USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 5 THR OG1 : rot -15:sc= 0.438 USER MOD Single : A 8 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 80:sc= 0.459 USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= 0.431 (180deg=0.0346) USER MOD Single : A 26 THR OG1 : rot 20:sc= 0.246 USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.102 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 36 MET CE :methyl -159:sc= -0.0998 (180deg=-0.639) USER MOD Single : A 38 SER OG : rot 76:sc= 0.0487 USER MOD Single : A 41 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.3!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.565 F(o=-3.3!,f=-0.56) USER MOD Single : A 44 THR OG1 : rot -54:sc= -0.921 USER MOD Single : A 49 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.061) USER MOD Single : A 51 MET CE :methyl -143:sc= -0.464 (180deg=-2.07!) USER MOD Single : A 53 ASN :FLIP amide:sc= -2.51! C(o=-3.9!,f=-2.5!) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.01 F(o=-2!,f=-1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.407 USER MOD Single : A 71 MET CE :methyl 167:sc= -3.22 (180deg=-4.26) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 1.03 (180deg=0.623) USER MOD Single : A 76 MET CE :methyl 154:sc= -0.253 (180deg=-1.3!) 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 51 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 61 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.653 -25.667 -3.030 1.00 0.00 N ATOM 2 CA ALA A 1 -7.066 -26.537 -4.082 1.00 0.00 C ATOM 3 C ALA A 1 -6.077 -25.725 -4.896 1.00 0.00 C ATOM 4 O ALA A 1 -4.863 -25.892 -4.774 1.00 0.00 O ATOM 5 CB ALA A 1 -8.180 -27.062 -4.995 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.333 -26.215 -2.466 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.896 -25.312 -2.411 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.141 -24.864 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.556 -27.383 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.748 -27.700 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.893 -27.638 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.692 -26.222 -5.464 1.00 0.00 H new ATOM 13 N ASP A 2 -6.608 -24.862 -5.758 1.00 0.00 N ATOM 14 CA ASP A 2 -5.779 -24.034 -6.624 1.00 0.00 C ATOM 15 C ASP A 2 -6.150 -22.557 -6.481 1.00 0.00 C ATOM 16 O ASP A 2 -7.119 -22.085 -7.077 1.00 0.00 O ATOM 17 CB ASP A 2 -5.979 -24.496 -8.069 1.00 0.00 C ATOM 18 CG ASP A 2 -5.105 -23.682 -9.013 1.00 0.00 C ATOM 19 OD1 ASP A 2 -4.512 -22.713 -8.560 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.028 -24.044 -10.172 1.00 0.00 O ATOM 0 H ASP A 2 -7.611 -24.719 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.732 -24.140 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.732 -25.554 -8.157 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.027 -24.389 -8.350 1.00 0.00 H new ATOM 25 N GLN A 3 -5.367 -21.839 -5.678 1.00 0.00 N ATOM 26 CA GLN A 3 -5.604 -20.417 -5.443 1.00 0.00 C ATOM 27 C GLN A 3 -4.300 -19.711 -5.069 1.00 0.00 C ATOM 28 O GLN A 3 -3.347 -20.343 -4.616 1.00 0.00 O ATOM 29 CB GLN A 3 -6.638 -20.243 -4.321 1.00 0.00 C ATOM 30 CG GLN A 3 -6.955 -18.755 -4.126 1.00 0.00 C ATOM 31 CD GLN A 3 -8.121 -18.590 -3.155 1.00 0.00 C ATOM 32 OE1 GLN A 3 -8.153 -19.236 -2.110 1.00 0.00 O ATOM 33 NE2 GLN A 3 -9.086 -17.762 -3.443 1.00 0.00 N ATOM 0 H GLN A 3 -4.563 -22.219 -5.179 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.988 -19.969 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.549 -20.788 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.254 -20.666 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.077 -18.235 -3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.203 -18.299 -5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.057 -17.227 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.870 -17.649 -2.800 1.00 0.00 H new ATOM 42 N LEU A 4 -4.266 -18.396 -5.267 1.00 0.00 N ATOM 43 CA LEU A 4 -3.075 -17.604 -4.951 1.00 0.00 C ATOM 44 C LEU A 4 -1.815 -18.260 -5.526 1.00 0.00 C ATOM 45 O LEU A 4 -1.899 -19.219 -6.294 1.00 0.00 O ATOM 46 CB LEU A 4 -2.944 -17.446 -3.419 1.00 0.00 C ATOM 47 CG LEU A 4 -2.442 -16.034 -3.061 1.00 0.00 C ATOM 48 CD1 LEU A 4 -3.623 -15.058 -3.009 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.752 -16.056 -1.694 1.00 0.00 C ATOM 0 H LEU A 4 -5.045 -17.856 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.182 -16.619 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.909 -17.626 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.253 -18.193 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.733 -15.711 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.261 -14.062 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.114 -15.029 -3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.335 -15.389 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.400 -15.054 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.460 -16.389 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.905 -16.741 -1.725 1.00 0.00 H new ATOM 61 N THR A 5 -0.651 -17.734 -5.146 1.00 0.00 N ATOM 62 CA THR A 5 0.621 -18.273 -5.626 1.00 0.00 C ATOM 63 C THR A 5 1.789 -17.686 -4.830 1.00 0.00 C ATOM 64 O THR A 5 1.637 -16.684 -4.131 1.00 0.00 O ATOM 65 CB THR A 5 0.789 -17.953 -7.116 1.00 0.00 C ATOM 66 OG1 THR A 5 -0.250 -18.581 -7.851 1.00 0.00 O ATOM 67 CG2 THR A 5 2.142 -18.471 -7.612 1.00 0.00 C ATOM 0 H THR A 5 -0.562 -16.940 -4.511 1.00 0.00 H new ATOM 0 HA THR A 5 0.618 -19.354 -5.487 1.00 0.00 H new ATOM 0 HB THR A 5 0.743 -16.873 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.687 -19.254 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.254 -18.240 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.943 -17.992 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.193 -19.550 -7.469 1.00 0.00 H new ATOM 75 N GLU A 6 2.957 -18.312 -4.936 1.00 0.00 N ATOM 76 CA GLU A 6 4.138 -17.838 -4.216 1.00 0.00 C ATOM 77 C GLU A 6 4.350 -16.347 -4.461 1.00 0.00 C ATOM 78 O GLU A 6 4.450 -15.558 -3.530 1.00 0.00 O ATOM 79 CB GLU A 6 5.370 -18.620 -4.688 1.00 0.00 C ATOM 80 CG GLU A 6 6.569 -18.308 -3.788 1.00 0.00 C ATOM 81 CD GLU A 6 6.370 -18.942 -2.417 1.00 0.00 C ATOM 82 OE1 GLU A 6 5.418 -19.689 -2.264 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.172 -18.670 -1.538 1.00 0.00 O ATOM 0 H GLU A 6 3.113 -19.142 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 6 3.988 -17.997 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.160 -19.689 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.603 -18.359 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.484 -18.686 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.686 -17.229 -3.685 1.00 0.00 H new ATOM 90 N GLU A 7 4.444 -15.966 -5.720 1.00 0.00 N ATOM 91 CA GLU A 7 4.665 -14.564 -6.052 1.00 0.00 C ATOM 92 C GLU A 7 3.764 -13.651 -5.210 1.00 0.00 C ATOM 93 O GLU A 7 4.241 -12.736 -4.541 1.00 0.00 O ATOM 94 CB GLU A 7 4.382 -14.353 -7.545 1.00 0.00 C ATOM 95 CG GLU A 7 2.912 -14.694 -7.852 1.00 0.00 C ATOM 96 CD GLU A 7 2.735 -15.058 -9.325 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.689 -14.923 -10.065 1.00 0.00 O ATOM 98 OE2 GLU A 7 1.646 -15.471 -9.684 1.00 0.00 O ATOM 0 H GLU A 7 4.373 -16.593 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 7 5.701 -14.307 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.590 -13.319 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.043 -14.982 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.589 -15.526 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.277 -13.843 -7.604 1.00 0.00 H new ATOM 105 N GLN A 8 2.462 -13.889 -5.276 1.00 0.00 N ATOM 106 CA GLN A 8 1.485 -13.066 -4.567 1.00 0.00 C ATOM 107 C GLN A 8 1.914 -12.728 -3.142 1.00 0.00 C ATOM 108 O GLN A 8 2.007 -11.552 -2.789 1.00 0.00 O ATOM 109 CB GLN A 8 0.157 -13.815 -4.516 1.00 0.00 C ATOM 110 CG GLN A 8 -0.390 -14.029 -5.932 1.00 0.00 C ATOM 111 CD GLN A 8 -0.752 -12.694 -6.572 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.595 -11.965 -6.049 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.167 -12.330 -7.677 1.00 0.00 N ATOM 0 H GLN A 8 2.053 -14.651 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 8 1.395 -12.126 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.294 -14.777 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.563 -13.252 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.354 -14.542 -6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.270 -14.672 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.531 -12.936 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.407 -11.439 -8.111 1.00 0.00 H new ATOM 122 N ILE A 9 2.158 -13.738 -2.313 1.00 0.00 N ATOM 123 CA ILE A 9 2.536 -13.459 -0.933 1.00 0.00 C ATOM 124 C ILE A 9 3.795 -12.592 -0.888 1.00 0.00 C ATOM 125 O ILE A 9 3.847 -11.589 -0.180 1.00 0.00 O ATOM 126 CB ILE A 9 2.743 -14.769 -0.159 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.567 -15.739 -1.004 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.389 -15.404 0.139 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.910 -16.989 -0.196 1.00 0.00 C ATOM 0 H ILE A 9 2.104 -14.726 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 9 1.727 -12.906 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 9 3.266 -14.555 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.009 -16.018 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.483 -15.252 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.536 -16.334 0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.790 -14.719 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.872 -15.614 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.497 -17.670 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.487 -16.706 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.990 -17.484 0.117 1.00 0.00 H new ATOM 141 N ALA A 10 4.813 -12.967 -1.651 1.00 0.00 N ATOM 142 CA ALA A 10 6.042 -12.196 -1.675 1.00 0.00 C ATOM 143 C ALA A 10 5.742 -10.746 -2.047 1.00 0.00 C ATOM 144 O ALA A 10 6.194 -9.816 -1.382 1.00 0.00 O ATOM 145 CB ALA A 10 7.002 -12.812 -2.692 1.00 0.00 C ATOM 0 H ALA A 10 4.811 -13.790 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 10 6.502 -12.213 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.927 -12.236 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.222 -13.841 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.543 -12.799 -3.680 1.00 0.00 H new ATOM 151 N GLU A 11 4.964 -10.578 -3.106 1.00 0.00 N ATOM 152 CA GLU A 11 4.591 -9.250 -3.577 1.00 0.00 C ATOM 153 C GLU A 11 3.978 -8.414 -2.454 1.00 0.00 C ATOM 154 O GLU A 11 4.293 -7.234 -2.309 1.00 0.00 O ATOM 155 CB GLU A 11 3.586 -9.379 -4.723 1.00 0.00 C ATOM 156 CG GLU A 11 4.278 -9.954 -5.965 1.00 0.00 C ATOM 157 CD GLU A 11 5.285 -8.957 -6.524 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.151 -7.785 -6.226 1.00 0.00 O ATOM 159 OE2 GLU A 11 6.178 -9.385 -7.238 1.00 0.00 O ATOM 0 H GLU A 11 4.578 -11.345 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 11 5.493 -8.746 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.762 -10.026 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.158 -8.404 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.783 -10.885 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.534 -10.194 -6.725 1.00 0.00 H new ATOM 166 N PHE A 12 3.098 -9.023 -1.662 1.00 0.00 N ATOM 167 CA PHE A 12 2.460 -8.310 -0.566 1.00 0.00 C ATOM 