USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 773 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.0555 (180deg=-0.376) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.072) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -105:sc= 1.34 USER MOD Single : A 23 SER OG : rot -160:sc= 0.916 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 27 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.24) USER MOD Single : A 32 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 39 SER OG : rot -98:sc= 1.24 USER MOD Single : A 41 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.06) USER MOD Single : A 45 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=0.00043) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.58! C(o=-1.6!,f=-6.2!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.0046) USER MOD Single : A 57 MET CE :methyl 136:sc= -0.124 (180deg=-0.398) USER MOD Single : A 58 MET CE :methyl -148:sc= -0.144 (180deg=-1.46) USER MOD Single : A 61 GLN : amide:sc= 0.6 K(o=0.6,f=-0.022) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.472 K(o=0.47,f=-7.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 1.08 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.076 16.813 -6.931 1.00 1.00 N ATOM 2 CA PRO A 1 0.075 16.320 -5.534 1.00 1.00 C ATOM 3 C PRO A 1 -1.311 16.489 -4.957 1.00 1.00 C ATOM 4 O PRO A 1 -2.103 17.251 -5.494 1.00 1.00 O ATOM 5 CB PRO A 1 1.091 17.101 -4.717 1.00 1.00 C ATOM 6 CG PRO A 1 1.399 18.274 -5.575 1.00 1.00 C ATOM 7 CD PRO A 1 1.115 17.861 -7.008 1.00 1.00 C ATOM 0 H2 PRO A 1 -0.838 17.189 -7.183 1.00 1.00 H new ATOM 0 H3 PRO A 1 0.277 16.055 -7.583 1.00 1.00 H new ATOM 0 HA PRO A 1 0.348 15.265 -5.508 1.00 1.00 H new ATOM 0 HB2 PRO A 1 0.683 17.405 -3.753 1.00 1.00 H new ATOM 0 HB3 PRO A 1 1.983 16.508 -4.513 1.00 1.00 H new ATOM 0 HG2 PRO A 1 0.787 19.130 -5.292 1.00 1.00 H new ATOM 0 HG3 PRO A 1 2.440 18.574 -5.459 1.00 1.00 H new ATOM 0 HD2 PRO A 1 0.770 18.710 -7.598 1.00 1.00 H new ATOM 0 HD3 PRO A 1 2.016 17.483 -7.491 1.00 1.00 H new ATOM 17 N ILE A 2 -1.608 15.792 -3.884 1.00 1.00 N ATOM 18 CA ILE A 2 -2.930 15.898 -3.286 1.00 1.00 C ATOM 19 C ILE A 2 -3.101 17.235 -2.601 1.00 1.00 C ATOM 20 O ILE A 2 -2.201 17.719 -1.921 1.00 1.00 O ATOM 21 CB ILE A 2 -3.211 14.794 -2.253 1.00 1.00 C ATOM 22 CG1 ILE A 2 -2.689 13.444 -2.743 1.00 1.00 C ATOM 23 CG2 ILE A 2 -4.705 14.719 -1.958 1.00 1.00 C ATOM 24 CD1 ILE A 2 -2.849 12.334 -1.726 1.00 1.00 C ATOM 0 H ILE A 2 -0.968 15.154 -3.410 1.00 1.00 H new ATOM 0 HA ILE A 2 -3.637 15.790 -4.109 1.00 1.00 H new ATOM 0 HB ILE A 2 -2.685 15.042 -1.331 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -3.216 13.169 -3.657 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -1.634 13.542 -3.000 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -4.892 13.934 -1.225 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -5.046 15.675 -1.561 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -5.246 14.494 -2.877 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -2.458 11.404 -2.138 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -2.299 12.589 -0.820 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -3.905 12.209 -1.486 1.00 1.00 H new ATOM 36 N THR A 3 -4.243 17.841 -2.807 1.00 1.00 N ATOM 37 CA THR A 3 -4.532 19.113 -2.179 1.00 1.00 C ATOM 38 C THR A 3 -5.979 19.153 -1.645 1.00 1.00 C ATOM 39 O THR A 3 -6.664 18.128 -1.628 1.00 1.00 O ATOM 40 CB THR A 3 -4.193 20.305 -3.105 1.00 1.00 C ATOM 41 OG1 THR A 3 -4.065 19.883 -4.476 1.00 1.00 O ATOM 42 CG2 THR A 3 -2.879 20.935 -2.646 1.00 1.00 C ATOM 0 H THR A 3 -4.988 17.479 -3.402 1.00 1.00 H new ATOM 0 HA THR A 3 -3.877 19.217 -1.314 1.00 1.00 H new ATOM 0 HB THR A 3 -5.005 21.030 -3.046 1.00 1.00 H new ATOM 0 HG1 THR A 3 -3.852 20.657 -5.038 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.633 21.776 -3.294 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.983 21.286 -1.619 1.00 1.00 H new ATOM 0 HG23 THR A 3 -2.082 20.193 -2.697 1.00 1.00 H new ATOM 50 N LYS A 4 -6.457 20.323 -1.234 1.00 1.00 N ATOM 51 CA LYS A 4 -7.795 20.429 -0.615 1.00 1.00 C ATOM 52 C LYS A 4 -8.938 19.964 -1.528 1.00 1.00 C ATOM 53 O LYS A 4 -9.776 19.166 -1.106 1.00 1.00 O ATOM 54 CB LYS A 4 -8.109 21.852 -0.122 1.00 1.00 C ATOM 55 CG LYS A 4 -7.285 22.348 1.073 1.00 1.00 C ATOM 56 CD LYS A 4 -5.799 22.482 0.766 1.00 1.00 C ATOM 57 CE LYS A 4 -5.072 23.249 1.866 1.00 1.00 C ATOM 58 NZ LYS A 4 -5.504 24.673 1.932 1.00 1.00 N ATOM 0 H LYS A 4 -5.954 21.207 -1.312 1.00 1.00 H new ATOM 0 HA LYS A 4 -7.742 19.752 0.238 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -7.961 22.543 -0.952 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -9.165 21.897 0.146 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.671 23.315 1.395 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -7.416 21.659 1.907 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -5.357 21.491 0.658 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -5.667 22.996 -0.186 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -5.258 22.769 2.827 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -3.997 23.204 1.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -4.790 25.229 2.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -5.609 25.049 0.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -6.415 24.737 2.430 1.00 1.00 H new ATOM 72 N GLU A 5 -8.977 20.413 -2.775 1.00 1.00 N ATOM 73 CA GLU A 5 -10.074 20.001 -3.659 1.00 1.00 C ATOM 74 C GLU A 5 -9.806 18.609 -4.212 1.00 1.00 C ATOM 75 O GLU A 5 -10.646 18.008 -4.880 1.00 1.00 O ATOM 76 CB GLU A 5 -10.318 20.988 -4.801 1.00 1.00 C ATOM 77 CG GLU A 5 -10.626 22.408 -4.344 1.00 1.00 C ATOM 78 CD GLU A 5 -9.385 23.187 -3.948 1.00 1.00 C ATOM 79 OE1 GLU A 5 -8.626 23.590 -4.850 1.00 1.00 O ATOM 80 OE2 GLU A 5 -9.162 23.375 -2.732 1.00 1.00 O ATOM 0 H GLU A 5 -8.291 21.041 -3.193 1.00 1.00 H new ATOM 0 HA GLU A 5 -10.982 19.987 -3.055 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -9.438 21.008 -5.443 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -11.148 20.626 -5.408 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -11.140 22.938 -5.146 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -11.310 22.370 -3.496 1.00 1.00 H new ATOM 87 N GLU A 6 -8.641 18.082 -3.878 1.00 1.00 N ATOM 88 CA GLU A 6 -8.245 16.754 -4.291 1.00 1.00 C ATOM 89 C GLU A 6 -8.822 15.783 -3.277 1.00 1.00 C ATOM 90 O GLU A 6 -9.125 14.624 -3.570 1.00 1.00 O ATOM 91 CB GLU A 6 -6.736 16.698 -4.319 1.00 1.00 C ATOM 92 CG GLU A 6 -6.141 17.573 -5.413 1.00 1.00 C ATOM 93 CD GLU A 6 -6.707 17.251 -6.785 1.00 1.00 C ATOM 94 OE1 GLU A 6 -6.141 16.371 -7.467 1.00 1.00 O ATOM 95 OE2 GLU A 6 -7.722 17.867 -7.170 1.00 1.00 O ATOM 0 H GLU A 6 -7.944 18.566 -3.312 1.00 1.00 H new ATOM 0 HA GLU A 6 -8.612 16.497 -5.285 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -6.346 17.015 -3.352 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -6.417 15.667 -4.469 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -6.333 18.621 -5.181 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -5.059 17.443 -5.430 1.00 1.00 H new ATOM 102 N LYS A 7 -8.979 16.301 -2.053 1.00 1.00 N ATOM 103 CA LYS A 7 -9.587 15.567 -0.977 1.00 1.00 C ATOM 104 C LYS A 7 -11.080 15.509 -1.260 1.00 1.00 C ATOM 105 O LYS A 7 -11.708 14.458 -1.183 1.00 1.00 O ATOM 106 CB LYS A 7 -9.343 16.296 0.342 1.00 1.00 C ATOM 107 CG LYS A 7 -7.887 16.358 0.769 1.00 1.00 C ATOM 108 CD LYS A 7 -7.355 14.991 1.158 1.00 1.00 C ATOM 109 CE LYS A 7 -5.938 15.093 1.694 1.00 1.00 C ATOM 110 NZ LYS A 7 -5.438 13.789 2.199 1.00 1.00 N ATOM 0 H LYS A 7 -8.682 17.243 -1.798 1.00 1.00 H new ATOM 0 HA LYS A 7 -9.166 14.564 -0.902 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -9.727 17.313 0.257 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.918 15.803 1.126 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -7.286 16.764 -0.045 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.784 17.041 1.612 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.003 14.546 1.913 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -7.374 14.329 0.292 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -5.277 15.454 0.906 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -5.907 15.829 2.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -4.468 13.904 2.555 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -6.053 13.456 2.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -5.443 13.093 1.427 1.00 1.00 H new ATOM 124 N GLN A 8 -11.623 16.674 -1.629 1.00 1.00 N ATOM 125 CA GLN A 8 -13.034 16.809 -1.982 1.00 1.00 C ATOM 126 C GLN A 8 -13.365 15.888 -3.155 1.00 1.00 C ATOM 127 O GLN A 8 -14.462 15.347 -3.256 1.00 1.00 O ATOM 128 CB GLN A 8 -13.336 18.263 -2.348 1.00 1.00 C ATOM 129 CG GLN A 8 -13.102 19.241 -1.205 1.00 1.00 C ATOM 130 CD GLN A 8 -14.026 18.989 -0.028 1.00 1.00 C ATOM 131 OE1 GLN A 8 -15.132 19.508 0.031 1.00 1.00 O ATOM 132 NE2 GLN A 8 -13.579 18.190 0.923 1.00 1.00 N ATOM 0 H GLN A 8 -11.096 17.545 -1.690 1.00 1.00 H new ATOM 0 HA GLN A 8 -13.649 16.524 -1.128 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -12.714 18.552 -3.195 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -14.374 18.339 -2.673 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -12.067 19.166 -0.873 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -13.248 20.259 -1.566 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -12.652 17.773 0.844 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -14.161 17.990 1.737 1.00 1.00 H new ATOM 141 N LYS A 9 -12.389 15.733 -4.039 1.00 1.00 N ATOM 142 CA LYS A 9 -12.499 14.855 -5.193 1.00 1.00 C ATOM 143 C LYS A 9 -12.727 13.401 -4.735 1.00 1.00 C ATOM 144 O LYS A 9 -13.724 12.780 -5.088 1.00 1.00 O ATOM 145 CB LYS A 9 -11.206 14.977 -6.002 1.00 1.00 C ATOM 146 CG LYS A 9 -11.139 14.133 -7.257 1.00 1.00 C ATOM 147 CD LYS A 9 -9.809 14.354 -7.959 1.00 1.00 C ATOM 148 CE LYS A 9 -9.697 13.547 -9.239 1.00 1.00 C ATOM 149 NZ LYS A 9 -9.663 12.082 -8.975 1.00 1.00 N ATOM 0 H LYS A 9 -11.493 16.217 -3.974 1.00 1.00 H new ATOM 0 HA LYS A 9 -13.350 15.141 -5.812 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -11.070 16.022 -6.280 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -10.369 14.707 -5.359 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -11.256 13.079 -7.004 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -11.960 14.393 -7.925 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -9.692 15.413 -8.188 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -8.995 14.081 -7.287 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -10.541 13.779 -9.888 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -8.794 13.840 -9.774 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -9.603 11.568 -9.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.833 11.854 -8.