 4.010 12.548 -1.881 1.00 0.00 C ATOM 548 C ARG A 37 5.295 12.444 -2.706 1.00 0.00 C ATOM 549 O ARG A 37 5.414 13.053 -3.770 1.00 0.00 O ATOM 550 CB ARG A 37 4.252 13.372 -0.620 1.00 0.00 C ATOM 551 CG ARG A 37 4.672 14.783 -1.032 1.00 0.00 C ATOM 552 CD ARG A 37 4.669 15.683 0.191 1.00 0.00 C ATOM 553 NE ARG A 37 5.216 16.992 -0.159 1.00 0.00 N ATOM 554 CZ ARG A 37 5.281 17.985 0.725 1.00 0.00 C ATOM 555 NH1 ARG A 37 4.844 17.813 1.946 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.783 19.138 0.367 1.00 0.00 N ATOM 0 H ARG A 37 3.684 10.946 -0.554 1.00 0.00 H new ATOM 0 HA ARG A 37 3.257 13.047 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.348 13.409 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.027 12.910 -0.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.665 14.763 -1.481 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.989 15.173 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.653 15.793 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.261 15.232 0.988 1.00 0.00 H new ATOM 0 HE ARG A 37 5.558 17.149 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.451 16.914 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.897 18.578 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.122 19.273 -0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.835 19.903 1.040 1.00 0.00 H new ATOM 570 N SER A 38 6.257 11.674 -2.202 1.00 0.00 N ATOM 571 CA SER A 38 7.533 11.501 -2.891 1.00 0.00 C ATOM 572 C SER A 38 7.310 11.125 -4.350 1.00 0.00 C ATOM 573 O SER A 38 8.167 11.373 -5.199 1.00 0.00 O ATOM 574 CB SER A 38 8.358 10.406 -2.208 1.00 0.00 C ATOM 575 OG SER A 38 8.560 10.749 -0.844 1.00 0.00 O ATOM 0 H SER A 38 6.178 11.162 -1.323 1.00 0.00 H new ATOM 0 HA SER A 38 8.073 12.447 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.843 9.448 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.318 10.291 -2.712 1.00 0.00 H new ATOM 0 HG SER A 38 7.822 10.395 -0.305 1.00 0.00 H new ATOM 581 N LEU A 39 6.157 10.524 -4.640 1.00 0.00 N ATOM 582 CA LEU A 39 5.837 10.117 -6.009 1.00 0.00 C ATOM 583 C LEU A 39 5.119 11.238 -6.756 1.00 0.00 C ATOM 584 O LEU A 39 5.015 11.208 -7.982 1.00 0.00 O ATOM 585 CB LEU A 39 4.954 8.872 -5.969 1.00 0.00 C ATOM 586 CG LEU A 39 5.765 7.684 -5.417 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.813 6.549 -5.019 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.754 7.162 -6.480 1.00 0.00 C ATOM 0 H LEU A 39 5.434 10.309 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 39 6.765 9.897 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.081 9.053 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.586 8.642 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 39 6.325 8.024 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.390 5.710 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.124 6.904 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.247 6.225 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.318 6.323 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.202 6.834 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.442 7.960 -6.760 1.00 0.00 H new ATOM 600 N GLY A 40 4.642 12.239 -6.013 1.00 0.00 N ATOM 601 CA GLY A 40 3.951 13.381 -6.619 1.00 0.00 C ATOM 602 C GLY A 40 2.435 13.206 -6.608 1.00 0.00 C ATOM 603 O GLY A 40 1.727 13.867 -7.369 1.00 0.00 O ATOM 0 H GLY A 40 4.720 12.283 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.214 14.291 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.293 13.508 -7.646 1.00 0.00 H new ATOM 607 N GLN A 41 1.934 12.314 -5.751 1.00 0.00 N ATOM 608 CA GLN A 41 0.488 12.069 -5.670 1.00 0.00 C ATOM 609 C GLN A 41 -0.133 12.888 -4.533 1.00 0.00 C ATOM 610 O GLN A 41 0.564 13.609 -3.815 1.00 0.00 O ATOM 611 CB GLN A 41 0.221 10.566 -5.458 1.00 0.00 C ATOM 612 CG GLN A 41 -1.191 10.192 -5.946 1.00 0.00 C ATOM 613 CD GLN A 41 -1.358 8.680 -6.010 1.00 0.00 C ATOM 614 OE1 GLN A 41 -1.635 8.118 -7.156 1.00 0.00 O flip ATOM 615 NE2 GLN A 41 -1.236 7.996 -4.996 1.00 0.00 N flip ATOM 0 H GLN A 41 2.497 11.755 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 41 0.026 12.381 -6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.965 9.979 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.324 10.318 -4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.937 10.617 -5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.366 10.624 -6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.020 8.441 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.351 6.984 -5.047 1.00 0.00 H new ATOM 624 N ASN A 42 -1.457 12.778 -4.394 1.00 0.00 N ATOM 625 CA ASN A 42 -2.194 13.513 -3.369 1.00 0.00 C ATOM 626 C ASN A 42 -1.377 13.628 -2.067 1.00 0.00 C ATOM 627 O ASN A 42 -1.288 12.665 -1.305 1.00 0.00 O ATOM 628 CB ASN A 42 -3.502 12.787 -3.073 1.00 0.00 C ATOM 629 CG ASN A 42 -4.174 12.383 -4.382 1.00 0.00 C ATOM 630 OD1 ASN A 42 -4.202 11.201 -4.726 1.00 0.00 O ATOM 631 ND2 ASN A 42 -4.712 13.303 -5.139 1.00 0.00 N ATOM 0 H ASN A 42 -2.040 12.183 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.390 14.518 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.309 11.904 -2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.165 13.432 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.158 13.043 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.686 14.281 -4.850 1.00 0.00 H new ATOM 638 N PRO A 43 -0.772 14.765 -1.807 1.00 0.00 N ATOM 639 CA PRO A 43 0.059 14.972 -0.583 1.00 0.00 C ATOM 640 C PRO A 43 -0.798 15.137 0.670 1.00 0.00 C ATOM 641 O PRO A 43 -0.305 15.029 1.794 1.00 0.00 O ATOM 642 CB PRO A 43 0.867 16.246 -0.898 1.00 0.00 C ATOM 643 CG PRO A 43 0.047 17.005 -1.901 1.00 0.00 C ATOM 644 CD PRO A 43 -0.823 15.977 -2.639 1.00 0.00 C ATOM 0 HA PRO A 43 0.697 14.116 -0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.032 16.838 0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.849 15.998 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.574 17.751 -1.406 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.690 17.539 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.846 16.335 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.441 15.784 -3.641 1.00 0.00 H new ATOM 652 N THR A 44 -2.078 15.408 0.462 1.00 0.00 N ATOM 653 CA THR A 44 -3.000 15.598 1.573 1.00 0.00 C ATOM 654 C THR A 44 -3.068 14.340 2.434 1.00 0.00 C ATOM 655 O THR A 44 -3.350 13.251 1.938 1.00 0.00 O ATOM 656 CB THR A 44 -4.400 15.951 1.043 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.384 15.484 1.956 1.00 0.00 O ATOM 658 CG2 THR A 44 -4.627 15.299 -0.325 1.00 0.00 C ATOM 0 H THR A 44 -2.501 15.501 -0.461 1.00 0.00 H new ATOM 0 HA THR A 44 -2.635 16.420 2.189 1.00 0.00 H new ATOM 0 HB THR A 44 -4.477 17.033 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.260 15.845 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.621 15.556 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.877 15.660 -1.029 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.544 14.216 -0.230 1.00 0.00 H new ATOM 666 N GLU A 45 -2.818 14.510 3.733 1.00 0.00 N ATOM 667 CA GLU A 45 -2.858 13.395 4.677 1.00 0.00 C ATOM 668 C GLU A 45 -4.291 13.100 5.106 1.00 0.00 C ATOM 669 O GLU A 45 -4.697 11.941 5.170 1.00 0.00 O ATOM 670 CB GLU A 45 -1.995 13.721 5.899 1.00 