168 C PHE A 12 3.511 -7.854 0.456 1.00 0.00 C ATOM 169 O PHE A 12 3.481 -6.719 0.934 1.00 0.00 O ATOM 170 CB PHE A 12 1.378 -9.222 0.066 1.00 0.00 C ATOM 171 CG PHE A 12 1.638 -9.448 1.539 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.502 -8.390 2.440 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.025 -10.712 1.996 1.00 0.00 C ATOM 174 CE1 PHE A 12 1.749 -8.598 3.801 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.271 -10.920 3.352 1.00 0.00 C ATOM 176 CZ PHE A 12 2.134 -9.865 4.256 1.00 0.00 C ATOM 0 H PHE A 12 2.815 -9.998 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 12 1.970 -7.409 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.396 -8.769 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.359 -10.180 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.207 -7.413 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.133 -11.528 1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.643 -7.782 4.500 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.568 -11.897 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.325 -10.026 5.307 1.00 0.00 H new ATOM 186 N LYS A 13 4.435 -8.751 0.781 1.00 0.00 N ATOM 187 CA LYS A 13 5.485 -8.438 1.731 1.00 0.00 C ATOM 188 C LYS A 13 6.403 -7.357 1.173 1.00 0.00 C ATOM 189 O LYS A 13 6.859 -6.478 1.904 1.00 0.00 O ATOM 190 CB LYS A 13 6.291 -9.702 2.047 1.00 0.00 C ATOM 191 CG LYS A 13 7.347 -9.406 3.135 1.00 0.00 C ATOM 192 CD LYS A 13 8.728 -9.195 2.494 1.00 0.00 C ATOM 193 CE LYS A 13 9.397 -10.545 2.223 1.00 0.00 C ATOM 194 NZ LYS A 13 10.716 -10.302 1.575 1.00 0.00 N ATOM 0 H LYS A 13 4.475 -9.696 0.400 1.00 0.00 H new ATOM 0 HA LYS A 13 5.030 -8.065 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.622 -10.493 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.781 -10.064 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.060 -8.518 3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.390 -10.233 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.623 -8.639 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.356 -8.596 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.529 -11.095 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.766 -11.157 1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.182 -11.212 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.574 -9.792 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.314 -9.732 2.207 1.00 0.00 H new ATOM 208 N GLU A 14 6.666 -7.424 -0.130 1.00 0.00 N ATOM 209 CA GLU A 14 7.525 -6.440 -0.776 1.00 0.00 C ATOM 210 C GLU A 14 6.878 -5.057 -0.732 1.00 0.00 C ATOM 211 O GLU A 14 7.461 -4.102 -0.217 1.00 0.00 O ATOM 212 CB GLU A 14 7.770 -6.842 -2.235 1.00 0.00 C ATOM 213 CG GLU A 14 8.698 -8.063 -2.292 1.00 0.00 C ATOM 214 CD GLU A 14 8.895 -8.516 -3.738 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.383 -7.854 -4.622 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.553 -9.526 -3.937 1.00 0.00 O ATOM 0 H GLU A 14 6.299 -8.144 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 14 8.475 -6.404 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.822 -7.072 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.215 -6.010 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.662 -7.816 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.275 -8.877 -1.704 1.00 0.00 H new ATOM 223 N ALA A 15 5.663 -4.961 -1.264 1.00 0.00 N ATOM 224 CA ALA A 15 4.946 -3.691 -1.275 1.00 0.00 C ATOM 225 C ALA A 15 4.855 -3.128 0.141 1.00 0.00 C ATOM 226 O ALA A 15 5.094 -1.937 0.370 1.00 0.00 O ATOM 227 CB ALA A 15 3.544 -3.896 -1.857 1.00 0.00 C ATOM 0 H ALA A 15 5.159 -5.739 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 15 5.488 -2.978 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.010 -2.946 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.625 -4.274 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.998 -4.614 -1.246 1.00 0.00 H new ATOM 233 N PHE A 16 4.530 -3.992 1.094 1.00 0.00 N ATOM 234 CA PHE A 16 4.429 -3.566 2.483 1.00 0.00 C ATOM 235 C PHE A 16 5.746 -2.939 2.955 1.00 0.00 C ATOM 236 O PHE A 16 5.761 -1.833 3.496 1.00 0.00 O ATOM 237 CB PHE A 16 4.056 -4.786 3.360 1.00 0.00 C ATOM 238 CG PHE A 16 4.717 -4.688 4.718 1.00 0.00 C ATOM 239 CD1 PHE A 16 6.014 -5.185 4.875 1.00 0.00 C ATOM 240 CD2 PHE A 16 4.060 -4.087 5.796 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.656 -5.085 6.110 1.00 0.00 C ATOM 242 CE2 PHE A 16 4.708 -3.982 7.033 1.00 0.00 C ATOM 243 CZ PHE A 16 6.007 -4.483 7.187 1.00 0.00 C ATOM 0 H PHE A 16 4.334 -4.980 0.934 1.00 0.00 H new ATOM 0 HA PHE A 16 3.652 -2.807 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.974 -4.838 3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.366 -5.706 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.520 -5.647 4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.057 -3.705 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.656 -5.474 6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.206 -3.515 7.868 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.506 -4.403 8.141 1.00 0.00 H new ATOM 253 N SER A 17 6.839 -3.657 2.748 1.00 0.00 N ATOM 254 CA SER A 17 8.150 -3.179 3.167 1.00 0.00 C ATOM 255 C SER A 17 8.442 -1.791 2.605 1.00 0.00 C ATOM 256 O SER A 17 9.096 -0.977 3.257 1.00 0.00 O ATOM 257 CB SER A 17 9.235 -4.155 2.699 1.00 0.00 C ATOM 258 OG SER A 17 9.133 -5.363 3.444 1.00 0.00 O ATOM 0 H SER A 17 6.846 -4.570 2.294 1.00 0.00 H new ATOM 0 HA SER A 17 8.151 -3.117 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.121 -4.360 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.222 -3.712 2.835 1.00 0.00 H new ATOM 0 HG SER A 17 8.413 -5.916 3.074 1.00 0.00 H new ATOM 264 N LEU A 18 7.966 -1.526 1.394 1.00 0.00 N ATOM 265 CA LEU A 18 8.199 -0.224 0.761 1.00 0.00 C ATOM 266 C LEU A 18 7.473 0.889 1.508 1.00 0.00 C ATOM 267 O LEU A 18 8.020 1.972 1.711 1.00 0.00 O ATOM 268 CB LEU A 18 7.720 -0.255 -0.692 1.00 0.00 C ATOM 269 CG LEU A 18 8.578 -1.237 -1.508 1.00 0.00 C ATOM 270 CD1 LEU A 18 7.983 -1.392 -2.915 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.027 -0.729 -1.620 1.00 0.00 C ATOM 0 H LEU A 18 7.423 -2.182 0.833 1.00 0.00 H new ATOM 0 HA LEU A 18 9.270 -0.023 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.673 -0.554 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.783 0.743 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 18 8.583 -2.201 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.591 -2.088 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.966 -1.776 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.969 -0.423 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.617 -1.438 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.035 0.242 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.456 -0.631 -0.623 1.00 0.00 H new ATOM 283 N PHE A 19 6.231 0.625 1.898 1.00 0.00 N ATOM 284 CA PHE A 19 5.446 1.632 2.605 1.00 0.00 C ATOM 285 C PHE A 19 5.912 1.810 4.047 1.00 0.00 C ATOM 286 O PHE A 19 6.087 2.931 4.500 1.00 0.00 O ATOM 287 CB PHE A 19 3.970 1.253 2.596 1.00 0.00 C ATOM 288 CG PHE A 19 3.498 1.096 1.169 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.566 2.173 0.275 1.00 0.00 C ATOM 290 CD2 PHE A 19 2.993 -0.135 0.739 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.132 2.012 -1.044 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.562 -0.294 -0.576 1.00 0.00 C ATOM 293 CZ PHE A 19 2.630 0.779 -1.471 1.00 0.00 C ATOM 0 H PHE A 19 5.752 -0.262 1.741 1.00 0.00 H new ATOM 0 HA PHE A 19 5.590 2.577 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.819 0.323 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.384 2.020 3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.953 3.126 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.937 -0.965 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.185 2.841 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.175 -1.247 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.295 0.655 -2.490 1.00 0.00 H new ATOM 303 N ASP A 20 6.101 0.709 4.767 1.00 0.00 N ATOM 304 CA ASP A 20 6.537 0.795 6.159 1.00 0.00 C ATOM 305 C ASP A 20 7.912 1.463 6.266 1.00 0.00 C ATOM 306 O ASP A 20 8.907 0.808 6.585 1.00 0.00 O ATOM 307 CB ASP A 20 6.601 -0.607 6.768 1.00 0.00 C ATOM 308 CG ASP A 20 6.893 -0.518 8.261 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.323 0.533 8.701 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.679 -1.500 8.948 1.00 0.00 O ATOM 0 H ASP A 20 5.962 -0.240 4.418 1.00 0.00 H new ATOM 0 HA ASP A 20 5.815 1.403 6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.656 -1.126 6.605 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.376 -1.192 6.272 1.00 0.00 H new ATOM 315 N LYS A 21 7.962 2.765 5.991 1.00 0.00 N ATOM 316 CA LYS A 21 9.227 3.494 6.058 1.00 0.00 C ATOM 317 C LYS A 21 9.853 3.337 7.438 1.00 0.00 C ATOM 318 O LYS A 21 11.045 3.044 7.554 1.00 0.00 O ATOM 319 CB LYS A 21 9.014 4.988 5.762 1.00 0.00 C ATOM 320 CG LYS A 21 8.020 5.188 4.608 1.00 0.00 C ATOM 321 CD LYS A 21 8.414 4.351 3.377 1.00 0.00 C ATOM 322 CE LYS A 21 9.796 4.778 2.875 1.00 0.00 C ATOM 323 NZ LYS A 21 9.996 4.270 1.488 1.00 0.00 N ATOM 0 H LYS A 21 7.155 3.329 5.724 1.00 0.00 H new ATOM 0 HA LYS A 21 9.896 3.077 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.643 5.490 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.968 5.451 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.019 4.908 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.983 6.243 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.423 3.292 3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.675 4.481 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.882 5.864 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.572 4.386 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.991 3.995 1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.385 3.444 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.752 5.017 0.806 1.00 0.00 H new ATOM 337 N ASP A 22 9.054 3.538 8.476 1.00 0.00 N ATOM 338 CA ASP A 22 9.560 3.427 9.834 1.00 0.00 C ATOM 339 C ASP A 22 10.061 2.006 10.081 1.00 0.00 C ATOM 340 O ASP A 22 10.836 1.758 11.005 1.00 0.00 O ATOM 341 CB ASP A 22 8.435 3.754 10.822 1.00 0.00 C ATOM 342 CG ASP A 22 7.628 4.944 10.320 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.192 5.774 9.633 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.450 5.002 10.628 1.00 0.00 O ATOM 0 H ASP A 22 8.065 3.776 8.405 1.00 0.00 H new ATOM 0 HA ASP A 22 10.384 4.127 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.784 2.888 10.