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -10.529 11.800 -8.472 1.00 1.00 H new ATOM 163 N VAL A 10 -11.811 12.888 -3.907 1.00 1.00 N ATOM 164 CA VAL A 10 -11.908 11.513 -3.381 1.00 1.00 C ATOM 165 C VAL A 10 -13.186 11.314 -2.554 1.00 1.00 C ATOM 166 O VAL A 10 -13.853 10.281 -2.633 1.00 1.00 O ATOM 167 CB VAL A 10 -10.688 11.175 -2.484 1.00 1.00 C ATOM 168 CG1 VAL A 10 -10.780 9.762 -1.920 1.00 1.00 C ATOM 169 CG2 VAL A 10 -9.390 11.351 -3.252 1.00 1.00 C ATOM 0 H VAL A 10 -10.991 13.401 -3.583 1.00 1.00 H new ATOM 0 HA VAL A 10 -11.930 10.849 -4.245 1.00 1.00 H new ATOM 0 HB VAL A 10 -10.698 11.872 -1.646 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.908 9.561 -1.297 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -11.685 9.668 -1.319 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -10.813 9.044 -2.740 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.548 11.109 -2.604 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -9.386 10.687 -4.116 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -9.303 12.384 -3.588 1.00 1.00 H new ATOM 179 N ILE A 11 -13.527 12.339 -1.802 1.00 1.00 N ATOM 180 CA ILE A 11 -14.692 12.339 -0.919 1.00 1.00 C ATOM 181 C ILE A 11 -15.989 12.320 -1.712 1.00 1.00 C ATOM 182 O ILE A 11 -17.025 11.858 -1.242 1.00 1.00 O ATOM 183 CB ILE A 11 -14.590 13.575 -0.002 1.00 1.00 C ATOM 184 CG1 ILE A 11 -13.977 13.148 1.326 1.00 1.00 C ATOM 185 CG2 ILE A 11 -15.904 14.323 0.182 1.00 1.00 C ATOM 186 CD1 ILE A 11 -12.607 12.541 1.123 1.00 1.00 C ATOM 0 H ILE A 11 -13.000 13.212 -1.781 1.00 1.00 H new ATOM 0 HA ILE A 11 -14.703 11.435 -0.310 1.00 1.00 H new ATOM 0 HB ILE A 11 -13.942 14.302 -0.492 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -13.902 14.010 1.989 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -14.630 12.425 1.816 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -15.747 15.178 0.840 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -16.263 14.671 -0.786 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -16.644 13.656 0.625 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -12.193 12.245 2.087 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -12.689 11.665 0.479 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -11.950 13.274 0.656 1.00 1.00 H new ATOM 198 N GLN A 12 -15.924 12.816 -2.923 1.00 1.00 N ATOM 199 CA GLN A 12 -17.080 12.819 -3.775 1.00 1.00 C ATOM 200 C GLN A 12 -17.129 11.569 -4.672 1.00 1.00 C ATOM 201 O GLN A 12 -18.147 10.891 -4.738 1.00 1.00 O ATOM 202 CB GLN A 12 -17.087 14.071 -4.626 1.00 1.00 C ATOM 203 CG GLN A 12 -18.296 14.135 -5.530 1.00 1.00 C ATOM 204 CD GLN A 12 -18.382 15.429 -6.290 1.00 1.00 C ATOM 205 OE1 GLN A 12 -17.863 15.556 -7.387 1.00 1.00 O ATOM 206 NE2 GLN A 12 -19.037 16.408 -5.710 1.00 1.00 N ATOM 0 H GLN A 12 -15.084 13.221 -3.337 1.00 1.00 H new ATOM 0 HA GLN A 12 -17.965 12.804 -3.140 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -17.071 14.949 -3.980 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -16.180 14.104 -5.230 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -18.262 13.305 -6.236 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -19.199 14.008 -4.933 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -19.458 16.266 -4.792 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -19.124 17.310 -6.177 1.00 1.00 H new ATOM 215 N GLU A 13 -16.015 11.256 -5.338 1.00 1.00 N ATOM 216 CA GLU A 13 -15.952 10.100 -6.255 1.00 1.00 C ATOM 217 C GLU A 13 -16.246 8.777 -5.562 1.00 1.00 C ATOM 218 O GLU A 13 -17.010 7.947 -6.054 1.00 1.00 O ATOM 219 CB GLU A 13 -14.558 9.962 -6.885 1.00 1.00 C ATOM 220 CG GLU A 13 -14.121 11.125 -7.752 1.00 1.00 C ATOM 221 CD GLU A 13 -12.802 10.855 -8.458 1.00 1.00 C ATOM 222 OE1 GLU A 13 -11.734 11.005 -7.819 1.00 1.00 O ATOM 223 OE2 GLU A 13 -12.821 10.508 -9.653 1.00 1.00 O ATOM 0 H GLU A 13 -15.143 11.781 -5.264 1.00 1.00 H new ATOM 0 HA GLU A 13 -16.713 10.300 -7.009 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -13.828 9.831 -6.086 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.538 9.054 -7.487 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -14.892 11.332 -8.494 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.024 12.019 -7.135 1.00 1.00 H new ATOM 230 N PHE A 14 -15.623 8.577 -4.428 1.00 1.00 N ATOM 231 CA PHE A 14 -15.771 7.328 -3.709 1.00 1.00 C ATOM 232 C PHE A 14 -16.901 7.373 -2.690 1.00 1.00 C ATOM 233 O PHE A 14 -17.900 6.663 -2.834 1.00 1.00 O ATOM 234 CB PHE A 14 -14.446 6.992 -3.041 1.00 1.00 C ATOM 235 CG PHE A 14 -13.396 6.581 -4.032 1.00 1.00 C ATOM 236 CD1 PHE A 14 -12.587 7.527 -4.643 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.228 5.246 -4.362 1.00 1.00 C ATOM 238 CE1 PHE A 14 -11.630 7.148 -5.566 1.00 1.00 C ATOM 239 CE2 PHE A 14 -12.274 4.862 -5.285 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.472 5.814 -5.885 1.00 1.00 C ATOM 0 H PHE A 14 -15.009 9.258 -3.980 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.039 6.548 -4.421 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -14.094 7.858 -2.481 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.598 6.187 -2.322 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -12.706 8.571 -4.395 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.849 4.497 -3.893 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.007 7.894 -6.037 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -12.155 3.819 -5.537 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.722 5.515 -6.603 1.00 1.00 H new ATOM 250 N ALA A 15 -16.732 8.199 -1.667 1.00 1.00 N ATOM 251 CA ALA A 15 -17.733 8.336 -0.619 1.00 1.00 C ATOM 252 C ALA A 15 -19.086 8.757 -1.200 1.00 1.00 C ATOM 253 O ALA A 15 -19.224 9.816 -1.807 1.00 1.00 O ATOM 254 CB ALA A 15 -17.251 9.319 0.428 1.00 1.00 C ATOM 0 H ALA A 15 -15.908 8.786 -1.541 1.00 1.00 H new ATOM 0 HA ALA A 15 -17.876 7.366 -0.142 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -18.005 9.417 1.209 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -16.320 8.958 0.865 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -17.081 10.291 -0.036 1.00 1.00 H new ATOM 260 N ARG A 16 -20.089 7.928 -0.974 1.00 1.00 N ATOM 261 CA ARG A 16 -21.428 8.164 -1.514 1.00 1.00 C ATOM 262 C ARG A 16 -22.236 9.115 -0.638 1.00 1.00 C ATOM 263 O ARG A 16 -23.264 9.658 -1.053 1.00 1.00 O ATOM 264 CB ARG A 16 -22.168 6.841 -1.599 1.00 1.00 C ATOM 265 CG ARG A 16 -21.434 5.775 -2.383 1.00 1.00 C ATOM 266 CD ARG A 16 -22.183 4.449 -2.320 1.00 1.00 C ATOM 267 NE ARG A 16 -23.556 4.581 -2.838 1.00 1.00 N ATOM 268 CZ ARG A 16 -24.642 4.210 -2.212 1.00 1.00 C ATOM 269 NH1 ARG A 16 -24.590 3.637 -1.049 1.00 1.00 N ATOM 270 NH2 ARG A 16 -25.793 4.438 -2.760 1.00 1.00 N ATOM 0 H ARG A 16 -20.007 7.078 -0.417 1.00 1.00 H new ATOM 0 HA ARG A 16 -21.315 8.618 -2.499 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -22.351 6.473 -0.589 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -23.142 7.010 -2.059 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -21.327 6.089 -3.421 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -20.428 5.650 -1.982 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -21.645 3.698 -2.898 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -22.214 4.096 -1.289 1.00 1.00 H new ATOM 0 HE ARG A 16 -23.669 4.997 -3.763 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -23.688 3.467 -0.604 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -25.451 3.356 -0.580 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -25.843 4.901 -3.667 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -26.650 4.155 -2.284 1.00 1.00 H new ATOM 284 N PHE A 17 -21.758 9.301 0.581 1.00 1.00 N ATOM 285 CA PHE A 17 -22.410 10.134 1.557 1.00 1.00 C ATOM 286 C PHE A 17 -21.344 10.806 2.422 1.00 1.00 C ATOM 287 O PHE A 17 -20.194 10.370 2.437 1.00 1.00 O ATOM 288 CB PHE A 17 -23.324 9.284 2.460 1.00 1.00 C ATOM 289 CG PHE A 17 -24.475 8.602 1.764 1.00 1.00 C ATOM 290 CD1 PHE A 17 -25.631 9.304 1.458 1.00 1.00 C ATOM 291 CD2 PHE A 17 -24.406 7.256 1.429 1.00 1.00 C ATOM 292 CE1 PHE A 17 -26.693 8.679 0.829 1.00 1.00 C ATOM 293 CE2 PHE A 17 -25.467 6.627 0.799 1.00 1.00 C ATOM 294 CZ PHE A 17 -26.610 7.340 0.498 1.00 1.00 C ATOM 0 H PHE A 17 -20.897 8.870 0.917 1.00 1.00 H new ATOM 0 HA PHE A 17 -23.014 10.882 1.044 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -22.716 8.523 2.949 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -23.726 9.924 3.246 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -25.703 10.351 1.714 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -23.514 6.693 1.663 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -27.587 9.238 0.597 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -25.400 5.580 0.544 1.00 1.00 H new ATOM 0 HZ PHE A 17 -27.438 6.852 0.005 1.00 1.00 H new ATOM 304 N PRO A 18 -21.684 11.880 3.149 1.00 1.00 N ATOM 305 CA PRO A 18 -20.722 12.547 4.040 1.00 1.00 C ATOM 306 C PRO A 18 -20.269 11.623 5.183 1.00 1.00 C ATOM 307 O PRO A 18 -19.199 11.802 5.761 1.00 1.00 O ATOM 308 CB PRO A 18 -21.502 13.749 4.575 1.00 1.00 C ATOM 309 CG PRO A 18 -22.607 13.948 3.593 1.00 1.00 C ATOM 310 CD PRO A 18 -22.981 12.571 3.126 1.00 1.00 C ATOM 0 HA PRO A 18 -19.804 12.830 3.525 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -21.890 13.556 5.575 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -20.869 14.634 4.644 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -23.457 14.450 4.055 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -22.284 14.571 2.759 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -23.707 12.099 3.788 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -23.420 12.583 2.128 1.00 1.00 H new ATOM 318 N GLY A 19 -21.106 10.638 5.513 1.00 1.00 N ATOM 319 CA GLY A 19 -20.757 9.671 6.541 1.00 1.00 C ATOM 320 C GLY A 19 -20.162 8.404 5.929 1.00 1.00 C ATOM 321 O GLY A 19 -19.586 7.574 6.624 1.00 1.00 O ATOM 0 H GLY A 19 -22.021 10.494 5.085 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -20.041 10.114 7.233 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -21.644 9.416 7.120 1.00 1.00 H new ATOM 325 N ASP A 20 -20.271 8.294 4.604 1.00 1.00 N ATOM 326 CA ASP A 20 -19.755 7.140 3.851 1.00 1.00 C ATOM 327 C ASP A 20 -18.317 7.441 3.412 1.00 1.00 C ATOM 328 O ASP A 20 -17.757 6.846 2.494 1.00 1.00 O ATOM 329 CB ASP A 20 -20.684 6.879 2.656 1.00 1.00 C ATOM 330 CG ASP A 20 -20.308 5.671 1.824 1.00 1.00 C ATOM 331 OD1 ASP A 20 -20.468 4.541 2.316 1.00 1.00 O ATOM 332 OD2 ASP A 20 -19.875 5.855 0.668 1.00 1.00 O ATOM 0 H ASP A 20 -20.719 9.000 4.019 1.00 1.00 H new ATOM 0 HA ASP A 20 -19.735 6.239 4.465 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -21.702 6.749 3.024 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -20.687 7.760 2.014 1.00 1.00 H new ATOM 337 N THR A 21 -17.725 8.366 4.143 1.00 1.00 N ATOM 338 CA THR A 21 -16.375 8.835 3.904 1.00 1.00 C ATOM 339 C THR A 21 -15.361 7.960 4.623 1.00 1.00 C ATOM 340 O THR A 21 -14.206 7.853 4.221 1.00 1.00 O ATOM 341 CB THR A 21 -16.262 10.270 4.414 1.00 1.00 C ATOM 342 OG1 THR A 21 -16.898 10.359 5.700 1.00 1.00 O ATOM 343 CG2 THR A 21 -16.935 11.224 3.441 1.00 1.00 C ATOM 0 H THR A 21 -18.179 8.821 4.935 1.00 1.00 H new ATOM 0 HA THR A 21 -16.165 8.791 2.835 1.00 1.00 H new ATOM 0 HB THR A 21 -15.211 10.544 4.501 1.00 1.00 H new ATOM 0 HG1 THR A 21 -17.761 10.814 5.607 1.00 1.00 H new ATOM 0 HG21 THR A 21 -16.849 12.245 3.814 1.00 1.00 H new ATOM 0 HG22 THR A 21 -16.451 11.151 2.467 1.00 1.00 H new ATOM 0 HG23 THR A 21 -17.988 10.961 3.343 1.00 1.00 H new ATOM 351 N GLY A 22 -15.814 7.343 5.700 1.00 1.00 N ATOM 352 CA GLY A 22 -14.966 6.450 6.460 1.00 1.00 C ATOM 353 C GLY A 22 -15.186 5.019 6.026 1.00 1.00 C ATOM 354 O GLY A 22 -14.716 4.071 6.654 1.00 1.00 O ATOM 0 H GLY A 22 -16.761 7.445 6.065 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -13.920 6.723 6.319 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -15.181 6.551 7.524 1.00 1.00 H new ATOM 358 N SER A 23 -15.930 4.878 4.943 1.00 1.00 N ATOM 359 CA SER A 23 -16.237 3.583 4.379 1.00 1.00 C ATOM 360 C SER A 23 -15.001 2.941 3.771 1.00 1.00 C ATOM 361 O SER A 23 -14.117 3.608 3.238 1.00 1.00 O ATOM 362 CB SER A 23 -17.348 3.712 3.345 1.00 1.00 C ATOM 363 OG SER A 23 -18.504 4.265 3.951 1.00 1.00 O ATOM 0 H SER A 23 -16.337 5.661 4.432 1.00 1.00 H new ATOM 0 HA SER A 23 -16.583 2.932 5.182 1.00 1.00 H new ATOM 0 HB2 SER A 23 -17.019 4.346 2.521 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.580 2.734 2.922 1.00 1.00 H new ATOM 0 HG SER A 23 -19.290 4.060 3.403 1.00 1.00 H new ATOM 369 N THR A 24 -14.987 1.635 3.827 1.00 1.00 N ATOM 370 CA THR A 24 -13.869 0.820 3.359 1.00 1.00 C ATOM 371 C THR A 24 -13.386 1.156 1.937 1.00 1.00 C ATOM 372 O THR A 24 -12.191 1.320 1.715 1.00 1.00 O ATOM 373 