USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 70 ASN : amide:sc= 0.0717 K(o=1.1,f=-5!) USER MOD Set 1.2: A 74 CYS SG : rot -56:sc= 0.988 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 GLN : amide:sc= -0.305 X(o=-0.31,f=0.16) USER MOD Set 3.1: A 23 LYS NZ :NH3+ 130:sc= 1.31 (180deg=-0.188) USER MOD Set 3.2: A 60 TYR OH : rot 15:sc= 1.07 USER MOD Set 4.1: A 10 GLN : amide:sc= 2.4 K(o=4,f=-12!) USER MOD Set 4.2: A 79 LYS NZ :NH3+ -170:sc= 1.63 (180deg=0.182) USER MOD Set 5.1: A 5 ASN : amide:sc= 1.07 K(o=1,f=-0.45) USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.077 X(o=1,f=1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.0885 (180deg=-0.099) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.54 K(o=-0.54,f=-2.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 153:sc= -0.0124 (180deg=-0.851) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 43 MET CE :methyl -132:sc= -1.31 (180deg=-3.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0346 USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 1.05 (180deg=0.977) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.75 USER MOD Single : A 67 ASN : amide:sc= -0.961 K(o=-0.96,f=0) USER MOD Single : A 69 THR OG1 : rot 162:sc= 0.113 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.61) USER MOD Single : A 82 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.16) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 86 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0079) USER MOD Single : A 87 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.111 -8.080 -6.355 1.00 0.00 N ATOM 2 CA MET A 1 -19.265 -7.563 -7.456 1.00 0.00 C ATOM 3 C MET A 1 -18.061 -6.805 -6.898 1.00 0.00 C ATOM 4 O MET A 1 -17.165 -6.406 -7.640 1.00 0.00 O ATOM 5 CB MET A 1 -20.087 -6.644 -8.368 1.00 0.00 C ATOM 6 CG MET A 1 -19.368 -6.248 -9.649 1.00 0.00 C ATOM 7 SD MET A 1 -20.334 -5.119 -10.669 1.00 0.00 S ATOM 8 CE MET A 1 -19.247 -4.919 -12.079 1.00 0.00 C ATOM 0 H1 MET A 1 -20.896 -8.635 -6.752 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.539 -8.685 -5.732 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.493 -7.283 -5.807 1.00 0.00 H new ATOM 0 HA MET A 1 -18.903 -8.410 -8.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.021 -7.144 -8.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.351 -5.742 -7.816 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.417 -5.779 -9.397 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.139 -7.145 -10.224 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.708 -4.245 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.296 -4.502 -11.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.075 -5.889 -12.546 1.00 0.00 H new ATOM 20 N ALA A 2 -18.040 -6.609 -5.585 1.00 0.00 N ATOM 21 CA ALA A 2 -16.951 -5.890 -4.943 1.00 0.00 C ATOM 22 C ALA A 2 -16.124 -6.824 -4.070 1.00 0.00 C ATOM 23 O ALA A 2 -16.671 -7.628 -3.314 1.00 0.00 O ATOM 24 CB ALA A 2 -17.496 -4.735 -4.116 1.00 0.00 C ATOM 0 H ALA A 2 -18.764 -6.938 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.302 -5.488 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.670 -4.206 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.042 -4.049 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.168 -5.122 -3.349 1.00 0.00 H new ATOM 30 N ASP A 3 -14.810 -6.721 -4.193 1.00 0.00 N ATOM 31 CA ASP A 3 -13.897 -7.520 -3.386 1.00 0.00 C ATOM 32 C ASP A 3 -13.135 -6.623 -2.424 1.00 0.00 C ATOM 33 O ASP A 3 -12.499 -5.652 -2.839 1.00 0.00 O ATOM 34 CB ASP A 3 -12.909 -8.278 -4.280 1.00 0.00 C ATOM 35 CG ASP A 3 -11.915 -9.108 -3.488 1.00 0.00 C ATOM 36 OD1 ASP A 3 -10.858 -8.568 -3.091 1.00 0.00 O ATOM 37 OD2 ASP A 3 -12.172 -10.311 -3.275 1.00 0.00 O ATOM 0 H ASP A 3 -14.349 -6.089 -4.847 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.481 -8.245 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.464 -8.930 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.367 -7.565 -4.900 1.00 0.00 H new ATOM 42 N TYR A 4 -13.211 -6.935 -1.143 1.00 0.00 N ATOM 43 CA TYR A 4 -12.521 -6.153 -0.134 1.00 0.00 C ATOM 44 C TYR A 4 -11.248 -6.856 0.314 1.00 0.00 C ATOM 45 O TYR A 4 -11.288 -7.836 1.063 1.00 0.00 O ATOM 46 CB TYR A 4 -13.440 -5.867 1.055 1.00 0.00 C ATOM 47 CG TYR A 4 -14.592 -4.957 0.699 1.00 0.00 C ATOM 48 CD1 TYR A 4 -14.377 -3.607 0.454 1.00 0.00 C ATOM 49 CD2 TYR A 4 -15.891 -5.445 0.599 1.00 0.00 C ATOM 50 CE1 TYR A 4 -15.421 -2.768 0.117 1.00 0.00 C ATOM 51 CE2 TYR A 4 -16.941 -4.609 0.264 1.00 0.00 C ATOM 52 CZ TYR A 4 -16.699 -3.273 0.023 1.00 0.00 C ATOM 53 OH TYR A 4 -17.740 -2.437 -0.315 1.00 0.00 O ATOM 0 H TYR A 4 -13.744 -7.724 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 4 -12.240 -5.197 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -13.832 -6.808 1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.858 -5.412 1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.377 -3.207 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.082 -6.491 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.236 -1.721 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -17.945 -5.001 0.192 1.00 0.00 H new ATOM 0 HH TYR A 4 -18.576 -2.949 -0.340 1.00 0.00 H new ATOM 63 N ASN A 5 -10.129 -6.369 -0.192 1.00 0.00 N ATOM 64 CA ASN A 5 -8.817 -6.892 0.159 1.00 0.00 C ATOM 65 C ASN A 5 -7.998 -5.802 0.846 1.00 0.00 C ATOM 66 O ASN A 5 -8.564 -4.929 1.505 1.00 0.00 O ATOM 67 CB ASN A 5 -8.097 -7.417 -1.096 1.00 0.00 C ATOM 68 CG ASN A 5 -8.056 -6.409 -2.232 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.140 -5.596 -2.326 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.046 -6.463 -3.111 1.00 0.00 N ATOM 0 H ASN A 5 -10.102 -5.598 -0.859 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.934 -7.727 0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.077 -7.697 -0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.597 -8.322 -1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.064 -5.815 -3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.790 -7.152 -3.000 1.00 0.00 H new ATOM 77 N ILE A 6 -6.681 -5.832 0.676 1.00 0.00 N ATOM 78 CA ILE A 6 -5.810 -4.871 1.342 1.00 0.00 C ATOM 79 C ILE A 6 -5.965 -3.480 0.728 1.00 0.00 C ATOM 80 O ILE A 6 -6.226 -3.337 -0.470 1.00 0.00 O ATOM 81 CB ILE A 6 -4.325 -5.297 1.274 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.902 -5.564 -0.175 1.00 0.00 C ATOM 83 CG2 ILE A 6 -4.091 -6.525 2.142 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.434 -5.905 -0.328 1.00 0.00 C ATOM 0 H ILE A 6 -6.195 -6.507 0.086 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.113 -4.843 2.389 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.712 -4.481 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.500 -6.384 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.126 -4.684 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.042 -6.816 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.349 -6.294 3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.714 -7.346 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.209 -6.081 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.828 -5.077 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.207 -6.803 0.247 1.00 0.00 H new ATOM 96 N PRO A 7 -5.833 -2.434 1.557 1.00 0.00 N ATOM 97 CA PRO A 7 -6.043 -1.048 1.135 1.00 0.00 C ATOM 98 C PRO A 7 -5.017 -0.567 0.112 1.00 0.00 C ATOM 99 O PRO A 7 -3.810 -0.708 0.303 1.00 0.00 O ATOM 100 CB PRO A 7 -5.907 -0.238 2.433 1.00 0.00 C ATOM 101 CG PRO A 7 -6.015 -1.236 3.535 1.00 0.00 C ATOM 102 CD PRO A 7 -5.474 -2.519 2.979 1.00 0.00 C ATOM 0 HA PRO A 7 -7.008 -0.937 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.952 0.287 2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.689 0.517 2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.446 -0.917 4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.050 -1.354 3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.396 -2.598 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.923 -3.389 3.458 1.00 0.00 H new ATOM 110 N HIS A 8 -5.514 -0.014 -0.983 1.00 0.00 N ATOM 111 CA HIS A 8 -4.668 0.649 -1.963 1.00 0.00 C ATOM 112 C HIS A 8 -4.604 2.132 -1.614 1.00 0.00 C ATOM 113 O HIS A 8 -5.469 2.626 -0.893 1.00 0.00 O ATOM 114 CB HIS A 8 -5.217 0.449 -3.381 1.00 0.00 C ATOM 115 CG HIS A 8 -5.216 -0.982 -3.844 1.00 0.00 C ATOM 116 ND1 HIS A 8 -6.117 -1.922 -3.394 1.00 0.00 N ATOM 117 CD2 HIS A 8 -4.422 -1.628 -4.732 1.00 0.00 C ATOM 118 CE1 HIS A 8 -5.880 -3.078 -3.984 1.00 0.00 C ATOM 119 NE2 HIS A 8 -4.857 -2.929 -4.804 1.00 0.00 N ATOM 0 H HIS A 8 -6.507 -0.012 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.667 0.218 -1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.237 0.832 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.625 1.045 -4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.598 -1.199 -5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.431 -3.993 -3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.456 -3.659 -5.393 1.00 0.00 H new ATOM 128 N PHE A 9 -3.595 2.841 -2.103 1.00 0.00 N ATOM 129 CA PHE A 9 -3.391 4.226 -1.691 1.00 0.00 C ATOM 130 C PHE A 9 -3.369 5.184 -2.882 1.00 0.00 C ATOM 131 O PHE A 9 -2.926 4.837 -3.976 1.00 0.00 O ATOM 132 CB PHE A 9 -2.098 4.349 -0.884 1.00 0.00 C ATOM 133 CG PHE A 9 -2.079 3.470 0.337 1.00 0.00 C ATOM 134 CD1 PHE A 9 -2.826 3.800 1.456 1.00 0.00 C ATOM 135 CD2 PHE A 9 -1.323 2.309 0.359 1.00 0.00 C ATOM 136 CE1 PHE A 9 -2.819 2.990 2.575 1.00 0.00 C ATOM 137 CE2 PHE A 9 -1.312 1.494 1.474 1.00 0.00 C ATOM 138 CZ PHE A 9 -2.062 1.834 2.583 1.00 0.00 C ATOM 0 H PHE A 9 -2.914 2.488 -2.775 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.236 4.510 -1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.252 4.093 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.964 5.387 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.421 4.701 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.735 2.038 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.404 3.260 3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.718 0.592 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.057 1.197 3.455 1.00 0.00 H new ATOM 148 N GLN A 10 -3.866 6.389 -2.651 1.00 0.00 N ATOM 149 CA GLN A 10 -3.940 7.418 -3.679 1.00 0.00 C ATOM 150 C GLN A 10 -3.214 8.678 -3.230 1.00 0.00 C ATOM 151 O GLN A 10 -3.176 8.992 -2.040 1.00 0.00 O ATOM 152 CB GLN A 10 -5.413 7.742 -3.999 1.00 0.00 C ATOM 153 CG GLN A 10 -6.197 8.355 -2.837 1.00 0.00 C ATOM 154 CD GLN