USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 4 THR OG1 : rot -68:sc= 0.978 USER MOD Set 1.2: A 7 THR OG1 : rot 140:sc= 0.604 USER MOD Single : A 1 MET CE :methyl 139:sc= -0.181 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0609 (180deg=-0.511) USER MOD Single : A 2 GLN : amide:sc= 0.775 K(o=0.78,f=-0.0042) USER MOD Single : A 3 TYR OH : rot -39:sc= -0.457 USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= -0.238 (180deg=-1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.698 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -4.75! C(o=-4.7!,f=-6.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 149:sc= -0.203 (180deg=-1.55!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.63! C(o=-1.6!,f=-11!) USER MOD Single : A 50 HIS : no HE2:sc= -2.72 X(o=-2.7,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 90:sc= -1.66 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -1.55 (180deg=-3.01) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 29:sc= 0.0895 USER MOD Single : A 78 HIS : no HD1:sc= -0.115 K(o=-0.11,f=-0.64) USER MOD Single : A 79 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.7!) USER MOD Single : A 80 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.67) USER MOD Single : A 81 HIS : no HD1:sc= -4.25! C(o=-4.3!,f=-15!) USER MOD Single : A 82 HIS : no HD1:sc=-0.00294 X(o=-0.0029,f=-0.0029) USER MOD Single : A 83 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.317 -14.885 -9.951 1.00 0.00 N ATOM 2 CA MET A 1 -20.223 -16.353 -10.191 1.00 0.00 C ATOM 3 C MET A 1 -18.783 -16.809 -9.980 1.00 0.00 C ATOM 4 O MET A 1 -18.443 -17.359 -8.932 1.00 0.00 O ATOM 5 CB MET A 1 -20.666 -16.659 -11.623 1.00 0.00 C ATOM 6 CG MET A 1 -22.165 -16.392 -11.762 1.00 0.00 C ATOM 7 SD MET A 1 -22.664 -16.609 -13.490 1.00 0.00 S ATOM 8 CE MET A 1 -22.342 -18.387 -13.608 1.00 0.00 C ATOM 0 H1 MET A 1 -21.300 -14.632 -9.725 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.701 -14.623 -9.155 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.016 -14.374 -10.805 1.00 0.00 H new ATOM 0 HA MET A 1 -20.871 -16.885 -9.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.109 -16.041 -12.327 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.447 -17.698 -11.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.727 -17.073 -11.123 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.397 -15.380 -11.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.142 -18.865 -14.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.391 -18.552 -14.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.298 -18.816 -12.607 1.00 0.00 H new ATOM 20 N GLN A 2 -17.942 -16.574 -10.982 1.00 0.00 N ATOM 21 CA GLN A 2 -16.539 -16.963 -10.896 1.00 0.00 C ATOM 22 C GLN A 2 -15.827 -16.179 -9.800 1.00 0.00 C ATOM 23 O GLN A 2 -15.017 -16.731 -9.056 1.00 0.00 O ATOM 24 CB GLN A 2 -15.842 -16.703 -12.236 1.00 0.00 C ATOM 25 CG GLN A 2 -14.380 -17.161 -12.159 1.00 0.00 C ATOM 26 CD GLN A 2 -13.669 -16.858 -13.469 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.111 -17.286 -14.535 1.00 0.00 O ATOM 28 NE2 GLN A 2 -12.589 -16.129 -13.448 1.00 0.00 N ATOM 0 H GLN A 2 -18.205 -16.120 -11.857 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.494 -18.025 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -16.358 -17.236 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.888 -15.642 -12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.875 -16.655 -11.336 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.336 -18.230 -11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.228 -15.777 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.105 -15.910 -14.318 1.00 0.00 H new ATOM 37 N TYR A 3 -16.125 -14.890 -9.713 1.00 0.00 N ATOM 38 CA TYR A 3 -15.492 -14.044 -8.711 1.00 0.00 C ATOM 39 C TYR A 3 -16.014 -14.411 -7.329 1.00 0.00 C ATOM 40 O TYR A 3 -17.213 -14.619 -7.147 1.00 0.00 O ATOM 41 CB TYR A 3 -15.796 -12.573 -9.003 1.00 0.00 C ATOM 42 CG TYR A 3 -15.434 -12.266 -10.436 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.114 -11.947 -10.785 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.425 -12.316 -11.421 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.793 -11.680 -12.121 1.00 0.00 C ATOM 46 CE2 TYR A 3 -16.103 -12.047 -12.754 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.786 -11.729 -13.105 1.00 0.00 C ATOM 48 OH TYR A 3 -14.468 -11.468 -14.422 1.00 0.00 O ATOM 0 H TYR A 3 -16.793 -14.411 -10.317 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.413 -14.198 -8.743 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.852 -12.366 -8.830 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.231 -11.931 -8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.347 -11.907 -10.025 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.441 -12.563 -11.151 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.777 -11.436 -12.393 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.870 -12.084 -13.513 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.820 -10.734 -14.463 1.00 0.00 H new ATOM 58 N THR A 4 -15.110 -14.502 -6.358 1.00 0.00 N ATOM 59 CA THR A 4 -15.501 -14.861 -4.992 1.00 0.00 C ATOM 60 C THR A 4 -14.729 -14.007 -3.980 1.00 0.00 C ATOM 61 O THR A 4 -13.645 -13.506 -4.281 1.00 0.00 O ATOM 62 CB THR A 4 -15.224 -16.364 -4.738 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.160 -16.506 -3.806 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.843 -17.065 -6.049 1.00 0.00 C ATOM 0 H THR A 4 -14.112 -14.335 -6.485 1.00 0.00 H new ATOM 0 HA THR A 4 -16.568 -14.672 -4.871 1.00 0.00 H new ATOM 0 HB THR A 4 -16.129 -16.821 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.323 -16.201 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.651 -18.120 -5.855 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.661 -16.970 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.946 -16.603 -6.461 1.00 0.00 H new ATOM 72 N PRO A 5 -15.264 -13.831 -2.796 1.00 0.00 N ATOM 73 CA PRO A 5 -14.608 -13.019 -1.728 1.00 0.00 C ATOM 74 C PRO A 5 -13.312 -13.659 -1.230 1.00 0.00 C ATOM 75 O PRO A 5 -12.454 -12.977 -0.673 1.00 0.00 O ATOM 76 CB PRO A 5 -15.667 -12.952 -0.613 1.00 0.00 C ATOM 77 CG PRO A 5 -16.535 -14.150 -0.834 1.00 0.00 C ATOM 78 CD PRO A 5 -16.550 -14.388 -2.343 1.00 0.00 C ATOM 0 HA PRO A 5 -14.308 -12.034 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.204 -12.976 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.245 -12.029 -0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.142 -15.019 -0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.543 -13.976 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.633 -15.449 -2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.393 -13.888 -2.819 1.00 0.00 H new ATOM 86 N ASP A 6 -13.176 -14.970 -1.428 1.00 0.00 N ATOM 87 CA ASP A 6 -11.976 -15.685 -0.991 1.00 0.00 C ATOM 88 C ASP A 6 -11.523 -16.663 -2.065 1.00 0.00 C ATOM 89 O ASP A 6 -11.988 -17.801 -2.115 1.00 0.00 O ATOM 90 CB ASP A 6 -12.270 -16.448 0.299 1.00 0.00 C ATOM 91 CG ASP A 6 -11.015 -17.166 0.783 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.074 -16.486 1.161 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.012 -18.385 0.768 1.00 0.00 O ATOM 0 H ASP A 6 -13.876 -15.555 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.183 -14.959 -0.814 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.622 -15.758 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.069 -17.170 0.129 1.00 0.00 H new ATOM 98 N THR A 7 -10.613 -16.219 -2.926 1.00 0.00 N ATOM 99 CA THR A 7 -10.108 -17.075 -3.997 1.00 0.00 C ATOM 100 C THR A 7 -8.605 -16.863 -4.166 1.00 0.00 C ATOM 101 O THR A 7 -8.139 -15.729 -4.269 1.00 0.00 O ATOM 102 CB THR A 7 -10.848 -16.741 -5.307 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.125 -16.203 -4.993 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.045 -18.005 -6.149 1.00 0.00 C ATOM 0 H THR A 7 -10.213 -15.281 -2.905 1.00 0.00 H new ATOM 0 HA THR A 7 -10.284 -18.121 -3.744 1.00 0.00 H new ATOM 0 HB THR A 7 -10.255 -16.022 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.327 -15.462 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.569 -17.750 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.074 -18.436 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.633 -18.730 -5.585 1.00 0.00 H new ATOM 112 N ALA A 8 -7.856 -17.959 -4.206 1.00 0.00 N ATOM 113 CA ALA A 8 -6.404 -17.880 -4.380 1.00 0.00 C ATOM 114 C ALA A 8 -6.068 -17.968 -5.860 1.00 0.00 C ATOM 115 O ALA A 8 -6.100 -19.049 -6.450 1.00 0.00 O ATOM 116 CB ALA A 8 -5.723 -19.028 -3.632 1.00 0.00 C ATOM 0 H ALA A 8 -8.223 -18.907 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.046 -16.932 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.644 -18.961 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.960 -18.962 -2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.079 -19.980 -4.025 1.00 0.00 H new ATOM 122 N TRP A 9 -5.760 -16.823 -6.466 1.00 0.00 N ATOM 123 CA TRP A 9 -5.435 -16.777 -7.893 1.00 0.00 C ATOM 124 C TRP A 9 -3.929 -16.665 -8.085 1.00 0.00 C ATOM 125 O TRP A 9 -3.249 -15.953 -7.346 1.00 0.00 O ATOM 126 CB TRP A 9 -6.129 -15.572 -8.555 1.00 0.00 C ATOM 127 CG TRP A 9 -7.561 -15.895 -8.855 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.306 -16.831 -8.221 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.431 -15.305 -9.864 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.571 -16.844 -8.768 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.699 -15.923 -9.781 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.245 -14.301 -10.828 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.746 -15.561 -10.623 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.295 -13.932 -11.679 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.546 -14.559 -11.577 1.00 0.00 C ATOM 0 H TRP A 9 -5.728 -15.919 -5.996 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.788 -17.697 -8.360 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.075 -14.706 -7.896 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.609 -15.305 -9.475 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.964 -17.465 -7.416 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.321 -17.462 -8.459 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.287 -13.810 -10.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.705 -16.050 -10.