0.00 C ATOM 671 CG GLU A 45 -2.137 12.615 6.945 1.00 0.00 C ATOM 672 CD GLU A 45 -1.134 12.825 8.076 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.184 13.563 7.871 1.00 0.00 O ATOM 674 OE2 GLU A 45 -1.326 12.239 9.127 1.00 0.00 O ATOM 0 H GLU A 45 -2.586 15.409 4.154 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.462 12.507 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.951 13.821 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.298 14.678 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.151 12.611 7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.974 11.642 6.481 1.00 0.00 H new ATOM 681 N ALA A 46 -5.041 14.157 5.414 1.00 0.00 N ATOM 682 CA ALA A 46 -6.430 14.004 5.860 1.00 0.00 C ATOM 683 C ALA A 46 -7.101 12.892 5.052 1.00 0.00 C ATOM 684 O ALA A 46 -7.755 12.000 5.603 1.00 0.00 O ATOM 685 CB ALA A 46 -7.173 15.323 5.642 1.00 0.00 C ATOM 0 H ALA A 46 -4.716 15.123 5.364 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.454 13.744 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.207 15.217 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.688 16.113 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.154 15.580 4.583 1.00 0.00 H new ATOM 691 N GLU A 47 -6.893 12.929 3.744 1.00 0.00 N ATOM 692 CA GLU A 47 -7.438 11.907 2.862 1.00 0.00 C ATOM 693 C GLU A 47 -6.917 10.522 3.268 1.00 0.00 C ATOM 694 O GLU A 47 -7.697 9.605 3.519 1.00 0.00 O ATOM 695 CB GLU A 47 -7.026 12.211 1.414 1.00 0.00 C ATOM 696 CG GLU A 47 -7.917 13.323 0.841 1.00 0.00 C ATOM 697 CD GLU A 47 -7.534 13.622 -0.606 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.662 12.945 -1.122 1.00 0.00 O ATOM 699 OE2 GLU A 47 -8.122 14.529 -1.176 1.00 0.00 O ATOM 0 H GLU A 47 -6.353 13.653 3.271 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.525 11.910 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.980 12.517 1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.115 11.312 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.963 13.021 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.816 14.225 1.444 1.00 0.00 H new ATOM 706 N LEU A 48 -5.598 10.392 3.339 1.00 0.00 N ATOM 707 CA LEU A 48 -4.983 9.117 3.715 1.00 0.00 C ATOM 708 C LEU A 48 -5.565 8.642 5.046 1.00 0.00 C ATOM 709 O LEU A 48 -6.021 7.503 5.165 1.00 0.00 O ATOM 710 CB LEU A 48 -3.465 9.321 3.847 1.00 0.00 C ATOM 711 CG LEU A 48 -2.776 9.181 2.481 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.506 10.036 1.436 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.314 9.651 2.594 1.00 0.00 C ATOM 0 H LEU A 48 -4.936 11.143 3.144 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.186 8.364 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.261 10.307 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.054 8.590 4.543 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.804 8.136 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.011 9.931 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.540 9.703 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.485 11.082 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.824 9.552 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.291 10.695 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.791 9.039 3.329 1.00 0.00 H new ATOM 725 N GLN A 49 -5.559 9.522 6.039 1.00 0.00 N ATOM 726 CA GLN A 49 -6.100 9.181 7.350 1.00 0.00 C ATOM 727 C GLN A 49 -7.508 8.616 7.212 1.00 0.00 C ATOM 728 O GLN A 49 -7.945 7.804 8.028 1.00 0.00 O ATOM 729 CB GLN A 49 -6.130 10.432 8.238 1.00 0.00 C ATOM 730 CG GLN A 49 -4.733 10.712 8.793 1.00 0.00 C ATOM 731 CD GLN A 49 -4.675 12.116 9.389 1.00 0.00 C ATOM 732 OE1 GLN A 49 -5.367 13.020 8.917 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.885 12.356 10.401 1.00 0.00 N ATOM 0 H GLN A 49 -5.189 10.470 5.964 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.462 8.425 7.808 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.480 11.289 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.834 10.290 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.482 9.975 9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.992 10.615 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.313 11.607 10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.840 13.293 10.802 1.00 0.00 H new ATOM 742 N ASP A 50 -8.206 9.045 6.170 1.00 0.00 N ATOM 743 CA ASP A 50 -9.563 8.567 5.928 1.00 0.00 C ATOM 744 C ASP A 50 -9.548 7.174 5.294 1.00 0.00 C ATOM 745 O ASP A 50 -10.280 6.281 5.721 1.00 0.00 O ATOM 746 CB ASP A 50 -10.295 9.551 5.015 1.00 0.00 C ATOM 747 CG ASP A 50 -11.806 9.348 5.118 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.251 8.233 4.907 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.495 10.313 5.408 1.00 0.00 O ATOM 0 H ASP A 50 -7.861 9.716 5.484 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.084 8.498 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.039 10.574 5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.972 9.410 3.984 1.00 0.00 H new ATOM 754 N MET A 51 -8.710 6.998 4.271 1.00 0.00 N ATOM 755 CA MET A 51 -8.614 5.709 3.587 1.00 0.00 C ATOM 756 C MET A 51 -8.065 4.641 4.524 1.00 0.00 C ATOM 757 O MET A 51 -8.586 3.528 4.580 1.00 0.00 O ATOM 758 CB MET A 51 -7.698 5.836 2.366 1.00 0.00 C ATOM 759 CG MET A 51 -8.333 6.786 1.349 1.00 0.00 C ATOM 760 SD MET A 51 -7.188 7.053 -0.028 1.00 0.00 S ATOM 761 CE MET A 51 -8.088 8.412 -0.814 1.00 0.00 C ATOM 0 H MET A 51 -8.095 7.723 3.902 1.00 0.00 H new ATOM 0 HA MET A 51 -9.613 5.414 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.720 6.211 2.669 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.538 4.857 1.915 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.270 6.368 0.981 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.574 7.737 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.483 8.833 -1.617 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.026 8.038 -1.225 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.298 9.185 -0.075 1.00 0.00 H new ATOM 771 N ILE A 52 -7.015 4.987 5.266 1.00 0.00 N ATOM 772 CA ILE A 52 -6.416 4.043 6.199 1.00 0.00 C ATOM 773 C ILE A 52 -7.421 3.693 7.296 1.00 0.00 C ATOM 774 O ILE A 52 -7.568 2.530 7.672 1.00 0.00 O ATOM 775 CB ILE A 52 -5.130 4.642 6.811 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.071 4.788 5.698 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.585 3.717 7.925 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.682 5.024 6.302 1.00 0.00 C ATOM 0 H ILE A 52 -6.568 5.903 5.239 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.149 3.131 5.665 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.355 5.616 7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.057 3.889 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.335 5.619 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.679 4.151 8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.335 3.610 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.356 2.737 7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.949 5.124 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.695 5.936 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.413 4.179 6.936 1.00 0.00 H new ATOM 790 N ASN A 53 -8.109 4.710 7.800 1.00 0.00 N ATOM 791 CA ASN A 53 -9.096 4.510 