A 10 -6.390 9.852 -2.978 1.00 0.00 C ATOM 155 OE1 GLN A 10 -7.374 10.302 -3.558 1.00 0.00 O ATOM 156 NE2 GLN A 10 -5.465 10.631 -2.443 1.00 0.00 N ATOM 0 H GLN A 10 -4.230 6.683 -1.745 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.455 7.042 -4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.445 8.429 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.913 6.826 -4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.172 7.873 -2.770 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.674 8.148 -1.903 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.662 10.218 -1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.555 11.645 -2.504 1.00 0.00 H new ATOM 165 N ASN A 11 -2.622 9.386 -4.177 1.00 0.00 N ATOM 166 CA ASN A 11 -1.995 10.666 -3.886 1.00 0.00 C ATOM 167 C ASN A 11 -2.440 11.714 -4.905 1.00 0.00 C ATOM 168 O ASN A 11 -2.310 11.512 -6.114 1.00 0.00 O ATOM 169 CB ASN A 11 -0.462 10.536 -3.850 1.00 0.00 C ATOM 170 CG ASN A 11 0.168 10.283 -5.212 1.00 0.00 C ATOM 171 OD1 ASN A 11 0.614 11.214 -5.884 1.00 0.00 O ATOM 172 ND2 ASN A 11 0.209 9.025 -5.627 1.00 0.00 N ATOM 0 H ASN A 11 -2.562 9.097 -5.153 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.316 10.993 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.040 11.449 -3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.192 9.721 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.621 8.800 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.171 8.282 -5.041 1.00 0.00 H new ATOM 179 N ASP A 12 -3.003 12.814 -4.411 1.00 0.00 N ATOM 180 CA ASP A 12 -3.456 13.897 -5.282 1.00 0.00 C ATOM 181 C ASP A 12 -2.297 14.826 -5.605 1.00 0.00 C ATOM 182 O ASP A 12 -1.828 14.892 -6.742 1.00 0.00 O ATOM 183 CB ASP A 12 -4.567 14.714 -4.602 1.00 0.00 C ATOM 184 CG ASP A 12 -5.752 13.874 -4.176 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.666 13.220 -3.116 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.781 13.877 -4.885 1.00 0.00 O ATOM 0 H ASP A 12 -3.156 12.979 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.844 13.451 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.155 15.218 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.908 15.491 -5.286 1.00 0.00 H new ATOM 191 N LEU A 13 -1.828 15.525 -4.584 1.00 0.00 N ATOM 192 CA LEU A 13 -0.734 16.476 -4.725 1.00 0.00 C ATOM 193 C LEU A 13 0.610 15.778 -4.548 1.00 0.00 C ATOM 194 O LEU A 13 1.670 16.378 -4.732 1.00 0.00 O ATOM 195 CB LEU A 13 -0.873 17.627 -3.712 1.00 0.00 C ATOM 196 CG LEU A 13 -0.827 17.234 -2.224 1.00 0.00 C ATOM 197 CD1 LEU A 13 -0.577 18.464 -1.367 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.124 16.564 -1.785 1.00 0.00 C ATOM 0 H LEU A 13 -2.194 15.450 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.780 16.895 -5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.077 18.347 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.817 18.138 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.012 16.522 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.546 18.175 -0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.375 18.915 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.380 19.185 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.058 16.299 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.957 17.250 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.286 15.662 -2.376 1.00 0.00 H new ATOM 210 N GLY A 14 0.558 14.503 -4.192 1.00 0.00 N ATOM 211 CA GLY A 14 1.771 13.734 -4.021 1.00 0.00 C ATOM 212 C GLY A 14 2.253 13.719 -2.587 1.00 0.00 C ATOM 213 O GLY A 14 2.060 14.684 -1.847 1.00 0.00 O ATOM 0 H GLY A 14 -0.305 13.987 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.598 12.710 -4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.552 14.148 -4.659 1.00 0.00 H new ATOM 217 N TYR A 15 2.864 12.614 -2.192 1.00 0.00 N ATOM 218 CA TYR A 15 3.417 12.472 -0.852 1.00 0.00 C ATOM 219 C TYR A 15 4.742 11.728 -0.923 1.00 0.00 C ATOM 220 O TYR A 15 4.803 10.598 -1.410 1.00 0.00 O ATOM 221 CB TYR A 15 2.439 11.735 0.070 1.00 0.00 C ATOM 222 CG TYR A 15 1.188 12.522 0.401 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.196 13.475 1.411 1.00 0.00 C ATOM 224 CD2 TYR A 15 0.005 12.315 -0.297 1.00 0.00 C ATOM 225 CE1 TYR A 15 0.060 14.199 1.719 1.00 0.00 C ATOM 226 CE2 TYR A 15 -1.136 13.036 0.005 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.102 13.976 1.012 1.00 0.00 C ATOM 228 OH TYR A 15 -2.237 14.696 1.315 1.00 0.00 O ATOM 0 H TYR A 15 2.991 11.794 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 15 3.584 13.466 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.150 10.796 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.952 11.482 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.106 13.653 1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.024 11.580 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.083 14.935 2.509 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.049 12.863 -0.546 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.968 14.419 0.724 1.00 0.00 H new ATOM 238 N LYS A 16 5.799 12.369 -0.449 1.00 0.00 N ATOM 239 CA LYS A 16 7.142 11.816 -0.548 1.00 0.00 C ATOM 240 C LYS A 16 7.402 10.784 0.545 1.00 0.00 C ATOM 241 O LYS A 16 8.237 9.893 0.382 1.00 0.00 O ATOM 242 CB LYS A 16 8.175 12.948 -0.470 1.00 0.00 C ATOM 243 CG LYS A 16 9.620 12.486 -0.564 1.00 0.00 C ATOM 244 CD LYS A 16 10.579 13.660 -0.474 1.00 0.00 C ATOM 245 CE LYS A 16 12.029 13.210 -0.504 1.00 0.00 C ATOM 246 NZ LYS A 16 12.973 14.359 -0.436 1.00 0.00 N ATOM 0 H LYS A 16 5.752 13.278 0.011 1.00 0.00 H new ATOM 0 HA LYS A 16 7.233 11.309 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.980 13.658 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.038 13.485 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.831 11.778 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.775 11.958 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.394 14.344 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.390 14.214 0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.217 12.537 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.214 12.643 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.951 14.006 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.813 14.989 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.816 14.886 0.447 1.00 0.00 H new ATOM 260 N ILE A 17 6.694 10.908 1.657 1.00 0.00 N ATOM 261 CA ILE A 17 6.827 9.968 2.762 1.00 0.00 C ATOM 262 C ILE A 17 5.447 9.570 3.268 1.00 0.00 C ATOM 263 O ILE A 17 4.730 10.395 3.833 1.00 0.00 O ATOM 264 CB ILE A 17 7.638 10.575 3.931 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.037 10.987 3.458 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.736 9.586 5.089 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.864 11.678 4.522 1.00 0.00 C ATOM 0 H ILE A 17 6.018 11.654 1.820 1.00 0.00 H new ATOM 0 HA ILE A 17 7.360 9.093 2.391 1.00 0.00 H new ATOM 0 HB ILE A 17 7.116 11.465 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.570 10.100 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.939 11.651 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.310 10.032 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.735 9.341 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.233 8.677 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.840 11.939 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.354 12.584 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.995 11.009 5.373 1.00 0.00 H new ATOM 279 N ILE A 18 5.056 8.322 3.041 1.00 0.00 N ATOM 280 CA ILE A 18 3.754 7.856 3.533 1.00 0.00 C ATOM 281 C ILE A 18 3.902 6.737 4.564 1.00 0.00 C ATOM 282 O ILE A 18 4.611 5.760 4.352 1.00 0.00 O ATOM 283 CB ILE A 18 2.833 7.392 2.377 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.457 8.591 1.498 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.580 6.707 2.916 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.422 8.277 0.435 1.00 0.00 C ATOM 0 H ILE A 18 5.602 7.626 2.533 1.00 0.00 H new ATOM 0 HA ILE A 18 3.287 8.712 4.021 1.00 0.00 H new ATOM 0 HB ILE A 18 3.375 6.665 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.078 9.390 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.357 8.969 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.951 6.391 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.866 5.836 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.026 7.404 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.210 9.176 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.805 7.501 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.506 7.928 0.911 1.00 0.00 H new ATOM 298 N GLU A 19 3.228 6.898 5.693 1.00 0.00 N ATOM 299 CA GLU A 19 3.220 5.884 6.736 1.00 0.00 C ATOM 300 C GLU A 19 2.049 4.934 6.528 1.00 0.00 C ATOM 301 O GLU A 19 1.025 5.321 5.958 1.00 0.00 O ATOM 302 CB GLU A 19 3.131 6.538 8.117 1.00 0.00 C ATOM 303 CG GLU A 19 4.271 7.500 8.409 1.00 0.00 C ATOM 304 CD GLU A 19 4.205 8.076 9.806 1.00 0.00 C ATOM 305 OE1 GLU A 19 4.610 7.383 10.760 1.00 0.00 O ATOM 306 OE2 GLU A 19 3.765 9.236 9.958 1.00 0.00 O ATOM 0 H GLU A 19 2.676 7.728 5.911 1.00 0.00 H new ATOM 0 HA GLU A 19 4.150 5.318 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.185 7.074 8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.120 5.759 8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.221 6.982 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.250 8.313 7.684 1.00 0.00 H new ATOM 313 N ILE A 20 2.199 3.693 6.969 1.00 0.00 N ATOM 314 CA ILE A 20 1.154 2.689 6.809 1.00 0.00 C ATOM 315 C ILE A 20 1.117 1.743 8.002 1.00 0.00 C ATOM 316 O ILE A 20 2.128 1.533 8.674 1.00 0.00 O ATOM 317 CB ILE A 20 1.346 1.855 5.522 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.768 1.297 5.458 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.035 2.681 4.282 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.026 0.448 4.236 1.00 0.00 C ATOM 0 H ILE A 20 3.037 3.355 7.442 1.00 0.00 H new ATOM 0 HA ILE A 20 0.212 3.233 6.739 1.00 0.00 H new ATOM 0 HB ILE A 20 0.646 1.020 5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.476 2.126 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.957 0.702 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.179 2.069 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.001 3.024 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.702 3.542 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.054 0.085 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.342 -0.400 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.869 1.046 3.338 1.00 0.00 H new ATOM 332 N GLY A 21 -0.049 1.169 8.254 1.00 0.00 N ATOM 333 CA GLY A 21 -0.194 0.227 9.343 1.00 0.00 C ATOM 334 C GLY A 21 -0.258 -1.207 8.855 1.00 0.00 C ATOM 335 O GLY A 21 -0.992 -2.026 9.406 1.00 0.00 O ATOM 0 H GLY A 21 -0.901 1.340 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.644 0.338 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.099 0.459 9.904 1.00 0.00 H new ATOM 339 N VAL A 22 0.506 -1.508 7.813 1.00 0.00 N ATOM 340 CA VAL A 22 0.552 -2.855 7.252 1.00 0.00 C ATOM 341 C VAL A 22 1.995 -3.275 6.991 1.00 0.00 C ATOM 342 O VAL A 22 2.845 -2.439 6.684 1.00 0.00 O ATOM 343 CB VAL A 22 -0.259 -2.966 5.938 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.745 -2.766 6.197 1.00 0.00 C ATOM 345 CG2 VAL A 22 0.240 -1.968 4.903 1.00 0.00 C ATOM 0 H VAL A 22 1.106 -0.835 7.336 1.00 0.00 H new ATOM 0 HA VAL A 22 0.100 -3.521 7.987 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.113 -3.971 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.292 -2.849 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.099 -3.528 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.910 -1.778 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.347 -2.067 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.135 -0.956 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.289 -2.165 4.683 1.00 0.00 H new ATOM 355 N LYS A 23 2.273 -4.567 7.127 1.00 0.00 N ATOM 356 CA LYS A 23 3.618 -5.083 6.894 1.00 0.00 C ATOM 357 C LYS A 23 3.752 -5.603 5.472 1.00 0.00 C ATOM 358 O LYS A 23 4.857 -5.725 4.943 1.00 0.00 O ATOM 359 CB LYS A 23 3.950 -6.217 7.868 1.00 0.00 C ATOM 360 CG LYS A 23 3.904 -5.824 9.335 1.00 0.00 C ATOM 361 CD LYS A 23 4.387 -6.965 10.216 1.00 0.00 C ATOM 362 CE LYS A 23 4.278 -6.634 11.696 1.00 0.00 C ATOM 363 NZ LYS A 23 2.870 -6.417 12.117 1.00 0.00 N ATOM 0 H LYS A 23 1.589 -5.274 7.396 1.00 0.00 H new ATOM 0 HA LYS A 23 4.315 -4.260 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.251 -7.037 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.946 -6.596 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.525 -4.944 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.885 -5.552 9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.803 -7.860 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.424 -7.196 9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.710 -7.446 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.862 -5.739 11.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.669 -6.987 12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.724 -5.411 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.230 -6.702 11.348 1.00 0.00 H new ATOM 377 N GLU A 24 2.619 -5.921 4.865 1.00 0.00 N ATOM 378 CA GLU A 24 2.595 -6.499 3.530 1.00 0.00 C ATOM 379 C GLU A 24 1.693 -5.675 2.624 1.00 0.00 C ATOM 380 O GLU A 24 0.506 -5.509 2.910 1.00 0.00 O ATOM 381 CB GLU A 24 2.093 -7.940 3.597 1.00 0.00 C ATOM 382 CG GLU A 24 2.903 -8.823 4.530 1.00 0.00 C ATOM 383 CD GLU A 24 2.234 -10.149 4.797 1.00 0.00 C ATOM 384 OE1 GLU A 24 1.366 -10.206 5.695 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.564 -11.139 4.111 1.00 0.00 O ATOM 0 H GLU A 24 1.697 -5.787 5.280 1.00 0.00 H new ATOM 0 HA GLU A 24 3.606 -6.494 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.053 -7.939 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.113 -8.370 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.888 -8.997 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.059 -8.302 5.474 1.00 0.00 H new ATOM 392 N PHE A 25 2.260 -5.154 1.546 1.00 0.00 N ATOM 393 CA PHE A 25 1.511 -4.311 0.627 1.00 0.00 C ATOM 394 C PHE A 25 2.184 -4.282 -0.739 1.00 0.00 C ATOM 395 O PHE A 25 3.281 -4.813 -0.916 1.00 0.00 O ATOM 396 CB PHE A 25 1.391 -2.886 1.186 1.00 0.00 C ATOM 397 CG PHE A 25 2.710 -2.178 1.341 1.00 0.00 C ATOM 398 CD1 PHE A 25 3.580 -2.516 2.367 1.00 0.00 C ATOM 399 CD2 PHE A 25 3.078 -1.175 0.460 1.00 0.00 C ATOM 400 CE1 PHE A 25 4.790 -1.867 2.510 1.00 0.00 C ATOM 401 CE2 PHE A 25 4.287 -0.523 0.598 1.00 0.00 C ATOM 402 CZ PHE A 25 5.143 -0.869 1.624 1.00 0.00 C ATOM 0 H PHE A 25 3.236 -5.300 1.287 1.00 0.00 H new ATOM 0 HA PHE A 25 0.511 -4.729 0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.751 -2.300 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.896 -2.927 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.308 -3.296 3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.412 -0.900 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.459 -2.139 3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.563 0.257 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.089 -0.359 1.734 1.00 0.00 H new ATOM 412 N MET A 26 1.526 -3.663 -1.699 1.00 0.00 N ATOM 413 CA MET A 26 2.071 -3.539 -3.035 1.00 0.00 C ATOM 414 C MET A 26 1.749 -2.160 -3.582 1.00 0.00 C ATOM 415 O MET A 26 0.692 -1.603 -3.282 1.00 0.00 O ATOM 416 CB MET A 26 1.504 -4.634 -3.950 1.00 0.00 C ATOM 417 CG MET A 26 2.217 -4.743 -5.289 1.00 0.00 C ATOM 418 SD MET A 26 1.739 -6.216 -6.214 1.00 0.00 S ATOM 419 CE MET A 26 2.912 -6.155 -7.568 1.00 0.00 C ATOM 0 H MET A 26 0.608 -3.236 -1.577 1.00 0.00 H new ATOM 0 HA MET A 26 3.153 -3.663 -2.997 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.567 -5.593 -3.436 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.447 -4.436 -4.127 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.998 -3.857 -5.886 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.294 -4.757 -5.122 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.091 -7.164 -7.940 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.509 -5.538 -8.371 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.851 -5.726 -7.217 1.00 0.00 H new ATOM 429 N CYS A 27 2.670 -1.600 -4.351 1.00 0.00 N ATOM 430 CA CYS A 27 2.463 -0.293 -4.951 1.00 0.00 C ATOM 431 C CYS A 27 1.263 -0.340 -5.894 1.00 0.00 C ATOM 432 O CYS A 27 0.979 -1.385 -6.481 1.00 0.00 O ATOM 433 CB CYS A 27 3.728 0.145 -5.690 1.00 0.00 C ATOM 434 SG CYS A 27 3.634 1.782 -6.464 1.00 0.00 S ATOM 0 H CYS A 27 3.567 -2.031 -4.574 1.00 0.00 H new ATOM 0 HA CYS A 27 2.254 0.438 -4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.562 0.139 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.955 -0.592 -6.460 1.00 0.00 H new ATOM 439 N VAL A 28 0.576 0.793 -6.027 1.00 0.00 N ATOM 440 CA VAL A 28 -0.687 0.871 -6.761 1.00 0.00 C ATOM 441 C VAL A 28 -0.619 0.175 -8.119 1.00 0.00 C ATOM 442 O VAL A 28 0.272 0.439 -8.934 1.00 0.00 O ATOM 443 CB VAL A 28 -1.129 2.335 -6.957 1.00 0.00 C ATOM 444 CG1 VAL A 28 -2.498 2.409 -7.618 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.143 3.065 -5.625 1.00 0.00 C ATOM 0 H VAL A 28 0.878 1.682 -5.630 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.424 0.348 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.410 2.821 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.785 3.453 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.458 1.923 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.233 1.904 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.457 4.097 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.839 2.571 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.143 3.051 -5.192 1.00 0.00 H new ATOM 455 N GLY A 29 -1.564 -0.728 -8.330 1.00 0.00 N ATOM 456 CA GLY A 29 -1.647 -1.474 -9.561 1.00 0.00 C ATOM 457 C GLY A 29 -2.322 -2.808 -9.335 1.00 0.00 C ATOM 458 O GLY A 29 -2.739 -3.106 -8.213 1.00 0.00 O ATOM 0 H GLY A 29 -2.289 -0.959 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.204 -0.901 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.647 -1.631 -9.965 1.00 0.00 H new ATOM 462 N ALA A 30 -2.448 -3.598 -10.387 1.00 0.00 N ATOM 463 CA ALA A 30 -3.004 -4.936 -10.272 1.00 0.00 C ATOM 464 C ALA A 30 -1.875 -5.954 -10.269 1.00 0.00 C ATOM 465 O ALA A 30 -0.739 -5.617 -10.606 1.00 0.00 O ATOM 466 CB ALA A 30 -3.970 -5.211 -11.415 1.00 0.00 C ATOM 0 H ALA A 30 -2.172 -3.336 -11.333 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.558 -5.015 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.377 -6.217 -11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.783 -4.486 -11.386 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.443 -5.127 -12.365 1.00 0.00 H new ATOM 472 N THR A 31 -2.171 -7.191 -9.893 1.00 0.00 N ATOM 473 CA THR A 31 -1.158 -8.234 -9.884 1.00 0.00 C ATOM 474 C THR A 31 -0.842 -8.680 -11.311 1.00 0.00 C ATOM 475 O THR A 31 -1.338 -9.702 -11.789 1.00 0.00 O ATOM 476 CB THR A 31 -1.603 -9.444 -9.042 1.00 0.00 C ATOM 477 OG1 THR A 31 -2.149 -8.990 -7.795 1.00 0.00 O ATOM 478 CG2 THR A 31 -0.429 -10.377 -8.769 1.00 0.00 C ATOM 0 H THR A 31 -3.098 -7.494 -9.593 1.00 0.00 H new ATOM 0 HA THR A 31 -0.259 -7.818 -9.430 1.00 0.00 H new ATOM 0 HB THR A 31 -2.361 -9.991 -9.602 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.433 -9.762 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.768 -11.224 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.024 -10.738 -9.714 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.346 -9.837 -8.225 1.00 0.00 H new ATOM 486 N GLN A 32 -0.049 -7.870 -11.998 1.00 0.00 N ATOM 487 CA GLN A 32 0.324 -8.121 -13.383 1.00 0.00 C ATOM 488 C GLN A 32 1.774 -7.698 -13.592 1.00 0.00 C ATOM 489 O GLN A 32 2.326 -6.986 -12.751 1.00 0.00 O ATOM 490 CB GLN A 32 -0.608 -7.351 -14.331 1.00 0.00 C ATOM 491 CG GLN A 32 -2.054 -7.822 -14.275 1.00 0.00 C ATOM 492 CD GLN A 32 -2.981 -7.016 -15.162 1.00 0.00 C ATOM 493 OE1 GLN A 32 -4.163 -6.866 -14.860 1.00 0.00 O ATOM 494 NE2 GLN A 32 -2.456 -6.501 -16.262 1.00 0.00 N ATOM 0 H GLN A 32 0.355 -7.018 -11.609 1.00 0.00 H new ATOM 0 HA GLN A 32 0.226 -9.184 -13.603 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.570 -6.290 -14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.240 -7.453 -15.352 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.099 -8.870 -14.571 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.408 -7.766 -13.245 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.470 -6.650 -16.474 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.038 -5.955 -16.897 1.00 0.00 H new ATOM 503 N PRO A 33 2.413 -8.144 -14.691 1.00 0.00 N ATOM 504 CA PRO A 33 3.814 -7.815 -14.993 1.00 0.00 C ATOM 505 C PRO A 33 4.140 -6.333 -14.808 1.00 0.00 C ATOM 506 O PRO A 33 3.353 -5.456 -15.188 1.00 0.00 O ATOM 507 CB PRO A 33 3.953 -8.214 -16.459 1.00 0.00 C ATOM 508 