USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 622 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= -1.75! (180deg=-4.86!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 12 GLN : amide:sc= -0.651 X(o=-0.65,f=-0.63) USER MOD Single : A 15 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-1.7) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.886 USER MOD Single : A 19 MET CE :methyl 145:sc= -0.157 (180deg=-2.03!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -7:sc= 0.381 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.15 K(o=-2.2,f=-2.8) USER MOD Single : A 27 TYR OH : rot 70:sc= -1.28 USER MOD Single : A 29 CYS SG : rot 34:sc= 0.175 USER MOD Single : A 32 SER OG : rot 45:sc= 0.829 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -2.25 X(o=-2.2,f=-2.6) USER MOD Single : A 40 THR OG1 : rot 33:sc= 0.227 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 52 CYS SG : rot -110:sc= -2.58 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -120:sc= -0.925 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= -0.133 (180deg=-0.561) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.017) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -8.05! C(o=-8.7!,f=-8.1!) USER MOD Single : A 72 ASN : amide:sc= 0.0773 X(o=0.077,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.326 12.702 10.079 1.00 0.00 N ATOM 2 CA GLY A 1 -24.276 12.576 9.085 1.00 0.00 C ATOM 3 C GLY A 1 -24.029 13.869 8.334 1.00 0.00 C ATOM 4 O GLY A 1 -24.794 14.230 7.439 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.456 11.791 10.564 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.061 13.430 10.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.214 12.976 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.354 12.262 9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.544 11.793 8.376 1.00 0.00 H new ATOM 8 N SER A 2 -22.960 14.569 8.699 1.00 0.00 N ATOM 9 CA SER A 2 -22.618 15.833 8.057 1.00 0.00 C ATOM 10 C SER A 2 -22.858 15.760 6.552 1.00 0.00 C ATOM 11 O SER A 2 -23.437 16.670 5.959 1.00 0.00 O ATOM 12 CB SER A 2 -21.157 16.192 8.335 1.00 0.00 C ATOM 13 OG SER A 2 -20.998 16.699 9.648 1.00 0.00 O ATOM 0 H SER A 2 -22.316 14.282 9.436 1.00 0.00 H new ATOM 0 HA SER A 2 -23.261 16.609 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.531 15.309 8.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.817 16.933 7.612 1.00 0.00 H new ATOM 0 HG SER A 2 -20.056 16.919 9.802 1.00 0.00 H new ATOM 19 N SER A 3 -22.409 14.669 5.940 1.00 0.00 N ATOM 20 CA SER A 3 -22.571 14.477 4.503 1.00 0.00 C ATOM 21 C SER A 3 -22.608 12.992 4.154 1.00 0.00 C ATOM 22 O SER A 3 -21.755 12.219 4.589 1.00 0.00 O ATOM 23 CB SER A 3 -21.433 15.162 3.744 1.00 0.00 C ATOM 24 OG SER A 3 -21.538 14.932 2.350 1.00 0.00 O ATOM 0 H SER A 3 -21.930 13.905 6.416 1.00 0.00 H new ATOM 0 HA SER A 3 -23.519 14.926 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.454 16.234 3.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.475 14.790 4.106 1.00 0.00 H new ATOM 0 HG SER A 3 -20.800 15.382 1.888 1.00 0.00 H new ATOM 30 N GLY A 4 -23.604 12.601 3.365 1.00 0.00 N ATOM 31 CA GLY A 4 -23.735 11.210 2.970 1.00 0.00 C ATOM 32 C GLY A 4 -24.222 11.056 1.543 1.00 0.00 C ATOM 33 O GLY A 4 -25.234 11.641 1.159 1.00 0.00 O ATOM 0 H GLY A 4 -24.322 13.222 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.771 10.713 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.429 10.708 3.644 1.00 0.00 H new ATOM 37 N SER A 5 -23.499 10.268 0.754 1.00 0.00 N ATOM 38 CA SER A 5 -23.860 10.043 -0.641 1.00 0.00 C ATOM 39 C SER A 5 -23.835 8.554 -0.975 1.00 0.00 C ATOM 40 O SER A 5 -23.448 7.728 -0.149 1.00 0.00 O ATOM 41 CB SER A 5 -22.905 10.801 -1.565 1.00 0.00 C ATOM 42 OG SER