8.853 1.00 0.00 C ATOM 792 C ASN A 53 -10.229 3.603 8.378 1.00 0.00 C ATOM 793 O ASN A 53 -10.723 2.766 9.134 1.00 0.00 O ATOM 794 CB ASN A 53 -9.661 5.865 9.286 1.00 0.00 C ATOM 795 CG ASN A 53 -10.771 5.675 10.314 1.00 0.00 C ATOM 796 OD1 ASN A 53 -10.767 4.700 11.064 1.00 0.00 O ATOM 797 ND2 ASN A 53 -11.730 6.560 10.392 1.00 0.00 N ATOM 0 H ASN A 53 -8.002 5.678 7.498 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.607 4.027 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.866 6.479 9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.048 6.399 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.478 6.443 11.076 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.731 7.367 9.769 1.00 0.00 H new ATOM 804 N GLU A 54 -10.643 3.783 7.127 1.00 0.00 N ATOM 805 CA GLU A 54 -11.726 2.979 6.568 1.00 0.00 C ATOM 806 C GLU A 54 -11.313 1.510 6.435 1.00 0.00 C ATOM 807 O GLU A 54 -12.116 0.612 6.686 1.00 0.00 O ATOM 808 CB GLU A 54 -12.122 3.525 5.190 1.00 0.00 C ATOM 809 CG GLU A 54 -13.396 2.829 4.686 1.00 0.00 C ATOM 810 CD GLU A 54 -14.607 3.294 5.491 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.448 4.194 6.296 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.675 2.746 5.283 1.00 0.00 O ATOM 0 H GLU A 54 -10.249 4.472 6.486 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.576 3.038 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.287 4.601 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.309 3.367 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.546 3.051 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.287 1.748 4.772 1.00 0.00 H new ATOM 819 N VAL A 55 -10.062 1.265 6.026 1.00 0.00 N ATOM 820 CA VAL A 55 -9.572 -0.111 5.847 1.00 0.00 C ATOM 821 C VAL A 55 -8.629 -0.535 6.977 1.00 0.00 C ATOM 822 O VAL A 55 -7.763 -1.388 6.782 1.00 0.00 O ATOM 823 CB VAL A 55 -8.846 -0.232 4.498 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.713 0.382 3.396 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.499 0.501 4.554 1.00 0.00 C ATOM 0 H VAL A 55 -9.377 1.990 5.815 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.437 -0.774 5.868 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.669 -1.286 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.199 0.297 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.665 -0.147 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.893 1.434 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.994 0.408 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.667 1.555 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.878 0.061 5.334 1.00 0.00 H new ATOM 835 N ASP A 56 -8.800 0.057 8.157 1.00 0.00 N ATOM 836 CA ASP A 56 -7.947 -0.281 9.300 1.00 0.00 C ATOM 837 C ASP A 56 -8.346 -1.634 9.893 1.00 0.00 C ATOM 838 O ASP A 56 -8.656 -2.572 9.157 1.00 0.00 O ATOM 839 CB ASP A 56 -8.044 0.805 10.374 1.00 0.00 C ATOM 840 CG ASP A 56 -6.901 0.660 11.373 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.252 -0.370 11.358 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.691 1.582 12.139 1.00 0.00 O ATOM 0 H ASP A 56 -9.510 0.764 8.348 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.917 -0.345 8.948 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.008 1.790 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.001 0.731 10.891 1.00 0.00 H new ATOM 847 N ALA A 57 -8.329 -1.735 11.225 1.00 0.00 N ATOM 848 CA ALA A 57 -8.685 -2.985 11.891 1.00 0.00 C ATOM 849 C ALA A 57 -8.857 -2.781 13.400 1.00 0.00 C ATOM 850 O ALA A 57 -9.977 -2.797 13.910 1.00 0.00 O ATOM 851 CB ALA A 57 -7.604 -4.035 11.631 1.00 0.00 C ATOM 0 H ALA A 57 -8.075 -0.974 11.855 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.636 -3.328 11.484 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.874 -4.966 12.130 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.517 -4.210 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.650 -3.679 12.019 1.00 0.00 H new ATOM 857 N ASP A 58 -7.742 -2.600 14.111 1.00 0.00 N ATOM 858 CA ASP A 58 -7.787 -2.408 15.564 1.00 0.00 C ATOM 859 C ASP A 58 -8.029 -0.943 15.927 1.00 0.00 C ATOM 860 O ASP A 58 -8.120 -0.594 17.105 1.00 0.00 O ATOM 861 CB ASP A 58 -6.468 -2.869 16.191 1.00 0.00 C ATOM 862 CG ASP A 58 -6.624 -3.016 17.702 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.725 -3.297 18.142 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.640 -2.840 18.402 1.00 0.00 O ATOM 0 H ASP A 58 -6.804 -2.582 13.710 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.615 -3.002 15.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.163 -3.821 15.756 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.680 -2.150 15.968 1.00 0.00 H new ATOM 869 N GLY A 59 -8.115 -0.085 14.912 1.00 0.00 N ATOM 870 CA GLY A 59 -8.323 1.343 15.143 1.00 0.00 C ATOM 871 C GLY A 59 -7.000 2.019 15.488 1.00 0.00 C ATOM 872 O GLY A 59 -6.967 3.164 15.946 1.00 0.00 O ATOM 0 H GLY A 59 -8.045 -0.351 13.930 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.754 1.804 14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.036 1.487 15.955 1.00 0.00 H new ATOM 876 N ASN A 60 -5.909 1.288 15.267 1.00 0.00 N ATOM 877 CA ASN A 60 -4.570 1.782 15.549 1.00 0.00 C ATOM 878 C ASN A 60 -4.173 2.844 14.536 1.00 0.00 C ATOM 879 O ASN A 60 -3.267 3.644 14.775 1.00 0.00 O ATOM 880 CB ASN A 60 -3.588 0.607 15.494 1.00 0.00 C ATOM 881 CG ASN A 60 -2.183 1.059 15.875 1.00 0.00 C ATOM 882 OD1 ASN A 60 -1.354 1.312 15.000 1.00 0.00 O ATOM 883 ND2 ASN A 60 -1.859 1.165 17.136 1.00 0.00 N ATOM 0 H ASN A 60 -5.932 0.341 14.889 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.550 2.234 16.541 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.918 -0.181 16.171 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.579 0.181 14.491 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.918 1.458 17.398 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.547 0.955 17.859 1.00 0.00 H new ATOM 890 N GLY A 61 -4.858 2.839 13.397 1.00 0.00 N ATOM 891 CA GLY A 61 -4.576 3.802 12.342 1.00 0.00 C ATOM 892 C GLY A 61 -3.413 3.331 11.474 1.00 0.00 C ATOM 893 O GLY A 61 -2.817 4.116 10.737 1.00 0.00 O ATOM 0 H GLY A 61 -5.608 2.182 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.463 3.941 11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.338 4.771 12.782 1.00 0.00 H new ATOM 897 N THR A 62 -3.093 2.037 11.566 1.00 0.00 N ATOM 898 CA THR A 62 -1.993 1.465 10.789 1.00 0.00 C ATOM 899 C THR A 62 -2.439 0.194 10.075 1.00 0.00 C ATOM 900 O THR A 62 -3.394 -0.463 10.493 1.00 0.00 O ATOM 901 CB THR A 62 -0.824 1.140 11.718 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.203 0.103 12.612 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.440 2.386 12.516 1.00 0.00 C ATOM 0 H THR A 62 -3.577 1.370 12.167 1.00 0.00 H new ATOM 0 HA THR A 62 -1.682 2.195 10.042 1.00 0.00 H new ATOM 0 HB THR A 62 0.030 0.814 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.218 0.450 13.528 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.394 2.152 13.178 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.147 3.181 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.293 2.715 13.110 1.00 0.00 H new ATOM 911 N ILE A 63 -1.732 -0.149 8.993 1.00 0.00 N ATOM 912 CA ILE A 63 -2.054 -1.349 8.218 1.00 0.00 C ATOM 913 C