CG PRO A 33 2.989 -9.335 -16.628 1.00 0.00 C ATOM 509 CD PRO A 33 1.827 -9.021 -15.726 1.00 0.00 C ATOM 0 HA PRO A 33 4.501 -8.328 -14.320 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.716 -7.382 -17.122 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.971 -8.526 -16.691 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.666 -9.419 -17.666 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.446 -10.287 -16.358 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.024 -8.520 -16.267 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.402 -9.926 -15.291 1.00 0.00 H new ATOM 517 N PHE A 34 5.302 -6.073 -14.216 1.00 0.00 N ATOM 518 CA PHE A 34 5.754 -4.716 -13.931 1.00 0.00 C ATOM 519 C PHE A 34 5.832 -3.881 -15.207 1.00 0.00 C ATOM 520 O PHE A 34 6.599 -4.189 -16.122 1.00 0.00 O ATOM 521 CB PHE A 34 7.123 -4.755 -13.240 1.00 0.00 C ATOM 522 CG PHE A 34 7.627 -3.407 -12.802 1.00 0.00 C ATOM 523 CD1 PHE A 34 7.235 -2.869 -11.588 1.00 0.00 C ATOM 524 CD2 PHE A 34 8.494 -2.680 -13.603 1.00 0.00 C ATOM 525 CE1 PHE A 34 7.697 -1.631 -11.178 1.00 0.00 C ATOM 526 CE2 PHE A 34 8.958 -1.442 -13.200 1.00 0.00 C ATOM 527 CZ PHE A 34 8.559 -0.918 -11.987 1.00 0.00 C ATOM 0 H PHE A 34 5.956 -6.797 -13.921 1.00 0.00 H new ATOM 0 HA PHE A 34 5.028 -4.248 -13.266 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.061 -5.408 -12.370 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.849 -5.199 -13.921 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.560 -3.423 -10.953 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.810 -3.086 -14.553 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.384 -1.224 -10.228 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.632 -0.885 -13.834 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.921 0.049 -11.671 1.00 0.00 H new ATOM 537 N ASP A 35 5.033 -2.826 -15.248 1.00 0.00 N ATOM 538 CA ASP A 35 4.981 -1.921 -16.392 1.00 0.00 C ATOM 539 C ASP A 35 4.153 -0.704 -16.020 1.00 0.00 C ATOM 540 O ASP A 35 4.682 0.386 -15.807 1.00 0.00 O ATOM 541 CB ASP A 35 4.375 -2.624 -17.610 1.00 0.00 C ATOM 542 CG ASP A 35 4.271 -1.717 -18.818 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.282 -1.549 -19.529 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.172 -1.182 -19.072 1.00 0.00 O ATOM 0 H ASP A 35 4.401 -2.571 -14.490 1.00 0.00 H new ATOM 0 HA ASP A 35 5.993 -1.611 -16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.984 -3.491 -17.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.383 -2.995 -17.353 1.00 0.00 H new ATOM 549 N HIS A 36 2.848 -0.904 -15.932 1.00 0.00 N ATOM 550 CA HIS A 36 1.956 0.106 -15.382 1.00 0.00 C ATOM 551 C HIS A 36 1.775 -0.123 -13.881 1.00 0.00 C ATOM 552 O HIS A 36 1.898 0.818 -13.096 1.00 0.00 O ATOM 553 CB HIS A 36 0.604 0.121 -16.106 1.00 0.00 C ATOM 554 CG HIS A 36 0.667 0.702 -17.485 1.00 0.00 C ATOM 555 ND1 HIS A 36 -0.384 0.647 -18.375 1.00 0.00 N ATOM 556 CD2 HIS A 36 1.661 1.365 -18.124 1.00 0.00 C ATOM 557 CE1 HIS A 36 -0.039 1.247 -19.499 1.00 0.00 C ATOM 558 NE2 HIS A 36 1.197 1.690 -19.372 1.00 0.00 N ATOM 0 H HIS A 36 2.381 -1.759 -16.235 1.00 0.00 H new ATOM 0 HA HIS A 36 2.410 1.085 -15.537 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.223 -0.899 -16.168 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.110 0.692 -15.513 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.638 1.595 -17.724 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.663 1.357 -20.374 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.722 2.193 -20.087 1.00 0.00 H new ATOM 567 N PRO A 37 1.475 -1.371 -13.445 1.00 0.00 N ATOM 568 CA PRO A 37 1.516 -1.723 -12.026 1.00 0.00 C ATOM 569 C PRO A 37 2.954 -1.748 -11.522 1.00 0.00 C ATOM 570 O PRO A 37 3.885 -1.982 -12.296 1.00 0.00 O ATOM 571 CB PRO A 37 0.904 -3.131 -11.965 1.00 0.00 C ATOM 572 CG PRO A 37 0.266 -3.347 -13.294 1.00 0.00 C ATOM 573 CD PRO A 37 1.052 -2.517 -14.266 1.00 0.00 C ATOM 0 HA PRO A 37 0.980 -1.006 -11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.669 -3.883 -11.770 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.171 -3.206 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.289 -4.401 -13.572 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.781 -3.044 -13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.905 -3.064 -14.668 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.445 -2.204 -15.115 1.00 0.00 H new ATOM 581 N HIS A 38 3.141 -1.489 -10.238 1.00 0.00 N ATOM 582 CA HIS A 38 4.482 -1.457 -9.674 1.00 0.00 C ATOM 583 C HIS A 38 4.787 -2.737 -8.905 1.00 0.00 C ATOM 584 O HIS A 38 4.182 -3.776 -9.146 1.00 0.00 O ATOM 585 CB HIS A 38 4.676 -0.232 -8.779 1.00 0.00 C ATOM 586 CG HIS A 38 4.932 1.037 -9.535 1.00 0.00 C ATOM 587 ND1 HIS A 38 5.435 2.193 -8.942 1.00 0.00 N ATOM 588 CD2 HIS A 38 4.761 1.330 -10.847 1.00 0.00 C ATOM 589 CE1 HIS A 38 5.561 3.128 -9.887 1.00 0.00 C ATOM 590 NE2 HIS A 38 5.158 2.628 -11.035 1.00 0.00 N ATOM 0 H HIS A 38 2.391 -1.300 -9.573 1.00 0.00 H new ATOM 0 HA HIS A 38 5.185 -1.385 -10.504 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.788 -0.102 -8.160 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.511 -0.416 -8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.381 0.662 -11.606 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.933 4.130 -9.734 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.143 3.127 -11.924 1.00 0.00 H new ATOM 598 N ILE A 39 5.728 -2.646 -7.978 1.00 0.00 N ATOM 599 CA ILE A 39 6.282 -3.821 -7.327 1.00 0.00 C ATOM 600 C ILE A 39 5.703 -4.018 -5.921 1.00 0.00 C ATOM 601 O ILE A 39 5.145 -3.085 -5.331 1.00 0.00 O ATOM 602 CB ILE A 39 7.821 -3.691 -7.268 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.480 -5.031 -6.956 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.231 -2.641 -6.242 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.980 -5.002 -7.127 1.00 0.00 C ATOM 0 H ILE A 39 6.126 -1.763 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 39 6.009 -4.700 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 39 8.166 -3.371 -8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.242 -5.318 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.060 -5.797 -7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.318 -2.564 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.805 -1.676 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.863 -2.931 -5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.392 -5.983 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.224 -4.744 -8.158 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.408 -4.257 -6.456 1.00 0.00 H new ATOM 617 N PHE A 40 5.823 -5.241 -5.408 1.00 0.00 N ATOM 618 CA PHE A 40 5.352 -5.581 -4.069 1.00 0.00 C ATOM 619 C PHE A 40 6.416 -5.217 -3.035 1.00 0.00 C ATOM 620 O PHE A 40 7.609 -5.397 -3.280 1.00 0.00 O ATOM 621 CB PHE A 40 5.033 -7.083 -4.001 1.00 0.00 C ATOM 622 CG PHE A 40 4.348 -7.523 -2.733 1.00 0.00 C ATOM 623 CD1 PHE A 40 5.084 -7.901 -1.621 1.00 0.00 C ATOM 624 CD2 PHE A 40 2.963 -7.566 -2.659 1.00 0.00 C ATOM 625 CE1 PHE A 40 4.455 -8.312 -0.461 1.00 0.00 C ATOM 626 CE2 PHE A 40 2.328 -7.975 -1.501 1.00 0.00 C ATOM 627 CZ PHE A 40 3.076 -8.348 -0.401 1.00 0.00 C ATOM 0 H PHE A 40 6.248 -6.022 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 40 4.446 -5.016 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.401 -7.345 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.962 -7.643 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.163 -7.874 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.374 -7.276 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.041 -8.605 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.249 -8.003 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.583 -8.667 0.505 1.00 0.00 H new ATOM 637 N ILE A 41 5.987 -4.700 -1.890 1.00 0.00 N ATOM 638 CA ILE A 41 6.918 -4.296 -0.845 1.00 0.00 C ATOM 639 C ILE A 41 6.549 -4.926 0.489 1.00 0.00 C ATOM 640 O ILE A 41 5.407 -4.835 0.941 1.00 0.00 O ATOM 641 CB ILE A 41 6.962 -2.762 -0.672 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.332 -2.086 -1.994 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.956 -2.376 0.424 1.00 0.00 C ATOM 644 CD1 ILE A 41 7.252 -0.576 -1.944 1.00 0.00 C ATOM 0 H ILE A 41 5.004 -4.551 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 41 7.902 -4.644 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 41 5.971 -2.419 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.344 -2.379 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.668 -2.451 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.975 -1.292 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.652 -2.830 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.951 -2.731 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.527 -0.165 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.234 -0.274 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.937 -0.200 -1.183 1.00 0.00 H new ATOM 656 N ASP A 42 7.513 -5.577 1.107 1.00 0.00 N ATOM 657 CA ASP A 42 7.344 -6.075 2.458 1.00 0.00 C ATOM 658 C ASP A 42 8.014 -5.112 3.421 1.00 0.00 C ATOM 659 O ASP A 42 8.954 -4.412 3.049 1.00 0.00 O ATOM 660 CB ASP A 42 7.963 -7.467 2.620 1.00 0.00 C ATOM 661 CG ASP A 42 9.481 -7.440 2.568 1.00 0.00 C ATOM 662 OD1 ASP A 42 10.117 -7.214 3.624 1.00 0.00 O ATOM 663 OD2 ASP A 42 10.046 -7.646 1.474 1.00 0.00 O ATOM 0 H ASP A 42 8.425 -5.774 0.694 1.00 0.00 H new ATOM 0 HA ASP A 42 6.278 -6.152 2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.643 -7.895 3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.588 -8.122 1.833 1.00 0.00 H new ATOM 668 N MET A 43 7.537 -5.061 4.645 1.00 0.00 N ATOM 669 CA MET A 43 8.197 -4.267 5.667 1.00 0.00 C ATOM 670 C MET A 43 8.803 -5.194 6.716 1.00 0.00 C ATOM 671 O MET A 43 9.099 -4.787 7.838 1.00 0.00 O ATOM 672 CB MET A 43 7.214 -3.295 6.322 1.00 0.00 C ATOM 673 CG MET A 43 7.891 -2.066 6.908 1.00 0.00 C ATOM 674 SD MET A 43 8.102 -0.741 5.707 1.00 0.00 S ATOM 675 CE MET A 43 6.398 -0.295 5.397 1.00 0.00 C ATOM 0 H MET A 43 6.701 -5.554 4.959 1.00 0.00 H new ATOM 0 HA MET A 43 8.988 -3.680 5.201 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.478 -2.979 5.583 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.671 -3.814 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.301 -1.698 7.747 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.866 -2.349 7.304 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.228 -0.232 4.322 