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.855 3.977 11.803 1.00 0.00 H new ATOM 349 N GLY A 23 9.621 1.081 9.233 1.00 0.00 N ATOM 350 CA GLY A 23 10.034 -0.314 9.347 1.00 0.00 C ATOM 351 C GLY A 23 9.767 -0.871 10.741 1.00 0.00 C ATOM 352 O GLY A 23 10.575 -1.637 11.270 1.00 0.00 O ATOM 0 H GLY A 23 8.981 1.271 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.501 -0.912 8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.097 -0.398 9.119 1.00 0.00 H new ATOM 356 N ASP A 24 8.639 -0.489 11.340 1.00 0.00 N ATOM 357 CA ASP A 24 8.302 -0.971 12.682 1.00 0.00 C ATOM 358 C ASP A 24 7.435 -2.233 12.617 1.00 0.00 C ATOM 359 O ASP A 24 7.242 -2.915 13.624 1.00 0.00 O ATOM 360 CB ASP A 24 7.575 0.129 13.467 1.00 0.00 C ATOM 361 CG ASP A 24 6.138 0.291 12.974 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.834 -0.212 11.910 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.363 0.917 13.672 1.00 0.00 O ATOM 0 H ASP A 24 7.952 0.142 10.927 1.00 0.00 H new ATOM 0 HA ASP A 24 9.230 -1.226 13.194 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.574 -0.117 14.529 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.110 1.073 13.359 1.00 0.00 H new ATOM 368 N GLY A 25 6.920 -2.538 11.426 1.00 0.00 N ATOM 369 CA GLY A 25 6.079 -3.724 11.234 1.00 0.00 C ATOM 370 C GLY A 25 4.653 -3.332 10.863 1.00 0.00 C ATOM 371 O GLY A 25 3.788 -4.191 10.683 1.00 0.00 O ATOM 0 H GLY A 25 7.068 -1.985 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.503 -4.351 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.070 -4.319 12.147 1.00 0.00 H new ATOM 375 N THR A 26 4.413 -2.028 10.750 1.00 0.00 N ATOM 376 CA THR A 26 3.090 -1.520 10.398 1.00 0.00 C ATOM 377 C THR A 26 3.215 -0.309 9.484 1.00 0.00 C ATOM 378 O THR A 26 4.223 0.399 9.509 1.00 0.00 O ATOM 379 CB THR A 26 2.336 -1.117 11.667 1.00 0.00 C ATOM 380 OG1 THR A 26 3.160 -0.260 12.451 1.00 0.00 O ATOM 381 CG2 THR A 26 1.967 -2.370 12.471 1.00 0.00 C ATOM 0 H THR A 26 5.117 -1.305 10.897 1.00 0.00 H new ATOM 0 HA THR A 26 2.542 -2.306 9.878 1.00 0.00 H new ATOM 0 HB THR A 26 1.421 -0.590 11.397 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.860 0.128 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.430 -2.078 13.374 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.333 -3.017 11.865 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.875 -2.906 12.746 1.00 0.00 H new ATOM 389 N ILE A 27 2.179 -0.066 8.683 1.00 0.00 N ATOM 390 CA ILE A 27 2.173 1.080 7.781 1.00 0.00 C ATOM 391 C ILE A 27 1.356 2.204 8.405 1.00 0.00 C ATOM 392 O ILE A 27 0.209 2.001 8.801 1.00 0.00 O ATOM 393 CB ILE A 27 1.571 0.692 6.429 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.488 -0.306 5.720 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.407 1.941 5.564 1.00 0.00 C ATOM 396 CD1 ILE A 27 1.756 -0.907 4.512 1.00 0.00 C ATOM 0 H ILE A 27 1.339 -0.644 8.641 1.00 0.00 H new ATOM 0 HA ILE A 27 3.198 1.414 7.621 1.00 0.00 H new ATOM 0 HB ILE A 27 0.596 0.231 6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.401 0.192 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.784 -1.097 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.978 1.663 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.745 2.647 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.381 2.405 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.410 -1.618 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.855 -1.419 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.482 -0.111 3.820 1.00 0.00 H new ATOM 408 N THR A 28 1.957 3.391 8.501 1.00 0.00 N ATOM 409 CA THR A 28 1.276 4.543 9.098 1.00 0.00 C ATOM 410 C THR A 28 0.896 5.567 8.034 1.00 0.00 C ATOM 411 O THR A 28 1.409 5.540 6.916 1.00 0.00 O ATOM 412 CB THR A 28 2.191 5.195 10.143 1.00 0.00 C ATOM 413 OG1 THR A 28 2.567 4.224 11.109 1.00 0.00 O ATOM 414 CG2 THR A 28 1.456 6.345 10.837 1.00 0.00 C ATOM 0 H THR A 28 2.905 3.580 8.177 1.00 0.00 H new ATOM 0 HA THR A 28 0.361 4.193 9.576 1.00 0.00 H new ATOM 0 HB THR A 28 3.080 5.586 9.648 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.217 3.606 10.715 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.113 6.802 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.168 7.092 10.097 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.564 5.961 11.331 1.00 0.00 H new ATOM 422 N THR A 29 -0.014 6.466 8.396 1.00 0.00 N ATOM 423 CA THR A 29 -0.476 7.497 7.473 1.00 0.00 C ATOM 424 C THR A 29 0.693 8.340 6.982 1.00 0.00 C ATOM 425 O THR A 29 0.746 8.744 5.820 1.00 0.00 O ATOM 426 CB THR A 29 -1.498 8.402 8.173 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.812 9.312 9.022 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.460 7.551 9.012 1.00 0.00 C ATOM 0 H THR A 29 -0.445 6.502 9.320 1.00 0.00 H new ATOM 0 HA THR A 29 -0.943 7.009 6.617 1.00 0.00 H new ATOM 0 HB THR A 29 -2.067 8.952 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.461 9.894 9.470 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.183 8.200 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.985 6.850 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.896 6.998 9.763 1.00 0.00 H new ATOM 436 N LYS A 30 1.622 8.608 7.882 1.00 0.00 N ATOM 437 CA LYS A 30 2.797 9.398 7.550 1.00 0.00 C ATOM 438 C LYS A 30 3.757 8.592 6.676 1.00 0.00 C ATOM 439 O LYS A 30 4.406 9.138 5.785 1.00 0.00 O ATOM 440 CB LYS A 30 3.494 9.842 8.835 1.00 0.00 C ATOM 441 CG LYS A 30 2.584 10.821 9.587 1.00 0.00 C ATOM 442 CD LYS A 30 3.174 11.124 10.969 1.00 0.00 C ATOM 443 CE LYS A 30 4.490 11.894 10.820 1.00 0.00 C ATOM 444 NZ LYS A 30 4.822 12.556 12.113 1.00 0.00 N ATOM 0 H LYS A 30 1.587 8.290 8.851 1.00 0.00 H new ATOM 0 HA LYS A 30 2.485 10.279 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.715 8.977 9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.446 10.318 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.478 11.744 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.586 10.395 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.465 11.709 11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.346 10.194 11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.291 11.215 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.401 12.639 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.715 13.080 12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.060 13.215 12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.923 11.835 12.856 1.00 0.00 H new ATOM 458 N GLU A 31 3.836 7.289 6.939 1.00 0.00 N ATOM 459 CA GLU A 31 4.716 6.412 6.167 1.00 0.00 C ATOM 460 C GLU A 31 4.270 6.360 4.706 1.00 0.00 C ATOM 461 O GLU A 31 4.984 6.807 3.803 1.00 0.00 O ATOM 462 CB GLU A 31 4.693 4.998 6.769 1.00 0.00 C ATOM 463 CG GLU A 31 5.558 4.949 8.033 1.00 0.00 C ATOM 464 CD GLU A 31 5.477 3.563 8.670 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.375 3.095 8.886 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.520 2.993 8.941 1.00 0.00 O ATOM 0 H GLU A 31 3.307 6.820 7.674 1.00 0.00 H new ATOM 0 HA GLU A 31 5.731 6.808 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.669 4.713 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.061 4.278 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.593 5.184 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.222 5.705 8.743 1.00 0.00 H new ATOM 473 N LEU A 32 3.077 5.826 4.487 1.00 0.00 N ATOM 474 CA LEU A 32 2.530 5.724 3.142 1.00 0.00 C ATOM 475 C LEU A 32 2.352 7.122 2.548 1.00 0.00 C ATOM 476 O LEU A 32 2.564 7.337 1.350 1.00 0.00 O ATOM 477 CB LEU A 32 1.185 4.935 3.185 1.00 0.00 C ATOM 478 CG LEU A 32 -0.033 5.819 2.818 1.00 0.00 C ATOM 479 CD1 LEU A 32 -1.238 4.931 2.496 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.362 6.771 3.992 1.00 0.00 C ATOM 0 H LEU A 32 2.471 5.458 5.220 1.00 0.00 H new ATOM 0 HA LEU A 32 3.219 5.177 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.239 4.093 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.042 4.521 4.183 1.00 0.00 H new ATOM 0 HG LEU A 32 0.206 6.418 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.093 5.557 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.997 4.282 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.484 4.322 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.219 7.391 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.597 6.185 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.498 7.409 4.195 1.00 0.00 H new ATOM 492 N GLY A 33 1.929 8.061 3.388 1.00 0.00 N ATOM 493 CA GLY A 33 1.700 9.420 2.926 1.00 0.00 C ATOM 494 C GLY A 33 2.960 10.012 2.333 1.00 0.00 C ATOM 495 O GLY A 33 2.916 10.670 1.290 1.00 0.00 O ATOM 0 H GLY A 33 1.741 7.907 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.906 9.425 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.360 10.038 3.757 1.00 0.00 H new ATOM 499 N THR A 34 4.078 9.771 2.995 1.00 0.00 N ATOM 500 CA THR A 34 5.350 10.283 2.521 1.00 0.00 C ATOM 501 C THR A 34 5.644 9.728 1.131 1.00 0.00 C ATOM 502 O THR A 34 6.038 10.469 0.229 1.00 0.00 O ATOM 503 CB THR A 34 6.469 9.879 3.485 1.00 0.00 C ATOM 504 OG1 THR A 34 6.216 10.443 4.762 1.00 0.00 O ATOM 505 CG2 THR A 34 7.813 10.385 2.958 1.00 0.00 C ATOM 0 H THR A 34 4.131 9.228 3.857 1.00 0.00 H new ATOM 0 HA THR A 34 5.298 11.371 2.471 1.00 0.00 H new ATOM 0 HB THR A 34 6.502 8.793 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.372 10.091 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.606 10.095 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.007 9.949 1.978 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.785 11.471 2.873 1.00 0.00 H new ATOM 513 N VAL A 35 5.439 8.425 0.952 1.00 0.00 N ATOM 514 CA VAL A 35 5.686 7.792 -0.344 1.00 0.00 C ATOM 515 C VAL A 35 4.826 8.433 -1.431 1.00 0.00 C ATOM 516 O VAL A 35 5.257 8.580 -2.573 1.00 0.00 O ATOM 517 CB VAL A 35 5.358 6.297 -0.258 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.666 5.610 -1.589 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.196 5.651 0.843 1.00 0.00 C ATOM 0 H VAL A 35 5.106 7.791 1.679 1.00 0.00 H new ATOM 0 HA VAL A 35 6.737 7.929 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 35 4.298 6.184 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.429 4.549 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.066 6.061 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.724 5.729 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.961 4.588 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.255 5.777 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.971 6.126 1.798 1.00 0.00 H new ATOM 529 N MET A 36 3.618 8.836 -1.063 1.00 0.00 N ATOM 530 CA MET A 36 2.726 9.478 -2.024 1.00 0.00 C ATOM 531 C MET A 36 3.270 10.839 -2.461 1.00 0.00 C ATOM 532 O MET A 36 3.200 11.196 -3.636 1.00 0.00 O ATOM 533 CB MET A 36 1.329 9.640 -1.417 1.00 0.00 C ATOM 534 CG MET A 36 0.665 8.271 -1.248 1.00 0.00 C ATOM 535 SD MET A 36 0.387 7.517 -2.874 1.00 0.00 S ATOM 536 CE MET A 36 1.660 6.236 -2.767 1.00 0.00 C ATOM 0 H MET A 36 3.236 8.733 -0.123 1.00 0.00 H new ATOM 0 HA MET A 36 2.663 8.840 -2.906 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.400 10.140 -0.451 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.716 10.273 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.296 7.623 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.283 8.379 -0.720 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.922 5.899 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.545 6.643 -2.278 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.281 5.394 -2.188 1.00 0.00 H new ATOM 546 N ARG A 37 3.808 11.600 -1.515 1.00 0.00 N ATOM 547 CA ARG A 37 4.355 12.915 -1.840 1.00 0.00 C ATOM 548 C ARG A 37 5.647 12.776 -2.654 1.00 0.00 C ATOM 549 O ARG A 37 5.816 13.422 -3.690 1.00 0.00 O ATOM 550 CB ARG A 37 4.616 13.705 -0.546 1.00 0.00 C ATOM 551 CG ARG A 37 4.362 15.202 -0.773 1.00 0.00 C ATOM 552 CD ARG A 37 5.285 15.717 -1.878 1.00 0.00 C ATOM 553 NE ARG A 37 5.324 17.173 -1.853 1.00 0.00 N ATOM 554 CZ ARG A 37 4.412 17.903 -2.490 1.00 0.00 C ATOM 555 NH1 ARG A 37 3.461 17.318 -3.168 1.00 0.00 N ATOM 556 NH2 ARG A 37 4.472 19.205 -2.438 1.00 0.00 N ATOM 0 H ARG A 37 3.878 11.337 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 37 3.630 13.458 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.969 13.336 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.644 13.550 -0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.320 15.367 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.539 15.755 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.289 15.315 -1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.932 15.371 -2.849 1.00 0.00 H new ATOM 0 HE ARG A 37 6.067 17.643 -1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.417 16.300 -3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.763 17.879 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.216 19.661 -1.910 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.774 19.768 -2.925 1.00 0.00 H new ATOM 570 N SER A 38 6.553 11.933 -2.173 1.00 0.00 N ATOM 571 CA SER A 38 7.827 11.726 -2.854 1.00 0.00 C ATOM 572 C SER A 38 7.601 11.388 -4.322 1.00 0.00 C ATOM 573 O SER A 38 8.467 11.630 -5.164 1.00 0.00 O ATOM 574 CB SER A 38 8.604 10.590 -2.183 1.00 0.00 C ATOM 575 OG SER A 38 8.988 10.990 -0.873 1.00 0.00 O ATOM 0 H SER A 38 6.432 11.385 -1.321 1.00 0.00 H new ATOM 0 HA SER A 38 8.404 12.649 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.988 9.692 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.486 10.340 -2.772 1.00 0.00 H new ATOM 0 HG SER A 38 8.209 10.957 -0.279 1.00 0.00 H new ATOM 581 N LEU A 39 6.430 10.834 -4.622 1.00 0.00 N ATOM 582 CA LEU A 39 6.097 10.469 -5.998 1.00 0.00 C ATOM 583 C LEU A 39 5.611 11.683 -6.786 1.00 0.00 C ATOM 584 O LEU A 39 5.600 11.666 -8.018 1.00 0.00 O ATOM 585 CB LEU A 39 5.025 9.379 -5.990 1.00 0.00 C ATOM 586 CG LEU A 39 5.634 8.060 -5.483 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.507 7.102 -5.091 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.500 7.405 -6.579 1.00 0.00 C ATOM 0 H LEU A 39 5.701 10.629 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 39 6.996 10.092 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.194 9.677 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.622 9.243 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 39 6.263 8.273 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.934 6.166 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.904 7.553 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.879 6.904 -5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.922 6.474 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.884 7.196 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.307 8.082 -6.858 1.00 0.00 H new ATOM 600 N GLY A 40 5.232 12.746 -6.074 1.00 0.00 N ATOM 601 CA GLY A 40 4.773 13.975 -6.724 1.00 0.00 C ATOM 602 C GLY A 40 3.252 14.040 -6.808 1.00 0.00 C ATOM 603 O GLY A 40 2.703 14.678 -7.706 1.00 0.00 O ATOM 0 H GLY A 40 5.234 12.781 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.143 14.838 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.195 14.034 -7.727 1.00 0.00 H new ATOM 607 N GLN A 41 2.574 13.378 -5.873 1.00 0.00 N ATOM 608 CA GLN A 41 1.110 13.373 -5.860 1.00 0.00 C ATOM 609 C GLN A 41 0.571 14.539 -5.027 1.00 0.00 C ATOM 610 O GLN A 41 0.910 14.692 -3.853 1.00 0.00 O ATOM 611 CB GLN A 41 0.601 12.046 -5.297 1.00 0.00 C ATOM 612 CG GLN A 41 0.938 10.912 -6.275 1.00 0.00 C ATOM 613 CD GLN A 41 0.484 9.567 -5.712 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.152 9.515 -4.661 1.00 0.00 O ATOM 615 NE2 GLN A 41 0.780 8.467 -6.351 1.00 0.00 N ATOM 0 H GLN A 41 3.008 12.843 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 41 0.753 13.490 -6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.058 11.851 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.476 12.095 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.452 11.094 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.012 10.891 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.308 8.510 -7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.484 7.565 -5.978 1.00 0.00 H new ATOM 624 N ASN A 42 -0.257 15.369 -5.663 1.00 0.00 N ATOM 625 CA ASN A 42 -0.831 16.545 -5.003 1.00 0.00 C ATOM 626 C ASN A 42 -1.174 16.255 -3.534 1.00 0.00 C ATOM 627 O ASN A 42 -1.421 15.105 -3.172 1.00 0.00 O ATOM 628 CB ASN A 42 -2.098 16.982 -5.750 1.00 0.00 C ATOM 629 CG ASN A 42 -1.911 16.777 -7.247 1.00 0.00 C ATOM 630 OD1 ASN A 42 -0.710 16.804 -7.751 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 -2.885 16.587 -7.977 1.00 0.00 N flip ATOM 0 H ASN A 42 -0.546 15.250 -6.634 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.089 17.343 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.955 16.407 -5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.311 18.030 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.824 16.566 -7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.752 16.450 -8.979 1.00 0.00 H new ATOM 638 N PRO A 43 -1.211 17.266 -2.686 1.00 0.00 N ATOM 639 CA PRO A 43 -1.551 17.075 -1.242 1.00 0.00 C ATOM 640 C PRO A 43 -2.852 16.287 -1.059 1.00 0.00 C ATOM 641 O PRO A 43 -3.863 16.578 -1.699 1.00 0.00 O ATOM 642 CB PRO A 43 -1.691 18.511 -0.701 1.00 0.00 C ATOM 643 CG PRO A 43 -0.888 19.367 -1.627 1.00 0.00 C ATOM 644 CD PRO A 43 -0.924 18.683 -2.998 1.00 0.00 C ATOM 0 HA PRO A 43 -0.793 16.495 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.735 18.824 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.320 18.583 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.305 20.372 -1.685 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.137 19.467 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.693 19.114 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.025 18.791 -3.523 1.00 0.00 H new ATOM 652 N THR A 44 -2.814 15.296 -0.174 1.00 0.00 N ATOM 653 CA THR A 44 -3.990 14.475 0.096 1.00 0.00 C ATOM 654 C THR A 44 -3.750 13.589 1.317 1.00 0.00 C ATOM 655 O THR A 44 -4.373 12.540 1.471 1.00 0.00 O ATOM 656 CB THR A 44 -4.319 13.611 -1.128 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.443 12.791 -0.839 1.00 0.00 O ATOM 658 CG2 THR A 44 -3.121 12.729 -1.483 1.00 0.00 C ATOM 0 H THR A 44 -1.987 15.042 0.366 1.00 0.00 H new ATOM 0 HA THR A 44 -4.835 15.131 0.303 1.00 0.00 H new ATOM 0 HB THR A 44 -4.546 14.260 -1.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.270 12.275 -0.024 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.363 12.119 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.260 13.358 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.884 12.080 -0.640 1.00 0.00 H new ATOM 666 N GLU A 45 -2.852 14.035 2.189 1.00 0.00 N ATOM 667 CA GLU A 45 -2.535 13.290 3.406 1.00 0.00 C ATOM 668 C GLU A 45 -3.791 13.089 4.253 1.00 0.00 C ATOM 669 O GLU A 45 -3.830 12.235 5.145 1.00 0.00 O ATOM 670 CB GLU A 45 -1.469 14.049 4.211 1.00 0.00 C ATOM 671 CG GLU A 45 -2.008 15.426 4.617 1.00 0.00 C ATOM 672 CD GLU A 45 -0.932 16.211 5.363 1.00 0.00 C ATOM 673 OE1 GLU A 45 -0.229 15.609 6.157 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.823 17.402 5.123 1.00 0.00 O ATOM 0 H GLU A 45 -2.332 14.905 2.078 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.147 12.309 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.196 13.479 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.563 14.164 3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.323 15.977 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.888 15.309 5.249 1.00 0.00 H new ATOM 681 N ALA A 46 -4.827 13.860 3.946 1.00 0.00 N ATOM 682 CA ALA A 46 -6.092 13.751 4.667 1.00 0.00 C ATOM 683 C ALA A 46 -6.904 12.570 4.139 1.00 0.00 C ATOM 684 O ALA A 46 -7.523 11.827 4.905 1.00 0.00 O ATOM 685 CB ALA A 46 -6.889 15.047 4.506 1.00 0.00 C ATOM 0 H ALA A 46 -4.818 14.564 3.208 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.884 13.585 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.833 14.963 5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.314 15.880 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.089 15.222 3.449 1.00 0.00 H new ATOM 691 N GLU A 47 -6.887 12.407 2.821 1.00 0.00 N ATOM 692 CA GLU A 47 -7.615 11.322 2.177 1.00 0.00 C ATOM 693 C GLU A 47 -7.073 9.975 2.669 1.00 0.00 C ATOM 694 O GLU A 47 -7.835 9.053 2.960 1.00 0.00 O ATOM 695 CB GLU A 47 -7.452 11.441 0.649 1.00 0.00 C ATOM 696 CG GLU A 47 -8.601 10.730 -0.076 1.00 0.00 C ATOM 697 CD GLU A 47 -9.874 11.572 -0.010 1.00 0.00 C ATOM 698 OE1 GLU A 47 -9.799 12.694 0.464 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.905 11.084 -0.444 1.00 0.00 O ATOM 0 H GLU A 47 -6.377 13.013 2.178 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.674 11.384 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.429 12.492 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.500 11.007 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.328 10.552 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.778 9.755 0.378 1.00 0.00 H new ATOM 706 N LEU A 48 -5.751 9.885 2.774 1.00 0.00 N ATOM 707 CA LEU A 48 -5.102 8.664 3.248 1.00 0.00 C ATOM 708 C LEU A 48 -5.500 8.390 4.698 1.00 0.00 C ATOM 709 O LEU A 48 -5.960 7.301 5.032 1.00 0.00 O ATOM 710 CB LEU A 48 -3.580 8.839 3.156 1.00 0.00 C ATOM 711 CG LEU A 48 -3.083 8.570 1.717 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.001 9.269 0.696 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.635 9.089 1.543 1.00 0.00 C ATOM 0 H LEU A 48 -5.108 10.641 2.538 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.416 7.822 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.307 9.850 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.088 8.156 3.849 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.103 7.494 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.640 9.071 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.017 8.887 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.997 10.344 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.298 8.893 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.608 10.162 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.978 8.578 2.247 1.00 0.00 H new ATOM 725 N GLN A 49 -5.313 9.391 5.552 1.00 0.00 N ATOM 726 CA GLN A 49 -5.657 9.239 6.961 1.00 0.00 C ATOM 727 C GLN A 49 -7.065 8.675 7.110 1.00 0.00 C ATOM 728 O GLN A 49 -7.337 7.883 8.012 1.00 0.00 O ATOM 729 CB GLN A 49 -5.574 10.600 7.661 1.00 0.00 C ATOM 730 CG GLN A 49 -4.108 10.976 7.896 1.00 0.00 C ATOM 731 CD GLN A 49 -4.010 12.416 8.386 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.727 12.810 9.303 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.159 13.229 7.825 1.00 0.00 N ATOM 0 H GLN A 49 -4.931 10.302 5.299 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.951 8.546 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.061 11.362 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.106 10.563 8.612 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.665 10.303 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.541 10.858 6.972 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.565 12.900 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.087 14.194 8.147 1.00 0.00 H new ATOM 742 N ASP A 50 -7.952 9.090 6.216 1.00 0.00 N ATOM 743 CA ASP A 50 -9.334 8.626 6.253 1.00 0.00 C ATOM 744 C ASP A 50 -9.428 7.141 5.906 1.00 0.00 C ATOM 745 O ASP A 50 -10.157 6.390 6.553 1.00 0.00 O ATOM 746 CB ASP A 50 -10.167 9.443 5.266 1.00 0.00 C ATOM 747 CG ASP A 50 -11.655 9.266 5.561 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.075 9.645 6.642 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.354 8.758 4.701 1.00 0.00 O ATOM 0 H ASP A 50 -7.743 9.743 5.461 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.718 8.760 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.897 