ILE A 63 -1.049 -2.455 8.520 1.00 0.00 C ATOM 914 O ILE A 63 0.157 -2.289 8.315 1.00 0.00 O ATOM 915 CB ILE A 63 -2.024 -1.038 6.716 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.856 0.217 6.426 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.593 -2.220 5.931 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.244 0.083 7.054 1.00 0.00 C ATOM 0 H ILE A 63 -0.939 0.384 8.637 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.054 -1.679 8.498 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.992 -0.864 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.352 1.097 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.948 0.362 5.350 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.569 -1.994 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.994 -3.109 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.622 -2.401 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.827 0.979 6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.750 -0.787 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.145 -0.039 8.133 1.00 0.00 H new ATOM 930 N ASP A 64 -1.558 -3.573 9.034 1.00 0.00 N ATOM 931 CA ASP A 64 -0.712 -4.707 9.391 1.00 0.00 C ATOM 932 C ASP A 64 -0.430 -5.593 8.178 1.00 0.00 C ATOM 933 O ASP A 64 -0.928 -5.348 7.081 1.00 0.00 O ATOM 934 CB ASP A 64 -1.391 -5.531 10.487 1.00 0.00 C ATOM 935 CG ASP A 64 -1.369 -4.762 11.806 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.620 -3.806 11.902 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.102 -5.140 12.702 1.00 0.00 O ATOM 0 H ASP A 64 -2.552 -3.717 9.212 1.00 0.00 H new ATOM 0 HA ASP A 64 0.239 -4.320 9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.420 -5.753 10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.880 -6.487 10.605 1.00 0.00 H new ATOM 942 N PHE A 65 0.388 -6.618 8.396 1.00 0.00 N ATOM 943 CA PHE A 65 0.771 -7.553 7.340 1.00 0.00 C ATOM 944 C PHE A 65 -0.452 -8.098 6.574 1.00 0.00 C ATOM 945 O PHE A 65 -0.601 -7.842 5.374 1.00 0.00 O ATOM 946 CB PHE A 65 1.566 -8.725 7.968 1.00 0.00 C ATOM 947 CG PHE A 65 3.056 -8.507 7.837 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.617 -7.305 8.268 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.869 -9.514 7.300 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.995 -7.104 8.159 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.245 -9.314 7.190 1.00 0.00 C ATOM 952 CZ PHE A 65 5.810 -8.108 7.620 1.00 0.00 C ATOM 0 H PHE A 65 0.803 -6.825 9.305 1.00 0.00 H new ATOM 0 HA PHE A 65 1.389 -7.017 6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.302 -8.824 9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.288 -9.659 7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.988 -6.532 8.685 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.430 -10.445 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.433 -6.174 8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.873 -10.088 6.774 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.875 -7.951 7.536 1.00 0.00 H new ATOM 962 N PRO A 66 -1.294 -8.869 7.223 1.00 0.00 N ATOM 963 CA PRO A 66 -2.484 -9.494 6.562 1.00 0.00 C ATOM 964 C PRO A 66 -3.421 -8.472 5.919 1.00 0.00 C ATOM 965 O PRO A 66 -3.915 -8.677 4.809 1.00 0.00 O ATOM 966 CB PRO A 66 -3.190 -10.253 7.711 1.00 0.00 C ATOM 967 CG PRO A 66 -2.642 -9.667 8.975 1.00 0.00 C ATOM 968 CD PRO A 66 -1.220 -9.228 8.650 1.00 0.00 C ATOM 0 HA PRO A 66 -2.186 -10.139 5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.271 -10.128 7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.990 -11.323 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.245 -8.822 9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.650 -10.401 9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.911 -8.381 9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.502 -10.028 8.827 1.00 0.00 H new ATOM 976 N GLU A 67 -3.672 -7.390 6.632 1.00 0.00 N ATOM 977 CA GLU A 67 -4.573 -6.358 6.140 1.00 0.00 C ATOM 978 C GLU A 67 -4.195 -5.945 4.727 1.00 0.00 C ATOM 979 O GLU A 67 -5.030 -5.955 3.822 1.00 0.00 O ATOM 980 CB GLU A 67 -4.505 -5.140 7.058 1.00 0.00 C ATOM 981 CG GLU A 67 -5.009 -5.526 8.447 1.00 0.00 C ATOM 982 CD GLU A 67 -4.942 -4.320 9.375 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.747 -3.227 8.876 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.076 -4.509 10.572 1.00 0.00 O ATOM 0 H GLU A 67 -3.268 -7.201 7.549 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.587 -6.759 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.480 -4.773 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.110 -4.330 6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.034 -5.891 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.406 -6.340 8.849 1.00 0.00 H new ATOM 991 N PHE A 68 -2.930 -5.587 4.547 1.00 0.00 N ATOM 992 CA PHE A 68 -2.452 -5.175 3.242 1.00 0.00 C ATOM 993 C PHE A 68 -2.602 -6.313 2.251 1.00 0.00 C ATOM 994 O PHE A 68 -3.066 -6.130 1.128 1.00 0.00 O ATOM 995 CB PHE A 68 -0.986 -4.762 3.324 1.00 0.00 C ATOM 996 CG PHE A 68 -0.576 -4.092 2.030 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.321 -4.862 0.887 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.442 -2.698 1.977 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.068 -4.240 -0.304 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.053 -2.076 0.782 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.202 -2.849 -0.358 1.00 0.00 C ATOM 0 H PHE A 68 -2.225 -5.575 5.284 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.045 -4.324 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.835 -4.081 4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.361 -5.636 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.425 -5.936 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.638 -2.103 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.265 -4.835 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.050 -1.002 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.502 -2.371 -1.279 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.206 -7.498 2.680 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.292 -8.660 1.814 1.00 0.00 C ATOM 1013 C LEU A 69 -3.720 -8.828 1.300 1.00 0.00 C ATOM 1014 O LEU A 69 -3.936 -9.246 0.169 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.843 -9.916 2.589 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.025 -11.208 1.758 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -3.514 -11.653 1.681 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -1.433 -11.001 0.350 1.00 0.00 C ATOM 0 H LEU A 69 -1.827 -7.680 3.609 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.634 -8.521 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.795 -9.812 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.416 -9.996 3.513 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.489 -12.013 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.591 -12.564 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.890 -11.842 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.106 -10.865 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.561 -11.911 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.948 -10.176 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.371 -10.769 0.432 1.00 0.00 