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.740 -1.052 5.824 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.186 0.671 5.855 1.00 0.00 H new ATOM 685 N GLY A 44 9.012 -6.445 6.325 1.00 0.00 N ATOM 686 CA GLY A 44 9.509 -7.443 7.250 1.00 0.00 C ATOM 687 C GLY A 44 11.012 -7.594 7.183 1.00 0.00 C ATOM 688 O GLY A 44 11.522 -8.680 6.899 1.00 0.00 O ATOM 0 H GLY A 44 8.845 -6.787 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.219 -7.170 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.040 -8.402 7.031 1.00 0.00 H new ATOM 692 N SER A 45 11.717 -6.500 7.432 1.00 0.00 N ATOM 693 CA SER A 45 13.173 -6.496 7.427 1.00 0.00 C ATOM 694 C SER A 45 13.680 -5.236 8.125 1.00 0.00 C ATOM 695 O SER A 45 13.982 -5.252 9.322 1.00 0.00 O ATOM 696 CB SER A 45 13.704 -6.573 5.988 1.00 0.00 C ATOM 697 OG SER A 45 15.114 -6.709 5.962 1.00 0.00 O ATOM 0 H SER A 45 11.298 -5.594 7.642 1.00 0.00 H new ATOM 0 HA SER A 45 13.538 -7.370 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.246 -7.419 5.475 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.414 -5.675 5.443 1.00 0.00 H new ATOM 0 HG SER A 45 15.421 -6.757 5.033 1.00 0.00 H new ATOM 703 N THR A 46 13.748 -4.140 7.384 1.00 0.00 N ATOM 704 CA THR A 46 14.084 -2.853 7.958 1.00 0.00 C ATOM 705 C THR A 46 12.822 -2.171 8.479 1.00 0.00 C ATOM 706 O THR A 46 11.713 -2.654 8.240 1.00 0.00 O ATOM 707 CB THR A 46 14.793 -1.959 6.925 1.00 0.00 C ATOM 708 OG1 THR A 46 14.185 -2.127 5.637 1.00 0.00 O ATOM 709 CG2 THR A 46 16.275 -2.299 6.840 1.00 0.00 C ATOM 0 H THR A 46 13.573 -4.120 6.379 1.00 0.00 H new ATOM 0 HA THR A 46 14.770 -3.013 8.790 1.00 0.00 H new ATOM 0 HB THR A 46 14.693 -0.921 7.243 1.00 0.00 H new ATOM 0 HG1 THR A 46 14.639 -1.555 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 46 16.755 -1.654 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 46 16.740 -2.146 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 46 16.393 -3.341 6.542 1.00 0.00 H new ATOM 717 N ASP A 47 12.985 -1.063 9.189 1.00 0.00 N ATOM 718 CA ASP A 47 11.850 -0.394 9.818 1.00 0.00 C ATOM 719 C ASP A 47 11.118 0.478 8.808 1.00 0.00 C ATOM 720 O ASP A 47 9.902 0.659 8.891 1.00 0.00 O ATOM 721 CB ASP A 47 12.317 0.449 11.009 1.00 0.00 C ATOM 722 CG ASP A 47 11.166 0.897 11.890 1.00 0.00 C ATOM 723 OD1 ASP A 47 10.651 0.060 12.668 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.775 2.079 11.820 1.00 0.00 O ATOM 0 H ASP A 47 13.885 -0.609 9.344 1.00 0.00 H new ATOM 0 HA ASP A 47 11.161 -1.156 10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.023 -0.129 11.605 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.852 1.325 10.642 1.00 0.00 H new ATOM 729 N GLU A 48 11.863 1.006 7.846 1.00 0.00 N ATOM 730 CA GLU A 48 11.281 1.835 6.804 1.00 0.00 C ATOM 731 C GLU A 48 11.631 1.289 5.421 1.00 0.00 C ATOM 732 O GLU A 48 12.770 0.890 5.164 1.00 0.00 O ATOM 733 CB GLU A 48 11.755 3.287 6.947 1.00 0.00 C ATOM 734 CG GLU A 48 13.264 3.465 6.840 1.00 0.00 C ATOM 735 CD GLU A 48 13.703 4.892 7.087 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.374 5.772 6.266 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.382 5.144 8.104 1.00 0.00 O ATOM 0 H GLU A 48 12.871 0.874 7.767 1.00 0.00 H new ATOM 0 HA GLU A 48 10.197 1.814 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.274 3.892 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.422 3.673 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.755 2.809 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.593 3.155 5.848 1.00 0.00 H new ATOM 744 N LYS A 49 10.643 1.254 4.542 1.00 0.00 N ATOM 745 CA LYS A 49 10.838 0.795 3.172 1.00 0.00 C ATOM 746 C LYS A 49 10.355 1.856 2.192 1.00 0.00 C ATOM 747 O LYS A 49 9.325 2.485 2.407 1.00 0.00 O ATOM 748 CB LYS A 49 10.075 -0.512 2.916 1.00 0.00 C ATOM 749 CG LYS A 49 10.659 -1.743 3.596 1.00 0.00 C ATOM 750 CD LYS A 49 11.996 -2.143 2.991 1.00 0.00 C ATOM 751 CE LYS A 49 12.450 -3.514 3.476 1.00 0.00 C ATOM 752 NZ LYS A 49 11.576 -4.608 2.969 1.00 0.00 N ATOM 0 H LYS A 49 9.687 1.541 4.754 1.00 0.00 H new ATOM 0 HA LYS A 49 11.903 0.615 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.045 -0.385 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.042 -0.691 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.787 -1.544 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.958 -2.573 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.915 -2.151 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.749 -1.398 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.476 -3.691 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.453 -3.529 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.988 -5.528 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.631 -4.522 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.498 -4.539 1.934 1.00 0.00 H new ATOM 766 N ILE A 50 11.096 2.060 1.120 1.00 0.00 N ATOM 767 CA ILE A 50 10.682 2.999 0.091 1.00 0.00 C ATOM 768 C ILE A 50 10.111 2.228 -1.098 1.00 0.00 C ATOM 769 O ILE A 50 10.335 1.024 -1.223 1.00 0.00 O ATOM 770 CB ILE A 50 11.863 3.893 -0.366 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.353 5.111 -1.148 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.849 3.094 -1.209 1.00 0.00 C ATOM 773 CD1 ILE A 50 12.453 6.054 -1.592 1.00 0.00 C ATOM 0 H ILE A 50 11.984 1.592 0.938 1.00 0.00 H new ATOM 0 HA ILE A 50 9.915 3.653 0.507 1.00 0.00 H new ATOM 0 HB ILE A 50 12.381 4.249 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.807 4.765 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.645 5.660 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.670 3.741 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.242 2.265 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.341 2.704 -2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.017 6.890 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.985 6.429 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.149 5.521 -2.240 1.00 0.00 H new ATOM 785 N CYS A 51 9.376 2.912 -1.965 1.00 0.00 N ATOM 786 CA CYS A 51 8.835 2.279 -3.155 1.00 0.00 C ATOM 787 C CYS A 51 9.770 2.485 -4.324 1.00 0.00 C ATOM 788 O CYS A 51 10.035 3.625 -4.718 1.00 0.00 O ATOM 789 CB CYS A 51 7.460 2.855 -3.523 1.00 0.00 C ATOM 790 SG CYS A 51 6.904 2.446 -5.210 1.00 0.00 S ATOM 0 H CYS A 51 9.143 3.900 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 51 8.728 1.216 -2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.722 2.487 -2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.493 3.939 -3.416 1.00 0.00 H new ATOM 795 N PRO A 52 10.302 1.389 -4.878 1.00 0.00 N ATOM 796 CA PRO A 52 11.011 1.435 -6.143 1.00 0.00 C ATOM 797 C PRO A 52 10.119 2.067 -7.197 1.00 0.00 C ATOM 798 O PRO A 52 9.082 1.500 -7.566 1.00 0.00 O ATOM 799 CB PRO A 52 11.294 -0.036 -6.462 1.00 0.00 C ATOM 800 CG PRO A 52 11.267 -0.720 -5.140 1.00 0.00 C ATOM 801 CD PRO A 52 10.262 0.029 -4.312 1.00 0.00 C ATOM 0 HA PRO A 52 11.926 2.026 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.542 -0.447 -7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.261 -0.157 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.983 -1.767 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.251 -0.703 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.268 -0.411 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.529 0.025 -3.255 1.00 0.00 H new ATOM 809 N TYR A 53 10.499 3.266 -7.622 1.00 0.00 N ATOM 810 CA TYR A 53 9.708 4.055 -8.552 1.00 0.00 C ATOM 811 C TYR A 53 8.433 4.556 -7.867 1.00 0.00 C ATOM 812 O TYR A 53 7.424 3.827 -7.785 1.00 0.00 O ATOM 813 CB TYR A 53 9.386 3.253 -9.825 1.00 0.00 C ATOM 814 CG TYR A 53 10.620 2.672 -10.485 1.00 0.00 C ATOM 815 CD1 TYR A 53 11.478 3.479 -11.218 1.00 0.00 C ATOM 816 CD2 TYR A 53 10.939 1.320 -10.352 1.00 0.00 C ATOM 817 CE1 TYR A 53 12.616 2.962 -11.805 1.00 0.00 C ATOM 818 CE2 TYR A 53 12.079 0.800 -10.933 1.00 0.00 C ATOM 819 CZ TYR A 53 12.912 1.624 -11.658 1.00 0.00 C ATOM 820 OH TYR A 53 14.053 1.110 -12.232 1.00 0.00 O ATOM 0 H TYR A 53 11.366 3.717 -7.330 1.00 0.00 H new ATOM 0 HA TYR A 53 10.294 4.922 -8.858 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.699 2.444 -9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.871 3.900 -10.535 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.252 4.529 -11.331 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.286 0.672 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.271 3.603 -12.377 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.316 -0.247 -10.820 1.00 0.00 H new ATOM 0 HH TYR A 53 14.116 0.152 -12.034 1.00 0.00 H new ATOM 830 N CYS A 54 8.546 5.769 -7.300 1.00 0.00 N ATOM 831 CA CYS A 54 7.440 6.534 -6.696 1.00 0.00 C ATOM 832 C CYS A 54 7.977 7.581 -5.730 1.00 0.00 C ATOM 833 O CYS A 54 7.631 8.758 -5.838 1.00 0.00 O ATOM 834 CB CYS A 54 6.435 5.664 -5.935 1.00 0.00 C ATOM 835 SG CYS A 54 5.089 5.011 -6.955 1.00 0.00 S ATOM 0 H CYS A 54 9.438 6.261 -7.247 1.00 0.00 H new ATOM 0 HA CYS A 54 6.921 6.998 -7.535 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.967 4.829 -5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.007 6.251 -5.122 1.00 0.00 H new ATOM 840 N SER A 55 8.836 7.139 -4.803 1.00 0.00 N ATOM 841 CA SER A 55 9.272 7.965 -3.677 1.00 0.00 C ATOM 842 C SER A 55 8.067 8.286 -2.787 1.00 0.00 C ATOM 843 O SER A 55 7.319 9.232 -3.037 1.00 0.00 O ATOM 844 CB SER A 55 9.959 9.245 -4.166 1.00 0.00 C ATOM 845 OG SER A 55 10.966 8.947 -5.127 1.00 0.00 O ATOM 0 H SER A 55 9.244 6.204 -4.814 1.00 0.00 H new ATOM 0 HA SER A 55 10.006 7.411 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.219 9.915 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.402 9.770 -3.320 1.00 0.00 H new ATOM 0 HG SER A 55 11.389 9.779 -5.426 1.00 0.00 H new ATOM 851 N THR A 56 7.876 7.469 -1.756 1.00 0.00 N ATOM 852 CA THR A 56 6.671 7.469 -0.961 1.00 0.00 C ATOM 853 C THR A 56 7.018 6.817 0.370 1.00 0.00 C ATOM 854 O THR A 56 6.186 6.163 0.993 1.00 0.00 O ATOM 855 CB THR A 56 5.550 6.666 -1.666 1.00 0.00 C ATOM 856 OG1 THR A 56 5.535 6.961 -3.069 1.00 0.00 O ATOM 857 CG2 THR A 56 4.187 6.992 -1.085 1.00 0.00 C ATOM 0 H THR A 56 8.567 6.783 -1.452 1.00 0.00 H new ATOM 0 HA THR A 56 6.307 8.487 -0.820 1.00 0.00 H new ATOM 0 HB THR A 56 5.758 5.608 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.823 6.446 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.423 6.412 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.175 6.744 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.982 