CB THR A 24 -14.264 -0.658 3.453 1.00 1.00 C ATOM 374 OG1 THR A 24 -14.962 -0.877 4.692 1.00 1.00 O ATOM 375 CG2 THR A 24 -13.045 -1.552 3.398 1.00 1.00 C ATOM 0 H THR A 24 -15.760 1.087 4.204 1.00 1.00 H new ATOM 0 HA THR A 24 -13.022 1.045 4.007 1.00 1.00 H new ATOM 0 HB THR A 24 -14.905 -0.903 2.606 1.00 1.00 H new ATOM 0 HG1 THR A 24 -15.220 -1.820 4.760 1.00 1.00 H new ATOM 0 HG21 THR A 24 -13.355 -2.595 3.467 1.00 1.00 H new ATOM 0 HG22 THR A 24 -12.518 -1.391 2.457 1.00 1.00 H new ATOM 0 HG23 THR A 24 -12.382 -1.315 4.230 1.00 1.00 H new ATOM 383 N GLU A 25 -14.304 1.276 0.989 1.00 1.00 N ATOM 384 CA GLU A 25 -13.941 1.598 -0.403 1.00 1.00 C ATOM 385 C GLU A 25 -13.180 2.929 -0.490 1.00 1.00 C ATOM 386 O GLU A 25 -12.211 3.061 -1.238 1.00 1.00 O ATOM 387 CB GLU A 25 -15.202 1.668 -1.264 1.00 1.00 C ATOM 388 CG GLU A 25 -15.828 0.309 -1.523 1.00 1.00 C ATOM 389 CD GLU A 25 -17.043 0.389 -2.427 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.872 0.503 -3.660 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.176 0.347 -1.913 1.00 1.00 O ATOM 0 H GLU A 25 -15.305 1.158 1.147 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.286 0.809 -0.772 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.934 2.310 -0.773 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.957 2.135 -2.218 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -15.086 -0.348 -1.976 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.116 -0.141 -0.573 1.00 1.00 H new ATOM 398 N VAL A 26 -13.622 3.907 0.291 1.00 1.00 N ATOM 399 CA VAL A 26 -12.986 5.221 0.330 1.00 1.00 C ATOM 400 C VAL A 26 -11.601 5.119 0.967 1.00 1.00 C ATOM 401 O VAL A 26 -10.667 5.822 0.583 1.00 1.00 O ATOM 402 CB VAL A 26 -13.841 6.215 1.135 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.312 7.635 1.000 1.00 1.00 C ATOM 404 CG2 VAL A 26 -15.293 6.135 0.696 1.00 1.00 C ATOM 0 H VAL A 26 -14.426 3.815 0.912 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.891 5.580 -0.695 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.780 5.941 2.188 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -13.938 8.313 1.580 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -12.288 7.679 1.371 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.331 7.932 -0.049 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -15.887 6.843 1.273 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -15.367 6.379 -0.364 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -15.669 5.125 0.863 1.00 1.00 H new ATOM 414 N GLN A 27 -11.469 4.211 1.928 1.00 1.00 N ATOM 415 CA GLN A 27 -10.193 4.005 2.595 1.00 1.00 C ATOM 416 C GLN A 27 -9.229 3.279 1.649 1.00 1.00 C ATOM 417 O GLN A 27 -8.013 3.406 1.762 1.00 1.00 O ATOM 418 CB GLN A 27 -10.376 3.250 3.907 1.00 1.00 C ATOM 419 CG GLN A 27 -11.320 3.956 4.872 1.00 1.00 C ATOM 420 CD GLN A 27 -10.821 5.328 5.288 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.111 6.332 4.654 1.00 1.00 O ATOM 422 NE2 GLN A 27 -10.067 5.381 6.367 1.00 1.00 N ATOM 0 H GLN A 27 -12.225 3.611 2.259 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.761 4.974 2.847 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -10.761 2.252 3.695 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.405 3.122 4.385 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.300 4.057 4.405 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -11.452 3.338 5.760 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -9.842 4.525 6.875 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.708 6.278 6.695 1.00 1.00 H new ATOM 431 N VAL A 28 -9.788 2.502 0.718 1.00 1.00 N ATOM 432 CA VAL A 28 -8.984 1.839 -0.304 1.00 1.00 C ATOM 433 C VAL A 28 -8.494 2.899 -1.275 1.00 1.00 C ATOM 434 O VAL A 28 -7.402 2.811 -1.836 1.00 1.00 O ATOM 435 CB VAL A 28 -9.776 0.773 -1.081 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.925 0.125 -2.166 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.312 -0.282 -0.139 1.00 1.00 C ATOM 0 H VAL A 28 -10.789 2.319 0.653 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.158 1.328 0.190 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.614 1.274 -1.565 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.517 -0.623 -2.694 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.591 0.887 -2.870 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.058 -0.354 -1.711 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.869 -1.027 -0.707 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.482 -0.765 0.377 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.972 0.185 0.593 1.00 1.00 H new ATOM 447 N ALA A 29 -9.313 3.928 -1.449 1.00 1.00 N ATOM 448 CA ALA A 29 -8.953 5.031 -2.314 1.00 1.00 C ATOM 449 C ALA A 29 -7.717 5.708 -1.753 1.00 1.00 C ATOM 450 O ALA A 29 -6.758 5.982 -2.469 1.00 1.00 O ATOM 451 CB ALA A 29 -10.091 6.026 -2.441 1.00 1.00 C ATOM 0 H ALA A 29 -10.226 4.017 -1.003 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.745 4.647 -3.313 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.789 6.842 -3.097 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.965 5.528 -2.861 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.338 6.424 -1.457 1.00 1.00 H new ATOM 457 N LEU A 30 -7.719 5.935 -0.453 1.00 1.00 N ATOM 458 CA LEU A 30 -6.571 6.561 0.166 1.00 1.00 C ATOM 459 C LEU A 30 -5.418 5.550 0.344 1.00 1.00 C ATOM 460 O LEU A 30 -4.249 5.932 0.345 1.00 1.00 O ATOM 461 CB LEU A 30 -6.963 7.300 1.462 1.00 1.00 C ATOM 462 CG LEU A 30 -7.418 6.468 2.676 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.245 5.821 3.405 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.189 7.368 3.633 1.00 1.00 C ATOM 0 H LEU A 30 -8.484 5.701 0.180 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.190 7.333 -0.503 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.107 7.899 1.773 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.766 7.995 1.217 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.055 5.662 2.313 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.616 5.245 4.253 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.713 5.159 2.722 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.566 6.596 3.762 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.515 6.787 4.496 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.545 8.182 3.966 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.060 7.780 3.123 1.00 1.00 H new ATOM 476 N LEU A 31 -5.740 4.254 0.436 1.00 1.00 N ATOM 477 CA LEU A 31 -4.707 3.228 0.560 1.00 1.00 C ATOM 478 C LEU A 31 -3.934 3.139 -0.770 1.00 1.00 C ATOM 479 O LEU A 31 -2.713 2.983 -0.799 1.00 1.00 O ATOM 480 CB LEU A 31 -5.329 1.886 1.032 1.00 1.00 C ATOM 481 CG LEU A 31 -5.761 0.810 -0.016 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.587 0.171 -0.742 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.568 -0.275 0.686 1.00 1.00 C ATOM 0 H LEU A 31 -6.696 3.898 0.427 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.982 3.491 1.330 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.610 1.414 1.702 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.209 2.129 1.628 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.359 1.322 -0.770 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.957 -0.566 -1.454 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.026 0.940 -1.274 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.935 -0.319 -0.019 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.873 -1.029 -0.040 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.956 -0.741 1.458 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.453 0.168 1.142 1.00 1.00 H new ATOM 495 N THR A 32 -4.658 3.314 -1.867 1.00 1.00 N ATOM 496 CA THR A 32 -4.059 3.299 -3.198 1.00 1.00 C ATOM 497 C THR A 32 -3.211 4.566 -3.403 1.00 1.00 C ATOM 498 O THR A 32 -2.129 4.509 -3.982 1.00 1.00 O ATOM 499 CB THR A 32 -5.146 3.172 -4.285 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.982 2.040 -3.994 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.541 2.995 -5.667 1.00 1.00 C ATOM 0 H THR A 32 -5.666 3.469 -1.863 1.00 1.00 H new ATOM 0 HA THR A 32 -3.407 2.430 -3.283 1.00 1.00 H new ATOM 0 HB THR A 32 -5.730 4.093 -4.282 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.686 2.306 -3.366 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.339 2.909 -6.405 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.918 3.857 -5.905 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.932 2.091 -5.684 1.00 1.00 H new ATOM 509 N LEU A 33 -3.695 5.711 -2.901 1.00 1.00 N ATOM 510 CA LEU A 33 -2.931 6.966 -2.985 1.00 1.00 C ATOM 511 C LEU A 33 -1.631 6.818 -2.181 1.00 1.00 C ATOM 512 O LEU A 33 -0.579 7.324 -2.571 1.00 1.00 O ATOM 513 CB LEU A 33 -3.745 8.153 -2.452 1.00 1.00 C ATOM 514 CG LEU A 33 -5.039 8.463 -3.213 1.00 1.00 C ATOM 515 CD1 LEU A 33 -5.773 9.625 -2.559 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.753 8.776 -4.676 1.00 1.00 C ATOM 0 H LEU A 33 -4.600 5.795 -2.438 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.702 7.164 -4.032 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -3.995 7.960 -1.409 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.113 9.041 -2.469 1.00 1.00 H new ATOM 0 HG LEU A 33 -5.674 7.578 -3.173 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -6.690 9.833 -3.111 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -6.020 9.366 -1.529 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -5.136 10.509 -2.568 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -5.689 8.992 -5.192 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -4.095 9.642 -4.741 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.271 7.918 -5.144 1.00 1.00 H new ATOM 528 N ARG A 34 -1.718 6.131 -1.035 1.00 1.00 N ATOM 529 CA ARG A 34 -0.538 5.858 -0.212 1.00 1.00 C ATOM 530 C ARG A 34 0.480 5.043 -1.019 1.00 1.00 C ATOM 531 O ARG A 34 1.637 5.433 -1.141 1.00 1.00 O ATOM 532 CB ARG A 34 -0.911 5.079 1.057 1.00 1.00 C ATOM 533 CG ARG A 34 -1.566 5.916 2.149 1.00 1.00 C ATOM 534 CD ARG A 34 -0.565 6.828 2.872 1.00 1.00 C ATOM 535 NE ARG A 34 -0.027 7.904 2.017 1.00 1.00 N ATOM 536 CZ ARG A 34 1.158 8.453 2.158 1.00 1.00 C ATOM 537 NH1 ARG A 34 2.023 7.967 2.988 1.00 1.00 N ATOM 538 NH2 ARG A 34 1.486 9.472 1.429 1.00 1.00 N ATOM 0 H ARG A 34 -2.590 5.757 -0.660 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.106 6.815 0.082 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.588 4.269 0.784 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.010 4.619 1.462 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.356 6.525 1.710 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.039 5.254 2.875 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.052 7.273 3.740 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.262 6.223 3.245 1.00 1.00 H new ATOM 0 HE ARG A 34 -0.619 8.247 1.261 1.00 1.00 H new ATOM 0 HH11 ARG A 34 1.789 7.145 3.545 1.00 1.00 H new ATOM 0 HH12 ARG A 34 2.939 8.406 3.085 1.00 1.00 H new ATOM 0 HH21 ARG A 34 0.825 9.846 0.748 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.405 9.901 1.536 1.00 1.00 H new ATOM 552 N ILE A 35 0.023 3.922 -1.594 1.00 1.00 N ATOM 553 CA ILE A 35 0.886 3.053 -2.407 1.00 1.00 C ATOM 554 C ILE A 35 1.421 3.816 -3.630 1.00 1.00 C ATOM 555 O ILE A 35 2.568 3.639 -4.039 1.00 1.00 O ATOM 556 CB ILE A 35 0.130 1.775 -2.847 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.305 0.988 -1.603 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.995 0.908 -3.757 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.086 -0.275 -1.901 1.00 1.00 C ATOM 0 H ILE A 35 -0.940 3.595 -1.511 1.00 1.00 H new ATOM 0 HA ILE A 35 1.734 2.747 -1.793 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.752 2.067 -3.416 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.582 0.724 -1.027 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -0.914 