H new ATOM 1030 N THR A 70 -4.707 -8.517 2.125 1.00 0.00 N ATOM 1031 CA THR A 70 -6.095 -8.677 1.713 1.00 0.00 C ATOM 1032 C THR A 70 -6.606 -7.491 0.900 1.00 0.00 C ATOM 1033 O THR A 70 -6.936 -7.631 -0.277 1.00 0.00 O ATOM 1034 CB THR A 70 -6.953 -8.852 2.957 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.470 -9.959 3.705 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.404 -9.097 2.557 1.00 0.00 C ATOM 0 H THR A 70 -4.578 -8.157 3.071 1.00 0.00 H new ATOM 0 HA THR A 70 -6.156 -9.554 1.068 1.00 0.00 H new ATOM 0 HB THR A 70 -6.901 -7.948 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.626 -9.717 4.140 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.012 -9.221 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.772 -8.246 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.466 -9.999 1.948 1.00 0.00 H new ATOM 1044 N MET A 71 -6.697 -6.336 1.536 1.00 0.00 N ATOM 1045 CA MET A 71 -7.202 -5.146 0.859 1.00 0.00 C ATOM 1046 C MET A 71 -6.574 -4.970 -0.521 1.00 0.00 C ATOM 1047 O MET A 71 -7.117 -4.257 -1.364 1.00 0.00 O ATOM 1048 CB MET A 71 -6.965 -3.887 1.724 1.00 0.00 C ATOM 1049 CG MET A 71 -5.563 -3.292 1.488 1.00 0.00 C ATOM 1050 SD MET A 71 -5.401 -1.738 2.400 1.00 0.00 S ATOM 1051 CE MET A 71 -5.568 -2.424 4.058 1.00 0.00 C ATOM 0 H MET A 71 -6.432 -6.193 2.510 1.00 0.00 H new ATOM 0 HA MET A 71 -8.274 -5.281 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.722 -3.138 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.080 -4.142 2.778 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.798 -3.997 1.813 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.405 -3.119 0.424 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.187 -1.709 4.788 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.619 -2.627 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.999 -3.351 4.127 1.00 0.00 H new ATOM 1061 N MET A 72 -5.427 -5.607 -0.755 1.00 0.00 N ATOM 1062 CA MET A 72 -4.757 -5.483 -2.049 1.00 0.00 C ATOM 1063 C MET A 72 -5.315 -6.497 -3.053 1.00 0.00 C ATOM 1064 O MET A 72 -5.238 -6.293 -4.265 1.00 0.00 O ATOM 1065 CB MET A 72 -3.243 -5.669 -1.872 1.00 0.00 C ATOM 1066 CG MET A 72 -2.881 -7.160 -1.797 1.00 0.00 C ATOM 1067 SD MET A 72 -2.432 -7.764 -3.444 1.00 0.00 S ATOM 1068 CE MET A 72 -0.666 -7.392 -3.345 1.00 0.00 C ATOM 0 H MET A 72 -4.949 -6.204 -0.079 1.00 0.00 H new ATOM 0 HA MET A 72 -4.945 -4.485 -2.445 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.715 -5.204 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.914 -5.164 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.051 -7.308 -1.106 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.725 -7.730 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.292 -7.137 -4.337 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.509 -6.550 -2.670 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.131 -8.264 -2.968 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.871 -7.590 -2.532 1.00 0.00 N ATOM 1079 CA ALA A 73 -6.439 -8.646 -3.372 1.00 0.00 C ATOM 1080 C ALA A 73 -7.911 -8.380 -3.689 1.00 0.00 C ATOM 1081 O ALA A 73 -8.698 -9.314 -3.852 1.00 0.00 O ATOM 1082 CB ALA A 73 -6.321 -9.986 -2.651 1.00 0.00 C ATOM 0 H ALA A 73 -5.941 -7.768 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.883 -8.665 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.744 -10.773 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.271 -10.202 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.864 -9.940 -1.707 1.00 0.00 H new ATOM 1088 N ARG A 74 -8.277 -7.104 -3.775 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.660 -6.720 -4.078 1.00 0.00 C ATOM 1090 C ARG A 74 -9.817 -6.405 -5.567 1.00 0.00 C ATOM 1091 O ARG A 74 -10.892 -6.011 -6.021 1.00 0.00 O ATOM 1092 CB ARG A 74 -10.046 -5.505 -3.233 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.173 -5.930 -1.766 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.413 -4.698 -0.895 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.652 -4.029 -1.281 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.832 -4.415 -0.792 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.898 -5.418 0.044 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.922 -3.789 -1.147 1.00 0.00 N ATOM 0 H ARG A 74 -7.641 -6.318 -3.640 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.322 -7.552 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.293 -4.723 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.989 -5.087 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.996 -6.635 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.266 -6.443 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.463 -4.992 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.575 -4.008 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.615 -3.250 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.047 -5.906 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.800 -5.712 0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.871 -3.005 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.824 -4.084 -0.773 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.733 -6.592 -6.316 1.00 0.00 N ATOM 1113 CA LYS A 75 -8.738 -6.334 -7.762 1.00 0.00 C ATOM 1114 C LYS A 75 -10.007 -6.892 -8.406 1.00 0.00 C ATOM 1115 O LYS A 75 -10.601 -6.257 -9.278 1.00 0.00 O ATOM 1116 CB LYS A 75 -7.503 -6.983 -8.408 1.00 0.00 C ATOM 1117 CG LYS A 75 -7.442 -6.627 -9.899 1.00 0.00 C ATOM 1118 CD LYS A 75 -6.186 -7.243 -10.528 1.00 0.00 C ATOM 1119 CE LYS A 75 -6.125 -6.874 -12.013 1.00 0.00 C ATOM 1120 NZ LYS A 75 -6.008 -5.396 -12.154 1.00 0.00 N ATOM 0 H LYS A 75 -7.839 -6.921 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.712 -5.256 -7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.598 -6.640 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.545 -8.065 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.333 -6.996 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.429 -5.544 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.295 -6.881 -10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.202 -8.327 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.273 -7.363 -12.485 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.020 -7.229 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.665 -5.164 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.940 -4.958 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.337 -5.032 -11.447 1.00 0.00 H new ATOM 1134 N MET A 76 -10.421 -8.075 -7.964 1.00 0.00 N ATOM 1135 CA MET A 76 -11.627 -8.705 -8.495 1.00 0.00 C ATOM 1136 C MET A 76 -11.443 -9.043 -9.975 1.00 0.00 C ATOM 1137 O MET A 76 -11.874 -8.300 -10.859 1.00 0.00 O ATOM 1138 CB MET A 76 -12.826 -7.760 -8.304 1.00 0.00 C ATOM 1139 CG MET A 76 -14.139 -8.557 -8.274 1.00 0.00 C ATOM 1140 SD MET A 76 -14.302 -9.399 -6.673 1.00 0.00 S ATOM 1141 CE MET A 76 -15.609 -8.357 -5.969 1.00 0.00 C ATOM 0 H MET A 76 -9.943 -8.615 -7.243 1.00 0.00 H new ATOM 0 HA MET A 76 -11.815 -9.633 -7.955 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.712 -7.201 -7.375 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.855 -7.031 -9.114 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.986 -7.889 -8.433 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.152 -9.287 -9.083 1.00 0.00 H new ATOM 0 HE1 MET A 76 -15.859 -8.713 -4.970 1.00 0.00 H new ATOM 0 HE2 MET A 76 -15.260 -7.326 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 76 -16.494 -8.405 -6.603 1.00 0.00 H new ATOM 1151 N LYS A 77 -10.794 -10.180 -10.224 1.00 0.00 N ATOM 1152 CA LYS A 77 -10.542 -10.641 -11.586 1.00 0.00 C ATOM 1153 C LYS A 77 -11.857 -10.775 -12.345 1.00 0.00 C ATOM 1154 O LYS A 77 -12.852 -11.083 -11.713 1.00 0.00 O ATOM 1155 CB LYS A 77 -9.819 -11.996 -11.539 1.00 0.00 C ATOM 1156 CG LYS A 77 -9.418 -12.434 -12.952 1.00 0.00 C ATOM 1157 CD LYS A 77 -8.648 -13.763 -12.882 1.00 0.00 C ATOM 1158 CE LYS A 77 -8.229 -14.202 -14.292 1.00 0.00 C ATOM 1159 NZ LYS A 77 -7.449 -15.473 -14.212 1.00 0.00 N ATOM 1160 OXT LYS A 77 -11.852 -10.565 -13.546 1.00 0.00 O ATOM 0 H LYS A 77 -10.433 -10.799 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.915 -9.915 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.933 -11.921 -10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.468 -12.747 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.306 -12.549 -13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.799 -11.668 -13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.767 -13.649 -12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.272 -14.530 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.111 -14.344 -14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.628 -13.424 -14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.167 -15.768 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.600 -15.323 -13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.037 -16.215 -13.781 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -13.792 3.198 -9.966 1.00 0.00 N ATOM 1176 CA GLY B 45 -12.869 3.723 -8.920 1.00 0.00 C ATOM 1177 C GLY B 45 -13.653 4.021 -7.643 1.00 0.00 C ATOM 1178 O GLY B 45 -14.343 5.037 -7.554 1.00 0.00 O ATOM 0 HA2 GLY B 45 -12.085 2.995 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -12.378 4.629 -9.276 1.00 0.00 H new ATOM 1184 N THR B 46 -13.540 3.135 -6.656 1.00 0.00 N ATOM 1185 CA THR B 46 -14.240 3.327 -5.388 1.00 0.00 C ATOM 1186 C THR B 46 -13.621 4.485 -4.613 1.00 0.00 C ATOM 1187 O THR B 46 -14.314 5.202 -3.887 1.00 0.00 O ATOM 1188 CB THR B 46 -14.181 2.052 -4.534 1.00 0.00 C ATOM 1189 OG1 THR B 46 -12.826 1.682 -4.323 1.00 0.00 O ATOM 1190 CG2 THR B 46 -14.916 0.910 -5.240 1.00 0.00 C ATOM 0 H THR B 46 -12.977 2.286 -6.708 1.00 0.00 H new ATOM 0 HA THR B 46 -15.283 3.555 -5.610 1.00 0.00 H new ATOM 0 HB THR B 46 -14.661 2.247 -3.575 1.00 0.00 H new ATOM 0 HG1 THR B 46 -12.790 0.869 -3.777 1.00 0.00 H new ATOM 0 HG21 THR B 46 -14.868 0.011 -4.625 1.00 0.00 H new ATOM 0 HG22 THR B 46 -15.958 1.189 -5.394 1.00 0.00 H new ATOM 0 HG23 THR B 46 -14.446 0.716 -6.204 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.304 4.657 -4.762 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.577 5.726 -4.069 1.00 0.00 C ATOM 1200 C GLY B 47 -10.357 5.170 -3.335 1.00 0.00 C ATOM 1201 O GLY B 47 -9.218 5.354 -3.767 1.00 0.00 O ATOM 0 H GLY B 47 -11.719 4.070 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.260 6.481 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -12.240 6.220 -3.359 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.615 4.502 -2.216 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.552 3.926 -1.396 1.00 0.00 C ATOM 1207 C ALA B 48 -8.726 2.888 -2.166 1.00 0.00 C ATOM 1208 O ALA B 48 -7.495 2.879 -2.081 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.180 3.274 -0.161 1.00 0.00 C ATOM 0 H ALA B 48 -11.555 4.345 -1.854 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.873 4.728 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.396 2.840 0.460 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.722 4.027 0.412 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.870 2.491 -0.474 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.399 2.016 -2.913 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.708 0.979 -3.682 1.00 0.00 C ATOM 1217 C ALA B 49 -7.823 1.596 -4.759 1.00 0.00 C ATOM 1218 O ALA B 49 -6.713 1.126 -5.015 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.734 0.049 -4.332 1.00 0.00 C ATOM 0 H ALA B 49 -10.415 2.005 -3.003 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.076 0.411 -3.000 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.216 -0.721 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.342 -0.420 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.376 0.625 -4.998 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.322 2.652 -5.387 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.577 3.333 -6.435 1.00 0.00 C ATOM 1227 C LEU B 50 -6.296 3.937 -5.871 1.00 0.00 C ATOM 1228 O LEU B 50 -5.231 3.849 -6.483 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.450 4.435 -7.040 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.708 5.149 -8.204 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -8.687 5.429 -9.353 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.125 6.488 -7.722 1.00 0.00 C ATOM 0 H LEU B 50 -9.238 3.055 -5.189 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.308 2.613 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.383 4.006 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.713 5.161 -6.270 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.903 4.500 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.161 5.930 -10.166 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -9.102 4.488 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.494 6.068 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.608 6.978 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.932 7.130 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -6.422 6.307 -6.909 1.00 0.00 H new ATOM 1244 N SER B 51 -6.414 4.545 -4.695 1.00 0.00 N ATOM 1245 CA SER B 51 -5.267 5.158 -4.040 1.00 0.00 C ATOM 1246 C SER B 51 -4.193 4.115 -3.764 1.00 0.00 C ATOM 1247 O SER B 51 -3.007 4.339 -4.015 1.00 0.00 O ATOM 1248 CB SER B 51 -5.716 5.782 -2.719 1.00 0.00 C ATOM 1249 OG SER B 51 -6.628 6.838 -2.987 1.00 0.00 O ATOM 0 H SER B 51 -7.290 4.626 -4.178 1.00 0.00 H new ATOM 0 HA SER B 51 -4.854 5.925 -4.695 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.189 5.028 -2.089 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.854 6.161 -2.170 1.00 0.00 H new ATOM 0 HG SER B 51 -7.495 6.463 -3.249 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.625 2.971 -3.253 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.710 1.883 -2.947 1.00 0.00 C ATOM 1257 C TRP B 52 -3.100 1.322 -4.232 1.00 0.00 C ATOM 1258 O TRP B 52 -1.889 1.114 -4.313 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.465 0.778 -2.192 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.573 1.120 -0.735 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.732 1.321 -0.064 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.501 1.300 0.240 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.440 1.605 1.259 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.080 1.604 1.495 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.099 1.228 0.156 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.295 1.825 2.629 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.305 1.450 1.294 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -1.901 1.747 2.530 1.00 0.00 C ATOM 0 H TRP B 52 -5.603 2.773 -3.042 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.902 2.261 -2.321 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.461 0.653 -2.618 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.946 -0.173 -2.311 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.722 1.268 -0.491 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.144 1.792 1.973 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.629 1.001 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.761 2.055 3.