8.055 -1.211 1.00 0.00 H new ATOM 865 N LEU A 57 8.282 7.047 0.772 1.00 0.00 N ATOM 866 CA LEU A 57 8.936 6.390 1.913 1.00 0.00 C ATOM 867 C LEU A 57 7.946 5.910 2.963 1.00 0.00 C ATOM 868 O LEU A 57 7.365 6.706 3.698 1.00 0.00 O ATOM 869 CB LEU A 57 9.946 7.355 2.538 1.00 0.00 C ATOM 870 CG LEU A 57 10.783 6.790 3.687 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.594 5.588 3.226 1.00 0.00 C ATOM 872 CD2 LEU A 57 11.699 7.868 4.240 1.00 0.00 C ATOM 0 H LEU A 57 8.891 7.714 0.297 1.00 0.00 H new ATOM 0 HA LEU A 57 9.444 5.502 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.623 7.700 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.407 8.230 2.902 1.00 0.00 H new ATOM 0 HG LEU A 57 10.109 6.459 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.181 5.204 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.920 4.810 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.263 5.888 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.292 7.458 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.364 8.220 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.100 8.701 4.608 1.00 0.00 H new ATOM 884 N TYR A 58 7.766 4.600 3.018 1.00 0.00 N ATOM 885 CA TYR A 58 6.766 4.003 3.877 1.00 0.00 C ATOM 886 C TYR A 58 7.324 3.767 5.265 1.00 0.00 C ATOM 887 O TYR A 58 8.415 3.218 5.429 1.00 0.00 O ATOM 888 CB TYR A 58 6.260 2.688 3.279 1.00 0.00 C ATOM 889 CG TYR A 58 5.631 2.845 1.915 1.00 0.00 C ATOM 890 CD1 TYR A 58 4.297 3.208 1.782 1.00 0.00 C ATOM 891 CD2 TYR A 58 6.372 2.632 0.760 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.720 3.354 0.535 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.804 2.777 -0.488 1.00 0.00 C ATOM 894 CZ TYR A 58 4.478 3.137 -0.597 1.00 0.00 C ATOM 895 OH TYR A 58 3.911 3.283 -1.843 1.00 0.00 O ATOM 0 H TYR A 58 8.306 3.929 2.472 1.00 0.00 H new ATOM 0 HA TYR A 58 5.928 4.696 3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.092 1.987 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.530 2.247 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.702 3.379 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.411 2.348 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.681 3.636 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.395 2.609 -1.376 1.00 0.00 H new ATOM 0 HH TYR A 58 4.582 3.095 -2.532 1.00 0.00 H new ATOM 905 N ARG A 59 6.574 4.204 6.257 1.00 0.00 N ATOM 906 CA ARG A 59 6.957 4.019 7.645 1.00 0.00 C ATOM 907 C ARG A 59 5.937 3.162 8.372 1.00 0.00 C ATOM 908 O ARG A 59 4.732 3.306 8.163 1.00 0.00 O ATOM 909 CB ARG A 59 7.106 5.374 8.335 1.00 0.00 C ATOM 910 CG ARG A 59 8.548 5.819 8.482 1.00 0.00 C ATOM 911 CD ARG A 59 8.656 7.327 8.646 1.00 0.00 C ATOM 912 NE ARG A 59 9.997 7.756 9.063 1.00 0.00 N ATOM 913 CZ ARG A 59 11.131 7.493 8.402 1.00 0.00 C ATOM 914 NH1 ARG A 59 11.119 6.780 7.282 1.00 0.00 N ATOM 915 NH2 ARG A 59 12.279 7.959 8.872 1.00 0.00 N ATOM 0 H ARG A 59 5.689 4.694 6.127 1.00 0.00 H new ATOM 0 HA ARG A 59 7.917 3.504 7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.558 6.125 7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.647 5.323 9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.995 5.326 9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.117 5.506 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.401 7.810 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.926 7.662 9.383 1.00 0.00 H new ATOM 0 HE ARG A 59 10.070 8.297 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.237 6.424 6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.992 6.588 6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.292 8.512 9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.149 7.765 8.377 1.00 0.00 H new ATOM 929 N TYR A 60 6.425 2.267 9.212 1.00 0.00 N ATOM 930 CA TYR A 60 5.557 1.383 9.968 1.00 0.00 C ATOM 931 C TYR A 60 5.718 1.647 11.459 1.00 0.00 C ATOM 932 O TYR A 60 6.832 1.847 11.945 1.00 0.00 O ATOM 933 CB TYR A 60 5.877 -0.080 9.652 1.00 0.00 C ATOM 934 CG TYR A 60 4.918 -1.066 10.284 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.679 -1.319 9.709 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.246 -1.738 11.455 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.797 -2.213 10.281 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.367 -2.635 12.032 1.00 0.00 C ATOM 939 CZ TYR A 60 3.144 -2.868 11.440 1.00 0.00 C ATOM 940 OH TYR A 60 2.266 -3.764 12.006 1.00 0.00 O ATOM 0 H TYR A 60 7.421 2.133 9.388 1.00 0.00 H new ATOM 0 HA TYR A 60 4.523 1.579 9.683 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.866 -0.219 8.571 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.888 -0.302 9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.401 -0.808 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.203 -1.557 11.922 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.838 -2.398 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.637 -3.151 12.942 1.00 0.00 H new ATOM 0 HH TYR A 60 1.570 -3.995 11.356 1.00 0.00 H new ATOM 950 N ASP A 61 4.608 1.659 12.177 1.00 0.00 N ATOM 951 CA ASP A 61 4.628 1.896 13.613 1.00 0.00 C ATOM 952 C ASP A 61 3.606 0.992 14.294 1.00 0.00 C ATOM 953 O ASP A 61 2.515 0.789 13.766 1.00 0.00 O ATOM 954 CB ASP A 61 4.320 3.368 13.909 1.00 0.00 C ATOM 955 CG ASP A 61 4.542 3.737 15.361 1.00 0.00 C ATOM 956 OD1 ASP A 61 3.648 3.471 16.189 1.00 0.00 O ATOM 957 OD2 ASP A 61 5.613 4.292 15.681 1.00 0.00 O ATOM 0 H ASP A 61 3.677 1.507 11.788 1.00 0.00 H new ATOM 0 HA ASP A 61 5.620 1.666 14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.947 3.999 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.285 3.578 13.640 1.00 0.00 H new ATOM 962 N PRO A 62 3.949 0.417 15.461 1.00 0.00 N ATOM 963 CA PRO A 62 3.050 -0.475 16.211 1.00 0.00 C ATOM 964 C PRO A 62 1.709 0.175 16.567 1.00 0.00 C ATOM 965 O PRO A 62 0.700 -0.518 16.719 1.00 0.00 O ATOM 966 CB PRO A 62 3.837 -0.806 17.489 1.00 0.00 C ATOM 967 CG PRO A 62 4.925 0.210 17.557 1.00 0.00 C ATOM 968 CD PRO A 62 5.247 0.568 16.138 1.00 0.00 C ATOM 0 HA PRO A 62 2.784 -1.349 15.616 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.196 -0.755 18.369 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.244 -1.816 17.449 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.604 1.088 18.117 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.801 -0.191 18.067 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.631 1.585 16.055 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.003 -0.094 15.715 1.00 0.00 H new ATOM 976 N SER A 63 1.695 1.497 16.688 1.00 0.00 N ATOM 977 CA SER A 63 0.475 2.214 17.035 1.00 0.00 C ATOM 978 C SER A 63 -0.421 2.403 15.813 1.00 0.00 C ATOM 979 O SER A 63 -1.583 2.795 15.936 1.00 0.00 O ATOM 980 CB SER A 63 0.817 3.568 17.660 1.00 0.00 C ATOM 981 OG SER A 63 1.590 3.401 18.841 1.00 0.00 O ATOM 0 H SER A 63 2.512 2.092 16.551 1.00 0.00 H new ATOM 0 HA SER A 63 -0.073 1.617 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.369 4.175 16.942 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.101 4.107 17.895 1.00 0.00 H new ATOM 0 HG SER A 63 1.798 4.279 19.222 1.00 0.00 H new ATOM 987 N LEU A 64 0.117 2.114 14.635 1.00 0.00 N ATOM 988 CA LEU A 64 -0.656 2.195 13.408 1.00 0.00 C ATOM 989 C LEU A 64 -1.374 0.876 13.161 1.00 0.00 C ATOM 990 O LEU A 64 -0.757 -0.123 12.782 1.00 0.00 O ATOM 991 CB LEU A 64 0.244 2.544 12.219 1.00 0.00 C ATOM 992 CG LEU A 64 0.917 3.917 12.287 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.827 4.123 11.087 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.129 5.020 12.358 1.00 0.00 C ATOM 0 H LEU A 64 1.086 1.822 14.506 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.396 2.988 13.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.019 1.782 12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.351 2.495 11.307 1.00 0.00 H new ATOM 0 HG LEU A 64 1.524 3.959 13.191 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.297 5.104 11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.597 3.351 11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.240 4.061 10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.367 5.989 12.406 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.761 4.979 11.471 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.743 4.882 13.248 1.00 0.00 H new ATOM 1006 N SER A 65 -2.672 0.868 13.419 1.00 0.00 N ATOM 1007 CA SER A 65 -3.487 -0.316 13.205 1.00 0.00 C ATOM 1008 C SER A 65 -3.790 -0.492 11.719 1.00 0.00 C ATOM 1009 O SER A 65 -3.515 0.395 10.916 1.00 0.00 O ATOM 1010 CB SER A 65 -4.786 -0.198 13.998 1.00 0.00 C ATOM 1011 OG SER A 65 -4.528 0.135 15.353 1.00 0.00 O ATOM 0 H SER A 65 -3.185 1.673 13.779 1.00 0.00 H new ATOM 0 HA SER A 65 -2.937 -1.191 13.550 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.423 0.564 13.548 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.332 -1.140 13.949 1.00 0.00 H new ATOM 0 HG SER A 65 -5.376 0.206 15.839 1.00 0.00 H new ATOM 1017 N TYR A 66 -4.369 -1.630 11.364 1.00 0.00 N ATOM 1018 CA TYR A 66 -4.708 -1.930 9.976 1.00 0.00 C ATOM 1019 C TYR A 66 -5.624 -0.852 9.384 1.00 0.00 C ATOM 1020 O TYR A 66 -5.549 -0.540 8.195 1.00 0.00 O ATOM 1021 CB TYR A 66 -5.384 -3.301 9.900 1.00 0.00 C ATOM 1022 CG TYR A 66 -5.638 -3.799 8.493 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -4.641 -4.448 7.776 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -6.877 -3.634 7.886 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -4.870 -4.915 6.495 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -7.115 -4.100 6.607 1.00 0.00 C ATOM 1027 CZ TYR A 66 -6.109 -4.739 5.915 1.00 0.00 C ATOM 1028 OH TYR A 66 -6.344 -5.211 4.644 1.00 0.00 O ATOM 0 H TYR A 66 -4.617 -2.368 12.023 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.789 -1.944 9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.762 -4.028 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.334 -3.253 10.432 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.670 -4.590 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.668 -3.133 8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.082 -5.415 5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.085 -3.964 6.152 1.00 0.00 H new ATOM 0 HH TYR A 66 -7.267 -5.006 4.384 1.00 0.00 H new ATOM 1038 N ASN A 67 -6.475 -0.274 10.224 1.00 0.00 N ATOM 1039 CA ASN A 67 -7.416 0.753 9.777 1.00 0.00 C ATOM 1040 C ASN A 67 -6.812 2.155 9.898 1.00 0.00 C ATOM 1041 O ASN A 67 -7.511 3.155 9.731 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.718 