1.636 -0.973 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.437 0.018 -4.049 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.268 1.474 -4.648 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.899 0.611 -3.225 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.352 -0.767 -0.966 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.994 -0.021 -2.449 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.475 -0.947 -2.503 1.00 1.00 H new ATOM 571 N ASN A 36 0.577 4.671 -4.196 1.00 1.00 N ATOM 572 CA ASN A 36 0.952 5.515 -5.332 1.00 1.00 C ATOM 573 C ASN A 36 2.097 6.454 -4.950 1.00 1.00 C ATOM 574 O ASN A 36 3.129 6.514 -5.613 1.00 1.00 O ATOM 575 CB ASN A 36 -0.250 6.364 -5.755 1.00 1.00 C ATOM 576 CG ASN A 36 0.064 7.320 -6.886 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.497 8.448 -6.669 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.173 6.887 -8.104 1.00 1.00 N ATOM 0 H ASN A 36 -0.385 4.801 -3.884 1.00 1.00 H new ATOM 0 HA ASN A 36 1.271 4.869 -6.150 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.063 5.705 -6.060 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.606 6.932 -4.896 1.00 1.00 H new ATOM 0 HD21 ASN A 36 0.003 7.494 -8.904 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.533 5.944 -8.249 1.00 1.00 H new ATOM 585 N ARG A 37 1.918 7.152 -3.839 1.00 1.00 N ATOM 586 CA ARG A 37 2.909 8.112 -3.374 1.00 1.00 C ATOM 587 C ARG A 37 4.154 7.377 -2.879 1.00 1.00 C ATOM 588 O ARG A 37 5.262 7.903 -2.934 1.00 1.00 O ATOM 589 CB ARG A 37 2.302 8.985 -2.278 1.00 1.00 C ATOM 590 CG ARG A 37 3.151 10.186 -1.902 1.00 1.00 C ATOM 591 CD ARG A 37 3.447 11.082 -3.112 1.00 1.00 C ATOM 592 NE ARG A 37 2.234 11.510 -3.842 1.00 1.00 N ATOM 593 CZ ARG A 37 2.255 12.227 -4.941 1.00 1.00 C ATOM 594 NH1 ARG A 37 3.369 12.693 -5.395 1.00 1.00 N ATOM 595 NH2 ARG A 37 1.152 12.500 -5.565 1.00 1.00 N ATOM 0 H ARG A 37 1.095 7.072 -3.242 1.00 1.00 H new ATOM 0 HA ARG A 37 3.209 8.760 -4.197 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.323 9.334 -2.607 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.141 8.375 -1.389 1.00 1.00 H new ATOM 0 HG2 ARG A 37 2.637 10.768 -1.137 1.00 1.00 H new ATOM 0 HG3 ARG A 37 4.090 9.844 -1.466 1.00 1.00 H new ATOM 0 HD2 ARG A 37 3.989 11.966 -2.775 1.00 1.00 H new ATOM 0 HD3 ARG A 37 4.104 10.547 -3.798 1.00 1.00 H new ATOM 0 HE ARG A 37 1.327 11.231 -3.469 1.00 1.00 H new ATOM 0 HH11 ARG A 37 4.240 12.505 -4.899 1.00 1.00 H new ATOM 0 HH12 ARG A 37 3.378 13.250 -6.250 1.00 1.00 H new ATOM 0 HH21 ARG A 37 0.262 12.157 -5.202 1.00 1.00 H new ATOM 0 HH22 ARG A 37 1.174 13.058 -6.419 1.00 1.00 H new ATOM 609 N LEU A 38 3.946 6.139 -2.414 1.00 1.00 N ATOM 610 CA LEU A 38 5.014 5.277 -1.944 1.00 1.00 C ATOM 611 C LEU A 38 5.901 4.939 -3.137 1.00 1.00 C ATOM 612 O LEU A 38 7.126 5.034 -3.077 1.00 1.00 O ATOM 613 CB LEU A 38 4.356 4.024 -1.338 1.00 1.00 C ATOM 614 CG LEU A 38 5.251 3.001 -0.620 1.00 1.00 C ATOM 615 CD1 LEU A 38 4.382 2.079 0.222 1.00 1.00 C ATOM 616 CD2 LEU A 38 6.060 2.162 -1.601 1.00 1.00 C ATOM 0 H LEU A 38 3.021 5.713 -2.357 1.00 1.00 H new ATOM 0 HA LEU A 38 5.635 5.748 -1.183 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.598 4.357 -0.629 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.834 3.503 -2.140 1.00 1.00 H new ATOM 0 HG LEU A 38 5.951 3.553 0.007 1.00 1.00 H new ATOM 0 HD11 LEU A 38 5.012 1.351 0.733 1.00 1.00 H new ATOM 0 HD12 LEU A 38 3.835 2.667 0.959 1.00 1.00 H new ATOM 0 HD13 LEU A 38 3.675 1.557 -0.422 1.00 1.00 H new ATOM 0 HD21 LEU A 38 6.678 1.453 -1.050 1.00 1.00 H new ATOM 0 HD22 LEU A 38 5.383 1.618 -2.259 1.00 1.00 H new ATOM 0 HD23 LEU A 38 6.699 2.814 -2.196 1.00 1.00 H new ATOM 628 N SER A 39 5.250 4.579 -4.231 1.00 1.00 N ATOM 629 CA SER A 39 5.934 4.271 -5.480 1.00 1.00 C ATOM 630 C SER A 39 6.730 5.476 -5.975 1.00 1.00 C ATOM 631 O SER A 39 7.907 5.368 -6.306 1.00 1.00 O ATOM 632 CB SER A 39 4.909 3.889 -6.550 1.00 1.00 C ATOM 633 OG SER A 39 5.514 3.785 -7.831 1.00 1.00 O ATOM 0 H SER A 39 4.235 4.492 -4.280 1.00 1.00 H new ATOM 0 HA SER A 39 6.617 3.441 -5.296 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.443 2.939 -6.287 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.116 4.636 -6.580 1.00 1.00 H new ATOM 0 HG SER A 39 5.374 4.618 -8.327 1.00 1.00 H new ATOM 639 N GLU A 40 6.109 6.650 -5.950 1.00 1.00 N ATOM 640 CA GLU A 40 6.770 7.857 -6.453 1.00 1.00 C ATOM 641 C GLU A 40 7.749 8.431 -5.434 1.00 1.00 C ATOM 642 O GLU A 40 8.460 9.398 -5.702 1.00 1.00 O ATOM 643 CB GLU A 40 5.740 8.885 -6.896 1.00 1.00 C ATOM 644 CG GLU A 40 4.720 8.298 -7.862 1.00 1.00 C ATOM 645 CD GLU A 40 5.374 7.537 -9.004 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.883 8.189 -9.947 1.00 1.00 O ATOM 647 OE2 GLU A 40 5.417 6.289 -8.950 1.00 1.00 O ATOM 0 H GLU A 40 5.164 6.795 -5.594 1.00 1.00 H new ATOM 0 HA GLU A 40 7.360 7.580 -7.327 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.224 9.280 -6.021 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.248 9.724 -7.372 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.052 7.629 -7.319 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.105 9.101 -8.269 1.00 1.00 H new ATOM 654 N HIS A 41 7.778 7.822 -4.261 1.00 1.00 N ATOM 655 CA HIS A 41 8.698 8.206 -3.218 1.00 1.00 C ATOM 656 C HIS A 41 9.975 7.371 -3.345 1.00 1.00 C ATOM 657 O HIS A 41 11.069 7.903 -3.500 1.00 1.00 O ATOM 658 CB HIS A 41 8.041 7.963 -1.862 1.00 1.00 C ATOM 659 CG HIS A 41 8.792 8.514 -0.693 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.562 9.761 -0.168 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.758 7.953 0.081 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.367 9.921 0.886 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.114 8.852 1.080 1.00 1.00 N ATOM 0 H HIS A 41 7.162 7.048 -4.010 1.00 1.00 H new ATOM 0 HA HIS A 41 8.953 9.262 -3.308 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.043 8.401 -1.874 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.916 6.889 -1.722 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.180 6.969 -0.057 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.401 10.810 1.499 1.00 1.00 H new ATOM 0 HE2 HIS A 41 10.810 8.713 1.813 1.00 1.00 H new ATOM 671 N LEU A 42 9.808 6.050 -3.360 1.00 1.00 N ATOM 672 CA LEU A 42 10.947 5.134 -3.442 1.00 1.00 C ATOM 673 C LEU A 42 11.520 5.019 -4.869 1.00 1.00 C ATOM 674 O LEU A 42 12.535 4.366 -5.083 1.00 1.00 O ATOM 675 CB LEU A 42 10.571 3.753 -2.898 1.00 1.00 C ATOM 676 CG LEU A 42 10.474 3.622 -1.361 1.00 1.00 C ATOM 677 CD1 LEU A 42 11.707 4.182 -0.662 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.216 4.287 -0.812 1.00 1.00 C ATOM 0 H LEU A 42 8.899 5.590 -3.317 1.00 1.00 H new ATOM 0 HA LEU A 42 11.735 5.558 -2.820 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.610 3.467 -3.326 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.307 3.033 -3.256 1.00 1.00 H new ATOM 0 HG LEU A 42 10.417 2.554 -1.150 1.00 1.00 H new ATOM 0 HD11 LEU A 42 11.596 4.069 0.417 1.00 1.00 H new ATOM 0 HD12 LEU A 42 12.592 3.639 -0.995 1.00 1.00 H new ATOM 0 HD13 LEU A 42 11.816 5.238 -0.907 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.187 4.172 0.272 1.00 1.00 H new ATOM 0 HD22 LEU A 42 9.225 5.347 -1.064 1.00 1.00 H new ATOM 0 HD23 LEU A 42 8.335 3.818 -1.251 1.00 1.00 H new ATOM 690 N LYS A 43 10.860 5.619 -5.851 1.00 1.00 N ATOM 691 CA LYS A 43 11.400 5.631 -7.215 1.00 1.00 C ATOM 692 C LYS A 43 12.348 6.837 -7.329 1.00 1.00 C ATOM 693 O LYS A 43 12.970 7.107 -8.358 1.00 1.00 O ATOM 694 CB LYS A 43 10.265 5.656 -8.242 1.00 1.00 C ATOM 695 CG LYS A 43 10.715 5.880 -9.680 1.00 1.00 C ATOM 696 CD LYS A 43 9.621 5.539 -10.685 1.00 1.00 C ATOM 697 CE LYS A 43 8.296 6.252 -10.404 1.00 1.00 C ATOM 698 NZ LYS A 43 8.393 7.738 -10.480 1.00 1.00 N ATOM 0 H LYS A 43 9.966 6.097 -5.739 1.00 1.00 H new ATOM 0 HA LYS A 43 11.965 4.723 -7.427 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.723 4.712 -8.188 1.00 1.00 H new ATOM 0 HB3 LYS A 43 9.562 6.443 -7.968 1.00 1.00 H new ATOM 0 HG2 LYS A 43 11.012 6.921 -9.808 1.00 1.00 H new ATOM 0 HG3 LYS A 43 11.595 5.270 -9.883 1.00 1.00 H new ATOM 0 HD2 LYS A 43 9.962 5.803 -11.686 1.00 1.00 H new ATOM 0 HD3 LYS A 43 9.454 4.462 -10.678 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.548 5.908 -11.119 1.00 1.00 H new ATOM 0 HE3 LYS A 43 7.943 5.969 -9.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.491 8.161 -10.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 9.155 8.069 -9.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.601 8.023 -11.458 1.00 1.00 H new ATOM 712 N VAL A 44 12.437 7.553 -6.211 1.00 1.00 N ATOM 713 CA VAL A 44 13.317 8.696 -6.043 1.00 1.00 C ATOM 714 C VAL A 44 14.321 8.315 -4.960 1.00 1.00 C ATOM 715 O VAL A 44 15.536 8.421 -5.130 1.00 1.00 O ATOM 716 CB VAL A 44 12.539 9.955 -5.615 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.490 11.111 -5.365 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.505 10.329 -6.665 1.00 1.00 C ATOM 0 H VAL A 44 11.884 7.346 -5.379 1.00 1.00 H new ATOM 0 HA VAL A 44 13.807 8.934 -6.987 1.00 1.00 H new ATOM 0 HB VAL A 44 12.016 9.734 -4.684 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.922 11.991 -5.064 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.189 10.842 -4.573 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.043 11.331 -6.278 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.966 11.221 -6.344 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.005 10.529 -7.613 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.801 9.506 -6.792 1.00 1.00 H new ATOM 728 N HIS A 45 13.777 7.840 -3.846 1.00 1.00 N ATOM 729 CA HIS A 45 14.577 7.343 -2.739 1.00 1.00 C ATOM 730 C HIS A 45 15.081 5.961 -3.141 1.00 1.00 C ATOM 731 O HIS A 45 14.397 4.946 -2.988 1.00 1.00 O ATOM 732 CB HIS A 45 13.740 7.332 -1.463 1.00 1.00 C ATOM 733 CG HIS A 45 13.504 8.712 -0.923 1.00 1.00 C ATOM 734 ND1 HIS A 45 14.124 9.225 0.195 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.698 9.703 -1.387 1.00 1.00 C ATOM 736 CE1 HIS A 45 13.685 10.480 0.371 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.821 10.816 -0.562 1.00 1.00 N ATOM 0 H HIS A 45 12.771 7.790 -3.687 1.00 1.00 H new ATOM 0 HA HIS A 45 15.435 7.981 -2.528 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.781 6.855 -1.665 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.243 6.730 -0.707 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.063 9.637 -2.258 1.00 1.00 H new ATOM 0 HE1 HIS A 45 14.000 11.130 1.174 1.00 1.00 H new ATOM 0 HE2 HIS A 45 12.340 11.710 -0.660 1.00 1.00 H new ATOM 745 N LYS A 46 16.302 5.964 -3.660 1.00 1.00 N ATOM 746 CA LYS A 46 16.932 4.784 -4.240 1.00 1.00 C ATOM 747 C LYS A 46 17.146 3.612 -3.298 1.00 1.00 C ATOM 748 O LYS A 46 18.197 3.459 -2.669 1.00 1.00 O ATOM 749 CB LYS A 46 18.233 5.169 -4.933 1.00 1.00 C ATOM 750 CG LYS A 46 18.035 6.162 -6.072 1.00 1.00 C ATOM 751 CD LYS A 46 19.352 6.508 -6.756 1.00 1.00 C ATOM 752 CE LYS A 46 20.315 7.200 -5.802 1.00 1.00 C ATOM 753 NZ LYS A 46 21.625 7.495 -6.447 1.00 1.00 N ATOM 0 H LYS A 46 16.891 6.796 -3.691 1.00 1.00 H new ATOM 0 HA LYS A 46 16.208 4.411 -4.964 1.00 1.00 H new ATOM 0 HB2 LYS A 46 18.915 5.599 -4.199 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.710 4.269 -5.322 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.344 5.743 -6.804 1.00 1.00 H new ATOM 0 HG3 LYS A 46 17.576 7.072 -5.685 1.00 1.00 H new ATOM 0 HD2 LYS A 46 19.812 5.598 -7.142 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.159 7.155 -7.612 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.869 8.129 -5.447 1.00 1.00 H new ATOM 0 HE3 LYS A 46 20.475 6.569 -4.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 22.251 7.966 -5.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 22.064 6.607 -6.