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.140 -13.160 -12.418 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.352 -14.268 -12.234 1.00 0.00 H new ATOM 146 N LYS A 10 -3.415 -17.373 -9.088 1.00 0.00 N ATOM 147 CA LYS A 10 -1.985 -17.348 -9.383 1.00 0.00 C ATOM 148 C LYS A 10 -1.717 -16.372 -10.516 1.00 0.00 C ATOM 149 O LYS A 10 -2.359 -16.435 -11.562 1.00 0.00 O ATOM 150 CB LYS A 10 -1.514 -18.749 -9.784 1.00 0.00 C ATOM 151 CG LYS A 10 0.018 -18.793 -9.915 1.00 0.00 C ATOM 152 CD LYS A 10 0.675 -18.874 -8.528 1.00 0.00 C ATOM 153 CE LYS A 10 2.162 -19.191 -8.691 1.00 0.00 C ATOM 154 NZ LYS A 10 2.845 -18.030 -9.328 1.00 0.00 N ATOM 0 H LYS A 10 -3.965 -17.968 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.439 -17.029 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.841 -19.475 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.973 -19.035 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.313 -19.654 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.370 -17.904 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.549 -17.930 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.191 -19.644 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.609 -19.403 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.291 -20.084 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.852 -18.035 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.752 -18.097 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.408 -17.146 -8.998 1.00 0.00 H new ATOM 168 N ILE A 11 -0.775 -15.467 -10.294 1.00 0.00 N ATOM 169 CA ILE A 11 -0.435 -14.466 -11.296 1.00 0.00 C ATOM 170 C ILE A 11 0.517 -15.056 -12.328 1.00 0.00 C ATOM 171 O ILE A 11 1.579 -15.569 -11.980 1.00 0.00 O ATOM 172 CB ILE A 11 0.235 -13.266 -10.619 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.573 -12.840 -9.393 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.291 -12.095 -11.600 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.202 -11.775 -8.613 1.00 0.00 C ATOM 0 H ILE A 11 -0.234 -15.405 -9.432 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.349 -14.145 -11.795 1.00 0.00 H new ATOM 0 HB ILE A 11 1.242 -13.549 -10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.541 -12.446 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.768 -13.702 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.767 -11.240 -11.120 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.866 -12.384 -12.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.721 -11.824 -11.901 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.375 -11.472 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.160 -12.184 -8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.374 -10.909 -9.252 1.00 0.00 H new ATOM 187 N THR A 12 0.132 -14.979 -13.603 1.00 0.00 N ATOM 188 CA THR A 12 0.963 -15.510 -14.685 1.00 0.00 C ATOM 189 C THR A 12 1.557 -14.372 -15.510 1.00 0.00 C ATOM 190 O THR A 12 2.740 -14.392 -15.854 1.00 0.00 O ATOM 191 CB THR A 12 0.118 -16.408 -15.589 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.400 -17.490 -14.827 1.00 0.00 O ATOM 193 CG2 THR A 12 0.984 -16.951 -16.728 1.00 0.00 C ATOM 0 H THR A 12 -0.744 -14.557 -13.911 1.00 0.00 H new ATOM 0 HA THR A 12 1.776 -16.090 -14.248 1.00 0.00 H new ATOM 0 HB THR A 12 -0.706 -15.830 -16.008 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.943 -18.066 -15.404 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.380 -17.591 -17.371 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.380 -16.120 -17.312 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.810 -17.529 -16.313 1.00 0.00 H new ATOM 201 N GLY A 13 0.728 -13.380 -15.824 1.00 0.00 N ATOM 202 CA GLY A 13 1.178 -12.235 -16.610 1.00 0.00 C ATOM 203 C GLY A 13 -0.003 -11.462 -17.178 1.00 0.00 C ATOM 204 O GLY A 13 -1.159 -11.783 -16.908 1.00 0.00 O ATOM 0 H GLY A 13 -0.253 -13.346 -15.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.781 -11.576 -15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.818 -12.577 -17.424 1.00 0.00 H new ATOM 208 N PHE A 14 0.296 -10.435 -17.970 1.00 0.00 N ATOM 209 CA PHE A 14 -0.746 -9.611 -18.581 1.00 0.00 C ATOM 210 C PHE A 14 -0.963 -10.017 -20.037 1.00 0.00 C ATOM 211 O PHE A 14 -0.041 -10.480 -20.707 1.00 0.00 O ATOM 212 CB PHE A 14 -0.346 -8.136 -18.506 1.00 0.00 C ATOM 213 CG PHE A 14 1.131 -8.001 -18.766 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.031 -8.076 -17.699 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.600 -7.791 -20.065 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.404 -7.941 -17.929 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.972 -7.653 -20.299 1.00 0.00 C ATOM 218 CZ PHE A 14 3.875 -7.728 -19.231 1.00 0.00 C ATOM 0 H PHE A 14 1.248 -10.153 -18.204 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.678 -9.762 -18.036 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.909 -7.558 -19.239 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.591 -7.731 -17.524 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.666 -8.238 -16.696 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.903 -7.735 -20.888 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.099 -8.001 -17.105 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.335 -7.489 -21.303 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.935 -7.622 -19.411 1.00 0.00 H new ATOM 228 N SER A 15 -2.191 -9.840 -20.517 1.00 0.00 N ATOM 229 CA SER A 15 -2.526 -10.191 -21.894 1.00 0.00 C ATOM 230 C SER A 15 -2.028 -9.119 -22.856 1.00 0.00 C ATOM 231 O SER A 15 -1.597 -8.049 -22.434 1.00 0.00 O ATOM 232 CB SER A 15 -4.040 -10.339 -22.042 1.00 0.00 C ATOM 233 OG SER A 15 -4.403 -10.114 -23.397 1.00 0.00 O ATOM 0 H SER A 15 -2.967 -9.458 -19.976 1.00 0.00 H new ATOM 0 HA SER A 15 -2.041 -11.137 -22.134 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.352 -11.336 -21.731 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.552 -9.628 -21.393 1.00 0.00 H new ATOM 0 HG SER A 15 -5.373 -10.210 -23.496 1.00 0.00 H new ATOM 239 N ARG A 16 -2.083 -9.414 -24.148 1.00 0.00 N ATOM 240 CA ARG A 16 -1.637 -8.462 -25.156 1.00 0.00 C ATOM 241 C ARG A 16 -2.591 -7.275 -25.239 1.00 0.00 C ATOM 242 O ARG A 16 -2.166 -6.133 -25.405 1.00 0.00 O ATOM 243 CB ARG A 16 -1.550 -9.147 -26.519 1.00 0.00 C ATOM 244 CG ARG A 16 -0.366 -10.115 -26.526 1.00 0.00 C ATOM 245 CD ARG A 16 -0.311 -10.844 -27.869 1.00 0.00 C ATOM 246 NE ARG A 16 0.832 -11.750 -27.903 1.00 0.00 N ATOM 247 CZ ARG A 16 1.024 -12.574 -28.928 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.181 -12.584 -29.924 1.00 0.00 N ATOM 249 NH2 ARG A 16 2.055 -13.374 -28.939 1.00 0.00 N ATOM 0 H ARG A 16 -2.429 -10.298 -24.521 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.651 -8.097 -24.869 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.475 -9.685 -26.728 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.430 -8.402 -27.306 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.563 -9.571 -26.357 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.466 -10.835 -25.713 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.233 -11.404 -28.025 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.236 -10.121 -28.681 1.00 0.00 H new ATOM 0 HE ARG A 16 1.495 -11.751 -27.128 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.625 -11.959 -29.916 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.328 -13.216 -30.711 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.714 -13.367 -28.161 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.202 -14.006 -29.726 1.00 0.00 H new ATOM 263 N GLU A 17 -3.885 -7.559 -25.128 1.00 0.00 N ATOM 264 CA GLU A 17 -4.900 -6.514 -25.197 1.00 0.00 C ATOM 265 C GLU A 17 -4.792 -5.586 -23.992 1.00 0.00 C ATOM 266 O GLU A 17 -5.364 -4.496 -23.979 1.00 0.00 O ATOM 267 CB GLU A 17 -6.294 -7.146 -25.237 1.00 0.00 C ATOM 268 CG GLU A 17 -7.340 -6.066 -25.539 1.00 0.00 C ATOM 269 CD GLU A 17 -8.717 -6.698 -25.715 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.861 -7.862 -25.380 1.00 0.00 O ATOM 271 OE2 GLU A 17 -9.607 -6.008 -26.183 1.00 0.00 O ATOM 0 H GLU A 17 -4.254 -8.500 -24.990 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.739 -5.932 -26.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.330 -7.924 -25.999 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.515 -7.624 -24.283 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.367 -5.339 -24.727 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.063 -5.524 -26.443 1.00 0.00 H new ATOM 278 N ILE A 18 -4.058 -6.029 -22.973 1.00 0.00 N ATOM 279 CA ILE A 18 -3.888 -5.237 -21.758 1.00 0.00 C ATOM 280 C ILE A 18 -3.695 -3.764 -22.102 1.00 0.00 C ATOM 281 O ILE A 18 -3.121 -3.432 -23.139 1.00 0.00 O ATOM 282 CB ILE A 18 -2.673 -5.743 -20.975 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.602 -5.052 -19.607 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.394 -5.434 -21.761 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.811 -5.434 -18.741 1.00 0.00 C ATOM 0 H ILE A 18 -3.574 -6.927 -22.965 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.785 -5.341 -21.148 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.769 -6.819 -20.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.680 -5.335 -19.099 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.572 -3.971 -19.742 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.529 -5.794 -21.204 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.434 -5.931 -22.730 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.309 -4.357 -21.908 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.740 -4.933 -17.776 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.729 -5.128 -19.242 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.823 -6.513 -18.589 1.00 0.00 H new ATOM 297 N SER A 19 -4.187 -2.886 -21.235 1.00 0.00 N ATOM 298 CA SER A 19 -4.067 -1.455 -21.477 1.00 0.00 C ATOM 299 C SER A 19 -2.661 -0.962 -21.103 1.00 0.00 C ATOM 300 O SER A 19 -2.082 -1.442 -20.127 1.00 0.00 O ATOM 301 CB SER A 19 -5.109 -0.696 -20.654 1.00 0.00 C ATOM 302 OG SER A 19 -6.406 -1.192 -20.966 1.00 0.00 O ATOM 0 H SER A 19 -4.666 -3.136 -20.370 1.00 0.00 H new ATOM 0 HA SER A 19 -4.237 -1.270 -22.538 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.907 -0.817 -19.590 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.053 0.371 -20.870 1.00 0.00 H new ATOM 0 HG SER A 19 -7.076 -0.709 -20.439 1.00 0.00 H new ATOM 308 N PRO A 20 -2.101 -0.016 -21.833 1.00 0.00 N ATOM 309 CA PRO A 20 -0.744 0.525 -21.519 1.00 0.00 C ATOM 310 C PRO A 20 -0.580 0.885 -20.039 1.00 0.00 C ATOM 311 O PRO A 20 0.468 0.638 -19.448 1.00 0.00 O ATOM 312 CB PRO A 20 -0.646 1.795 -22.383 1.00 0.00 C ATOM 313 CG PRO A 20 -1.571 1.569 -23.536 1.00 0.00 C ATOM 314 CD PRO A 20 -2.674 0.623 -23.043 1.00 0.00 C ATOM 0 HA PRO A 20 0.033 -0.211 -21.724 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.936 2.679 -21.815 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.376 1.958 -22.726 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.996 