0.679 10.582 1.00 0.00 C ATOM 1043 CG ASN A 67 -9.474 -0.628 10.388 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -10.130 -1.116 11.311 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.397 -1.202 9.198 1.00 0.00 N ATOM 0 H ASN A 67 -6.535 -0.497 11.218 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.633 0.562 8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.490 0.805 11.640 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.363 1.509 10.294 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.890 -2.077 9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.844 -0.769 8.458 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.516 2.222 10.188 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.814 3.496 10.303 1.00 0.00 C ATOM 1054 C GLN A 68 -3.552 3.480 9.447 1.00 0.00 C ATOM 1055 O GLN A 68 -2.639 2.696 9.689 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.436 3.772 11.763 1.00 0.00 C ATOM 1057 CG GLN A 68 -5.620 4.074 12.669 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.203 4.261 14.114 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -4.856 5.364 14.536 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -5.242 3.186 14.885 1.00 0.00 N ATOM 0 H GLN A 68 -4.928 1.404 10.348 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.479 4.285 9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.902 2.907 12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.745 4.614 11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.123 4.975 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.342 3.260 12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.536 2.290 14.496 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.979 3.254 15.868 1.00 0.00 H new ATOM 1069 N THR A 69 -3.493 4.347 8.448 1.00 0.00 N ATOM 1070 CA THR A 69 -2.337 4.382 7.574 1.00 0.00 C ATOM 1071 C THR A 69 -1.456 5.594 7.853 1.00 0.00 C ATOM 1072 O THR A 69 -0.355 5.460 8.381 1.00 0.00 O ATOM 1073 CB THR A 69 -2.741 4.301 6.074 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.594 4.458 5.230 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.792 5.339 5.700 1.00 0.00 C ATOM 0 H THR A 69 -4.222 5.025 8.226 1.00 0.00 H new ATOM 0 HA THR A 69 -1.745 3.494 7.794 1.00 0.00 H new ATOM 0 HB THR A 69 -3.175 3.313 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.799 4.119 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.040 5.241 4.643 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.689 5.181 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.400 6.338 5.890 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.961 6.763 7.554 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.169 7.975 7.607 1.00 0.00 C ATOM 1085 C ASN A 70 -2.056 9.172 7.904 1.00 0.00 C ATOM 1086 O ASN A 70 -3.255 9.159 7.619 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.408 8.191 6.286 1.00 0.00 C ATOM 1088 CG ASN A 70 -1.304 8.537 5.102 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -2.465 8.135 5.033 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -0.761 9.288 4.154 1.00 0.00 N ATOM 0 H ASN A 70 -2.929 6.907 7.267 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.439 7.870 8.409 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.319 8.992 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.154 7.287 6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.309 9.550 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.205 9.604 4.244 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.480 10.212 8.504 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.193 11.432 8.821 1.00 0.00 C ATOM 1099 C PRO A 71 -2.110 12.447 7.686 1.00 0.00 C ATOM 1100 O PRO A 71 -1.059 13.045 7.458 1.00 0.00 O ATOM 1101 CB PRO A 71 -1.451 11.948 10.063 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.161 11.173 10.143 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.091 10.277 8.933 1.00 0.00 C ATOM 0 HA PRO A 71 -3.259 11.267 8.981 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.257 13.018 9.982 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.049 11.800 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.692 11.851 10.167 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.125 10.583 11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.553 10.692 8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.303 9.291 9.181 1.00 0.00 H new ATOM 1111 N THR A 72 -3.233 12.615 6.990 1.00 0.00 N ATOM 1112 CA THR A 72 -3.388 13.554 5.867 1.00 0.00 C ATOM 1113 C THR A 72 -4.672 13.232 5.118 1.00 0.00 C ATOM 1114 O THR A 72 -5.635 13.998 5.142 1.00 0.00 O ATOM 1115 CB THR A 72 -2.227 13.525 4.838 1.00 0.00 C ATOM 1116 OG1 THR A 72 -1.517 12.280 4.900 1.00 0.00 O ATOM 1117 CG2 THR A 72 -1.270 14.693 5.046 1.00 0.00 C ATOM 0 H THR A 72 -4.085 12.092 7.192 1.00 0.00 H new ATOM 0 HA THR A 72 -3.399 14.547 6.316 1.00 0.00 H new ATOM 0 HB THR A 72 -2.668 13.623 3.846 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.791 12.284 4.242 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.469 14.643 4.309 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.811 15.632 4.930 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.845 14.641 6.048 1.00 0.00 H new ATOM 1125 N GLY A 73 -4.680 12.073 4.474 1.00 0.00 N ATOM 1126 CA GLY A 73 -5.828 11.654 3.703 1.00 0.00 C ATOM 1127 C GLY A 73 -5.424 11.077 2.363 1.00 0.00 C ATOM 1128 O GLY A 73 -5.063 11.815 1.447 1.00 0.00 O ATOM 0 H GLY A 73 -3.903 11.412 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.391 10.909 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.492 12.505 3.547 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.455 9.756 2.254 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.094 9.088 1.013 1.00 0.00 C ATOM 1134 C CYS A 74 -6.103 7.990 0.676 1.00 0.00 C ATOM 1135 O CYS A 74 -7.154 8.271 0.099 1.00 0.00 O ATOM 1136 CB CYS A 74 -3.675 8.516 1.108 1.00 0.00 C ATOM 1137 SG CYS A 74 -2.409 9.762 1.456 1.00 0.00 S ATOM 0 H CYS A 74 -5.726 9.127 3.010 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.114 9.822 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.650 7.758 1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.431 8.015 0.171 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.463 10.699 0.556 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.792 6.748 1.073 1.00 0.00 N ATOM 1144 CA LEU A 75 -6.647 5.584 0.790 1.00 0.00 C ATOM 1145 C LEU A 75 -6.778 5.381 -0.703 1.00 0.00 C ATOM 1146 O LEU A 75 -6.021 5.937 -1.456 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.048 5.771 1.386 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.092 6.437 2.756 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -9.527 6.576 3.222 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.266 5.645 3.745 1.00 0.00 C ATOM 0 H LEU A 75 -4.946 6.522 1.596 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.178 4.712 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.643 6.365 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.526 4.794 1.460 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.664 7.437 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.547 7.053 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.083 7.186 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.985 5.589 3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.304 6.129 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.666 4.634 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.232 5.600 3.402 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.712 4.560 -1.132 1.00 0.00 N ATOM 1163 CA TYR A 76 -8.084 4.544 -2.532 1.00 0.00 C ATOM 1164 C TYR A 76 -9.450 5.196 -2.649 1.00 0.00 C ATOM 1165 O TYR A 76 -10.483 4.528 -2.642 1.00 0.00 O ATOM 1166 CB TYR A 76 -8.071 3.127 -3.119 1.00 0.00 C ATOM 1167 CG TYR A 76 -8.317 3.086 -4.613 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.292 3.358 -5.510 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -9.573 2.784 -5.125 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -7.509 3.328 -6.875 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -9.799 2.751 -6.488 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.765 3.025 -7.360 1.00 0.00 C ATOM 1173 OH TYR A 76 -8.989 2.997 -8.720 1.00 0.00 O ATOM 0 H TYR A 76 -8.222 3.903 -0.542 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.352 5.102 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.108 2.663 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.831 2.528 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.308 3.597 -5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.386 2.572 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.700 3.541 -7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.781 2.512 -6.869 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.926 2.766 -8.893 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.438 6.517 -2.687 1.00 0.00 N ATOM 1184 CA ASN A 77 -10.656 7.301 -2.612 1.00 0.00 C ATOM 1185 C ASN A 77 -11.104 7.717 -4.008 1.00 0.00 C ATOM 1186 O ASN A 77 -10.270 8.031 -4.860 1.00 0.00 O ATOM 1187 CB ASN A 77 -10.413 8.529 -1.725 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.692 9.089 -1.137 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -12.312 9.988 -1.703 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.092 8.556 0.009 1.00 0.00 N ATOM 0 H ASN A 77 -8.587 7.073 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.451 6.699 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.734 8.259 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.918 9.303 -2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.946 8.890 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.546 7.812 0.443 1.00 0.00 H new ATOM 1197 N PRO A 78 -12.423 7.691 -4.268 1.00 0.00 N ATOM 1198 CA PRO A 78 -12.985 8.030 -5.580 1.00 0.00 C ATOM 1199 C PRO A 78 -12.740 9.483 -5.986 1.00 0.00 C ATOM 1200 O PRO A 78 -13.548 10.366 -5.702 1.00 0.00 O ATOM 1201 CB PRO A 78 -14.489 7.769 -5.422 1.00 0.00 C ATOM 1202 CG PRO A 78 -14.616 6.920 -4.203 1.00 0.00 C ATOM 1203 CD PRO A 78 -13.473 7.307 -3.312 1.00 0.00 C ATOM 0 HA PRO A 78 -12.516 7.439 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.040 8.703 -5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.894 7.262 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.572 7.089 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.571 5.861 -4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.738 8.132 -2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.158 6.479 -2.677 1.00 0.00 H new ATOM 1211 N LYS A 79 -11.598 9.724 -6.615 1.00 0.00 N ATOM 1212 CA LYS A 79 -11.313 11.014 -7.235 1.00 0.00 C ATOM 1213 C LYS A 79 -11.591 10.936 -8.729 1.00 0.00 C ATOM 1214 O LYS A 79 -11.466 11.921 -9.455 1.00 0.00 O ATOM 1215 CB LYS A 79 -9.861 11.433 -6.988 1.00 0.00 C ATOM 1216 CG LYS A 79 -9.665 12.314 -5.762 1.00 0.00 C ATOM 1217 CD LYS A 79 -10.149 11.643 -4.489 1.00 0.00 C ATOM 1218 CE LYS A 79 -9.879 12.508 -3.269 1.00 0.00 C ATOM 1219 NZ LYS A 79 -8.423 12.746 -3.074 1.00 0.00 N ATOM 0 H LYS A 79 -10.848 9.039 -6.711 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.961 11.766 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.250 10.537 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.494 11.965 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.609 12.562 -5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.201 13.253 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.218 11.442 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.652 10.680 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.392 13.463 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.291 12.026 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.265 13.192 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.915 11.839 -3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.070 13.373 -3.825 1.00 0.00 H new ATOM 1233 N LEU A 80 -11.961 9.746 -9.170 1.00 0.00 N ATOM 1234 CA LEU A 80 -12.304 9.504 -10.559 1.00 0.00 C ATOM 1235 C LEU A 80 -13.626 8.757 -10.624 1.00 0.00 C ATOM 1236 O LEU A 80 -13.718 7.615 -10.169 1.00 0.00 O ATOM 1237 CB LEU A 80 -11.209 8.684 -11.251 1.00 0.00 C ATOM 1238 CG LEU A 80 -9.837 9.357 -11.345 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -8.805 8.386 -11.898 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -9.912 10.603 -12.214 1.00 0.00 C ATOM 0 H LEU A 80 -12.032 8.921 -8.574 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.394 10.460 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.095 7.740 -10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.544 8.441 -12.259 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.530 9.654 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.836 8.881 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.730 7.520 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.108 8.060 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.928 11.068 -12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.240 10.328 -13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.622 11.307 -11.780 1.00 0.00 H new ATOM 1252 N GLU A 81 -14.651 9.408 -11.148 1.00 0.00 N ATOM 1253 CA GLU A 81 -15.956 8.780 -11.280 1.00 0.00 C ATOM 1254 C GLU A 81 -15.902 7.666 -12.319 1.00 0.00 C ATOM 1255 O GLU A 81 -15.895 7.929 -13.522 1.00 0.00 O ATOM 1256 CB GLU A 81 -17.021 9.809 -11.674 1.00 0.00 C ATOM 1257 CG GLU A 81 -18.426 9.229 -11.736 1.00 0.00 C ATOM 1258 CD GLU A 81 -19.450 10.214 -12.264 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -19.883 11.099 -11.498 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -19.838 10.101 -13.447 1.00 0.00 O ATOM 0 H GLU A 81 -14.606 10.369 -11.488 1.00 0.00 H new ATOM 0 HA GLU A 81 -16.227 8.355 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.006 10.630 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -16.766 10.231 -12.646 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -18.420 8.344 -12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.723 8.904 -10.739 1.00 0.00 H new ATOM 1267 N HIS A 82 -15.815 6.426 -11.851 1.00 0.00 N ATOM 1268 CA HIS A 82 -15.853 5.284 -12.753 1.00 0.00 C ATOM 1269 C HIS A 82 -17.240 5.172 -13.369 1.00 0.00 C ATOM 1270 O HIS A 82 -18.231 4.945 -12.673 1.00 0.00 O ATOM 1271 CB HIS A 82 -15.441 3.975 -12.046 1.00 0.00 C ATOM 1272 CG HIS A 82 -16.373 3.503 -10.962 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -17.165 2.381 -11.089 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -16.612 3.987 -9.720 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -17.850 2.201 -9.977 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -17.533 3.158 -9.127 1.00 0.00 N ATOM 0 H HIS A 82 -15.719 6.188 -10.864 1.00 0.00 H new ATOM 0 HA HIS A 82 -15.124 5.446 -13.547 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -15.356 3.189 -12.796 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.450 4.112 -11.614 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -16.162 4.863 -9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -18.554 1.403 -9.793 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -17.909 3.265 -8.185 1.00 0.00 H new ATOM 1285 N HIS A 83 -17.299 5.363 -14.675 1.00 0.00 N ATOM 1286 CA HIS A 83 -18.565 5.406 -15.393 1.00 0.00 C ATOM 1287 C HIS A 83 -19.199 4.028 -15.471 1.00 0.00 C ATOM 1288 O HIS A 83 -18.581 3.020 -15.115 1.00 0.00 O ATOM 1289 CB HIS A 83 -18.355 5.975 -16.797 1.00 0.00 C ATOM 1290 CG HIS A 83 -17.927 7.408 -16.795 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -16.611 7.800 -16.708 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -18.652 8.544 -16.846 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -16.546 9.115 -16.705 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -17.770 9.597 -16.787 1.00 0.00 N ATOM 0 H HIS A 83 -16.478 5.492 -15.266 1.00 0.00 H new ATOM 0 HA HIS A 83 -19.245 6.057 -14.844 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.603 5.379 -17.315 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -19.282 5.880 -17.363 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.727 8.614 -16.920 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.641 9.701 -16.645 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -18.021 10.586 -16.804 1.00 0.00 H new ATOM 1303 N HIS A 84 -20.433 3.987 -15.940 1.00 0.00 N ATOM 1304 CA HIS A 84 -21.161 2.736 -16.043 1.00 0.00 C ATOM 1305 C HIS A 84 -20.680 1.955 -17.254 1.00 0.00 C ATOM 1306 O HIS A 84 -21.131 2.189 -18.376 1.00 0.00 O ATOM 1307 CB HIS A 84 -22.670 2.984 -16.139 1.00 0.00 C ATOM 1308 CG HIS A 84 -23.236 3.719 -14.962 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -23.789 4.978 -15.055 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -23.330 3.366 -13.659 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -24.196 5.366 -13.863 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -23.929 4.407 -13.000 1.00 0.00 N ATOM 0 H HIS A 84 -20.952 4.806 -16.256 1.00 0.00 H new ATOM 0 HA HIS A 84 -20.971 2.153 -15.142 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -22.879 3.552 -17.046 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -23.181 2.026 -16.238 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -22.995 2.437 -13.221 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -24.668 6.310 -13.633 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -24.135 4.435 -12.001 1.00 0.00 H new ATOM 1321 N HIS A 85 -19.735 1.052 -17.029 1.00 0.00 N ATOM 1322 CA HIS A 85 -19.222 0.194 -18.090 1.00 0.00 C ATOM 1323 C HIS A 85 -20.210 -0.945 -18.325 1.00 0.00 C ATOM 1324 O HIS A 85 -19.893 -2.116 -18.116 1.00 0.00 O ATOM 1325 CB HIS A 85 -17.839 -0.353 -17.711 1.00 0.00 C ATOM 1326 CG HIS A 85 -16.958 -0.654 -18.887 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -15.622 -0.315 -18.926 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -17.221 -1.261 -20.070 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -15.107 -0.694 -20.078 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -16.053 -1.272 -20.793 1.00 0.00 N ATOM 0 H HIS A 85 -19.306 0.894 -16.117 1.00 0.00 H new ATOM 0 HA HIS A 85 -19.112 0.770 -19.009 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.337 0.371 -17.070 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -17.968 -1.263 -17.124 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.173 -1.662 -20.386 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.081 -0.555 -20.386 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -15.936 -1.663 -21.728 1.00 0.00 H new ATOM 1339 N HIS A 86 -21.409 -0.564 -18.754 1.00 0.00 N ATOM 1340 CA HIS A 86 -22.549 -1.465 -18.870 1.00 0.00 C ATOM 1341 C HIS A 86 -22.889 -2.061 -17.507 1.00 0.00 C ATOM 1342 O HIS A 86 -22.730 -3.259 -17.268 1.00 0.00 O ATOM 1343 CB HIS A 86 -22.322 -2.563 -19.912 1.00 0.00 C ATOM 1344 CG HIS A 86 -23.607 -3.154 -20.404 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -23.866 -4.507 -20.426 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -24.717 -2.552 -20.890 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -25.081 -4.710 -20.904 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -25.615 -3.541 -21.194 1.00 0.00 N ATOM 0 H HIS A 86 -21.618 0.394 -19.035 1.00 0.00 H new ATOM 0 HA HIS A 86 -23.398 -0.877 -19.220 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -21.768 -2.151 -20.755 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -21.705 -3.350 -19.479 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -24.867 -1.490 -21.015 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -25.556 -5.671 -21.035 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -26.547 -3.396 -21.582 1.00 0.00 H new ATOM 1357 N HIS A 87 -23.336 -1.192 -16.613 1.00 0.00 N ATOM 1358 CA HIS A 87 -23.718 -1.582 -15.266 1.00 0.00 C ATOM 1359 C HIS A 87 -24.770 -0.616 -14.746 1.00 0.00 C ATOM 1360 O HIS A 87 -24.387 0.440 -14.205 1.00 0.00 O ATOM 1361 CB HIS A 87 -22.500 -1.593 -14.331 1.00 0.00 C ATOM 1362 CG HIS A 87 -22.822 -1.984 -12.916 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -22.977 -3.292 -12.515 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -23.013 -1.230 -11.805 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -23.249 -3.329 -11.223 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -23.274 -2.091 -10.770 1.00 0.00 N ATOM 1367 OXT HIS A 87 -25.972 -0.909 -14.898 1.00 0.00 O ATOM 0 H HIS A 87 -23.444 -0.196 -16.802 1.00 0.00 H new ATOM 0 HA HIS A 87 -24.128 -2.592 -15.293 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -21.756 -2.283 -14.728 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -22.046 -0.602 -14.329 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -22.968 -0.153 -11.746 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -23.421 -4.220 -10.638 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -23.458 -1.818 -9.805 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 5.704 2.919 -7.031 1.00 0.00 ZN