10.497 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.950 9.126 4.246 1.00 0.00 H new ATOM 754 N MET A 51 -8.698 6.723 4.870 1.00 0.00 N ATOM 755 CA MET A 51 -8.730 5.324 4.444 1.00 0.00 C ATOM 756 C MET A 51 -8.218 4.403 5.548 1.00 0.00 C ATOM 757 O MET A 51 -8.874 3.430 5.907 1.00 0.00 O ATOM 758 CB MET A 51 -7.861 5.146 3.199 1.00 0.00 C ATOM 759 CG MET A 51 -8.487 5.909 2.032 1.00 0.00 C ATOM 760 SD MET A 51 -7.396 5.809 0.589 1.00 0.00 S ATOM 761 CE MET A 51 -8.099 7.192 -0.348 1.00 0.00 C ATOM 0 H MET A 51 -8.086 7.324 4.318 1.00 0.00 H new ATOM 0 HA MET A 51 -9.764 5.060 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.853 5.514 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.773 4.088 2.951 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.464 5.490 1.792 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.647 6.951 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.095 6.951 -1.411 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.123 7.370 -0.020 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.502 8.088 -0.177 1.00 0.00 H new ATOM 771 N ILE A 52 -7.053 4.727 6.095 1.00 0.00 N ATOM 772 CA ILE A 52 -6.482 3.916 7.164 1.00 0.00 C ATOM 773 C ILE A 52 -7.368 3.974 8.407 1.00 0.00 C ATOM 774 O ILE A 52 -7.616 2.957 9.055 1.00 0.00 O ATOM 775 CB ILE A 52 -5.064 4.394 7.493 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.147 4.074 6.307 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.552 3.675 8.744 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.773 4.706 6.518 1.00 0.00 C ATOM 0 H ILE A 52 -6.492 5.533 5.822 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.429 2.881 6.827 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.072 5.468 7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.046 2.994 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.590 4.448 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.543 4.018 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.210 3.894 9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.537 2.600 8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.131 4.472 5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.879 5.787 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.327 4.311 7.431 1.00 0.00 H new ATOM 790 N ASN A 53 -7.842 5.172 8.725 1.00 0.00 N ATOM 791 CA ASN A 53 -8.699 5.369 9.887 1.00 0.00 C ATOM 792 C ASN A 53 -9.858 4.370 9.881 1.00 0.00 C ATOM 793 O ASN A 53 -10.347 3.969 10.938 1.00 0.00 O ATOM 794 CB ASN A 53 -9.249 6.805 9.885 1.00 0.00 C ATOM 795 CG ASN A 53 -8.218 7.768 10.467 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.001 7.355 10.682 1.00 0.00 O flip ATOM 797 ND2 ASN A 53 -8.530 8.931 10.727 1.00 0.00 N flip ATOM 0 H ASN A 53 -7.648 6.021 8.195 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.108 5.205 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.502 7.103 8.868 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.169 6.850 10.468 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.483 9.253 10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.835 9.572 11.111 1.00 0.00 H new ATOM 804 N GLU A 54 -10.308 3.984 8.687 1.00 0.00 N ATOM 805 CA GLU A 54 -11.421 3.041 8.560 1.00 0.00 C ATOM 806 C GLU A 54 -10.923 1.628 8.245 1.00 0.00 C ATOM 807 O GLU A 54 -11.442 0.647 8.781 1.00 0.00 O ATOM 808 CB GLU A 54 -12.369 3.514 7.450 1.00 0.00 C ATOM 809 CG GLU A 54 -13.036 4.827 7.877 1.00 0.00 C ATOM 810 CD GLU A 54 -13.914 5.367 6.751 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.960 4.736 5.708 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.524 6.404 6.948 1.00 0.00 O ATOM 0 H GLU A 54 -9.923 4.307 7.799 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.950 3.008 9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.817 3.659 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.126 2.755 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.639 4.663 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.274 5.562 8.137 1.00 0.00 H new ATOM 819 N VAL A 55 -9.928 1.523 7.364 1.00 0.00 N ATOM 820 CA VAL A 55 -9.391 0.216 6.980 1.00 0.00 C ATOM 821 C VAL A 55 -8.703 -0.487 8.155 1.00 0.00 C ATOM 822 O VAL A 55 -8.882 -1.691 8.348 1.00 0.00 O ATOM 823 CB VAL A 55 -8.403 0.372 5.817 1.00 0.00 C ATOM 824 CG1 VAL A 55 -7.736 -0.971 5.525 1.00 0.00 C ATOM 825 CG2 VAL A 55 -9.144 0.846 4.561 1.00 0.00 C ATOM 0 H VAL A 55 -9.481 2.318 6.907 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.231 -0.404 6.667 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.647 1.107 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.035 -0.857 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.200 -1.311 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.497 -1.704 5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.436 0.954 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.905 0.114 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.619 1.807 4.760 1.00 0.00 H new ATOM 835 N ASP A 56 -7.909 0.253 8.929 1.00 0.00 N ATOM 836 CA ASP A 56 -7.200 -0.341 10.067 1.00 0.00 C ATOM 837 C ASP A 56 -8.103 -1.322 10.819 1.00 0.00 C ATOM 838 O ASP A 56 -9.270 -1.035 11.080 1.00 0.00 O ATOM 839 CB ASP A 56 -6.715 0.760 11.011 1.00 0.00 C ATOM 840 CG ASP A 56 -5.933 0.151 12.170 1.00 0.00 C ATOM 841 OD1 ASP A 56 -5.907 -1.063 12.272 1.00 0.00 O ATOM 842 OD2 ASP A 56 -5.370 0.906 12.938 1.00 0.00 O ATOM 0 H ASP A 56 -7.741 1.250 8.794 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.339 -0.892 9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.085 1.464 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.566 1.323 11.393 1.00 0.00 H new ATOM 847 N ALA A 57 -7.551 -2.492 11.141 1.00 0.00 N ATOM 848 CA ALA A 57 -8.308 -3.529 11.840 1.00 0.00 C ATOM 849 C ALA A 57 -8.614 -3.147 13.289 1.00 0.00 C ATOM 850 O ALA A 57 -9.736 -3.338 13.761 1.00 0.00 O ATOM 851 CB ALA A 57 -7.529 -4.844 11.812 1.00 0.00 C ATOM 0 H ALA A 57 -6.586 -2.744 10.930 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.260 -3.643 11.321 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.097 -5.614 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.368 -5.150 10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.566 -4.707 12.304 1.00 0.00 H new ATOM 857 N ASP A 58 -7.615 -2.623 14.001 1.00 0.00 N ATOM 858 CA ASP A 58 -7.797 -2.237 15.406 1.00 0.00 C ATOM 859 C ASP A 58 -8.083 -0.742 15.540 1.00 0.00 C ATOM 860 O ASP A 58 -8.175 -0.219 16.653 1.00 0.00 O ATOM 861 CB ASP A 58 -6.537 -2.582 16.208 1.00 0.00 C ATOM 862 CG ASP A 58 -6.380 -4.094 16.320 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.334 -4.793 16.034 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.307 -4.531 16.697 1.00 0.00 O ATOM 0 H ASP A 58 -6.678 -2.456 13.634 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.652 -2.790 15.796 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.660 -2.153 15.723 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.599 -2.141 17.203 1.00 0.00 H new ATOM 869 N GLY A 59 -8.205 -0.051 14.411 1.00 0.00 N ATOM 870 CA GLY A 59 -8.467 1.388 14.440 1.00 0.00 C ATOM 871 C GLY A 59 -7.328 2.110 15.153 1.00 0.00 C ATOM 872 O GLY A 59 -7.508 3.198 15.702 1.00 0.00 O ATOM 0 H GLY A 59 -8.129 -0.454 13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.570 1.768 13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.410 1.584 14.951 1.00 0.00 H new ATOM 876 N ASN A 60 -6.158 1.478 15.148 1.00 0.00 N ATOM 877 CA ASN A 60 -4.979 2.030 15.799 1.00 0.00 C ATOM 878 C ASN A 60 -4.426 3.197 14.996 1.00 0.00 C ATOM 879 O ASN A 60 -3.707 4.048 15.526 1.00 0.00 O ATOM 880 CB ASN A 60 -3.914 0.936 15.919 1.00 0.00 C ATOM 881 CG ASN A 60 -4.357 -0.130 16.922 1.00 0.00 C ATOM 882 OD1 ASN A 60 -5.347 0.112 17.739 1.00 0.00 O flip ATOM 883 ND2 ASN A 60 -3.789 -1.222 16.958 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.003 0.577 14.696 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.254 2.390 16.790 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.742 0.479 14.945 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.968 1.374 16.238 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.015 -1.416 16.322 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.092 -1.933 17.624 1.00 0.00 H new ATOM 890 N GLY A 61 -4.763 3.228 13.711 1.00 0.00 N ATOM 891 CA GLY A 61 -4.299 4.288 12.821 1.00 0.00 C ATOM 892 C GLY A 61 -3.277 3.758 11.818 1.00 0.00 C ATOM 893 O GLY A 61 -2.768 4.506 10.982 1.00 0.00 O ATOM 0 H GLY A 61 -5.356 2.531 13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.148 4.716 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.854 5.091 13.408 1.00 0.00 H new ATOM 897 N THR A 62 -2.976 2.461 11.910 1.00 0.00 N ATOM 898 CA THR A 62 -2.010 1.831 11.009 1.00 0.00 C ATOM 899 C THR A 62 -2.564 0.521 10.458 1.00 0.00 C ATOM 900 O THR A 62 -3.573 0.002 10.944 1.00 0.00 O ATOM 901 CB THR A 62 -0.700 1.560 11.761 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.906 0.527 12.711 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.249 2.834 12.481 1.00 0.00 C ATOM 0 H THR A 62 -3.386 1.829 12.597 1.00 0.00 H new ATOM 0 HA THR A 62 -1.820 2.508 10.176 1.00 0.00 H new ATOM 0 HB THR A 62 0.069 1.254 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.069 0.352 13.191 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.681 2.640 13.015 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.090 3.628 11.751 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.017 3.142 13.191 1.00 0.00 H new ATOM 911 N ILE A 63 -1.886 -0.010 9.439 1.00 0.00 N ATOM 912 CA ILE A 63 -2.287 -1.267 8.805 1.00 0.00 C ATOM 913 C ILE A 63 -1.265 -2.354 9.100 1.00 0.00 C ATOM 914 O ILE A 63 -0.055 -2.129 9.032 1.00 0.00 O ATOM 915 CB ILE A 63 -2.423 -1.081 7.302 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.557 -0.095 7.026 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.752 -2.424 6.639 1.00 0.00 C ATOM 918 CD1 ILE A 63 -3.471 0.367 5.585 1.00 0.00 C ATOM 0 H ILE A 63 -1.052 0.414 9.033 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.252 -1.567 9.212 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.486 -0.700 6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.521 -0.568 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.486 0.759 7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.848 -2.284 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.952 -3.136 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.690 -2.808 7.040 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.277 1.071 5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.511 0.855 5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.563 -0.493 4.921 1.00 0.00 H new ATOM 930 N ASP A 64 -1.772 -3.520 9.456 1.00 0.00 N ATOM 931 CA ASP A 64 -0.910 -4.657 9.806 1.00 0.00 C ATOM 932 C ASP A 64 -0.522 -5.475 8.572 1.00 0.00 C ATOM 933 O ASP A 64 -0.988 -5.214 7.464 1.00 0.00 O ATOM 934 CB ASP A 64 -1.619 -5.561 10.819 1.00 0.00 C ATOM 935 CG ASP A 64 -1.730 -4.855 12.164 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.051 -3.861 12.343 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.489 -5.314 12.997 1.00 0.00 O ATOM 0 H ASP A 64 -2.772 -3.714 9.513 1.00 0.00 H new ATOM 0 HA ASP A 64 0.003 -4.255 10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.612 -5.821 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.067 -6.494 10.934 1.00 0.00 H new ATOM 942 N PHE A 65 0.352 -6.458 8.786 1.00 0.00 N ATOM 943 