2.512 -23.881 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.037 1.133 -24.380 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.589 1.168 -22.809 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.929 -0.118 -23.800 1.00 0.00 H new ATOM 322 N ALA A 21 -1.612 1.484 -19.455 1.00 0.00 N ATOM 323 CA ALA A 21 -1.552 1.892 -18.053 1.00 0.00 C ATOM 324 C ALA A 21 -1.146 0.730 -17.149 1.00 0.00 C ATOM 325 O ALA A 21 -0.170 0.822 -16.400 1.00 0.00 O ATOM 326 CB ALA A 21 -2.920 2.421 -17.615 1.00 0.00 C ATOM 0 H ALA A 21 -2.493 1.697 -19.924 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.799 2.674 -17.961 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.875 2.725 -16.569 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.193 3.278 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.668 1.637 -17.733 1.00 0.00 H new ATOM 332 N TYR A 22 -1.898 -0.359 -17.221 1.00 0.00 N ATOM 333 CA TYR A 22 -1.613 -1.527 -16.400 1.00 0.00 C ATOM 334 C TYR A 22 -0.249 -2.114 -16.755 1.00 0.00 C ATOM 335 O TYR A 22 0.578 -2.410 -15.877 1.00 0.00 O ATOM 336 CB TYR A 22 -2.703 -2.577 -16.617 1.00 0.00 C ATOM 337 CG TYR A 22 -2.451 -3.755 -15.714 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.523 -4.728 -16.089 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.139 -3.871 -14.500 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.281 -5.819 -15.254 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.897 -4.966 -13.662 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.965 -5.939 -14.040 1.00 0.00 C ATOM 343 OH TYR A 22 -1.725 -7.020 -13.215 1.00 0.00 O ATOM 0 H TYR A 22 -2.706 -0.458 -17.836 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.596 -1.227 -15.352 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.683 -2.148 -16.408 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.711 -2.899 -17.658 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.993 -4.636 -17.025 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.856 -3.117 -14.210 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.564 -6.572 -15.546 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.428 -5.060 -12.726 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.282 -6.949 -12.412 1.00 0.00 H new ATOM 353 N ARG A 23 -0.014 -2.271 -18.052 1.00 0.00 N ATOM 354 CA ARG A 23 1.246 -2.819 -18.524 1.00 0.00 C ATOM 355 C ARG A 23 2.407 -1.981 -18.002 1.00 0.00 C ATOM 356 O ARG A 23 3.406 -2.515 -17.508 1.00 0.00 O ATOM 357 CB ARG A 23 1.259 -2.830 -20.051 1.00 0.00 C ATOM 358 CG ARG A 23 2.417 -3.701 -20.545 1.00 0.00 C ATOM 359 CD ARG A 23 2.409 -3.758 -22.076 1.00 0.00 C ATOM 360 NE ARG A 23 2.707 -2.446 -22.643 1.00 0.00 N ATOM 361 CZ ARG A 23 2.645 -2.234 -23.955 1.00 0.00 C ATOM 362 NH1 ARG A 23 2.307 -3.205 -24.760 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.925 -1.054 -24.439 1.00 0.00 N ATOM 0 H ARG A 23 -0.676 -2.028 -18.789 1.00 0.00 H new ATOM 0 HA ARG A 23 1.354 -3.839 -18.155 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.313 -3.215 -20.431 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.366 -1.814 -20.432 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.365 -3.295 -20.192 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.328 -4.707 -20.134 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.144 -4.485 -22.422 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.435 -4.099 -22.427 1.00 0.00 H new ATOM 0 HE ARG A 23 2.967 -1.679 -22.023 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.090 -4.128 -24.383 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.260 -3.041 -25.766 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.191 -0.295 -23.811 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.878 -0.891 -25.445 1.00 0.00 H new ATOM 377 N GLN A 24 2.261 -0.666 -18.089 1.00 0.00 N ATOM 378 CA GLN A 24 3.297 0.230 -17.602 1.00 0.00 C ATOM 379 C GLN A 24 3.506 -0.003 -16.111 1.00 0.00 C ATOM 380 O GLN A 24 4.626 0.080 -15.613 1.00 0.00 O ATOM 381 CB GLN A 24 2.904 1.690 -17.863 1.00 0.00 C ATOM 382 CG GLN A 24 4.153 2.577 -17.863 1.00 0.00 C ATOM 383 CD GLN A 24 4.775 2.609 -16.471 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.080 2.858 -15.486 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.052 2.373 -16.331 1.00 0.00 N ATOM 0 H GLN A 24 1.445 -0.201 -18.487 1.00 0.00 H new ATOM 0 HA GLN A 24 4.227 0.026 -18.132 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.390 1.771 -18.821 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.207 2.030 -17.097 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.877 2.198 -18.584 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.890 3.588 -18.175 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.625 2.167 -17.149 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.476 2.395 -15.404 1.00 0.00 H new ATOM 394 N LYS A 25 2.421 -0.295 -15.401 1.00 0.00 N ATOM 395 CA LYS A 25 2.512 -0.541 -13.977 1.00 0.00 C ATOM 396 C LYS A 25 3.497 -1.675 -13.712 1.00 0.00 C ATOM 397 O LYS A 25 4.359 -1.566 -12.841 1.00 0.00 O ATOM 398 CB LYS A 25 1.124 -0.928 -13.435 1.00 0.00 C ATOM 399 CG LYS A 25 1.002 -0.488 -11.968 1.00 0.00 C ATOM 400 CD LYS A 25 0.630 1.011 -11.926 1.00 0.00 C ATOM 401 CE LYS A 25 1.269 1.692 -10.721 1.00 0.00 C ATOM 402 NZ LYS A 25 0.644 1.188 -9.468 1.00 0.00 N ATOM 0 H LYS A 25 1.480 -0.365 -15.789 1.00 0.00 H new ATOM 0 HA LYS A 25 2.861 0.362 -13.476 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.344 -0.456 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.979 -2.005 -13.515 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.241 -1.080 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.942 -0.658 -11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.961 1.499 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.453 1.121 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.341 1.497 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.142 2.772 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.083 1.655 -8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.375 1.396 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.787 0.160 -9.398 1.00 0.00 H new ATOM 416 N LEU A 26 3.371 -2.763 -14.468 1.00 0.00 N ATOM 417 CA LEU A 26 4.283 -3.894 -14.287 1.00 0.00 C ATOM 418 C LEU A 26 5.717 -3.481 -14.607 1.00 0.00 C ATOM 419 O LEU A 26 6.647 -3.834 -13.884 1.00 0.00 O ATOM 420 CB LEU A 26 3.863 -5.070 -15.186 1.00 0.00 C ATOM 421 CG LEU A 26 2.778 -5.915 -14.499 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.343 -6.600 -13.238 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.596 -5.019 -14.130 1.00 0.00 C ATOM 0 H LEU A 26 2.666 -2.887 -15.195 1.00 0.00 H new ATOM 0 HA LEU A 26 4.233 -4.211 -13.245 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.489 -4.692 -16.138 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.730 -5.692 -15.409 1.00 0.00 H new ATOM 0 HG LEU A 26 2.443 -6.692 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.561 -7.194 -12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.173 -7.249 -13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.696 -5.842 -12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.825 -5.616 -13.643 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.932 -4.235 -13.451 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.187 -4.566 -15.033 1.00 0.00 H new ATOM 435 N LEU A 27 5.895 -2.739 -15.689 1.00 0.00 N ATOM 436 CA LEU A 27 7.228 -2.291 -16.074 1.00 0.00 C ATOM 437 C LEU A 27 7.745 -1.231 -15.100 1.00 0.00 C ATOM 438 O LEU A 27 8.948 -1.118 -14.872 1.00 0.00 O ATOM 439 CB LEU A 27 7.201 -1.733 -17.507 1.00 0.00 C ATOM 440 CG LEU A 27 7.416 -2.870 -18.512 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.333 -3.936 -18.329 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.343 -2.306 -19.931 1.00 0.00 C ATOM 0 H LEU A 27 5.145 -2.436 -16.310 1.00 0.00 H new ATOM 0 HA LEU A 27 7.905 -3.144 -16.039 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.247 -1.242 -17.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.977 -0.977 -17.627 1.00 0.00 H new ATOM 0 HG LEU A 27 8.394 -3.322 -18.345 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.491 -4.742 -19.046 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.384 -4.336 -17.316 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.352 -3.490 -18.494 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.495 -3.110 -20.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.364 -1.855 -20.093 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.117 -1.550 -20.062 1.00 0.00 H new ATOM 454 N SER A 28 6.827 -0.447 -14.544 1.00 0.00 N ATOM 455 CA SER A 28 7.203 0.613 -13.612 1.00 0.00 C ATOM 456 C SER A 28 7.947 0.050 -12.407 1.00 0.00 C ATOM 457 O SER A 28 8.966 0.599 -11.985 1.00 0.00 O ATOM 458 CB SER A 28 5.952 1.348 -13.131 1.00 0.00 C ATOM 459 OG SER A 28 6.274 2.122 -11.985 1.00 0.00 O ATOM 0 H SER A 28 5.825 -0.523 -14.720 1.00 0.00 H new ATOM 0 HA SER A 28 7.863 1.303 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.567 1.991 -13.922 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.165 0.633 -12.892 1.00 0.00 H new ATOM 0 HG SER A 28 5.474 2.596 -11.675 1.00 0.00 H new ATOM 465 N LEU A 29 7.430 -1.042 -11.852 1.00 0.00 N ATOM 466 CA LEU A 29 8.043 -1.682 -10.683 1.00 0.00 C ATOM 467 C LEU A 29 8.459 -3.114 -11.017 1.00 0.00 C ATOM 468 O LEU A 29 8.184 -3.612 -12.108 1.00 0.00 O ATOM 469 CB LEU A 29 7.048 -1.683 -9.509 1.00 0.00 C ATOM 470 CG LEU A 29 5.616 -1.848 -10.033 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.508 -3.140 -10.851 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.652 -1.917 -8.845 1.00 0.00 C ATOM 0 H LEU A 29 6.587 -1.506 -12.190 1.00 0.00 H new ATOM 0 HA LEU A 29 8.932 -1.119 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.287 -2.493 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.134 -0.752 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 29 5.362 -0.999 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.489 -3.252 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.197 -3.095 -11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.761 -3.992 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.632 -2.034 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.912 -2.768 -8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.725 -0.998 -8.263 1.00 0.00 H new ATOM 484 N GLY A 30 9.126 -3.768 -10.067 1.00 0.00 N ATOM 485 CA GLY A 30 9.579 -5.145 -10.260 1.00 0.00 C ATOM 486 C GLY A 30 8.522 -6.137 -9.782 1.00 0.00 C ATOM 487 O GLY A 30 8.715 -7.349 -9.860 1.00 0.00 O ATOM 0 H GLY A 30 9.364 -3.368 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.795 -5.317 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.509 -5.306 -9.714 1.00 0.00 H new ATOM 491 N MET A 31 7.403 -5.611 -9.290 1.00 0.00 N ATOM 492 CA MET A 31 6.319 -6.459 -8.803 1.00 0.00 C ATOM 493 C MET A 31 5.702 -7.226 -9.960 1.00 0.00 C ATOM 494 O MET A 31 4.603 -6.907 -10.413 1.00 0.00 O ATOM 495 CB MET A 31 5.239 -5.603 -8.135 1.00 0.00 C ATOM 496 CG MET A 31 4.309 -6.500 -7.316 1.00 0.00 C ATOM 497 SD MET A 31 5.193 -7.132 -5.866 1.00 0.00 S ATOM 498 CE MET A 31 5.408 -5.554 -5.002 1.00 0.00 C ATOM 0 H MET A 31 7.224 -4.609 -9.218 1.00 0.00 H new ATOM 0 HA MET A 31 6.726 -7.160 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.700 -4.855 -7.490 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.668 -5.064 -8.891 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.430 -5.938 -7.002 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.955 -7.329 -7.928 1.00 0.00 H new ATOM 0 HE1 MET A 31 5.409 -5.726 -3.926 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.355 -5.103 -5.299 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.589 -4.883 -5.261 1.00 0.00 H new ATOM 508 N LEU A 32 6.422 -8.230 -10.449 1.00 0.00 N ATOM 509 CA LEU A 32 5.944 -9.029 -11.576 1.00 0.00 C ATOM 510 C LEU A 32 5.336 -10.346 -11.077 1.00 0.00 C ATOM 511 O LEU A 32 5.472 -10.684 -9.902 1.00 0.00 O ATOM 512 CB LEU A 32 7.131 -9.285 -12.539 1.00 0.00 C ATOM 513 CG LEU A 32 6.943 -8.491 -13.845 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.203 -7.010 -13.574 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.922 -8.998 -14.903 1.00 0.00 C ATOM 0 H LEU A 32 7.333 -8.510 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 32 5.160 -8.492 -12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.066 -8.993 -12.060 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.205 -10.350 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 32 5.924 -8.624 -14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.071 -6.443 -14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.501 -6.649 -12.822 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.222 -6.880 -13.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.785 -8.433 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.943 -8.868 -14.546 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.736 -10.055 -15.094 1.00 0.00 H new ATOM 527 N PRO A 33 4.670 -11.087 -11.937 1.00 0.00 N ATOM 528 CA PRO A 33 4.042 -12.385 -11.551 1.00 0.00 C ATOM 529 C PRO A 33 5.014 -13.300 -10.811 1.00 0.00 C ATOM 530 O PRO A 33 6.080 -12.874 -10.372 1.00 0.00 O ATOM 531 CB PRO A 33 3.633 -13.010 -12.891 1.00 0.00 C ATOM 532 CG PRO A 33 3.448 -11.855 -13.815 1.00 0.00 C ATOM 533 CD PRO A 33 4.430 -10.774 -13.362 1.00 0.00 C ATOM 0 HA PRO A 33 3.206 -12.240 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.400 -13.691 -13.259 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.714 -13.588 -12.793 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.643 -12.148 -14.846 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.422 -11.488 -13.777 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.354 -10.806 -13.939 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.011 -9.776 -13.487 1.00 0.00 H new ATOM 541 N GLY A 34 4.635 -14.569 -10.688 1.00 0.00 N ATOM 542 CA GLY A 34 5.470 -15.557 -10.008 1.00 0.00 C ATOM 543 C GLY A 34 4.952 -15.827 -8.600 1.00 0.00 C ATOM 544 O GLY A 34 5.567 -16.565 -7.830 1.00 0.00 O ATOM 0 H GLY A 34 3.756 -14.938 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.482 -16.485 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.498 -15.199 -9.960 1.00 0.00 H new ATOM 548 N SER A 35 3.810 -15.224 -8.273 1.00 0.00 N ATOM 549 CA SER A 35 3.194 -15.397 -6.955 1.00 0.00 C ATOM 550 C SER A 35 1.679 -15.502 -7.090 1.00 0.00 C ATOM 551 O SER A 35 1.149 -15.626 -8.195 1.00 0.00 O ATOM 552 CB SER A 35 3.547 -14.217 -6.049 1.00 0.00 C ATOM 553 OG SER A 35 4.952 -14.193 -5.834 1.00 0.00 O ATOM 0 H SER A 35 3.291 -14.611 -8.902 1.00 0.00 H new ATOM 0 HA SER A 35 3.577 -16.316 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.222 -13.283 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.023 -14.305 -5.097 1.00 0.00 H new ATOM 0 HG SER A 35 5.181 -13.437 -5.255 1.00 0.00 H new ATOM 559 N SER A 36 0.984 -15.453 -5.955 1.00 0.00 N ATOM 560 CA SER A 36 -0.478 -15.544 -5.942 1.00 0.00 C ATOM 561 C SER A 36 -1.063 -14.474 -5.031 1.00 0.00 C ATOM 562 O SER A 36 -0.381 -13.949 -4.152 1.00 0.00 O ATOM 563 CB SER A 36 -0.908 -16.926 -5.445 1.00 0.00 C ATOM 564 OG SER A 36 -0.894 -16.938 -4.024 1.00 0.00 O ATOM 0 H SER A 36 1.407 -15.351 -5.033 1.00 0.00 H new ATOM 0 HA SER A 36 -0.847 -15.391 -6.956 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.906 -17.163 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.235 -17.691 -5.833 1.00 0.00 H new ATOM 0 HG SER A 36 -1.170 -17.821 -3.702 1.00 0.00 H new ATOM 570 N PHE A 37 -2.336 -14.151 -5.252 1.00 0.00 N ATOM 571 CA PHE A 37 -3.017 -13.135 -4.451 1.00 0.00 C ATOM 572 C PHE A 37 -4.426 -13.597 -4.102 1.00 0.00 C ATOM 573 O PHE A 37 -4.954 -14.530 -4.711 1.00 0.00 O ATOM 574 CB PHE A 37 -3.088 -11.813 -5.225 1.00 0.00 C ATOM 575 CG PHE A 37 -4.048 -11.944 -6.388 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.614 -12.469 -7.612 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.381 -11.545 -6.233 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.511 -12.592 -8.680 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.278 -11.669 -7.300 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.844 -12.192 -8.521 1.00 0.00 C ATOM 0 H PHE A 37 -2.915 -14.576 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.452 -12.983 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.414 -11.011 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.097 -11.542 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.586 -12.779 -7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.717 -11.141 -5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.176 -12.994 -9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.306 -11.360 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.537 -12.288 -9.343 1.00 0.00 H new ATOM 590 N ASN A 38 -5.032 -12.938 -3.117 1.00 0.00 N ATOM 591 CA ASN A 38 -6.386 -13.279 -2.684 1.00 0.00 C ATOM 592 C ASN A 38 -7.307 -12.071 -2.819 1.00 0.00 C ATOM 593 O ASN A 38 -6.872 -10.914 -2.716 1.00 0.00 O ATOM 594 CB ASN A 38 -6.366 -13.751 -1.229 1.00 0.00 C ATOM 595 CG ASN A 38 -5.567 -12.774 -0.378 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.845 -11.933 -0.910 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.653 -12.834 0.923 1.00 0.00 N ATOM 0 H ASN A 38 -4.608 -12.165 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.762 -14.082 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.385 -13.829 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.925 -14.746 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.121 -12.183 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.252 -13.532 1.363 1.00 0.00 H new ATOM 604 N VAL A 39 -8.584 -12.348 -3.061 1.00 0.00 N ATOM 605 CA VAL A 39 -9.566 -11.286 -3.219 1.00 0.00 C ATOM 606 C VAL A 39 -10.103 -10.849 -1.861 1.00 0.00 C ATOM 607 O VAL A 39 -10.537 -11.677 -1.061 1.00 0.00 O ATOM 608 CB VAL A 39 -10.733 -11.774 -4.080 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.620 -10.584 -4.458 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.199 -12.454 -5.349 1.00 0.00 C ATOM 0 H VAL A 39 -8.959 -13.292 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.078 -10.440 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.321 -12.497 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.452 -10.931 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.007 -10.117 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.033 -9.857 -5.019 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.036 -12.799 -5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.604 -11.742 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.577 -13.305 -5.072 1.00 0.00 H new ATOM 620 N VAL A 40 -10.074 -9.547 -1.607 1.00 0.00 N ATOM 621 CA VAL A 40 -10.568 -9.014 -0.343 1.00 0.00 C ATOM 622 C VAL A 40 -12.086 -9.155 -0.238 1.00 0.00 C ATOM 623 O VAL A 40 -12.615 -9.484 0.825 1.00 0.00 O ATOM 624 CB VAL A 40 -10.146 -7.541 -0.203 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.437 -6.774 -1.503 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.911 -6.888 0.957 1.00 0.00 C ATOM 0 H VAL A 40 -9.716 -8.844 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.130 -9.590 0.472 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.075 -7.504 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.133 -5.734 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.881 -7.226 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.504 -6.818 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.608 -5.845 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.982 -6.938 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.687 -7.416 1.884 1.00 0.00 H new ATOM 636 N ARG A 41 -12.776 -8.893 -1.340 1.00 0.00 N ATOM 637 CA ARG A 41 -14.229 -8.974 -1.366 1.00 0.00 C ATOM 638 C ARG A 41 -14.737 -8.748 -2.781 1.00 0.00 C ATOM 639 O ARG A 41 -13.993 -8.297 -3.652 1.00 0.00 O ATOM 640 CB ARG A 41 -14.819 -7.909 -0.436 1.00 0.00 C ATOM 641 CG ARG A 41 -14.493 -6.513 -0.977 1.00 0.00 C ATOM 642 CD ARG A 41 -14.921 -5.464 0.051 1.00 0.00 C ATOM 643 NE ARG A 41 -14.654 -4.121 -0.452 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.999 -3.044 0.245 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.591 -3.175 1.402 1.00 0.00 N ATOM 646 NH2 ARG A 41 -14.745 -1.853 -0.227 1.00 0.00 N ATOM 0 H ARG A 41 -12.352 -8.623 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.536 -9.964 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.899 -8.037 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.413 -8.024 0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.425 -6.428 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.010 -6.346 -1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.983 -5.573 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.385 -5.622 0.987 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.194 -4.007 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.789 -4.105 1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.855 -2.347 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.282 -1.750 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.010 -1.026 0.307 1.00 0.00 H new ATOM 660 N VAL A 42 -16.011 -9.050 -3.004 1.00 0.00 N ATOM 661 CA VAL A 42 -16.625 -8.859 -4.318 1.00 0.00 C ATOM 662 C VAL A 42 -17.974 -8.169 -4.163 1.00 0.00 C ATOM 663 O VAL A 42 -18.837 -8.641 -3.423 1.00 0.00 O ATOM 664 CB VAL A 42 -16.802 -10.211 -5.011 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.429 -10.744 -5.420 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.472 -11.209 -4.059 1.00 0.00 C ATOM 0 H VAL A 42 -16.640 -9.427 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.975 -8.232 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.432 -10.085 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.546 -11.708 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.954 -10.040 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.807 -10.864 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.593 -12.168 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.850 -11.341 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.450 -10.829 -3.763 1.00 0.00 H new ATOM 676 N ALA A 43 -18.160 -7.044 -4.858 1.00 0.00 N ATOM 677 CA ALA A 43 -19.421 -6.306 -4.771 1.00 0.00 C ATOM 678 C ALA A 43 -20.379 -6.735 -5.900 1.00 0.00 C ATOM 679 O ALA A 43 -20.117 -6.437 -7.066 1.00 0.00 O ATOM 680 CB ALA A 43 -19.145 -4.803 -4.881 1.00 0.00 C ATOM 0 H ALA A 43 -17.464 -6.630 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.888 -6.527 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.085 -4.255 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.487 -4.493 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.666 -4.590 -5.837 1.00 0.00 H new ATOM 686 N PRO A 44 -21.475 -7.415 -5.598 1.00 0.00 N ATOM 687 CA PRO A 44 -22.447 -7.857 -6.643 1.00 0.00 C ATOM 688 C PRO A 44 -23.326 -6.707 -7.143 1.00 0.00 C ATOM 689 O PRO A 44 -24.040 -6.846 -8.135 1.00 0.00 O ATOM 690 CB PRO A 44 -23.278 -8.939 -5.942 1.00 0.00 C ATOM 691 CG PRO A 44 -23.236 -8.584 -4.488 1.00 0.00 C ATOM 692 CD PRO A 44 -21.915 -7.835 -4.246 1.00 0.00 C ATOM 0 HA PRO A 44 -21.945 -8.225 -7.538 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.302 -8.952 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.862 -9.931 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.088 -7.960 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.290 -9.481 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.060 -6.976 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.175 -8.478 -3.770 1.00 0.00 H new ATOM 700 N LEU A 45 -23.284 -5.581 -6.434 1.00 0.00 N ATOM 701 CA LEU A 45 -24.097 -4.425 -6.800 1.00 0.00 C ATOM 702 C LEU A 45 -23.724 -3.918 -8.192 1.00 0.00 C ATOM 703 O LEU A 45 -24.576 -3.411 -8.923 1.00 0.00 O ATOM 704 CB LEU A 45 -23.886 -3.301 -5.770 1.00 0.00 C ATOM 705 CG LEU A 45 -24.749 -3.559 -4.533 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.358 -4.900 -3.907 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.523 -2.440 -3.515 1.00 0.00 C ATOM 0 H LEU A 45 -22.700 -5.445 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.144 -4.727 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.835 -3.249 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.146 -2.339 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.800 -3.585 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.973 -5.083 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.515 -5.699 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.308 -4.874 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.137 -2.621 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -23.472 -2.417 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.799 -1.483 -3.959 1.00 0.00 H new ATOM 719 N GLY A 46 -22.452 -4.059 -8.559 1.00 0.00 N ATOM 720 CA GLY A 46 -21.980 -3.609 -9.872 1.00 0.00 C ATOM 721 C GLY A 46 -20.729 -2.752 -9.732 1.00 0.00 C ATOM 722 O GLY A 46 -20.450 -1.901 -10.575 1.00 0.00 O ATOM 0 H GLY A 46 -21.731 -4.478 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.766 -4.472 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.764 -3.038 -10.369 1.00 0.00 H new ATOM 726 N ASP A 47 -19.974 -2.977 -8.657 1.00 0.00 N ATOM 727 CA ASP A 47 -18.750 -2.212 -8.416 1.00 0.00 C ATOM 728 C ASP A 47 -17.540 -3.012 -8.910 1.00 0.00 C ATOM 729 O ASP A 47 -17.614 -4.228 -9.082 1.00 0.00 O ATOM 730 CB ASP A 47 -18.621 -1.912 -6.902 1.00 0.00 C ATOM 731 CG ASP A 47 -18.950 -0.446 -6.602 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.823 0.093 -7.262 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.317 0.113 -5.721 1.00 0.00 O ATOM 0 H ASP A 47 -20.185 -3.676 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.790 -1.268 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.293 -2.561 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.608 -2.137 -6.568 1.00 0.00 H new ATOM 738 N PRO A 48 -16.437 -2.353 -9.140 1.00 0.00 N ATOM 739 CA PRO A 48 -15.192 -3.012 -9.628 1.00 0.00 C ATOM 740 C PRO A 48 -14.753 -4.148 -8.709 1.00 0.00 C ATOM 741 O PRO A 48 -15.337 -4.363 -7.647 1.00 0.00 O ATOM 742 CB PRO A 48 -14.150 -1.875 -9.659 1.00 0.00 C ATOM 743 CG PRO A 48 -14.735 -0.784 -8.813 1.00 0.00 C ATOM 744 CD PRO A 48 -16.246 -0.909 -8.962 1.00 0.00 C ATOM 0 HA PRO A 48 -15.329 -3.478 -10.604 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.191 -2.209 -9.263 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.972 -1.531 -10.678 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.434 -0.893 -7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.389 0.195 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.771 -0.537 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.616 -0.344 -9.817 1.00 0.00 H new ATOM 752 N ILE A 49 -13.725 -4.877 -9.134 1.00 0.00 N ATOM 753 CA ILE A 49 -13.215 -6.000 -8.358 1.00 0.00 C ATOM 754 C ILE A 49 -12.084 -5.531 -7.457 1.00 0.00 C ATOM 755 O ILE A 49 -11.049 -5.065 -7.933 1.00 0.00 O ATOM 756 CB ILE A 49 -12.695 -7.091 -9.308 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.665 -7.245 -10.488 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.556 -8.431 -8.565 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.075 -7.583 -9.987 1.00 0.00 C ATOM 0 H ILE A 49 -13.230 -4.710 -10.010 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.020 -6.406 -7.745 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.713 -6.799 -9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.691 -6.322 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.312 -8.031 -11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.187 -9.192 -9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.854 -8.318 -7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.528 -8.734 -8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.748 -7.688 -10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.048 -8.518 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.432 -6.783 -9.339 1.00 0.00 H new ATOM 771 N HIS A 50 -12.290 -5.662 -6.152 1.00 0.00 N ATOM 772 CA HIS A 50 -11.286 -5.253 -5.175 1.00 0.00 C ATOM 773 C HIS A 50 -10.466 -6.454 -4.738 1.00 0.00 C ATOM 774 O HIS A 50 -11.011 -7.451 -4.264 1.00 0.00 O ATOM 775 CB HIS A 50 -11.969 -4.637 -3.955 1.00 0.00 C ATOM 776 CG HIS A 50 -12.604 -3.329 -4.337 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.675 -2.260 -3.458 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.199 -2.900 -5.498 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.291 -1.249 -4.097 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.632 -1.586 -5.344 1.00 0.00 N ATOM 0 H HIS A 50 -13.142 -6.048 -5.745 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.629 -4.515 -5.635 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.725 -5.319 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.241 -4.480 -3.159 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.324 -2.243 -2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.314 -3.492 -6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.486 -0.283 -3.656 1.00 0.00 H new ATOM 788 N ILE A 51 -9.151 -6.356 -4.902 1.00 0.00 N ATOM 789 CA ILE A 51 -8.246 -7.438 -4.523 1.00 0.00 C ATOM 790 C ILE A 51 -7.142 -6.922 -3.610 1.00 0.00 C ATOM 791 O ILE A 51 -6.720 -5.769 -3.721 1.00 0.00 O ATOM 792 CB ILE A 51 -7.628 -8.069 -5.780 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.943 -6.987 -6.624 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.728 -8.737 -6.610 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.094 -7.646 -7.716 1.00 0.00 C ATOM 0 H ILE A 51 -8.686 -5.538 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.819 -8.193 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.890 -8.813 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.692 -6.336 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.315 -6.360 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.290 -9.185 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.212 -9.512 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.466 -7.991 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.608 -6.875 -8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.336 -8.279 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.733 -8.254 -8.357 1.00 0.00 H new ATOM 807 N GLU A 52 -6.669 -7.788 -2.710 1.00 0.00 N ATOM 808 CA GLU A 52 -5.599 -7.409 -1.782 1.00 0.00 C ATOM 809 C GLU A 52 -4.556 -8.511 -1.710 1.00 0.00 C ATOM 810 O GLU A 52 -4.824 -9.604 -1.214 1.00 0.00 O ATOM 811 CB GLU A 52 -6.169 -7.144 -0.386 1.00 0.00 C ATOM 812 CG GLU A 52 -6.993 -5.855 -0.405 1.00 0.00 C ATOM 813 CD GLU A 52 -7.614 -5.607 0.968 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.395 -6.419 1.853 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.300 -4.608 1.115 1.00 0.00 O ATOM 0 H GLU A 52 -7.005 -8.745 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.131 -6.496 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.792 -7.981 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.359 -7.059 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.359 -5.013 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.777 -5.927 -1.159 1.00 0.00 H new ATOM 822 N THR A 53 -3.366 -8.215 -2.220 1.00 0.00 N ATOM 823 CA THR A 53 -2.276 -9.183 -2.224 1.00 0.00 C ATOM 824 C THR A 53 -1.526 -9.125 -0.898 1.00 0.00 C ATOM 825 O THR A 53 -1.806 -8.264 -0.059 1.00 0.00 O ATOM 826 CB THR A 53 -1.317 -8.886 -3.375 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.327 -7.979 -2.925 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.096 -8.259 -4.543 1.00 0.00 C ATOM 0 H THR A 53 -3.132 -7.313 -2.636 1.00 0.00 H new ATOM 0 HA THR A 53 -2.691 -10.182 -2.357 1.00 0.00 H new ATOM 0 HB THR A 53 -0.846 -9.809 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.433 -8.479 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.412 -8.047 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.865 -8.953 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.564 -7.332 -4.212 1.00 0.00 H new ATOM 836 N ARG A 54 -0.579 -10.047 -0.715 1.00 0.00 N ATOM 837 CA ARG A 54 0.191 -10.130 0.529 1.00 0.00 C ATOM 838 C ARG A 54 0.420 -8.756 1.142 1.00 0.00 C ATOM 839 O ARG A 54 0.110 -8.536 2.312 1.00 0.00 O ATOM 840 CB ARG A 54 1.554 -10.766 0.246 1.00 0.00 C ATOM 841 CG ARG A 54 1.375 -12.232 -0.145 1.00 0.00 C ATOM 842 CD ARG A 54 2.741 -12.842 -0.467 1.00 0.00 C ATOM 843 NE ARG A 54 2.593 -14.240 -0.854 1.00 0.00 N ATOM 844 CZ ARG A 54 3.635 -14.957 -1.262 1.00 0.00 C ATOM 845 NH1 ARG A 54 4.821 -14.414 -1.320 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.472 -16.206 -1.605 1.00 0.00 N ATOM 0 H ARG A 54 -0.326 -10.747 -1.412 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.383 -10.735 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.057 -10.226 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.190 -10.691 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.901 -12.782 0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.716 -12.312 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.216 -12.283 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.395 -12.765 0.402 1.00 0.00 H new ATOM 0 HE ARG A 54 1.672 -14.676 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.949 -13.438 -1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.620 -14.966 -1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.546 -16.631 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.271 -16.757 -1.918 1.00 0.00 H new ATOM 860 N ARG A 55 0.951 -7.828 0.360 1.00 0.00 N ATOM 861 CA ARG A 55 1.193 -6.479 0.864 1.00 0.00 C ATOM 862 C ARG A 55 0.910 -5.456 -0.228 1.00 0.00 C ATOM 863 O ARG A 55 1.551 -4.410 -0.289 1.00 0.00 O ATOM 864 CB ARG A 55 2.644 -6.349 1.349 1.00 0.00 C ATOM 865 CG ARG A 55 2.765 -5.173 2.324 1.00 0.00 C ATOM 866 CD ARG A 55 4.223 -5.020 2.752 1.00 0.00 C ATOM 867 NE ARG A 55 5.038 -4.622 1.610 1.00 0.00 N ATOM 868 CZ ARG A 55 5.174 -3.342 1.270 1.00 0.00 C ATOM 869 NH1 ARG A 55 4.568 -2.414 1.961 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.909 -3.016 0.245 1.00 0.00 N ATOM 0 H ARG A 55 1.220 -7.978 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 55 0.525 -6.291 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.957 -7.272 1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.309 -6.197 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.415 -4.256 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.134 -5.343 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.302 -4.275 3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.591 -5.961 3.162 1.00 0.00 H new ATOM 0 HE ARG A 55 5.513 -5.338 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.990 -2.670 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.673 -1.434 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.380 -3.741 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.014 -2.036 -0.016 1.00 0.00 H new ATOM 884 N VAL A 56 -0.054 -5.759 -1.101 1.00 0.00 N ATOM 885 CA VAL A 56 -0.394 -4.828 -2.189 1.00 0.00 C ATOM 886 C VAL A 56 -1.902 -4.789 -2.406 1.00 0.00 C ATOM 887 O VAL A 56 -2.567 -5.824 -2.404 1.00 0.00 O ATOM 888 CB VAL A 56 0.316 -5.244 -3.491 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.437 -4.043 -4.436 1.00 0.00 C ATOM 890 CG2 VAL A 56 1.714 -5.777 -3.158 1.00 0.00 C ATOM 0 H VAL A 56 -0.603 -6.618 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.056 -3.831 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.268 -6.022 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.941 -4.350 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.558 -3.668 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.014 -3.255 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.219 -6.072 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.292 -4.998 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.627 -6.640 -2.499 1.00 0.00 H new ATOM 900 N SER A 57 -2.438 -3.585 -2.593 1.00 0.00 N ATOM 901 CA SER A 57 -3.875 -3.406 -2.816 1.00 0.00 C ATOM 902 C SER A 57 -4.129 -2.892 -4.226 1.00 0.00 C ATOM 903 O SER A 57 -3.503 -1.928 -4.672 1.00 0.00 O ATOM 904 CB SER A 57 -4.442 -2.411 -1.804 1.00 0.00 C ATOM 905 OG SER A 57 -5.825 -2.214 -2.070 1.00 0.00 O ATOM 0 H SER A 57 -1.901 -2.718 -2.595 1.00 0.00 H new ATOM 0 HA SER A 57 -4.368 -4.370 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.304 -2.786 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.908 -1.463 -1.869 1.00 0.00 H new ATOM 0 HG SER A 57 -6.195 -1.578 -1.423 1.00 0.00 H new ATOM 911 N LEU A 58 -5.049 -3.545 -4.930 1.00 0.00 N ATOM 912 CA LEU A 58 -5.386 -3.154 -6.298 1.00 0.00 C ATOM 913 C LEU A 58 -6.866 -3.390 -6.560 1.00 0.00 C ATOM 914 O LEU A 58 -7.464 -4.314 -6.010 1.00 0.00 O ATOM 915 CB LEU A 58 -4.549 -3.968 -7.297 1.00 0.00 C ATOM 916 CG LEU A 58 -4.855 -3.530 -8.740 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.474 -2.053 -8.947 1.00 0.00 C ATOM 918 CD2 LEU A 58 -4.055 -4.413 -9.706 1.00 0.00 C ATOM 0 H LEU A 58 -5.574 -4.346 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.166 -2.094 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.488 -3.832 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.764 -5.030 -7.180 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.922 -3.639 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.697 -1.760 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.046 -1.430 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.409 -1.922 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.264 -4.112 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.990 -4.300 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.342 -5.456 -9.568 1.00 0.00 H new ATOM 930 N VAL A 59 -7.453 -2.550 -7.408 1.00 0.00 N ATOM 931 CA VAL A 59 -8.867 -2.676 -7.757 1.00 0.00 C ATOM 932 C VAL A 59 -9.041 -2.488 -9.260 1.00 0.00 C ATOM 933 O VAL A 59 -8.635 -1.467 -9.815 1.00 0.00 O ATOM 934 CB VAL A 59 -9.703 -1.633 -7.006 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.123 -0.233 -7.226 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.147 -1.673 -7.517 1.00 0.00 C ATOM 0 H VAL A 59 -6.973 -1.775 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.211 -3.670 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.683 -1.862 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.725 0.499 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.098 -0.202 -6.857 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.132 0.002 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.742 -0.932 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.162 -1.451 -8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.566 -2.665 -7.347 1.00 0.00 H new ATOM 946 N LEU A 60 -9.639 -3.481 -9.917 1.00 0.00 N ATOM 947 CA LEU A 60 -9.853 -3.420 -11.365 1.00 0.00 C ATOM 948 C LEU A 60 -11.219 -3.998 -11.727 1.00 0.00 C ATOM 949 O LEU A 60 -11.919 -4.538 -10.872 1.00 0.00 O ATOM 950 CB LEU A 60 -8.753 -4.198 -12.095 1.00 0.00 C ATOM 951 CG LEU A 60 -7.391 -3.516 -11.905 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.293 -4.427 -12.460 1.00 0.00 C ATOM 953 CD2 LEU A 60 -7.363 -2.161 -12.642 1.00 0.00 C ATOM 0 H LEU A 60 -9.983 -4.333 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.818 -2.375 -11.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.710 -5.219 -11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.989 -4.261 -13.157 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.224 -3.339 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.322 -3.949 -12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.305 -5.377 -11.926 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.469 -4.604 -13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.391 -1.689 -12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.535 -2.322 -13.706 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.144 -1.513 -12.243 1.00 0.00 H new ATOM 965 N ARG A 61 -11.596 -3.873 -12.999 1.00 0.00 N ATOM 966 CA ARG A 61 -12.887 -4.378 -13.462 1.00 0.00 C ATOM 967 C ARG A 61 -12.802 -5.861 -13.797 1.00 0.00 C ATOM 968 O ARG A 61 -11.715 -6.410 -13.961 1.00 0.00 O ATOM 969 CB ARG A 61 -13.340 -3.600 -14.691 1.00 0.00 C ATOM 970 CG ARG A 61 -13.643 -2.160 -14.281 1.00 0.00 C ATOM 971 CD ARG A 61 -14.294 -1.430 -15.447 1.00 0.00 C ATOM 972 NE ARG A 61 -13.349 -1.276 -16.548 1.00 0.00 N ATOM 973 CZ ARG A 61 -12.483 -0.267 -16.579 1.00 0.00 C ATOM 974 NH1 ARG A 61 -12.472 0.612 -15.614 1.00 0.00 N ATOM 975 NH2 ARG A 61 -11.647 -0.154 -17.575 1.00 0.00 N ATOM 0 H ARG A 61 -11.030 -3.430 -13.722 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.613 -4.245 -12.659 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.564 -3.619 -15.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.226 -4.063 -15.125 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.305 -2.148 -13.415 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.724 -1.653 -13.987 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.169 -1.984 -15.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.643 -0.450 -15.121 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.353 -1.955 -17.309 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.127 0.525 -14.837 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.808 1.386 -15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.658 -0.840 -18.330 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.983 0.620 -17.598 1.00 0.00 H new ATOM 989 N LYS A 62 -13.956 -6.507 -13.895 1.00 0.00 N ATOM 990 CA LYS A 62 -13.999 -7.929 -14.209 1.00 0.00 C ATOM 991 C LYS A 62 -13.320 -8.202 -15.550 1.00 0.00 C ATOM 992 O LYS A 62 -12.682 -9.241 -15.737 1.00 0.00 O ATOM 993 CB LYS A 62 -15.451 -8.407 -14.259 1.00 0.00 C ATOM 994 CG LYS A 62 -16.288 -7.414 -15.069 1.00 0.00 C ATOM 995 CD LYS A 62 -17.693 -7.982 -15.301 1.00 0.00 C ATOM 996 CE LYS A 62 -18.459 -8.050 -13.976 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.914 -8.208 -14.257 1.00 0.00 N ATOM 0 H LYS A 62 -14.869 -6.073 -13.763 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.466 -8.473 -13.429 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.504 -9.397 -14.712 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.851 -8.497 -13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -16.354 -6.464 -14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.805 -7.213 -16.025 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.234 -7.356 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.623 -8.977 -15.741 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.099 -8.887 -13.377 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.285 -7.144 -13.