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 21.476 8.118 -7.266 1.00 1.00 H new ATOM 767 N LYS A 47 16.083 2.826 -3.204 1.00 1.00 N ATOM 768 CA LYS A 47 16.045 1.577 -2.478 1.00 1.00 C ATOM 769 C LYS A 47 16.308 1.710 -0.990 1.00 1.00 C ATOM 770 O LYS A 47 16.704 0.745 -0.334 1.00 1.00 O ATOM 771 CB LYS A 47 16.986 0.561 -3.119 1.00 1.00 C ATOM 772 CG LYS A 47 16.612 0.224 -4.558 1.00 1.00 C ATOM 773 CD LYS A 47 17.478 -0.895 -5.122 1.00 1.00 C ATOM 774 CE LYS A 47 17.211 -2.222 -4.429 1.00 1.00 C ATOM 775 NZ LYS A 47 18.074 -3.310 -4.967 1.00 1.00 N ATOM 0 H LYS A 47 15.194 3.054 -3.649 1.00 1.00 H new ATOM 0 HA LYS A 47 15.019 1.217 -2.552 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.003 0.952 -3.096 1.00 1.00 H new ATOM 0 HB3 LYS A 47 16.983 -0.353 -2.525 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.564 -0.071 -4.601 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.718 1.114 -5.179 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.287 -0.998 -6.190 1.00 1.00 H new ATOM 0 HD3 LYS A 47 18.530 -0.632 -5.010 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.386 -2.115 -3.359 1.00 1.00 H new ATOM 0 HE3 LYS A 47 16.163 -2.493 -4.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.863 -4.199 -4.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 17.889 -3.430 -5.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 19.074 -3.063 -4.824 1.00 1.00 H new ATOM 789 N ASP A 48 16.059 2.881 -0.453 1.00 1.00 N ATOM 790 CA ASP A 48 16.205 3.091 0.970 1.00 1.00 C ATOM 791 C ASP A 48 14.829 2.864 1.555 1.00 1.00 C ATOM 792 O ASP A 48 14.082 3.790 1.871 1.00 1.00 O ATOM 793 CB ASP A 48 16.747 4.482 1.271 1.00 1.00 C ATOM 794 CG ASP A 48 17.124 4.637 2.729 1.00 1.00 C ATOM 795 OD1 ASP A 48 18.197 4.136 3.125 1.00 1.00 O ATOM 796 OD2 ASP A 48 16.343 5.256 3.479 1.00 1.00 O ATOM 0 H ASP A 48 15.755 3.702 -0.977 1.00 1.00 H new ATOM 0 HA ASP A 48 16.930 2.407 1.412 1.00 1.00 H new ATOM 0 HB2 ASP A 48 17.620 4.674 0.648 1.00 1.00 H new ATOM 0 HB3 ASP A 48 15.997 5.229 1.008 1.00 1.00 H new ATOM 801 N HIS A 49 14.470 1.597 1.614 1.00 1.00 N ATOM 802 CA HIS A 49 13.162 1.212 2.078 1.00 1.00 C ATOM 803 C HIS A 49 13.184 -0.018 2.979 1.00 1.00 C ATOM 804 O HIS A 49 13.380 -1.144 2.528 1.00 1.00 O ATOM 805 CB HIS A 49 12.225 0.970 0.880 1.00 1.00 C ATOM 806 CG HIS A 49 12.843 0.217 -0.274 1.00 1.00 C ATOM 807 ND1 HIS A 49 13.522 -0.977 -0.149 1.00 1.00 N ATOM 808 CD2 HIS A 49 12.856 0.511 -1.601 1.00 1.00 C ATOM 809 CE1 HIS A 49 13.917 -1.360 -1.370 1.00 1.00 C ATOM 810 NE2 HIS A 49 13.537 -0.494 -2.285 1.00 1.00 N ATOM 0 H HIS A 49 15.071 0.818 1.344 1.00 1.00 H new ATOM 0 HA HIS A 49 12.789 2.039 2.682 1.00 1.00 H new ATOM 0 HB2 HIS A 49 11.351 0.418 1.227 1.00 1.00 H new ATOM 0 HB3 HIS A 49 11.869 1.934 0.516 1.00 1.00 H new ATOM 0 HD1 HIS A 49 13.693 -1.480 0.721 1.00 1.00 H new ATOM 0 HD2 HIS A 49 12.410 1.384 -2.053 1.00 1.00 H new ATOM 0 HE1 HIS A 49 14.474 -2.262 -1.577 1.00 1.00 H new ATOM 818 N HIS A 50 13.002 0.215 4.261 1.00 1.00 N ATOM 819 CA HIS A 50 12.903 -0.871 5.234 1.00 1.00 C ATOM 820 C HIS A 50 11.445 -0.962 5.622 1.00 1.00 C ATOM 821 O HIS A 50 11.046 -1.588 6.600 1.00 1.00 O ATOM 822 CB HIS A 50 13.756 -0.600 6.465 1.00 1.00 C ATOM 823 CG HIS A 50 15.221 -0.582 6.184 1.00 1.00 C ATOM 824 ND1 HIS A 50 15.982 0.564 6.143 1.00 1.00 N ATOM 825 CD2 HIS A 50 16.073 -1.608 5.939 1.00 1.00 C ATOM 826 CE1 HIS A 50 17.245 0.208 5.882 1.00 1.00 C ATOM 827 NE2 HIS A 50 17.353 -1.099 5.750 1.00 1.00 N ATOM 0 H HIS A 50 12.918 1.149 4.663 1.00 1.00 H new ATOM 0 HA HIS A 50 13.267 -1.803 4.801 1.00 1.00 H new ATOM 0 HB2 HIS A 50 13.465 0.359 6.895 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.548 -1.362 7.216 1.00 1.00 H new ATOM 0 HD2 HIS A 50 15.801 -2.652 5.897 1.00 1.00 H new ATOM 0 HE1 HIS A 50 18.068 0.901 5.791 1.00 1.00 H new ATOM 0 HE2 HIS A 50 18.202 -1.628 5.550 1.00 1.00 H new ATOM 835 N SER A 51 10.657 -0.314 4.792 1.00 1.00 N ATOM 836 CA SER A 51 9.233 -0.201 4.972 1.00 1.00 C ATOM 837 C SER A 51 8.443 -1.333 4.327 1.00 1.00 C ATOM 838 O SER A 51 7.402 -1.707 4.841 1.00 1.00 O ATOM 839 CB SER A 51 8.783 1.112 4.332 1.00 1.00 C ATOM 840 OG SER A 51 9.606 2.193 4.741 1.00 1.00 O ATOM 0 H SER A 51 11.000 0.158 3.956 1.00 1.00 H new ATOM 0 HA SER A 51 9.038 -0.243 6.044 1.00 1.00 H new ATOM 0 HB2 SER A 51 8.814 1.019 3.246 1.00 1.00 H new ATOM 0 HB3 SER A 51 7.748 1.316 4.605 1.00 1.00 H new ATOM 0 HG SER A 51 9.296 3.019 4.315 1.00 1.00 H new ATOM 846 N HIS A 52 8.969 -1.937 3.260 1.00 1.00 N ATOM 847 CA HIS A 52 8.185 -2.938 2.517 1.00 1.00 C ATOM 848 C HIS A 52 7.763 -4.163 3.336 1.00 1.00 C ATOM 849 O HIS A 52 6.635 -4.621 3.204 1.00 1.00 O ATOM 850 CB HIS A 52 8.842 -3.353 1.182 1.00 1.00 C ATOM 851 CG HIS A 52 10.197 -4.006 1.248 1.00 1.00 C ATOM 852 ND1 HIS A 52 11.346 -3.431 0.746 1.00 1.00 N ATOM 853 CD2 HIS A 52 10.570 -5.230 1.710 1.00 1.00 C ATOM 854 CE1 HIS A 52 12.353 -4.297 0.918 1.00 1.00 C ATOM 855 NE2 HIS A 52 11.934 -5.401 1.498 1.00 1.00 N ATOM 0 H HIS A 52 9.905 -1.762 2.895 1.00 1.00 H new ATOM 0 HA HIS A 52 7.260 -2.412 2.280 1.00 1.00 H new ATOM 0 HB2 HIS A 52 8.164 -4.037 0.671 1.00 1.00 H new ATOM 0 HB3 HIS A 52 8.927 -2.463 0.558 1.00 1.00 H new ATOM 0 HD2 HIS A 52 9.912 -5.953 2.168 1.00 1.00 H new ATOM 0 HE1 HIS A 52 13.375 -4.113 0.620 1.00 1.00 H new ATOM 0 HE2 HIS A 52 12.495 -6.217 1.743 1.00 1.00 H new ATOM 863 N ARG A 53 8.620 -4.671 4.199 1.00 1.00 N ATOM 864 CA ARG A 53 8.250 -5.842 4.992 1.00 1.00 C ATOM 865 C ARG A 53 7.239 -5.461 6.082 1.00 1.00 C ATOM 866 O ARG A 53 6.392 -6.260 6.467 1.00 1.00 O ATOM 867 CB ARG A 53 9.496 -6.494 5.582 1.00 1.00 C ATOM 868 CG ARG A 53 9.215 -7.793 6.318 1.00 1.00 C ATOM 869 CD ARG A 53 10.504 -8.462 6.803 1.00 1.00 C ATOM 870 NE ARG A 53 11.290 -7.603 7.709 1.00 1.00 N ATOM 871 CZ ARG A 53 12.394 -7.969 8.310 1.00 1.00 C ATOM 872 NH1 ARG A 53 12.868 -9.158 8.154 1.00 1.00 N ATOM 873 NH2 ARG A 53 13.024 -7.129 9.068 1.00 1.00 N ATOM 0 H ARG A 53 9.557 -4.307 4.372 1.00 1.00 H new ATOM 0 HA ARG A 53 7.767 -6.571 4.341 1.00 1.00 H new ATOM 0 HB2 ARG A 53 10.208 -6.688 4.780 1.00 1.00 H new ATOM 0 HB3 ARG A 53 9.972 -5.793 6.268 1.00 1.00 H new ATOM 0 HG2 ARG A 53 8.565 -7.595 7.171 1.00 1.00 H new ATOM 0 HG3 ARG A 53 8.677 -8.475 5.659 1.00 1.00 H new ATOM 0 HD2 ARG A 53 10.255 -9.391 7.316 1.00 1.00 H new ATOM 0 HD3 ARG A 53 11.116 -8.728 5.941 1.00 1.00 H new ATOM 0 HE ARG A 53 10.949 -6.657 7.879 1.00 1.00 H new ATOM 0 HH11 ARG A 53 12.382 -9.826 7.556 1.00 1.00 H new ATOM 0 HH12 ARG A 53 13.729 -9.430 8.628 1.00 1.00 H new ATOM 0 HH21 ARG A 53 12.660 -6.185 9.196 1.00 1.00 H new ATOM 0 HH22 ARG A 53 13.884 -7.412 9.537 1.00 1.00 H new ATOM 887 N GLY A 54 7.326 -4.230 6.564 1.00 1.00 N ATOM 888 CA GLY A 54 6.384 -3.767 7.562 1.00 1.00 C ATOM 889 C GLY A 54 5.068 -3.357 6.921 1.00 1.00 C ATOM 890 O GLY A 54 3.990 -3.640 7.441 1.00 1.00 O ATOM 0 H GLY A 54 8.029 -3.546 6.283 1.00 1.00 H new ATOM 0 HA2 GLY A 54 6.206 -4.556 8.293 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.808 -2.921 8.103 1.00 1.00 H new ATOM 894 N LEU A 55 5.159 -2.742 5.743 1.00 1.00 N ATOM 895 CA LEU A 55 3.971 -2.277 5.028 1.00 1.00 C ATOM 896 C LEU A 55 3.279 -3.418 4.289 1.00 1.00 C ATOM 897 O LEU A 55 2.367 -3.206 3.486 1.00 1.00 O ATOM 898 CB LEU A 55 4.304 -1.121 4.089 1.00 1.00 C ATOM 899 CG LEU A 55 4.801 0.141 4.803 1.00 1.00 C ATOM 900 CD1 LEU A 55 5.053 1.254 3.804 1.00 1.00 C ATOM 901 CD2 LEU A 55 3.803 0.595 5.864 1.00 1.00 C ATOM 0 H LEU A 55 6.040 -2.554 5.264 1.00 1.00 H new ATOM 0 HA LEU A 55 3.268 -1.901 5.772 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.066 -1.449 3.382 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.416 -0.871 3.508 1.00 1.00 H new ATOM 0 HG LEU A 55 5.741 -0.100 5.300 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.405 2.142 4.329 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.808 0.934 3.086 1.00 1.00 H new ATOM 0 HD13 LEU A 55 4.127 1.487 3.278 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.178 1.492 6.356 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.845 0.814 5.392 1.00 1.00 H new ATOM 0 HD23 LEU A 55 3.672 -0.196 6.602 1.00 1.00 H new ATOM 913 N LEU A 56 3.713 -4.640 4.570 1.00 1.00 N ATOM 914 CA LEU A 56 3.074 -5.809 4.016 1.00 1.00 C ATOM 915 C LEU A 56 1.687 -5.894 4.641 1.00 1.00 C ATOM 916 O LEU A 56 0.771 -6.513 4.102 1.00 1.00 O ATOM 917 CB LEU A 56 3.884 -7.056 4.340 1.00 1.00 C ATOM 918 CG LEU A 56 5.087 -7.308 3.433 1.00 1.00 C ATOM 919 CD1 LEU A 56 5.813 -8.563 3.875 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.664 -7.425 1.973 1.00 1.00 C ATOM 0 H LEU A 56 4.506 -4.839 5.180 1.00 1.00 H new ATOM 0 HA LEU A 56 3.004 -5.739 2.930 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.235 -6.984 5.369 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.224 -7.922 4.288 1.00 1.00 H new ATOM 0 HG LEU A 56 5.762 -6.456 3.516 1.00 1.00 H new ATOM 0 HD11 LEU A 56 6.670 -8.736 3.224 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.157 -8.442 4.902 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.135 -9.415 3.817 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.542 -7.604 1.353 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.966 -8.255 1.862 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.181 -6.500 1.659 1.00 1.00 H new ATOM 932 N MET A 57 1.556 -5.261 5.818 1.00 1.00 N ATOM 933 CA MET A 57 0.284 -5.183 6.511 1.00 1.00 C ATOM 934 C MET A 57 -0.732 -4.401 5.668 1.00 1.00 C ATOM 935 O MET A 57 -1.911 -4.725 5.665 1.00 1.00 O ATOM 936 CB MET A 57 0.437 -4.520 7.891 1.00 1.00 C ATOM 937 CG MET A 57 0.890 -3.064 7.847 1.00 1.00 C ATOM 938 SD MET A 57 0.927 -2.292 9.478 1.00 1.00 S ATOM 939 CE MET A 57 2.158 -3.290 10.315 1.00 1.00 C ATOM 0 H MET A 57 2.326 -4.798 6.301 1.00 1.00 H new ATOM 0 HA MET A 57 -0.077 -6.201 6.660 1.00 1.00 H new ATOM 0 HB2 MET A 57 -0.518 -4.575 8.414 1.00 1.00 H new ATOM 0 HB3 MET A 57 1.155 -5.093 8.478 1.00 1.00 H new ATOM 0 HG2 MET A 57 1.884 -3.011 7.403 1.00 1.00 H new ATOM 0 HG3 MET A 57 0.220 -2.500 7.198 1.00 1.00 H new ATOM 0 HE1 MET A 57 2.833 -2.642 10.874 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.664 -3.978 11.001 1.00 1.00 H new ATOM 0 HE3 MET A 57 2.727 -3.858 9.579 1.00 1.00 H new ATOM 949 N MET A 58 -0.270 -3.395 4.911 1.00 1.00 N ATOM 950 CA MET A 58 -1.199 -2.615 4.082 1.00 1.00 C ATOM 951 C MET A 58 -1.446 -3.327 2.750 1.00 1.00 C ATOM 952 O MET A 58 -2.559 -3.317 2.226 1.00 1.00 O ATOM 953 CB MET A 58 -0.733 -1.162 3.867 1.00 1.00 C ATOM 954 CG MET A 58 0.456 -0.979 2.932 1.00 1.00 C ATOM 955 SD MET A 58 0.941 0.753 2.756 1.00 1.00 S ATOM 956 CE MET A 58 -0.540 1.468 2.040 1.00 1.00 C ATOM 0 H MET A 58 0.708 -3.109 4.855 1.00 1.00 H new ATOM 0 HA MET A 58 -2.142 -2.550 4.625 1.00 1.00 H new ATOM 0 HB2 MET A 58 -1.571 -0.586 3.475 1.00 1.00 H new ATOM 0 HB3 MET A 58 -0.478 -0.735 4.837 1.00 1.00 H new ATOM 0 HG2 MET A 58 1.302 -1.553 3.310 1.00 1.00 H new ATOM 0 HG3 MET A 58 0.208 -1.385 1.951 1.00 1.00 H new ATOM 0 HE1 MET A 58 -0.264 2.290 1.380 1.00 1.00 H new ATOM 0 HE2 MET A 58 -1.072 0.707 1.469 1.00 1.00 H new ATOM 0 HE3 MET A 58 -1.185 1.842 2.835 1.00 1.00 H new ATOM 966 N VAL A 59 -0.408 -3.970 2.218 1.00 1.00 N ATOM 967 CA VAL A 59 -0.540 -4.725 0.974 1.00 1.00 C ATOM 968 C VAL A 59 -1.471 -5.916 1.213 1.00 1.00 C ATOM 969 O VAL A 59 -2.408 -6.161 0.452 1.00 1.00 O ATOM 970 CB VAL A 59 0.829 -5.230 0.464 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.682 -5.973 -0.857 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.803 -4.073 0.316 1.00 1.00 C ATOM 0 H VAL A 59 0.527 -3.984 2.625 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.953 -4.064 0.212 1.00 1.00 H new ATOM 0 HB VAL A 59 1.226 -5.927 1.202 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.661 -6.317 -1.192 