CA PHE A 65 0.842 -7.319 7.709 1.00 0.00 C ATOM 944 C PHE A 65 -0.311 -7.987 6.932 1.00 0.00 C ATOM 945 O PHE A 65 -0.495 -7.732 5.735 1.00 0.00 O ATOM 946 CB PHE A 65 1.771 -8.398 8.313 1.00 0.00 C ATOM 947 CG PHE A 65 3.220 -7.976 8.227 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.855 -7.919 6.984 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.928 -7.655 9.391 1.00 0.00 C ATOM 950 CE1 PHE A 65 5.196 -7.540 6.902 1.00 0.00 C ATOM 951 CE2 PHE A 65 5.268 -7.273 9.309 1.00 0.00 C ATOM 952 CZ PHE A 65 5.904 -7.214 8.065 1.00 0.00 C ATOM 0 H PHE A 65 0.738 -6.679 9.704 1.00 0.00 H new ATOM 0 HA PHE A 65 1.391 -6.701 6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.501 -8.574 9.354 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.631 -9.341 7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.308 -8.168 6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.438 -7.703 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.687 -7.498 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.814 -7.023 10.207 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.940 -6.917 8.001 1.00 0.00 H new ATOM 962 N PRO A 66 -1.057 -8.862 7.568 1.00 0.00 N ATOM 963 CA PRO A 66 -2.170 -9.607 6.901 1.00 0.00 C ATOM 964 C PRO A 66 -3.204 -8.686 6.259 1.00 0.00 C ATOM 965 O PRO A 66 -3.627 -8.903 5.122 1.00 0.00 O ATOM 966 CB PRO A 66 -2.794 -10.448 8.038 1.00 0.00 C ATOM 967 CG PRO A 66 -2.311 -9.828 9.309 1.00 0.00 C ATOM 968 CD PRO A 66 -0.941 -9.234 8.989 1.00 0.00 C ATOM 0 HA PRO A 66 -1.803 -10.214 6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.883 -10.434 7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.485 -11.491 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.000 -9.057 9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.239 -10.571 10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.721 -8.369 9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.141 -9.956 9.152 1.00 0.00 H new ATOM 976 N GLU A 67 -3.617 -7.669 6.998 1.00 0.00 N ATOM 977 CA GLU A 67 -4.616 -6.738 6.500 1.00 0.00 C ATOM 978 C GLU A 67 -4.262 -6.276 5.096 1.00 0.00 C ATOM 979 O GLU A 67 -5.092 -6.323 4.187 1.00 0.00 O ATOM 980 CB GLU A 67 -4.692 -5.534 7.433 1.00 0.00 C ATOM 981 CG GLU A 67 -5.312 -5.959 8.762 1.00 0.00 C ATOM 982 CD GLU A 67 -6.786 -6.292 8.563 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.487 -5.469 8.004 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.191 -7.370 8.964 1.00 0.00 O ATOM 0 H GLU A 67 -3.278 -7.468 7.939 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.582 -7.241 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.695 -5.125 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.289 -4.744 6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.784 -6.826 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.206 -5.159 9.495 1.00 0.00 H new ATOM 991 N PHE A 68 -3.024 -5.832 4.922 1.00 0.00 N ATOM 992 CA PHE A 68 -2.576 -5.363 3.622 1.00 0.00 C ATOM 993 C PHE A 68 -2.661 -6.487 2.597 1.00 0.00 C ATOM 994 O PHE A 68 -3.188 -6.309 1.497 1.00 0.00 O ATOM 995 CB PHE A 68 -1.135 -4.866 3.716 1.00 0.00 C ATOM 996 CG PHE A 68 -0.761 -4.184 2.422 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.451 -4.948 1.289 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.732 -2.786 2.351 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.111 -4.313 0.089 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -0.391 -2.152 1.151 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.081 -2.917 0.021 1.00 0.00 C ATOM 0 H PHE A 68 -2.320 -5.788 5.658 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.222 -4.544 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.030 -4.172 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.461 -5.701 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.474 -6.026 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.973 -2.196 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.128 -4.901 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.367 -1.074 1.097 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.182 -2.428 -0.905 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.152 -7.650 2.976 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.170 -8.807 2.087 1.00 0.00 C ATOM 1013 C LEU A 69 -3.586 -9.086 1.596 1.00 0.00 C ATOM 1014 O LEU A 69 -3.780 -9.655 0.523 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.602 -10.032 2.835 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.989 -11.359 2.131 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.858 -12.392 2.292 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.286 -11.933 2.737 1.00 0.00 C ATOM 0 H LEU A 69 -1.724 -7.819 3.886 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.550 -8.599 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.516 -9.953 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.976 -10.040 3.859 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.148 -11.151 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.139 -13.320 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.057 -12.003 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.690 -12.585 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.543 -12.864 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.137 -12.126 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.096 -11.215 2.609 1.00 0.00 H new ATOM 1030 N THR A 70 -4.578 -8.709 2.389 1.00 0.00 N ATOM 1031 CA THR A 70 -5.971 -8.947 2.022 1.00 0.00 C ATOM 1032 C THR A 70 -6.532 -7.825 1.146 1.00 0.00 C ATOM 1033 O THR A 70 -6.805 -8.020 -0.037 1.00 0.00 O ATOM 1034 CB THR A 70 -6.807 -9.078 3.291 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.232 -10.074 4.127 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.235 -9.476 2.925 1.00 0.00 C ATOM 0 H THR A 70 -4.449 -8.240 3.285 1.00 0.00 H new ATOM 0 HA THR A 70 -6.016 -9.868 1.441 1.00 0.00 H new ATOM 0 HB THR A 70 -6.826 -8.124 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.410 -9.727 4.532 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.831 -9.569 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.672 -8.713 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.223 -10.431 2.399 1.00 0.00 H new ATOM 1044 N MET A 71 -6.715 -6.652 1.741 1.00 0.00 N ATOM 1045 CA MET A 71 -7.264 -5.511 1.011 1.00 0.00 C ATOM 1046 C MET A 71 -6.580 -5.323 -0.339 1.00 0.00 C ATOM 1047 O MET A 71 -7.108 -4.637 -1.213 1.00 0.00 O ATOM 1048 CB MET A 71 -7.154 -4.227 1.852 1.00 0.00 C ATOM 1049 CG MET A 71 -5.738 -3.637 1.769 1.00 0.00 C ATOM 1050 SD MET A 71 -5.628 -2.178 2.837 1.00 0.00 S ATOM 1051 CE MET A 71 -5.723 -3.032 4.433 1.00 0.00 C ATOM 0 H MET A 71 -6.494 -6.465 2.719 1.00 0.00 H new ATOM 0 HA MET A 71 -8.317 -5.719 0.822 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.879 -3.493 1.500 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.401 -4.446 2.891 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.004 -4.382 2.076 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.505 -3.365 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.443 -2.344 5.231 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.742 -3.384 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 71 -5.041 -3.883 4.432 1.00 0.00 H new ATOM 1061 N MET A 72 -5.412 -5.935 -0.517 1.00 0.00 N ATOM 1062 CA MET A 72 -4.689 -5.820 -1.783 1.00 0.00 C ATOM 1063 C MET A 72 -5.113 -6.917 -2.771 1.00 0.00 C ATOM 1064 O MET A 72 -5.012 -6.743 -3.984 1.00 0.00 O ATOM 1065 CB MET A 72 -3.180 -5.873 -1.518 1.00 0.00 C ATOM 1066 CG MET A 72 -2.709 -7.323 -1.364 1.00 0.00 C ATOM 1067 SD MET A 72 -2.244 -7.989 -2.982 1.00 0.00 S ATOM 1068 CE MET A 72 -0.548 -7.362 -3.007 1.00 0.00 C ATOM 0 H MET A 72 -4.950 -6.509 0.188 1.00 0.00 H new ATOM 0 HA MET A 72 -4.937 -4.862 -2.241 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.644 -5.396 -2.339 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.944 -5.311 -0.615 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.859 -7.369 -0.683 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.502 -7.928 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.063 -7.662 -3.936 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.561 -6.274 -2.939 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.004 -7.771 -2.161 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.572 -8.048 -2.234 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.994 -9.180 -3.063 1.00 0.00 C ATOM 1080 C ALA A 73 -7.421 -8.993 -3.581 1.00 0.00 C ATOM 1081 O ALA A 73 -8.097 -9.966 -3.922 1.00 0.00 O ATOM 1082 CB ALA A 73 -5.926 -10.465 -2.241 1.00 0.00 C ATOM 0 H ALA A 73 -5.661 -8.206 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.322 -9.240 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.240 -11.308 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.903 -10.625 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.587 -10.380 -1.378 1.00 0.00 H new ATOM 1088 N ARG A 74 -7.872 -7.747 -3.636 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.222 -7.447 -4.114 1.00 0.00 C ATOM 1090 C ARG A 74 -9.208 -7.167 -5.614 1.00 0.00 C ATOM 1091 O ARG A 74 -10.231 -6.813 -6.204 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.778 -6.243 -3.354 1.00 0.00 C ATOM 1093 CG ARG A 74 -9.960 -6.622 -1.881 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.436 -5.405 -1.089 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.772 -5.006 -1.522 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.383 -3.948 -0.995 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -11.802 -3.253 -0.052 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.573 -3.607 -1.412 1.00 0.00 N ATOM 0 H ARG A 74 -7.329 -6.929 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.862 -8.311 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.099 -5.395 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.731 -5.934 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.684 -7.432 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.019 -6.989 -1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.446 -5.638 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.740 -4.578 -1.228 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.247 -5.549 -2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.877 -3.521 0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.274 -2.443 0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.033 -4.152 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.042 -2.796 -1.008 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.038 -7.340 -6.226 1.00 0.00 N ATOM 1113 CA LYS A 75 -7.875 -7.119 -7.666 1.00 0.00 C ATOM 1114 C LYS A 75 -6.989 -8.207 -8.281 1.00 0.00 C ATOM 1115 O LYS A 75 -6.040 -8.680 -7.653 1.00 0.00 O ATOM 1116 CB LYS A 75 -7.263 -5.737 -7.915 1.00 0.00 C ATOM 1117 CG LYS A 75 -5.948 -5.612 -7.142 1.00 0.00 C ATOM 1118 CD LYS A 75 -5.386 -4.198 -7.306 1.00 0.00 C ATOM 1119 CE LYS A 75 -4.045 -4.092 -6.576 1.00 0.00 C ATOM 1120 NZ LYS A 75 -4.255 -4.317 -5.118 1.00 0.00 N ATOM 0 H LYS A 75 -7.186 -7.633 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.856 -7.166 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.085 -5.593 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.957 -4.958 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.113 -5.828 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.229 -6.344 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.255 -3.968 