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.229 1.392 1.217 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.286 1.915 3.402 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.943 1.075 -5.228 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.471 0.525 -6.496 1.00 0.00 C ATOM 1281 C GLN B 53 -2.484 1.474 -7.181 1.00 0.00 C ATOM 1282 O GLN B 53 -1.473 1.033 -7.731 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.665 0.264 -7.425 1.00 0.00 C ATOM 1284 CG GLN B 53 -4.201 -0.447 -8.701 1.00 0.00 C ATOM 1285 CD GLN B 53 -3.651 -1.828 -8.360 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -3.979 -2.386 -7.312 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -2.828 -2.416 -9.186 1.00 0.00 N ATOM 0 H GLN B 53 -4.948 1.244 -5.185 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.954 -0.412 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.408 -0.345 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.148 1.207 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -5.034 -0.540 -9.398 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.434 0.146 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.558 -1.952 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.455 -3.339 -8.964 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.782 2.769 -7.157 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.910 3.755 -7.794 1.00 0.00 C ATOM 1298 C ALA B 54 -0.554 3.827 -7.094 1.00 0.00 C ATOM 1299 O ALA B 54 0.485 3.941 -7.746 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.575 5.133 -7.764 1.00 0.00 C ATOM 0 H ALA B 54 -3.611 3.159 -6.709 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.748 3.446 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.921 5.863 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.523 5.091 -8.300 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.756 5.427 -6.730 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.568 3.763 -5.765 1.00 0.00 N ATOM 1307 CA ALA B 55 0.669 3.825 -4.990 1.00 0.00 C ATOM 1308 C ALA B 55 1.543 2.604 -5.264 1.00 0.00 C ATOM 1309 O ALA B 55 2.763 2.716 -5.391 1.00 0.00 O ATOM 1310 CB ALA B 55 0.338 3.900 -3.500 1.00 0.00 C ATOM 0 H ALA B 55 -1.415 3.669 -5.205 1.00 0.00 H new ATOM 0 HA ALA B 55 1.221 4.717 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.262 3.946 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.257 4.792 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.228 3.015 -3.208 1.00 0.00 H new ATOM 1316 N ILE B 56 0.909 1.438 -5.353 1.00 0.00 N ATOM 1317 CA ILE B 56 1.630 0.196 -5.614 1.00 0.00 C ATOM 1318 C ILE B 56 2.263 0.222 -7.006 1.00 0.00 C ATOM 1319 O ILE B 56 3.415 -0.173 -7.185 1.00 0.00 O ATOM 1320 CB ILE B 56 0.662 -0.990 -5.504 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.221 -1.150 -4.046 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.353 -2.276 -5.973 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.968 -2.111 -3.972 1.00 0.00 C ATOM 0 H ILE B 56 -0.100 1.327 -5.249 1.00 0.00 H new ATOM 0 HA ILE B 56 2.425 0.090 -4.876 1.00 0.00 H new ATOM 0 HB ILE B 56 -0.208 -0.803 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.047 -1.531 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.055 -0.181 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE B 56 0.659 -3.112 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE B 56 1.665 -2.163 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.227 -2.468 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.281 -2.224 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.795 -1.712 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.676 -3.083 -4.371 1.00 0.00 H new ATOM 1335 N ASP B 57 1.495 0.687 -7.985 1.00 0.00 N ATOM 1336 CA ASP B 57 1.977 0.758 -9.360 1.00 0.00 C ATOM 1337 C ASP B 57 3.174 1.701 -9.467 1.00 0.00 C ATOM 1338 O ASP B 57 4.195 1.357 -10.063 1.00 0.00 O ATOM 1339 CB ASP B 57 0.847 1.248 -10.268 1.00 0.00 C ATOM 1340 CG ASP B 57 -0.206 0.154 -10.423 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.096 -0.984 -10.104 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -1.302 0.469 -10.859 1.00 0.00 O ATOM 0 H ASP B 57 0.540 1.019 -7.853 1.00 0.00 H new ATOM 0 HA ASP B 57 2.296 -0.236 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.393 2.145 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.246 1.522 -11.245 1.00 0.00 H new ATOM 1347 N ALA B 58 3.042 2.885 -8.881 1.00 0.00 N ATOM 1348 CA ALA B 58 4.122 3.865 -8.911 1.00 0.00 C ATOM 1349 C ALA B 58 5.294 3.401 -8.046 1.00 0.00 C ATOM 1350 O ALA B 58 6.459 3.589 -8.405 1.00 0.00 O ATOM 1351 CB ALA B 58 3.608 5.220 -8.424 1.00 0.00 C ATOM 0 H ALA B 58 2.205 3.189 -8.383 1.00 0.00 H new ATOM 0 HA ALA B 58 4.474 3.966 -9.938 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.419 5.947 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.799 5.557 -9.072 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.239 5.123 -7.403 1.00 0.00 H new ATOM 1357 N ALA B 59 4.978 2.788 -6.906 1.00 0.00 N ATOM 1358 CA ALA B 59 6.013 2.297 -6.002 1.00 0.00 C ATOM 1359 C ALA B 59 6.898 1.281 -6.719 1.00 0.00 C ATOM 1360 O ALA B 59 8.130 1.387 -6.718 1.00 0.00 O ATOM 1361 CB ALA B 59 5.358 1.644 -4.778 1.00 0.00 C ATOM 0 H ALA B 59 4.023 2.621 -6.590 1.00 0.00 H new ATOM 0 HA ALA B 59 6.631 3.135 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.132 1.278 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA B 59 4.743 2.379 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA B 59 4.734 0.811 -5.101 1.00 0.00 H new ATOM 1367 N ARG B 60 6.257 0.303 -7.344 1.00 0.00 N ATOM 1368 CA ARG B 60 6.975 -0.726 -8.075 1.00 0.00 C ATOM 1369 C ARG B 60 7.693 -0.130 -9.281 1.00 0.00 C ATOM 1370 O ARG B 60 8.774 -0.584 -9.655 1.00 0.00 O ATOM 1371 CB ARG B 60 6.016 -1.822 -8.530 1.00 0.00 C ATOM 1372 CG ARG B 60 5.556 -2.641 -7.317 1.00 0.00 C ATOM 1373 CD ARG B 60 4.936 -3.944 -7.799 1.00 0.00 C ATOM 1374 NE ARG B 60 3.746 -3.648 -8.581 1.00 0.00 N ATOM 1375 CZ ARG B 60 3.051 -4.604 -9.190 1.00 0.00 C ATOM 1376 NH1 ARG B 60 3.461 -5.847 -9.159 1.00 0.00 N ATOM 1377 NH2 ARG B 60 1.961 -4.292 -9.834 1.00 0.00 N ATOM 0 H ARG B 60 5.242 0.202 -7.358 1.00 0.00 H new ATOM 0 HA ARG B 60 7.719 -1.161 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.155 -1.380 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.508 -2.471 -9.254 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.402 -2.848 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.831 -2.073 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG B 60 5.653 -4.500 -8.403 1.00 0.00 H new ATOM 0 HD3 ARG B 60 4.679 -4.575 -6.948 1.00 0.00 H new ATOM 0 HE ARG B 60 3.436 -2.680 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG B 60 4.320 -6.089 -8.665 1.00 0.00 H new ATOM 0 HH12 ARG B 60 2.921 -6.574 -9.629 1.00 0.00 H new ATOM 0 HH21 ARG B 60 1.648 -3.322 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG B 60 1.421 -5.018 -10.304 1.00 0.00 H new ATOM 1391 N GLN B 61 7.087 0.885 -9.889 1.00 0.00 N ATOM 1392 CA GLN B 61 7.689 1.525 -11.049 1.00 0.00 C ATOM 1393 C GLN B 61 9.087 2.024 -10.695 1.00 0.00 C ATOM 1394 O GLN B 61 10.041 1.816 -11.447 1.00 0.00 O ATOM 1395 CB GLN B 61 6.816 2.703 -11.501 1.00 0.00 C ATOM 1396 CG GLN B 61 7.378 3.312 -12.791 1.00 0.00 C ATOM 1397 CD GLN B 61 7.279 2.309 -13.935 1.00 0.00 C ATOM 1398 OE1 GLN B 61 6.282 1.598 -14.052 1.00 0.00 O ATOM 1399 NE2 GLN B 61 8.264 2.209 -14.788 1.00 0.00 N ATOM 0 H GLN B 61 6.190 1.277 -9.601 1.00 0.00 H new ATOM 0 HA GLN B 61 7.763 0.801 -11.861 1.00 0.00 H new ATOM 0 HB2 GLN B 61 5.793 2.365 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN B 61 6.780 3.460 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN B 61 6.827 4.218 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.418 3.602 -12.641 1.00 0.00 H new ATOM 0 HE21 GLN B 61 9.089 2.801 -14.687 1.00 0.00 H new ATOM 0 HE22 GLN B 61 8.208 1.539 -15.555 1.00 0.00 H new ATOM 1408 N ALA B 62 9.199 2.672 -9.538 1.00 0.00 N ATOM 1409 CA ALA B 62 10.487 3.184 -9.084 1.00 0.00 C ATOM 1410 C ALA B 62 11.436 2.031 -8.779 1.00 0.00 C ATOM 1411 O ALA B 62 12.622 2.086 -9.102 1.00 0.00 O ATOM 1412 CB ALA B 62 10.293 4.041 -7.833 1.00 0.00 C ATOM 0 H ALA B 62 8.421 2.853 -8.904 1.00 0.00 H new ATOM 0 HA ALA B 62 10.920 3.796 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.259 4.421 -7.499 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.634 4.878 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.848 3.436 -7.043 1.00 0.00 H new ATOM 1418 N LYS B 63 10.902 0.982 -8.158 1.00 0.00 N ATOM 1419 CA LYS B 63 11.711 -0.185 -7.822 1.00 0.00 C ATOM 1420 C LYS B 63 12.237 -0.859 -9.086 1.00 0.00 C ATOM 1421 O LYS B 63 13.406 -1.240 -9.156 1.00 0.00 O ATOM 1422 CB LYS B 63 10.870 -1.181 -7.017 1.00 0.00 C ATOM 1423 CG LYS B 63 11.637 -2.501 -6.832 1.00 0.00 C ATOM 1424 CD LYS B 63 11.074 -3.273 -5.635 1.00 0.00 C ATOM 1425 CE LYS B 63 9.638 -3.704 -5.929 1.00 0.00 C ATOM 1426 NZ LYS B 63 9.597 -4.440 -7.222 1.00 0.00 N ATOM 0 H LYS B 63 9.923 0.916 -7.880 1.00 0.00 H new ATOM 0 HA LYS B 63 12.562 0.142 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.624 -0.756 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS B 63 9.927 -1.369 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.558 -3.106 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.696 -2.297 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.692 -4.148 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.101 -2.648 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS B 63 9.265 -4.339 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.987 -2.831 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 8.758 -5.054 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 9.551 -3.760 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 10.454 -5.022 -7.318 1.00 0.00 H new ATOM 1440 N LEU B 64 11.365 -1.010 -10.076 1.00 0.00 N ATOM 1441 CA LEU B 64 11.753 -1.650 -11.326 1.00 0.00 C ATOM 1442 C LEU B 64 12.847 -0.852 -12.033 1.00 0.00 C ATOM 1443 O LEU B 64 13.829 -1.418 -12.511 1.00 0.00 O ATOM 1444 CB LEU B 64 10.526 -1.777 -12.242 1.00 0.00 C ATOM 1445 CG LEU B 64 10.921 -2.410 -13.588 1.00 0.00 C ATOM 1446 CD1 LEU B 64 11.556 -3.791 -13.355 1.00 0.00 C ATOM 1447 CD2 LEU B 64 9.670 -2.559 -14.463 1.00 0.00 C ATOM 0 H LEU B 64 10.394 -0.701 -10.038 1.00 0.00 H new ATOM 0 HA LEU B 64 12.146 -2.641 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU B 64 9.764 -2.387 -11.756 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.088 -0.793 -12.411 1.00 0.00 H new ATOM 0 HG LEU B 64 11.646 -1.768 -14.089 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.832 -4.231 -14.313 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.446 -3.682 -12.736 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.840 -4.440 -12.851 1.00 0.00 H new ATOM 0 HD21 LEU B 64 9.945 -3.007 -15.418 1.00 0.00 H new ATOM 0 HD22 LEU B 64 8.946 -3.198 -13.957 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.228 -1.578 -14.637 1.00 0.00 H new ATOM 1459 N MET B 65 12.664 0.464 -12.104 1.00 0.00 N ATOM 1460 CA MET B 65 13.638 1.326 -12.769 1.00 0.00 C ATOM 1461 C MET B 65 14.954 1.369 -11.995 1.00 0.00 C ATOM 1462 O MET B 65 16.032 1.391 -12.589 1.00 0.00 O ATOM 1463 CB MET B 65 13.065 2.739 -12.903 1.00 0.00 C ATOM 1464 CG MET B 65 11.862 2.722 -13.855 1.00 0.00 C ATOM 1465 SD MET B 65 12.400 2.312 -15.538 1.00 0.00 S ATOM 1466 CE MET B 65 12.974 3.961 -16.019 1.00 0.00 C ATOM 0 H MET B 65 11.859 0.953 -11.714 1.00 0.00 H new ATOM 0 HA MET B 65 13.841 0.917 -13.759 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.762 3.113 -11.925 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.830 3.418 -13.280 1.00 0.00 H new ATOM 0 HG2 MET B 65 11.128 1.993 -13.512 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.371 3.695 -13.849 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.260 4.407 -16.711 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.061 4.589 -15.132 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.947 3.881 -16.503 1.00 0.00 H new ATOM 1476 N GLY B 66 14.859 1.371 -10.668 1.00 0.00 N ATOM 1477 CA GLY B 66 16.049 1.399 -9.823 1.00 0.00 C ATOM 1478 C GLY B 66 16.667 2.796 -9.758 1.00 0.00 C ATOM 1479 O GLY B 66 17.669 3.006 -9.070 1.00 0.00 O ATOM 0 H GLY B 66 13.976 1.354 -10.157 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.788 1.070 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.785 0.694 -10.208 1.00 0.00 H new ATOM 1483 N SER B 67 16.067 3.749 -10.467 1.00 0.00 N ATOM 1484 CA SER B 67 16.573 5.122 -10.468 1.00 0.00 C ATOM 1485 C SER B 67 15.482 6.101 -10.888 1.00 0.00 C ATOM 1486 O SER B 67 14.570 5.748 -11.637 1.00 0.00 O ATOM 1487 CB SER B 67 17.765 5.247 -11.418 1.00 0.00 C ATOM 1488 OG SER B 67 18.213 6.597 -11.435 1.00 0.00 O ATOM 0 H SER B 67 15.238 3.600 -11.043 1.00 0.00 H new ATOM 0 HA SER B 67 16.892 5.365 -9.454 1.00 0.00 H new ATOM 0 HB2 SER B 67 18.572 4.588 -11.096 1.00 0.00 H new ATOM 0 HB3 SER B 67 17.479 4.934 -12.422 1.00 0.00 H new ATOM 0 HG SER B 67 18.978 6.680 -12.042 1.00 0.00 H new ATOM 1494 N ALA B 68 15.585 7.335 -10.401 1.00 0.00 N ATOM 1495 CA ALA B 68 14.606 8.369 -10.729 1.00 0.00 C ATOM 1496 C ALA B 68 14.975 9.064 -12.034 1.00 0.00 C ATOM 1497 O ALA B 68 16.099 9.529 -12.137 1.00 0.00 O ATOM 1498 CB ALA B 68 14.552 9.400 -9.598 1.00 0.00 C ATOM 1499 OXT ALA B 68 14.130 9.121 -12.912 1.00 0.00 O ATOM 0 H ALA B 68 16.333 7.643 -9.780 1.00 0.00 H new ATOM 0 HA ALA B 68 13.630 7.899 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA B 68 13.822 10.171 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA B 68 14.262 8.907 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA B 68 15.534 9.857 -9.475 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.360 2.320 11.529 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.779 -2.700 12.172 1.00 0.00 CA