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.023 -6.831 -0.721 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.257 -5.304 -1.605 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.761 -4.448 -0.044 1.00 1.00 H new ATOM 0 HG22 VAL A 59 1.405 -3.351 -0.397 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.943 -3.589 1.283 1.00 1.00 H new ATOM 982 N GLY A 60 -1.219 -6.627 2.308 1.00 1.00 N ATOM 983 CA GLY A 60 -2.045 -7.760 2.676 1.00 1.00 C ATOM 984 C GLY A 60 -3.465 -7.337 3.023 1.00 1.00 C ATOM 985 O GLY A 60 -4.422 -8.056 2.736 1.00 1.00 O ATOM 0 H GLY A 60 -0.451 -6.435 2.951 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.070 -8.474 1.853 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.600 -8.272 3.529 1.00 1.00 H new ATOM 989 N GLN A 61 -3.597 -6.165 3.648 1.00 1.00 N ATOM 990 CA GLN A 61 -4.905 -5.619 4.018 1.00 1.00 C ATOM 991 C GLN A 61 -5.725 -5.384 2.758 1.00 1.00 C ATOM 992 O GLN A 61 -6.903 -5.738 2.685 1.00 1.00 O ATOM 993 CB GLN A 61 -4.746 -4.277 4.751 1.00 1.00 C ATOM 994 CG GLN A 61 -6.062 -3.578 5.077 1.00 1.00 C ATOM 995 CD GLN A 61 -6.968 -4.420 5.951 1.00 1.00 C ATOM 996 OE1 GLN A 61 -6.904 -4.368 7.169 1.00 1.00 O ATOM 997 NE2 GLN A 61 -7.819 -5.211 5.331 1.00 1.00 N ATOM 0 H GLN A 61 -2.809 -5.573 3.910 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.403 -6.332 4.675 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -4.199 -4.446 5.678 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -4.137 -3.612 4.138 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -5.853 -2.634 5.580 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -6.580 -3.337 4.149 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -7.847 -5.231 4.312 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -8.450 -5.804 5.870 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.066 -4.811 1.745 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.711 -4.499 0.499 1.00 1.00 C ATOM 1008 C ARG A 62 -6.001 -5.777 -0.292 1.00 1.00 C ATOM 1009 O ARG A 62 -7.064 -5.920 -0.880 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.834 -3.488 -0.275 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.131 -3.997 -1.541 1.00 1.00 C ATOM 1012 CD ARG A 62 -5.041 -3.964 -2.776 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.448 -4.665 -3.933 1.00 1.00 N ATOM 1014 CZ ARG A 62 -4.724 -4.418 -5.195 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -5.371 -3.355 -5.549 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -4.288 -5.223 -6.108 1.00 1.00 N ATOM 0 H ARG A 62 -4.078 -4.558 1.781 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.680 -4.032 0.675 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -5.461 -2.641 -0.554 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.072 -3.110 0.406 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -3.246 -3.389 -1.730 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -3.787 -5.018 -1.375 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.999 -4.422 -2.530 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -5.243 -2.928 -3.047 1.00 1.00 H new ATOM 0 HE ARG A 62 -3.769 -5.401 -3.737 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -5.679 -2.687 -4.843 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -5.573 -3.185 -6.534 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.736 -6.040 -5.846 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -4.496 -5.041 -7.090 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.072 -6.724 -0.237 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.205 -7.992 -0.950 1.00 1.00 C ATOM 1032 C ARG A 63 -6.346 -8.853 -0.376 1.00 1.00 C ATOM 1033 O ARG A 63 -7.094 -9.474 -1.122 1.00 1.00 O ATOM 1034 CB ARG A 63 -3.851 -8.719 -0.890 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.739 -10.003 -1.709 1.00 1.00 C ATOM 1036 CD ARG A 63 -4.315 -11.224 -0.985 1.00 1.00 C ATOM 1037 NE ARG A 63 -4.236 -12.437 -1.813 1.00 1.00 N ATOM 1038 CZ ARG A 63 -4.513 -13.646 -1.408 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -4.844 -13.882 -0.178 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -4.454 -14.624 -2.253 1.00 1.00 N ATOM 0 H ARG A 63 -4.209 -6.637 0.300 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.472 -7.803 -1.990 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.077 -8.029 -1.226 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.636 -8.957 0.152 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.260 -9.870 -2.657 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -2.691 -10.188 -1.944 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -3.772 -11.384 -0.053 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -5.355 -11.032 -0.719 1.00 1.00 H new ATOM 0 HE ARG A 63 -3.941 -12.324 -2.783 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -4.892 -13.116 0.493 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -5.057 -14.834 0.119 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -4.193 -14.445 -3.223 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -4.668 -15.574 -1.949 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.492 -8.876 0.944 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.554 -9.675 1.572 1.00 1.00 C ATOM 1056 C ARG A 64 -8.887 -8.922 1.612 1.00 1.00 C ATOM 1057 O ARG A 64 -9.950 -9.526 1.750 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.161 -10.072 3.002 1.00 1.00 C ATOM 1059 CG ARG A 64 -7.110 -8.911 3.995 1.00 1.00 C ATOM 1060 CD ARG A 64 -6.601 -9.371 5.364 1.00 1.00 C ATOM 1061 NE ARG A 64 -5.201 -9.830 5.310 1.00 1.00 N ATOM 1062 CZ ARG A 64 -4.667 -10.710 6.121 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -5.362 -11.255 7.064 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -3.426 -11.051 5.970 1.00 1.00 N ATOM 0 H ARG A 64 -5.902 -8.361 1.597 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.678 -10.569 0.961 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -7.871 -10.814 3.367 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.183 -10.553 2.975 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.460 -8.127 3.608 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.104 -8.477 4.101 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.686 -8.550 6.076 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -7.233 -10.179 5.732 1.00 1.00 H new ATOM 0 HE ARG A 64 -4.602 -9.432 4.586 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.343 -11.002 7.186 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -4.930 -11.938 7.686 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -2.870 -10.635 5.223 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -3.005 -11.735 6.598 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.825 -7.613 1.435 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.009 -6.761 1.519 1.00 1.00 C ATOM 1080 C LEU A 65 -11.031 -7.061 0.415 1.00 1.00 C ATOM 1081 O LEU A 65 -12.228 -6.840 0.602 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.571 -5.304 1.490 1.00 1.00 C ATOM 1083 CG LEU A 65 -10.566 -4.286 2.034 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -10.991 -4.631 3.454 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.929 -2.913 2.000 1.00 1.00 C ATOM 0 H LEU A 65 -7.962 -7.110 1.230 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.519 -6.972 2.459 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.645 -5.214 2.058 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.339 -5.038 0.459 1.00 1.00 H new ATOM 0 HG LEU A 65 -11.460 -4.300 1.411 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -11.701 -3.886 3.813 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -11.461 -5.614 3.464 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.116 -4.641 4.104 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -10.632 -2.176 2.387 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.029 -2.914 2.615 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.666 -2.659 0.973 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.565 -7.566 -0.728 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.474 -7.932 -1.818 1.00 1.00 C ATOM 1099 C LEU A 66 -12.402 -9.054 -1.343 1.00 1.00 C ATOM 1100 O LEU A 66 -13.607 -9.032 -1.575 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.714 -8.432 -3.061 1.00 1.00 C ATOM 1102 CG LEU A 66 -10.030 -7.377 -3.949 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -8.832 -6.749 -3.253 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.593 -8.008 -5.268 1.00 1.00 C ATOM 0 H LEU A 66 -9.577 -7.730 -0.923 1.00 1.00 H new ATOM 0 HA LEU A 66 -12.036 -7.039 -2.091 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -9.952 -9.136 -2.728 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -11.415 -8.990 -3.682 1.00 1.00 H new ATOM 0 HG LEU A 66 -10.755 -6.587 -4.145 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -8.375 -6.010 -3.911 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -9.159 -6.264 -2.333 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.102 -7.523 -3.015 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -9.110 -7.254 -5.890 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -8.891 -8.818 -5.069 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.465 -8.403 -5.789 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.815 -10.017 -0.638 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.549 -11.170 -0.116 1.00 1.00 C ATOM 1118 C ARG A 67 -13.458 -10.734 1.039 1.00 1.00 C ATOM 1119 O ARG A 67 -14.565 -11.242 1.214 1.00 1.00 O ATOM 1120 CB ARG A 67 -11.537 -12.224 0.353 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.131 -13.571 0.751 1.00 1.00 C ATOM 1122 CD ARG A 67 -12.817 -14.284 -0.418 1.00 1.00 C ATOM 1123 NE ARG A 67 -13.027 -15.722 -0.145 1.00 1.00 N ATOM 1124 CZ ARG A 67 -13.586 -16.571 -0.978 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -14.244 -16.161 -2.008 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -13.547 -17.842 -0.720 1.00 1.00 N ATOM 0 H ARG A 67 -10.820 -10.022 -0.412 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.180 -11.598 -0.895 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -10.812 -12.387 -0.445 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -10.988 -11.822 1.205 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -11.341 -14.209 1.147 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -12.853 -13.422 1.554 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -13.777 -13.809 -0.619 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -12.211 -14.171 -1.317 1.00 1.00 H new ATOM 0 HE ARG A 67 -12.715 -16.082 0.757 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -14.338 -15.161 -2.188 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -14.670 -16.836 -2.643 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -13.084 -18.177 0.125 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -13.979 -18.506 -1.362 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.966 -9.769 1.802 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.684 -9.206 2.942 1.00 1.00 C ATOM 1142 C TYR A 68 -14.967 -8.488 2.507 1.00 1.00 C ATOM 1143 O TYR A 68 -16.058 -8.822 2.964 1.00 1.00 O ATOM 1144 CB TYR A 68 -12.762 -8.220 3.661 1.00 1.00 C ATOM 1145 CG TYR A 68 -13.339 -7.611 4.918 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -13.229 -8.260 6.142 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -13.965 -6.370 4.886 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -13.742 -7.696 7.295 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -14.481 -5.803 6.033 1.00 1.00 C ATOM 1150 CZ TYR A 68 -14.361 -6.464 7.235 1.00 1.00 C ATOM 1151 OH TYR A 68 -14.872 -5.896 8.377 1.00 1.00 O ATOM 0 H TYR A 68 -12.049 -9.349 1.648 1.00 1.00 H new ATOM 0 HA TYR A 68 -13.972 -10.020 3.607 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -11.834 -8.732 3.916 