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.089 -3.467 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.344 -4.827 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.604 -3.109 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.402 -4.032 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.065 -3.751 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.445 -5.325 -4.946 1.00 0.00 H new ATOM 1134 N MET A 76 -7.308 -8.594 -9.518 1.00 0.00 N ATOM 1135 CA MET A 76 -6.547 -9.624 -10.232 1.00 0.00 C ATOM 1136 C MET A 76 -5.863 -9.014 -11.453 1.00 0.00 C ATOM 1137 O MET A 76 -4.786 -9.453 -11.866 1.00 0.00 O ATOM 1138 CB MET A 76 -7.489 -10.746 -10.681 1.00 0.00 C ATOM 1139 CG MET A 76 -7.973 -11.536 -9.462 1.00 0.00 C ATOM 1140 SD MET A 76 -9.121 -12.828 -10.003 1.00 0.00 S ATOM 1141 CE MET A 76 -7.939 -13.822 -10.954 1.00 0.00 C ATOM 0 H MET A 76 -8.090 -8.209 -10.048 1.00 0.00 H new ATOM 0 HA MET A 76 -5.790 -10.032 -9.563 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.341 -10.326 -11.215 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.974 -11.410 -11.375 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.124 -11.982 -8.943 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.465 -10.869 -8.754 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.279 -14.857 -10.988 1.00 0.00 H new ATOM 0 HE2 MET A 76 -7.867 -13.430 -11.969 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.960 -13.777 -10.478 1.00 0.00 H new ATOM 1151 N LYS A 77 -6.505 -7.998 -12.024 1.00 0.00 N ATOM 1152 CA LYS A 77 -5.973 -7.315 -13.194 1.00 0.00 C ATOM 1153 C LYS A 77 -4.934 -6.275 -12.774 1.00 0.00 C ATOM 1154 O LYS A 77 -4.877 -5.973 -11.594 1.00 0.00 O ATOM 1155 CB LYS A 77 -7.116 -6.628 -13.953 1.00 0.00 C ATOM 1156 CG LYS A 77 -8.098 -7.691 -14.473 1.00 0.00 C ATOM 1157 CD LYS A 77 -9.225 -7.034 -15.289 1.00 0.00 C ATOM 1158 CE LYS A 77 -10.234 -6.341 -14.357 1.00 0.00 C ATOM 1159 NZ LYS A 77 -11.429 -5.922 -15.151 1.00 0.00 N ATOM 1160 OXT LYS A 77 -4.215 -5.800 -13.634 1.00 0.00 O ATOM 0 H LYS A 77 -7.397 -7.631 -11.692 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.494 -8.048 -13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.634 -5.929 -13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.717 -6.048 -14.785 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.566 -8.413 -15.093 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.523 -8.243 -13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.803 -6.307 -15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.734 -7.788 -15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.533 -7.018 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.774 -5.473 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.114 -5.453 -14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.135 -5.262 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.870 -6.759 -15.582 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -13.240 2.434 -8.406 1.00 0.00 N ATOM 1176 CA GLY B 45 -13.515 3.672 -9.190 1.00 0.00 C ATOM 1177 C GLY B 45 -12.400 4.684 -8.947 1.00 0.00 C ATOM 1178 O GLY B 45 -11.544 4.888 -9.805 1.00 0.00 O ATOM 0 HA2 GLY B 45 -13.582 3.436 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -14.476 4.095 -8.897 1.00 0.00 H new ATOM 1184 N THR B 46 -12.406 5.309 -7.768 1.00 0.00 N ATOM 1185 CA THR B 46 -11.375 6.292 -7.420 1.00 0.00 C ATOM 1186 C THR B 46 -10.877 6.053 -5.997 1.00 0.00 C ATOM 1187 O THR B 46 -11.582 5.478 -5.165 1.00 0.00 O ATOM 1188 CB THR B 46 -11.926 7.720 -7.535 1.00 0.00 C ATOM 1189 OG1 THR B 46 -12.912 7.928 -6.534 1.00 0.00 O ATOM 1190 CG2 THR B 46 -12.553 7.931 -8.916 1.00 0.00 C ATOM 0 H THR B 46 -13.106 5.155 -7.043 1.00 0.00 H new ATOM 0 HA THR B 46 -10.546 6.176 -8.118 1.00 0.00 H new ATOM 0 HB THR B 46 -11.109 8.429 -7.401 1.00 0.00 H new ATOM 0 HG1 THR B 46 -13.263 8.840 -6.605 1.00 0.00 H new ATOM 0 HG21 THR B 46 -12.941 8.947 -8.988 1.00 0.00 H new ATOM 0 HG22 THR B 46 -11.797 7.776 -9.686 1.00 0.00 H new ATOM 0 HG23 THR B 46 -13.367 7.221 -9.058 1.00 0.00 H new ATOM 1198 N GLY B 47 -9.651 6.497 -5.726 1.00 0.00 N ATOM 1199 CA GLY B 47 -9.058 6.331 -4.403 1.00 0.00 C ATOM 1200 C GLY B 47 -9.065 4.866 -3.977 1.00 0.00 C ATOM 1201 O GLY B 47 -8.964 3.968 -4.812 1.00 0.00 O ATOM 0 H GLY B 47 -9.053 6.972 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.034 6.706 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.610 6.927 -3.676 1.00 0.00 H new ATOM 1205 N ALA B 48 -9.189 4.643 -2.670 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.220 3.292 -2.102 1.00 0.00 C ATOM 1207 C ALA B 48 -8.381 2.298 -2.913 1.00 0.00 C ATOM 1208 O ALA B 48 -7.153 2.302 -2.834 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.668 2.808 -2.020 1.00 0.00 C ATOM 0 H ALA B 48 -9.270 5.387 -1.977 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.783 3.342 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.692 1.803 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.242 3.483 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.104 2.792 -3.019 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.053 1.443 -3.684 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.361 0.437 -4.491 1.00 0.00 C ATOM 1217 C ALA B 49 -7.397 1.088 -5.480 1.00 0.00 C ATOM 1218 O ALA B 49 -6.275 0.618 -5.672 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.386 -0.400 -5.257 1.00 0.00 C ATOM 0 H ALA B 49 -10.069 1.426 -3.767 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.785 -0.200 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.869 -1.149 -5.857 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.051 -0.897 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.970 0.248 -5.910 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.842 2.174 -6.101 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.015 2.887 -7.069 1.00 0.00 C ATOM 1227 C LEU B 50 -5.768 3.441 -6.390 1.00 0.00 C ATOM 1228 O LEU B 50 -4.666 3.376 -6.936 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.822 4.035 -7.685 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.961 4.829 -8.681 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -6.428 3.901 -9.782 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.818 5.936 -9.311 1.00 0.00 C ATOM 0 H LEU B 50 -8.766 2.579 -5.953 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.710 2.195 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.701 3.637 -8.192 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.181 4.698 -6.898 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.114 5.268 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -5.820 4.476 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -5.820 3.116 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -7.265 3.451 -10.315 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.215 6.504 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -8.664 5.489 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.184 6.602 -8.530 1.00 0.00 H new ATOM 1244 N SER B 51 -5.955 3.985 -5.191 1.00 0.00 N ATOM 1245 CA SER B 51 -4.848 4.552 -4.435 1.00 0.00 C ATOM 1246 C SER B 51 -3.804 3.485 -4.146 1.00 0.00 C ATOM 1247 O SER B 51 -2.603 3.706 -4.313 1.00 0.00 O ATOM 1248 CB SER B 51 -5.375 5.117 -3.117 1.00 0.00 C ATOM 1249 OG SER B 51 -4.301 5.682 -2.380 1.00 0.00 O ATOM 0 H SER B 51 -6.860 4.044 -4.725 1.00 0.00 H new ATOM 0 HA SER B 51 -4.387 5.346 -5.022 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.134 5.874 -3.312 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.853 4.328 -2.536 1.00 0.00 H new ATOM 0 HG SER B 51 -4.640 6.046 -1.535 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.277 2.327 -3.710 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.392 1.219 -3.395 1.00 0.00 C ATOM 1257 C TRP B 52 -2.745 0.668 -4.667 1.00 0.00 C ATOM 1258 O TRP B 52 -1.548 0.376 -4.691 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.185 0.114 -2.688 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.518 0.533 -1.287 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.774 0.693 -0.805 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.615 0.852 -0.183 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.700 1.082 0.522 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.393 1.194 0.951 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.213 0.875 -0.053 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.805 1.546 2.167 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.617 1.230 1.169 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.409 1.563 2.277 1.00 0.00 C ATOM 0 H TRP B 52 -5.268 2.132 -3.567 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.601 1.577 -2.735 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.101 -0.097 -3.240 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.603 -0.808 -2.671 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.685 0.542 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.513 1.264 1.111 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.592 0.618 -0.898 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -4.421 1.803 3.016 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.541 1.246 1.255 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.943 1.832 3.214 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.546 0.528 -5.722 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.043 0.003 -6.991 1.00 0.00 C ATOM 1281 C GLN B 53 -1.939 0.894 -7.564 1.00 0.00 C ATOM 1282 O GLN B 53 -0.870 0.407 -7.936 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.195 -0.097 -8.001 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.698 -0.760 -9.290 1.00 0.00 C ATOM 1285 CD GLN B 53 -4.849 -0.921 -10.280 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -6.015 -0.860 -9.896 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -4.585 -1.122 -11.541 1.00 0.00 N ATOM 0 H GLN B 53 -4.537 0.768 -5.725 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.623 -0.985 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.015 -0.676 -7.576 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.587 0.896 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.907 -0.157 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.266 -1.734 -9.063 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.617 -1.172 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.347 -1.229 -12.211 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.201 2.196 -7.639 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.218 3.135 -8.176 1.00 0.00 C ATOM 1298 C ALA B 54 0.022 3.198 -7.285 1.00 0.00 C ATOM 1299 O ALA B 54 1.144 3.330 -7.777 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.836 4.529 -8.299 1.00 0.00 C ATOM 0 H ALA B 54 -3.077 2.623 -7.338 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.917 2.783 -9.163 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.096 5.221 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.695 4.488 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.158 4.872 -7.316 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.187 3.108 -5.976 1.00 0.00 N ATOM 1307 CA ALA B 55 0.921 3.161 -5.028 1.00 0.00 C ATOM 1308 C ALA B 55 1.883 1.994 -5.245 1.00 0.00 C ATOM 1309 O ALA B 55 3.100 2.176 -5.277 1.00 0.00 O ATOM 1310 CB ALA B 55 0.377 3.119 -3.600 1.00 0.00 C ATOM 0 H ALA B 55 -1.107 2.999 -5.549 1.00 0.00 H new ATOM 0 HA ALA B 55 1.467 4.091 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.206 