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.438 -8.255 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -20.250 -7.396 -14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -20.071 -9.084 -14.795 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.454 -7.258 -16.476 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.846 -7.407 -17.790 1.00 0.00 C ATOM 1013 C LYS A 63 -11.334 -7.531 -17.668 1.00 0.00 C ATOM 1014 O LYS A 63 -10.706 -8.325 -18.368 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.192 -6.209 -18.666 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.673 -6.269 -19.040 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.995 -5.150 -20.028 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.681 -3.790 -19.397 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.029 -3.804 -17.947 1.00 0.00 N ATOM 0 H LYS A 63 -13.973 -6.390 -16.342 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.238 -8.315 -18.249 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.976 -5.281 -18.136 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.577 -6.212 -19.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.908 -7.237 -19.482 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.289 -6.168 -18.146 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.413 -5.280 -20.940 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.047 -5.195 -20.311 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.623 -3.558 -19.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.242 -3.006 -19.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.206 -2.832 -17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.883 -4.379 -17.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.241 -4.211 -17.405 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.755 -6.741 -16.772 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.315 -6.771 -16.564 1.00 0.00 C ATOM 1035 C ASP A 64 -8.872 -8.152 -16.088 1.00 0.00 C ATOM 1036 O ASP A 64 -7.876 -8.690 -16.565 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.921 -5.729 -15.522 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.044 -4.326 -16.108 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.143 -4.215 -17.319 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.038 -3.381 -15.337 1.00 0.00 O ATOM 0 H ASP A 64 -11.257 -6.077 -16.183 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.825 -6.547 -17.511 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.561 -5.822 -14.644 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.897 -5.904 -15.191 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.621 -8.725 -15.152 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.288 -10.046 -14.628 1.00 0.00 C ATOM 1047 C LEU A 65 -9.336 -11.080 -15.745 1.00 0.00 C ATOM 1048 O LEU A 65 -8.469 -11.948 -15.836 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.274 -10.433 -13.508 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.778 -9.895 -12.161 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.590 -8.382 -12.247 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.796 -10.208 -11.081 1.00 0.00 C ATOM 0 H LEU A 65 -10.454 -8.302 -14.744 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.279 -10.018 -14.217 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.263 -10.030 -13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.375 -11.517 -13.460 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.827 -10.368 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.237 -8.004 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.857 -8.150 -13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.541 -7.911 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.441 -9.825 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.747 -9.738 -11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.932 -11.287 -11.011 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.349 -10.982 -16.595 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.480 -11.920 -17.700 1.00 0.00 C ATOM 1066 C ALA A 66 -9.276 -11.812 -18.633 1.00 0.00 C ATOM 1067 O ALA A 66 -8.722 -12.821 -19.067 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.762 -11.632 -18.479 1.00 0.00 C ATOM 0 H ALA A 66 -11.081 -10.274 -16.543 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.524 -12.931 -17.295 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.853 -12.338 -19.304 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.621 -11.736 -17.817 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.728 -10.616 -18.873 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.878 -10.581 -18.939 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.741 -10.352 -19.823 1.00 0.00 C ATOM 1076 C LEU A 67 -6.435 -10.779 -19.158 1.00 0.00 C ATOM 1077 O LEU A 67 -5.568 -11.368 -19.798 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.666 -8.872 -20.197 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.869 -8.494 -21.068 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.896 -6.974 -21.250 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.773 -9.185 -22.444 1.00 0.00 C ATOM 0 H LEU A 67 -9.323 -9.732 -18.590 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.882 -10.952 -20.722 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.652 -8.260 -19.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.739 -8.670 -20.734 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.786 -8.824 -20.579 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.749 -6.697 -21.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.982 -6.492 -20.276 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.975 -6.649 -21.735 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.634 -8.907 -23.052 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.858 -8.870 -22.946 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.759 -10.266 -22.308 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.297 -10.472 -17.876 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.085 -10.823 -17.148 1.00 0.00 C ATOM 1095 C LEU A 68 -4.925 -12.335 -17.071 1.00 0.00 C ATOM 1096 O LEU A 68 -5.892 -13.062 -16.839 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.147 -10.233 -15.737 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.979 -8.708 -15.799 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.403 -8.103 -14.459 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.514 -8.335 -16.086 1.00 0.00 C ATOM 0 H LEU A 68 -7.002 -9.985 -17.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.225 -10.412 -17.677 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.100 -10.484 -15.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.364 -10.669 -15.117 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.602 -8.316 -16.603 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.286 -7.020 -14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.447 -8.349 -14.263 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.779 -8.508 -13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.416 -7.250 -16.126 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.877 -8.728 -15.294 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.210 -8.762 -17.042 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.696 -12.804 -17.276 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.426 -14.236 -17.238 1.00 0.00 C ATOM 1114 C GLU A 69 -3.320 -14.713 -15.797 1.00 0.00 C ATOM 1115 O GLU A 69 -2.350 -14.410 -15.099 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.123 -14.547 -17.979 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.236 -14.073 -19.429 1.00 0.00 C ATOM 1118 CD GLU A 69 -3.298 -14.886 -20.162 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.634 -15.955 -19.683 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -3.763 -14.422 -21.191 1.00 0.00 O ATOM 0 H GLU A 69 -2.882 -12.220 -17.468 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.249 -14.757 -17.727 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.285 -14.052 -17.487 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.922 -15.618 -17.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.494 -13.014 -19.455 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.274 -14.179 -19.931 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.329 -15.461 -15.355 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.356 -15.984 -13.990 1.00 0.00 C ATOM 1129 C VAL A 70 -4.770 -17.448 -13.989 1.00 0.00 C ATOM 1130 O VAL A 70 -5.422 -17.923 -14.917 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.336 -15.177 -13.132 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.787 -13.768 -12.899 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.682 -15.079 -13.856 1.00 0.00 C ATOM 0 H VAL A 70 -5.138 -15.718 -15.921 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.353 -15.897 -13.571 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.466 -15.677 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.489 -13.200 -12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.828 -13.832 -12.385 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.652 -13.267 -13.858 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.381 -14.505 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.543 -14.582 -14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.081 -16.080 -14.020 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.381 -18.162 -12.934 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.713 -19.583 -12.809 1.00 0.00 C ATOM 1145 C GLU A 71 -5.111 -19.916 -11.378 1.00 0.00 C ATOM 1146 O GLU A 71 -4.386 -19.606 -10.433 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.507 -20.440 -13.211 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.213 -20.259 -14.704 1.00 0.00 C ATOM 1149 CD GLU A 71 -4.359 -20.822 -15.539 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -5.098 -21.642 -15.020 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -4.486 -20.419 -16.684 1.00 0.00 O ATOM 0 H GLU A 71 -3.839 -17.784 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.552 -19.798 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.635 -20.155 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.708 -21.489 -12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.075 -19.202 -14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.283 -20.764 -14.963 1.00 0.00 H new ATOM 1158 N ALA A 72 -6.266 -20.554 -11.227 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.747 -20.931 -9.906 1.00 0.00 C ATOM 1160 C ALA A 72 -5.884 -22.050 -9.334 1.00 0.00 C ATOM 1161 O ALA A 72 -5.572 -23.018 -10.027 1.00 0.00 O ATOM 1162 CB ALA A 72 -8.202 -21.397 -9.997 1.00 0.00 C ATOM 0 H ALA A 72 -6.881 -20.819 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.687 -20.064 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.557 -21.678 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.819 -20.588 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.268 -22.257 -10.663 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.503 -21.912 -8.065 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.672 -22.919 -7.399 1.00 0.00 C ATOM 1170 C VAL A 73 -5.394 -23.481 -6.184 1.00 0.00 C ATOM 1171 O VAL A 73 -5.913 -22.736 -5.354 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.348 -22.295 -6.956 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.471 -22.055 -8.180 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.619 -20.963 -6.249 1.00 0.00 C ATOM 0 H VAL A 73 -5.754 -21.117 -7.478 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.476 -23.726 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.838 -22.970 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.526 -21.610 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.278 -23.004 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.981 -21.379 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.674 -20.520 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.128 -20.285 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.248 -21.136 -5.376 1.00 0.00 H new ATOM 1184 N SER A 74 -5.426 -24.803 -6.080 1.00 0.00 N ATOM 1185 CA SER A 74 -6.088 -25.449 -4.955 1.00 0.00 C ATOM 1186 C SER A 74 -5.153 -25.521 -3.751 1.00 0.00 C ATOM 1187 O SER A 74 -5.562 -25.272 -2.617 1.00 0.00 O ATOM 1188 CB SER A 74 -6.533 -26.857 -5.349 1.00 0.00 C ATOM 1189 OG SER A 74 -7.311 -27.416 -4.299 1.00 0.00 O ATOM 0 H SER A 74 -5.006 -25.443 -6.754 1.00 0.00 H new ATOM 0 HA SER A 74 -6.962 -24.858 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.116 -26.822 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.663 -27.484 -5.546 1.00 0.00 H new ATOM 0 HG SER A 74 -7.599 -28.319 -4.550 1.00 0.00 H new ATOM 1195 N SER A 75 -3.894 -25.866 -4.007 1.00 0.00 N ATOM 1196 CA SER A 75 -2.902 -25.971 -2.940 1.00 0.00 C ATOM 1197 C SER A 75 -1.497 -25.791 -3.500 1.00 0.00 C ATOM 1198 O SER A 75 -1.134 -26.400 -4.505 1.00 0.00 O ATOM 1199 CB SER A 75 -3.015 -27.336 -2.260 1.00 0.00 C ATOM 1200 OG SER A 75 -2.989 -28.355 -3.250 1.00 0.00 O ATOM 0 H SER A 75 -3.537 -26.077 -4.939 1.00 0.00 H new ATOM 0 HA SER A 75 -3.092 -25.185 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.194 -27.474 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.940 -27.394 -1.686 1.00 0.00 H new ATOM 0 HG SER A 75 -2.475 -28.045 -4.025 1.00 0.00 H new ATOM 1206 N LEU A 76 -0.714 -24.949 -2.839 1.00 0.00 N ATOM 1207 CA LEU A 76 0.651 -24.690 -3.272 1.00 0.00 C ATOM 1208 C LEU A 76 1.485 -25.967 -3.190 1.00 0.00 C ATOM 1209 O LEU A 76 2.275 -26.262 -4.086 1.00 0.00 O ATOM 1210 CB LEU A 76 1.273 -23.603 -2.385 1.00 0.00 C ATOM 1211 CG LEU A 76 0.809 -22.220 -2.853 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -0.715 -22.127 -2.743 1.00 0.00 C ATOM 1213 CD2 LEU A 76 1.453 -21.143 -1.976 1.00 0.00 C ATOM 0 H LEU A 76 -1.000 -24.436 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 76 0.636 -24.349 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.985 -23.760 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.360 -23.665 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 76 1.106 -22.069 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.044 -21.143 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.172 -22.894 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.015 -22.278 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.124 -20.158 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.157 -21.294 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.538 -21.209 -2.057 1.00 0.00 H new ATOM 1225 N GLU A 77 1.299 -26.717 -2.108 1.00 0.00 N ATOM 1226 CA GLU A 77 2.037 -27.961 -1.915 1.00 0.00 C ATOM 1227 C GLU A 77 3.529 -27.730 -2.137 1.00 0.00 C ATOM 1228 O GLU A 77 3.996 -27.669 -3.274 1.00 0.00 O ATOM 1229 CB GLU A 77 1.530 -29.028 -2.889 1.00 0.00 C ATOM 1230 CG GLU A 77 2.139 -30.386 -2.529 1.00 0.00 C ATOM 1231 CD GLU A 77 1.548 -30.890 -1.217 1.00 0.00 C ATOM 1232 OE1 GLU A 77 0.609 -30.276 -0.738 1.00 0.00 O ATOM 1233 OE2 GLU A 77 2.040 -31.886 -0.711 1.00 0.00 O ATOM 0 H GLU A 77 0.649 -26.488 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 77 1.879 -28.304 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.442 -29.084 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.797 -28.758 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.944 -31.104 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.222 -30.296 -2.439 1.00 0.00 H new ATOM 1240 N HIS A 78 4.274 -27.603 -1.042 1.00 0.00 N ATOM 1241 CA HIS A 78 5.715 -27.379 -1.127 1.00 0.00 C ATOM 1242 C HIS A 78 6.414 -27.905 0.123 1.00 0.00 C ATOM 1243 O HIS A 78 5.810 -27.993 1.192 1.00 0.00 O ATOM 1244 CB HIS A 78 6.004 -25.885 -1.284 1.00 0.00 C ATOM 1245 CG HIS A 78 5.393 -25.133 -0.134 1.00 0.00 C ATOM 1246 ND1 HIS A 78 4.051 -24.787 -0.107 1.00 0.00 N ATOM 1247 CD2 HIS A 78 5.927 -24.655 1.037 1.00 0.00 C ATOM 1248 CE1 HIS A 78 3.824 -24.131 1.045 1.00 0.00 C ATOM 1249 NE2 HIS A 78 4.934 -24.023 1.780 1.00 0.00 N ATOM 0 H HIS A 78 3.907 -27.651 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 78 6.096 -27.916 -1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.080 -25.713 -1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.596 -25.522 -2.227 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.960 -24.754 1.336 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.862 -23.739 1.340 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.033 -23.574 2.690 1.00 0.00 H new ATOM 1257 N HIS A 79 7.687 -28.254 -0.021 1.00 0.00 N ATOM 1258 CA HIS A 79 8.462 -28.772 1.100 1.00 0.00 C ATOM 1259 C HIS A 79 9.944 -28.827 0.746 1.00 0.00 C ATOM 1260 O HIS A 79 10.457 -29.868 0.336 1.00 0.00 O ATOM 1261 CB HIS A 79 7.969 -30.171 1.471 1.00 0.00 C ATOM 1262 CG HIS A 79 7.882 -31.015 0.229 1.00 0.00 C ATOM 1263 ND1 HIS A 79 6.901 -30.816 -0.730 1.00 0.00 N ATOM 1264 CD2 HIS A 79 8.642 -32.065 -0.223 1.00 0.00 C ATOM 1265 CE1 HIS A 79 7.096 -31.725 -1.703 1.00 0.00 C ATOM 1266 NE2 HIS A 79 8.144 -32.512 -1.443 1.00 0.00 N ATOM 0 H HIS A 79 8.203 -28.188 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 79 8.330 -28.104 1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.649 -30.630 2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.992 -30.109 1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.496 -32.481 0.290 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.480 -31.808 -2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.502 -33.276 -2.016 1.00 0.00 H new ATOM 1274 N HIS A 80 10.626 -27.696 0.904 1.00 0.00 N ATOM 1275 CA HIS A 80 12.052 -27.617 0.597 1.00 0.00 C ATOM 1276 C HIS A 80 12.718 -26.525 1.426 1.00 0.00 C ATOM 1277 O HIS A 80 12.042 -25.693 2.034 1.00 0.00 O ATOM 1278 CB HIS A 80 12.251 -27.325 -0.891 1.00 0.00 C ATOM 1279 CG HIS A 80 11.577 -26.027 -1.240 1.00 0.00 C ATOM 1280 ND1 HIS A 80 10.209 -25.935 -1.441 1.00 0.00 N ATOM 1281 CD2 HIS A 80 12.070 -24.759 -1.425 1.00 0.00 C ATOM 1282 CE1 HIS A 80 9.927 -24.653 -1.733 1.00 0.00 C ATOM 1283 NE2 HIS A 80 11.026 -23.893 -1.738 1.00 0.00 N ATOM 0 H HIS A 80 10.217 -26.825 1.241 1.00 0.00 H new ATOM 0 HA HIS A 80 12.511 -28.575 0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.315 -27.269 -1.123 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.836 -28.135 -1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.109 -24.477 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.933 -24.283 -1.938 1.00 0.00 H new ATOM 0 HE2 HIS A 80 11.087 -22.893 -1.930 1.00 0.00 H new ATOM 1291 N HIS A 81 14.048 -26.532 1.447 1.00 0.00 N ATOM 1292 CA HIS A 81 14.806 -25.537 2.206 1.00 0.00 C ATOM 1293 C HIS A 81 16.103 -25.188 1.480 1.00 0.00 C ATOM 1294 O HIS A 81 16.781 -26.066 0.945 1.00 0.00 O ATOM 1295 CB HIS A 81 15.127 -26.077 3.600 1.00 0.00 C ATOM 1296 CG HIS A 81 15.653 -24.962 4.462 1.00 0.00 C ATOM 1297 ND1 HIS A 81 16.993 -24.612 4.479 1.00 0.00 N ATOM 1298 CD2 HIS A 81 15.030 -24.107 5.335 1.00 0.00 C ATOM 1299 CE1 HIS A 81 17.134 -23.586 5.337 1.00 0.00 C ATOM 1300 NE2 HIS A 81 15.966 -23.239 5.887 1.00 0.00 N ATOM 0 H HIS A 81 14.623 -27.212 0.950 1.00 0.00 H new ATOM 0 HA HIS A 81 14.200 -24.636 2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.232 -26.507 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.865 -26.876 3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.974 -24.108 5.560 1.00 0.00 H new ATOM 0 HE1 HIS A 81 18.075 -23.102 5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.797 -22.497 6.566 1.00 0.00 H new ATOM 1308 N HIS A 82 16.440 -23.902 1.465 1.00 0.00 N ATOM 1309 CA HIS A 82 17.656 -23.448 0.800 1.00 0.00 C ATOM 1310 C HIS A 82 18.884 -24.113 1.413 1.00 0.00 C ATOM 1311 O HIS A 82 19.787 -24.551 0.699 1.00 0.00 O ATOM 1312 CB HIS A 82 17.780 -21.928 0.929 1.00 0.00 C ATOM 1313 CG HIS A 82 16.657 -21.269 0.176 1.00 0.00 C ATOM 1314 ND1 HIS A 82 16.655 -21.163 -1.206 1.00 0.00 N ATOM 1315 CD2 HIS A 82 15.493 -20.677 0.599 1.00 0.00 C ATOM 1316 CE1 HIS A 82 15.522 -20.530 -1.562 1.00 0.00 C ATOM 1317 NE2 HIS A 82 14.777 -20.210 -0.500 1.00 0.00 N ATOM 0 H HIS A 82 15.893 -23.161 1.902 1.00 0.00 H new ATOM 0 HA HIS A 82 17.597 -23.723 -0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 82 17.748 -21.637 1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 82 18.741 -21.596 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.180 -20.587 1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 82 15.248 -20.308 -2.583 1.00 0.00 H new ATOM 0 HE2 HIS A 82 13.878 -19.728 -0.495 1.00 0.00 H new ATOM 1325 N HIS A 83 18.911 -24.184 2.743 1.00 0.00 N ATOM 1326 CA HIS A 83 20.034 -24.797 3.460 1.00 0.00 C ATOM 1327 C HIS A 83 19.523 -25.663 4.607 1.00 0.00 C ATOM 1328 O HIS A 83 19.789 -25.318 5.746 1.00 0.00 O ATOM 1329 CB HIS A 83 20.954 -23.708 4.014 1.00 0.00 C ATOM 1330 CG HIS A 83 21.547 -22.924 2.875 1.00 0.00 C ATOM 1331 ND1 HIS A 83 22.470 -23.477 2.001 1.00 0.00 N ATOM 1332 CD2 HIS A 83 21.359 -21.631 2.454 1.00 0.00 C ATOM 1333 CE1 HIS A 83 22.800 -22.527 1.107 1.00 0.00 C ATOM 1334 NE2 HIS A 83 22.151 -21.383 1.337 1.00 0.00 N ATOM 1335 OXT HIS A 83 18.871 -26.656 4.329 1.00 0.00 O ATOM 0 H HIS A 83 18.171 -23.826 3.347 1.00 0.00 H new ATOM 0 HA HIS A 83 20.590 -25.424 2.763 1.00 0.00 H new ATOM 0 HB2 HIS A 83 20.394 -23.045 4.673 1.00 0.00 H new ATOM 0 HB3 HIS A 83 21.747 -24.157 4.612 1.00 0.00 H new ATOM 0 HD2 HIS A 83 20.697 -20.915 2.919 1.00 0.00 H new ATOM 0 HE1 HIS A 83 23.504 -22.672 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 83 22.221 -20.514 0.808 1.00 0.00 H new TER 1343 HIS A 83