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.504 -7.417 2.971 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -12.735 -9.219 6.193 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.049 -5.841 3.948 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -13.659 -8.217 8.238 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -14.977 -4.845 5.988 1.00 1.00 H new ATOM 0 HH TYR A 68 -15.273 -5.029 8.160 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.835 -7.516 1.605 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.999 -6.755 1.137 1.00 1.00 C ATOM 1163 C LEU A 69 -16.940 -7.641 0.319 1.00 1.00 C ATOM 1164 O LEU A 69 -18.147 -7.423 0.289 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.568 -5.529 0.327 1.00 1.00 C ATOM 1166 CG LEU A 69 -14.889 -4.423 1.145 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -14.507 -3.255 0.251 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -15.798 -3.950 2.271 1.00 1.00 C ATOM 0 H LEU A 69 -13.947 -7.237 1.187 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.541 -6.404 2.015 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.885 -5.852 -0.458 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -16.445 -5.110 -0.166 1.00 1.00 H new ATOM 0 HG LEU A 69 -13.981 -4.836 1.585 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -14.027 -2.481 0.849 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -13.817 -3.598 -0.520 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.403 -2.848 -0.218 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -15.297 -3.166 2.838 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -16.724 -3.558 1.851 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -16.025 -4.787 2.931 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.373 -8.645 -0.337 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.148 -9.613 -1.119 1.00 1.00 C ATOM 1182 C GLN A 70 -18.169 -10.320 -0.232 1.00 1.00 C ATOM 1183 O GLN A 70 -19.274 -10.640 -0.664 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.182 -10.653 -1.697 1.00 1.00 C ATOM 1185 CG GLN A 70 -16.840 -11.810 -2.431 1.00 1.00 C ATOM 1186 CD GLN A 70 -15.820 -12.825 -2.918 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -15.435 -13.741 -2.198 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -15.365 -12.669 -4.144 1.00 1.00 N ATOM 0 H GLN A 70 -15.367 -8.815 -0.345 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.678 -9.092 -1.917 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.499 -10.150 -2.382 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.578 -11.056 -0.884 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -17.553 -12.301 -1.769 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.405 -11.427 -3.281 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -15.704 -11.898 -4.719 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -14.674 -13.319 -4.518 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.791 -10.521 1.026 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.632 -11.226 1.986 1.00 1.00 C ATOM 1199 C ARG A 71 -19.851 -10.429 2.459 1.00 1.00 C ATOM 1200 O ARG A 71 -20.918 -11.003 2.643 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.818 -11.629 3.219 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.734 -12.661 2.947 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.308 -13.952 2.364 1.00 1.00 C ATOM 1204 NE ARG A 71 -16.299 -15.019 2.265 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.497 -16.180 1.698 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -17.607 -16.443 1.094 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -15.562 -17.073 1.727 1.00 1.00 N ATOM 0 H ARG A 71 -16.900 -10.202 1.407 1.00 1.00 H new ATOM 0 HA ARG A 71 -19.000 -12.100 1.449 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.355 -10.737 3.641 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -18.497 -12.024 3.974 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -16.002 -12.244 2.255 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -16.205 -12.885 3.874 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -18.134 -14.293 2.988 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.718 -13.750 1.374 1.00 1.00 H new ATOM 0 HE ARG A 71 -15.379 -14.840 2.668 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -18.345 -15.740 1.054 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -17.746 -17.354 0.656 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -14.676 -16.869 2.190 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.710 -17.981 1.286 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.729 -9.122 2.638 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.875 -8.355 3.157 1.00 1.00 C ATOM 1223 C GLU A 72 -21.790 -7.840 2.044 1.00 1.00 C ATOM 1224 O GLU A 72 -22.841 -7.253 2.309 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.404 -7.216 4.054 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.744 -7.714 5.330 1.00 1.00 C ATOM 1227 CD GLU A 72 -19.480 -6.605 6.329 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -20.457 -6.004 6.824 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -18.293 -6.340 6.623 1.00 1.00 O ATOM 0 H GLU A 72 -18.888 -8.578 2.444 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.472 -9.042 3.757 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.699 -6.592 3.504 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -21.255 -6.585 4.311 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -20.381 -8.468 5.792 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -18.802 -8.202 5.079 1.00 1.00 H new ATOM 1236 N ASP A 73 -21.392 -8.103 0.807 1.00 1.00 N ATOM 1237 CA ASP A 73 -22.130 -7.709 -0.378 1.00 1.00 C ATOM 1238 C ASP A 73 -21.332 -8.147 -1.604 1.00 1.00 C ATOM 1239 O ASP A 73 -20.233 -7.640 -1.860 1.00 1.00 O ATOM 1240 CB ASP A 73 -22.388 -6.193 -0.417 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.984 -5.732 -1.733 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -23.787 -6.485 -2.324 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.621 -4.627 -2.193 1.00 1.00 O ATOM 0 H ASP A 73 -20.530 -8.606 0.598 1.00 1.00 H new ATOM 0 HA ASP A 73 -23.107 -8.192 -0.365 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -23.062 -5.923 0.396 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -21.450 -5.665 -0.243 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.846 -9.119 -2.366 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.163 -9.608 -3.560 1.00 1.00 C ATOM 1250 C PRO A 74 -20.910 -8.485 -4.550 1.00 1.00 C ATOM 1251 O PRO A 74 -19.936 -8.508 -5.307 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.145 -10.607 -4.167 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.052 -10.992 -3.050 1.00 1.00 C ATOM 1254 CD PRO A 74 -23.132 -9.796 -2.142 1.00 1.00 C ATOM 0 HA PRO A 74 -20.191 -10.040 -3.322 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.702 -10.160 -4.990 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -21.624 -11.476 -4.569 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -24.039 -11.262 -3.426 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -22.665 -11.860 -2.517 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.975 -9.153 -2.396 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -23.257 -10.089 -1.100 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.783 -7.486 -4.532 1.00 1.00 N ATOM 1263 CA GLU A 75 -21.647 -6.372 -5.438 1.00 1.00 C ATOM 1264 C GLU A 75 -20.457 -5.497 -5.054 1.00 1.00 C ATOM 1265 O GLU A 75 -19.826 -4.898 -5.920 1.00 1.00 O ATOM 1266 CB GLU A 75 -22.924 -5.547 -5.497 1.00 1.00 C ATOM 1267 CG GLU A 75 -22.832 -4.421 -6.508 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.040 -3.517 -6.496 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -24.100 -2.627 -5.617 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -24.915 -3.685 -7.374 1.00 1.00 O ATOM 0 H GLU A 75 -22.584 -7.431 -3.903 1.00 1.00 H new ATOM 0 HA GLU A 75 -21.465 -6.778 -6.433 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.762 -6.195 -5.753 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.132 -5.132 -4.511 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -21.940 -3.829 -6.304 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -22.712 -4.844 -7.505 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.116 -5.443 -3.767 1.00 1.00 N ATOM 1278 CA ARG A 76 -18.962 -4.648 -3.352 1.00 1.00 C ATOM 1279 C ARG A 76 -17.681 -5.259 -3.911 1.00 1.00 C ATOM 1280 O ARG A 76 -16.712 -4.557 -4.162 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.833 -4.526 -1.835 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.888 -3.644 -1.177 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.975 -2.243 -1.802 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.886 -2.179 -2.966 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.943 -1.177 -3.810 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.080 -0.217 -3.755 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.860 -1.151 -4.733 1.00 1.00 N ATOM 0 H ARG A 76 -20.606 -5.925 -3.013 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.118 -3.645 -3.750 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.888 -5.523 -1.398 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.846 -4.128 -1.598 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -20.860 -4.131 -1.254 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.663 -3.549 -0.115 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -20.313 -1.535 -1.045 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -18.978 -1.928 -2.111 1.00 1.00 H new ATOM 0 HE ARG A 76 -21.513 -2.968 -3.123 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -19.344 -0.233 -3.049 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -20.135 0.557 -4.417 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -22.537 -1.911 -4.801 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -21.902 -0.370 -5.388 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.677 -6.574 -4.122 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.502 -7.231 -4.694 1.00 1.00 C ATOM 1303 C TYR A 77 -16.337 -6.729 -6.111 1.00 1.00 C ATOM 1304 O TYR A 77 -15.260 -6.307 -6.534 1.00 1.00 O ATOM 1305 CB TYR A 77 -16.687 -8.748 -4.740 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.531 -9.467 -5.398 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.308 -9.567 -4.752 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -15.663 -10.063 -6.652 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.243 -10.218 -5.337 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -14.598 -10.720 -7.242 1.00 1.00 C ATOM 1311 CZ TYR A 77 -13.395 -10.802 -6.574 1.00 1.00 C ATOM 1312 OH TYR A 77 -12.337 -11.465 -7.149 1.00 1.00 O ATOM 0 H TYR A 77 -18.457 -7.196 -3.911 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.631 -7.005 -4.079 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.810 -9.124 -3.724 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.606 -8.980 -5.279 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.188 -9.127 -3.773 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.609 -10.011 -7.170 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.293 -10.270 -4.826 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -14.708 -11.166 -8.220 1.00 1.00 H new ATOM 0 HH TYR A 77 -12.609 -11.821 -8.021 1.00 1.00 H new ATOM 1322 N ARG A 78 -17.469 -6.740 -6.815 1.00 1.00 N ATOM 1323 CA ARG A 78 -17.550 -6.321 -8.186 1.00 1.00 C ATOM 1324 C ARG A 78 -17.227 -4.853 -8.327 1.00 1.00 C ATOM 1325 O ARG A 78 -16.527 -4.449 -9.240 1.00 1.00 O ATOM 1326 CB ARG A 78 -18.968 -6.546 -8.688 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.528 -7.925 -8.398 1.00 1.00 C ATOM 1328 CD ARG A 78 -20.996 -8.011 -8.807 1.00 1.00 C ATOM 1329 NE ARG A 78 -21.658 -9.204 -8.264 1.00 1.00 N ATOM 1330 CZ ARG A 78 -22.949 -9.395 -8.255 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -23.748 -8.561 -8.838 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -23.434 -10.445 -7.676 1.00 1.00 N ATOM 0 H ARG A 78 -18.361 -7.048 -6.429 1.00 1.00 H new ATOM 0 HA ARG A 78 -16.830 -6.900 -8.764 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -19.622 -5.800 -8.236 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -18.989 -6.378 -9.765 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -18.951 -8.677 -8.936 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.428 -8.147 -7.335 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -21.520 -7.119 -8.462 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -21.068 -8.022 -9.895 1.00 1.00 H new ATOM 0 HE ARG A 78 -21.068 -9.934 -7.866 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -23.371 -7.741 -9.313 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -24.755 -8.724 -8.823 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -22.809 -11.117 -7.231 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -24.442 -10.601 -7.665 1.00 1.00 H new ATOM 1346 N ALA A 79 -17.732 -4.047 -7.416 1.00 1.00 N ATOM 1347 CA ALA A 79 -17.478 -2.630 -7.500 1.00 1.00 C ATOM 1348 C ALA A 79 -16.062 -2.302 -7.045 1.00 1.00 C ATOM 1349 O ALA A 79 -15.483 -1.318 -7.484 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.517 -1.833 -6.747 1.00 1.00 C ATOM 0 H ALA A 79 -18.307 -4.342 -6.627 1.00 1.00 H new ATOM 0 HA ALA A 79 -17.558 -2.337 -8.547 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.293 -0.770 -6.833 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -19.503 -2.031 -7.168 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -18.506 -2.122 -5.696 1.00 1.00 H new ATOM 1356 N LEU A 80 -15.486 -3.122 -6.175 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.119 -2.884 -5.765 1.00 1.00 C ATOM 1358 C LEU A 80 -13.183 -3.198 -6.935 1.00 1.00 C ATOM 1359 O LEU A 80 -12.128 -2.586 -7.078 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.745 -3.708 -4.538 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.348 -3.439 -3.971 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.221 -1.999 -3.488 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.049 -4.407 -2.841 1.00 1.00 C ATOM 0 H LEU A 80 -15.934 -3.935 -5.752 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.018 -1.835 -5.485 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.480 -3.518 -3.755 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -13.818 -4.765 -4.794 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.620 -3.590 -4.768 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -11.219 -1.836 -3.090 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.396 -1.319 -4.322 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.957 -1.811 -2.706 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.053 -4.207 -2.445 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -12.787 -4.281 -2.049 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.092 -5.429 -3.217 1.00 1.00 H new ATOM 1375 N ILE A 81 -13.586 -4.123 -7.814 1.00 1.00 N ATOM 1376 CA ILE A 81 -12.734 -4.429 -8.960 1.00 1.00 C ATOM 1377 C ILE A 81 -12.836 -3.275 -9.956 1.00 1.00 C ATOM 1378 O ILE A 81 -11.906 -2.994 -10.713 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.971 -5.836 -9.599 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -14.330 -6.021 -10.295 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -12.824 -6.886 -8.510 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -14.398 -5.489 -11.712 1.00 1.00 C ATOM 0 H ILE A 81 -14.457 -4.650 -7.758 1.00 1.00 H new ATOM 0 HA ILE A 81 -11.706 -4.512 -8.606 1.00 1.00 H new ATOM 0 HB ILE A 81 -12.226 -5.940 -10.388 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.573 -7.083 -10.309 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -15.097 -5.526 -9.699 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.986 -7.876 -8.935 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.821 -6.833 -8.086 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.559 -6.703 -7.727 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -15.394 -5.665 -12.119 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -14.191 -4.419 -11.709 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.658 -6.000 -12.328 1.00 1.00 H new ATOM 1394 N GLU A 82 -13.975 -2.589 -9.914 1.00 1.00 N ATOM 1395 CA GLU A 82 -14.184 -1.398 -10.721 1.00 1.00 C ATOM 1396 C GLU A 82 -13.450 -0.194 -10.090 1.00 1.00 C ATOM 1397 O GLU A 82 -12.823 0.593 -10.790 1.00 1.00 O ATOM 1398 CB GLU A 82 -15.678 -1.094 -10.838 1.00 1.00 C ATOM 1399 CG GLU A 82 -16.467 -2.168 -11.570 1.00 1.00 C ATOM 1400 CD GLU A 82 -16.110 -2.267 -13.039 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -14.929 -2.545 -13.344 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -17.014 -2.085 -13.881 1.00 1.00 O ATOM 0 H GLU A 82 -14.769 -2.842 -9.326 1.00 1.00 H new ATOM 0 HA GLU A 82 -13.781 -1.577 -11.718 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -16.093 -0.969 -9.838 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -15.807 -0.144 -11.357 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -16.288 -3.131 -11.093 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -17.532 -1.958 -11.474 1.00 1.00 H new ATOM 1409 N LYS A 83 -13.513 -0.069 -8.751 1.00 1.00 N ATOM 1410 CA LYS A 83 -12.841 1.041 -8.042 1.00 1.00 C ATOM 1411 C LYS A 83 -11.319 0.945 -8.211 1.00 1.00 C ATOM 1412 O LYS A 83 -10.632 1.952 -8.349 1.00 1.00 O ATOM 1413 CB LYS A 83 -13.192 1.056 -6.541 1.00 1.00 C ATOM 1414 CG LYS A 83 -14.678 1.248 -6.223 1.00 1.00 C ATOM 1415 CD LYS A 83 -15.213 2.602 -6.680 1.00 1.00 C ATOM 1416 CE LYS A 83 -16.730 2.717 -6.495 1.00 1.00 C ATOM 1417 NZ LYS A 83 -17.162 2.609 -5.072 1.00 1.00 N ATOM 0 H LYS A 83 -14.016 -0.714 -8.142 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.199 1.970 -8.486 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.860 0.118 -6.097 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -12.627 1.854 -6.060 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -15.252 0.455 -6.703 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -14.830 1.147 -5.148 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.719 3.395 -6.118 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.964 2.753 -7.730 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -17.066 3.672 -6.898 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -17.220 1.936 -7.076 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -18.168 2.862 -4.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -17.024 1.633 -4.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -16.596 3.257 -4.487 1.00 1.00 H new ATOM 1431 N LEU A 84 -10.798 -0.275 -8.176 1.00 1.00 N ATOM 1432 CA LEU A 84 -9.367 -0.497 -8.367 1.00 1.00 C ATOM 1433 C LEU A 84 -9.009 -0.409 -9.851 1.00 1.00 C ATOM 1434 O LEU A 84 -7.953 0.097 -10.221 1.00 1.00 O ATOM 1435 CB LEU A 84 -8.965 -1.882 -7.839 1.00 1.00 C ATOM 1436 CG LEU A 84 -9.192 -2.111 -6.342 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -8.825 -3.536 -5.955 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -8.387 -1.119 -5.521 1.00 1.00 C ATOM 0 H LEU A 84 -11.341 -1.124 -8.018 1.00 1.00 H new ATOM 0 HA LEU A 84 -8.829 0.273 -7.815 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -9.522 -2.638 -8.392 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -7.909 -2.042 -8.057 1.00 1.00 H new ATOM 0 HG LEU A 84 -10.250 -1.957 -6.132 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -8.993 -3.678 -4.888 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.444 -4.236 -6.516 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.775 -3.716 -6.184 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -8.562 -1.298 -4.460 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -7.326 -1.242 -5.740 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -8.694 -0.104 -5.773 1.00 1.00 H new ATOM 1450 N GLY A 85 -9.913 -0.884 -10.697 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.651 -0.898 -12.124 1.00 1.00 C ATOM 1452 C GLY A 85 -8.915 -2.164 -12.477 1.00 1.00 C ATOM 1453 O GLY A 85 -7.822 -2.155 -13.033 1.00 1.00 O ATOM 0 H GLY A 85 -10.821 -1.259 -10.423 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.587 -0.840 -12.679 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.059 -0.027 -12.406 1.00 1.00 H new ATOM 1457 N ILE A 86 -9.527 -3.262 -12.134 1.00 1.00 N ATOM 1458 CA ILE A 86 -8.937 -4.565 -12.326 1.00 1.00 C ATOM 1459 C ILE A 86 -9.204 -5.107 -13.738 1.00 1.00 C ATOM 1460 O ILE A 86 -8.373 -5.812 -14.328 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.457 -5.492 -11.213 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -8.560 -5.331 -9.960 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.566 -6.939 -11.659 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -8.986 -6.175 -8.773 1.00 1.00 C ATOM 0 H ILE A 86 -10.455 -3.283 -11.711 1.00 1.00 H new ATOM 0 HA ILE A 86 -7.851 -4.503 -12.252 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.475 -5.195 -10.962 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.535 -5.590 -10.226 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -8.557 -4.282 -9.663 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.938 -7.547 -10.834 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -10.255 -7.009 -12.501 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.584 -7.301 -11.963 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.305 -6.002 -7.940 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -9.999 -5.901 -8.477 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.961 -7.229 -9.049 1.00 1.00 H new ATOM 1476 N ARG A 87 -10.349 -4.793 -14.338 1.00 1.00 N ATOM 1477 CA ARG A 87 -10.674 -5.240 -15.743 1.00 1.00 C ATOM 1478 C ARG A 87 -10.465 -4.061 -16.717 1.00 1.00 C ATOM 1479 O ARG A 87 -10.301 -4.170 -17.905 1.00 1.00 O ATOM 1480 CB ARG A 87 -12.128 -5.641 -15.802 1.00 1.00 C ATOM 1481 CG ARG A 87 -12.465 -6.860 -14.970 1.00 1.00 C ATOM 1482 CD ARG A 87 -13.928 -7.266 -15.148 1.00 1.00 C ATOM 1483 NE ARG A 87 -14.275 -8.427 -14.311 1.00 1.00 N ATOM 1484 CZ ARG A 87 -15.447 -9.006 -14.264 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -16.413 -8.636 -15.040 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -15.639 -9.975 -13.429 1.00 1.00 N ATOM 0 H ARG A 87 -11.081 -4.235 -13.899 1.00 1.00 H new ATOM 0 HA ARG A 87 -10.030 -6.075 -16.017 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -12.739 -4.804 -15.465 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -12.399 -5.836 -16.840 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -11.818 -7.689 -15.257 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -12.269 -6.651 -13.918 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -14.573 -6.426 -14.891 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -14.115 -7.503 -16.195 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.540 -8.812 -13.718 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -16.270 -7.878 -15.707 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -17.318 -9.103 -14.985 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -14.881 -10.279 -12.817 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -16.548 -10.435 -13.382 1.00 1.00 H new ATOM 1500 N GLY A 88 -10.412 -2.986 -15.937 1.00 1.00 N ATOM 1501 CA GLY A 88 -10.270 -1.583 -16.268 1.00 1.00 C ATOM 1502 C GLY A 88 -11.562 -0.856 -16.402 1.00 1.00 C ATOM 1503 O GLY A 88 -12.108 -0.865 -17.596 1.00 1.00 O ATOM 1504 OXT GLY A 88 -11.871 -0.039 -15.543 1.00 1.00 O ATOM 0 H GLY A 88 -10.477 -3.101 -14.926 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -9.671 -1.098 -15.497 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.718 -1.496 -17.204 1.00 1.00 H new TER 1508 GLY A 88