3.159 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.281 3.973 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.183 2.196 -3.451 1.00 0.00 H new ATOM 1316 N ILE B 56 1.324 0.798 -5.399 1.00 0.00 N ATOM 1317 CA ILE B 56 2.134 -0.397 -5.617 1.00 0.00 C ATOM 1318 C ILE B 56 2.905 -0.285 -6.931 1.00 0.00 C ATOM 1319 O ILE B 56 4.089 -0.615 -6.998 1.00 0.00 O ATOM 1320 CB ILE B 56 1.224 -1.632 -5.648 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.652 -1.878 -4.248 1.00 0.00 C ATOM 1322 CG2 ILE B 56 2.021 -2.862 -6.095 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.486 -2.898 -4.329 1.00 0.00 C ATOM 0 H ILE B 56 0.318 0.630 -5.377 1.00 0.00 H new ATOM 0 HA ILE B 56 2.851 -0.494 -4.802 1.00 0.00 H new ATOM 0 HB ILE B 56 0.411 -1.458 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.435 -2.244 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.286 -0.943 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.366 -3.733 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.425 -2.691 -7.093 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.840 -3.038 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.891 -3.071 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.273 -2.515 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.106 -3.836 -4.734 1.00 0.00 H new ATOM 1335 N ASP B 57 2.221 0.181 -7.970 1.00 0.00 N ATOM 1336 CA ASP B 57 2.845 0.330 -9.278 1.00 0.00 C ATOM 1337 C ASP B 57 4.010 1.318 -9.213 1.00 0.00 C ATOM 1338 O ASP B 57 5.093 1.055 -9.742 1.00 0.00 O ATOM 1339 CB ASP B 57 1.802 0.822 -10.283 1.00 0.00 C ATOM 1340 CG ASP B 57 0.817 -0.299 -10.600 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.106 -1.431 -10.249 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.213 -0.009 -11.185 1.00 0.00 O ATOM 0 H ASP B 57 1.241 0.460 -7.932 1.00 0.00 H new ATOM 0 HA ASP B 57 3.234 -0.638 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.269 1.682 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP B 57 2.294 1.155 -11.197 1.00 0.00 H new ATOM 1347 N ALA B 58 3.783 2.451 -8.557 1.00 0.00 N ATOM 1348 CA ALA B 58 4.822 3.464 -8.425 1.00 0.00 C ATOM 1349 C ALA B 58 5.946 2.969 -7.515 1.00 0.00 C ATOM 1350 O ALA B 58 7.125 3.191 -7.793 1.00 0.00 O ATOM 1351 CB ALA B 58 4.220 4.753 -7.858 1.00 0.00 C ATOM 0 H ALA B 58 2.897 2.689 -8.112 1.00 0.00 H new ATOM 0 HA ALA B 58 5.240 3.664 -9.412 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.001 5.507 -7.761 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.444 5.118 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.786 4.552 -6.878 1.00 0.00 H new ATOM 1357 N ALA B 59 5.571 2.287 -6.434 1.00 0.00 N ATOM 1358 CA ALA B 59 6.557 1.759 -5.497 1.00 0.00 C ATOM 1359 C ALA B 59 7.431 0.715 -6.186 1.00 0.00 C ATOM 1360 O ALA B 59 8.646 0.672 -5.986 1.00 0.00 O ATOM 1361 CB ALA B 59 5.842 1.129 -4.296 1.00 0.00 C ATOM 0 H ALA B 59 4.601 2.089 -6.188 1.00 0.00 H new ATOM 0 HA ALA B 59 7.191 2.575 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.581 0.736 -3.598 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.236 1.885 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.199 0.318 -4.639 1.00 0.00 H new ATOM 1367 N ARG B 60 6.802 -0.114 -7.011 1.00 0.00 N ATOM 1368 CA ARG B 60 7.516 -1.149 -7.744 1.00 0.00 C ATOM 1369 C ARG B 60 8.516 -0.534 -8.716 1.00 0.00 C ATOM 1370 O ARG B 60 9.647 -1.004 -8.839 1.00 0.00 O ATOM 1371 CB ARG B 60 6.507 -2.003 -8.509 1.00 0.00 C ATOM 1372 CG ARG B 60 5.713 -2.882 -7.526 1.00 0.00 C ATOM 1373 CD ARG B 60 6.446 -4.209 -7.318 1.00 0.00 C ATOM 1374 NE ARG B 60 6.487 -4.923 -8.586 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.183 -6.041 -8.740 1.00 0.00 C ATOM 1376 NH1 ARG B 60 7.920 -6.503 -7.766 1.00 0.00 N ATOM 1377 NH2 ARG B 60 7.143 -6.666 -9.884 1.00 0.00 N ATOM 0 H ARG B 60 5.798 -0.088 -7.188 1.00 0.00 H new ATOM 0 HA ARG B 60 8.068 -1.768 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.826 -1.362 -9.069 1.00 0.00 H new ATOM 0 HB3 ARG B 60 7.025 -2.630 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG B 60 5.597 -2.366 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG B 60 4.711 -3.065 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.457 -4.029 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.936 -4.808 -6.563 1.00 0.00 H new ATOM 0 HE ARG B 60 5.965 -4.552 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.963 -6.003 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG B 60 8.452 -7.364 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG B 60 6.580 -6.294 -10.649 1.00 0.00 H new ATOM 0 HH22 ARG B 60 7.674 -7.527 -10.014 1.00 0.00 H new ATOM 1391 N GLN B 61 8.095 0.525 -9.399 1.00 0.00 N ATOM 1392 CA GLN B 61 8.973 1.197 -10.349 1.00 0.00 C ATOM 1393 C GLN B 61 10.154 1.817 -9.610 1.00 0.00 C ATOM 1394 O GLN B 61 11.293 1.765 -10.078 1.00 0.00 O ATOM 1395 CB GLN B 61 8.199 2.282 -11.101 1.00 0.00 C ATOM 1396 CG GLN B 61 9.088 2.884 -12.195 1.00 0.00 C ATOM 1397 CD GLN B 61 8.304 3.916 -13.002 1.00 0.00 C ATOM 1398 OE1 GLN B 61 7.077 3.947 -12.946 1.00 0.00 O ATOM 1399 NE2 GLN B 61 8.946 4.766 -13.756 1.00 0.00 N ATOM 0 H GLN B 61 7.164 0.932 -9.315 1.00 0.00 H new ATOM 0 HA GLN B 61 9.345 0.467 -11.068 1.00 0.00 H new ATOM 0 HB2 GLN B 61 7.297 1.859 -11.543 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.879 3.061 -10.409 1.00 0.00 H new ATOM 0 HG2 GLN B 61 9.964 3.352 -11.746 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.451 2.095 -12.854 1.00 0.00 H new ATOM 0 HE21 GLN B 61 9.965 4.739 -13.802 1.00 0.00 H new ATOM 0 HE22 GLN B 61 8.429 5.457 -14.300 1.00 0.00 H new ATOM 1408 N ALA B 62 9.871 2.397 -8.447 1.00 0.00 N ATOM 1409 CA ALA B 62 10.912 3.020 -7.638 1.00 0.00 C ATOM 1410 C ALA B 62 11.925 1.978 -7.172 1.00 0.00 C ATOM 1411 O ALA B 62 13.135 2.186 -7.268 1.00 0.00 O ATOM 1412 CB ALA B 62 10.284 3.706 -6.423 1.00 0.00 C ATOM 0 H ALA B 62 8.935 2.448 -8.046 1.00 0.00 H new ATOM 0 HA ALA B 62 11.428 3.761 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.066 4.170 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.583 4.470 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.754 2.967 -5.821 1.00 0.00 H new ATOM 1418 N LYS B 63 11.419 0.852 -6.674 1.00 0.00 N ATOM 1419 CA LYS B 63 12.288 -0.220 -6.202 1.00 0.00 C ATOM 1420 C LYS B 63 13.130 -0.767 -7.350 1.00 0.00 C ATOM 1421 O LYS B 63 14.340 -0.954 -7.211 1.00 0.00 O ATOM 1422 CB LYS B 63 11.441 -1.349 -5.603 1.00 0.00 C ATOM 1423 CG LYS B 63 12.354 -2.445 -5.038 1.00 0.00 C ATOM 1424 CD LYS B 63 11.501 -3.564 -4.436 1.00 0.00 C ATOM 1425 CE LYS B 63 12.413 -4.646 -3.860 1.00 0.00 C ATOM 1426 NZ LYS B 63 11.581 -5.739 -3.283 1.00 0.00 N ATOM 0 H LYS B 63 10.421 0.660 -6.588 1.00 0.00 H new ATOM 0 HA LYS B 63 12.953 0.181 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.800 -0.955 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.786 -1.768 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.991 -2.844 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.013 -2.027 -4.277 1.00 0.00 H new ATOM 0 HD2 LYS B 63 10.856 -3.163 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.850 -3.990 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.063 -5.042 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS B 63 13.059 -4.221 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 12.200 -6.476 -2.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 10.978 -5.355 -2.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 10.983 -6.150 -4.028 1.00 0.00 H new ATOM 1440 N LEU B 64 12.482 -1.030 -8.478 1.00 0.00 N ATOM 1441 CA LEU B 64 13.180 -1.567 -9.642 1.00 0.00 C ATOM 1442 C LEU B 64 14.228 -0.580 -10.157 1.00 0.00 C ATOM 1443 O LEU B 64 15.346 -0.972 -10.493 1.00 0.00 O ATOM 1444 CB LEU B 64 12.169 -1.881 -10.754 1.00 0.00 C ATOM 1445 CG LEU B 64 12.894 -2.402 -12.008 1.00 0.00 C ATOM 1446 CD1 LEU B 64 13.732 -3.641 -11.659 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.855 -2.771 -13.075 1.00 0.00 C ATOM 0 H LEU B 64 11.482 -0.882 -8.613 1.00 0.00 H new ATOM 0 HA LEU B 64 13.691 -2.483 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.454 -2.625 -10.404 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.601 -0.984 -11.001 1.00 0.00 H new ATOM 0 HG LEU B 64 13.556 -1.624 -12.388 1.00 0.00 H new ATOM 0 HD11 LEU B 64 14.240 -4.000 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU B 64 14.472 -3.379 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.080 -4.424 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU B 64 12.363 -3.141 -13.965 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.194 -3.546 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU B 64 11.268 -1.889 -13.332 1.00 0.00 H new ATOM 1459 N MET B 65 13.857 0.693 -10.223 1.00 0.00 N ATOM 1460 CA MET B 65 14.770 1.724 -10.713 1.00 0.00 C ATOM 1461 C MET B 65 15.956 1.898 -9.764 1.00 0.00 C ATOM 1462 O MET B 65 17.089 2.101 -10.203 1.00 0.00 O ATOM 1463 CB MET B 65 14.016 3.048 -10.862 1.00 0.00 C ATOM 1464 CG MET B 65 13.120 3.000 -12.106 1.00 0.00 C ATOM 1465 SD MET B 65 14.145 2.980 -13.600 1.00 0.00 S ATOM 1466 CE MET B 65 14.181 4.771 -13.875 1.00 0.00 C ATOM 0 H MET B 65 12.937 1.037 -9.946 1.00 0.00 H new ATOM 0 HA MET B 65 15.156 1.415 -11.684 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.411 3.234 -9.974 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.724 3.873 -10.944 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.488 2.113 -12.076 1.00 0.00 H new ATOM 0 HG3 MET B 65 12.456 3.864 -12.121 1.00 0.00 H new ATOM 0 HE1 MET B 65 14.772 4.991 -14.764 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.164 5.138 -14.015 1.00 0.00 H new ATOM 0 HE3 MET B 65 14.629 5.263 -13.012 1.00 0.00 H new ATOM 1476 N GLY B 66 15.691 1.810 -8.465 1.00 0.00 N ATOM 1477 CA GLY B 66 16.748 1.950 -7.465 1.00 0.00 C ATOM 1478 C GLY B 66 17.109 3.415 -7.222 1.00 0.00 C ATOM 1479 O GLY B 66 18.010 3.715 -6.438 1.00 0.00 O ATOM 0 H GLY B 66 14.761 1.644 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.425 1.495 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.634 1.407 -7.794 1.00 0.00 H new ATOM 1483 N SER B 67 16.403 4.325 -7.889 1.00 0.00 N ATOM 1484 CA SER B 67 16.667 5.757 -7.721 1.00 0.00 C ATOM 1485 C SER B 67 15.442 6.581 -8.107 1.00 0.00 C ATOM 1486 O SER B 67 14.532 6.088 -8.774 1.00 0.00 O ATOM 1487 CB SER B 67 17.860 6.179 -8.581 1.00 0.00 C ATOM 1488 OG SER B 67 17.416 6.441 -9.907 1.00 0.00 O ATOM 0 H SER B 67 15.653 4.104 -8.543 1.00 0.00 H new ATOM 0 HA SER B 67 16.896 5.939 -6.671 1.00 0.00 H new ATOM 0 HB2 SER B 67 18.329 7.068 -8.160 1.00 0.00 H new ATOM 0 HB3 SER B 67 18.615 5.393 -8.587 1.00 0.00 H new ATOM 0 HG SER B 67 18.178 6.713 -10.459 1.00 0.00 H new ATOM 1494 N ALA B 68 15.432 7.842 -7.687 1.00 0.00 N ATOM 1495 CA ALA B 68 14.322 8.738 -7.990 1.00 0.00 C ATOM 1496 C ALA B 68 14.723 10.185 -7.731 1.00 0.00 C ATOM 1497 O ALA B 68 14.449 11.018 -8.580 1.00 0.00 O ATOM 1498 CB ALA B 68 13.110 8.381 -7.127 1.00 0.00 C ATOM 1499 OXT ALA B 68 15.300 10.442 -6.687 1.00 0.00 O ATOM 0 H ALA B 68 16.179 8.266 -7.137 1.00 0.00 H new ATOM 0 HA ALA B 68 14.062 8.624 -9.043 1.00 0.00 H new ATOM 0 HB1 ALA B 68 12.286 9.055 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA B 68 12.807 7.354 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA B 68 13.372 8.479 -6.073 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.803 2.336 11.425 1.00 0.00 CA HETATM 1507 CA CA A 102 -3.276 -2.425 12.164 1.00 0.00 CA