A 5 -21.558 10.447 -1.308 1.00 0.00 O ATOM 0 H SER A 5 -22.659 9.774 1.057 1.00 0.00 H new ATOM 0 HA SER A 5 -24.873 10.415 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.150 10.582 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.035 11.874 -1.426 1.00 0.00 H new ATOM 0 HG SER A 5 -20.968 10.944 -1.913 1.00 0.00 H new ATOM 48 N SER A 6 -24.252 8.221 -2.192 1.00 0.00 N ATOM 49 CA SER A 6 -24.282 6.832 -2.636 1.00 0.00 C ATOM 50 C SER A 6 -22.951 6.143 -2.353 1.00 0.00 C ATOM 51 O SER A 6 -22.911 5.059 -1.772 1.00 0.00 O ATOM 52 CB SER A 6 -24.600 6.759 -4.131 1.00 0.00 C ATOM 53 OG SER A 6 -25.138 5.495 -4.477 1.00 0.00 O ATOM 0 H SER A 6 -24.574 8.894 -2.888 1.00 0.00 H new ATOM 0 HA SER A 6 -25.064 6.315 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.309 7.544 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.694 6.942 -4.708 1.00 0.00 H new ATOM 0 HG SER A 6 -25.334 5.475 -5.437 1.00 0.00 H new ATOM 59 N GLY A 7 -21.861 6.780 -2.770 1.00 0.00 N ATOM 60 CA GLY A 7 -20.542 6.215 -2.553 1.00 0.00 C ATOM 61 C GLY A 7 -19.846 5.852 -3.851 1.00 0.00 C ATOM 62 O GLY A 7 -19.520 4.689 -4.085 1.00 0.00 O ATOM 0 H GLY A 7 -21.868 7.678 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.930 6.930 -2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.629 5.325 -1.930 1.00 0.00 H new ATOM 66 N LYS A 8 -19.619 6.851 -4.697 1.00 0.00 N ATOM 67 CA LYS A 8 -18.959 6.633 -5.979 1.00 0.00 C ATOM 68 C LYS A 8 -17.471 6.358 -5.784 1.00 0.00 C ATOM 69 O LYS A 8 -16.811 7.003 -4.968 1.00 0.00 O ATOM 70 CB LYS A 8 -19.149 7.850 -6.887 1.00 0.00 C ATOM 71 CG LYS A 8 -20.508 7.897 -7.563 1.00 0.00 C ATOM 72 CD LYS A 8 -20.487 7.192 -8.909 1.00 0.00 C ATOM 73 CE LYS A 8 -20.836 5.718 -8.771 1.00 0.00 C ATOM 74 NZ LYS A 8 -19.625 4.879 -8.552 1.00 0.00 N ATOM 0 H LYS A 8 -19.882 7.820 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.413 5.762 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.014 8.757 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.372 7.848 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.252 7.430 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.811 8.935 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.195 7.673 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -19.499 7.293 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.526 5.585 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -21.353 5.382 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.503 4.230 -9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.788 5.491 -8.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.737 4.329 -7.676 1.00 0.00 H new ATOM 88 N THR A 9 -16.947 5.398 -6.539 1.00 0.00 N ATOM 89 CA THR A 9 -15.537 5.038 -6.449 1.00 0.00 C ATOM 90 C THR A 9 -14.650 6.159 -6.978 1.00 0.00 C ATOM 91 O THR A 9 -15.061 6.970 -7.808 1.00 0.00 O ATOM 92 CB THR A 9 -15.236 3.747 -7.233 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.852 4.066 -8.575 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.450 2.830 -7.252 1.00 0.00 C ATOM 0 H THR A 9 -17.478 4.855 -7.220 1.00 0.00 H new ATOM 0 HA THR A 9 -15.319 4.872 -5.394 1.00 0.00 H new ATOM 0 HB THR A 9 -14.416 3.229 -6.735 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.661 3.240 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.214 1.925 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.722 2.565 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.286 3.343 -7.728 1.00 0.00 H new ATOM 102 N PRO A 10 -13.401 6.206 -6.490 1.00 0.00 N ATOM 103 CA PRO A 10 -12.428 7.223 -6.901 1.00 0.00 C ATOM 104 C PRO A 10 -11.963 7.031 -8.341 1.00 0.00 C ATOM 105 O PRO A 10 -11.372 7.932 -8.937 1.00 0.00 O ATOM 106 CB PRO A 10 -11.264 7.013 -5.930 1.00 0.00 C ATOM 107 CG PRO A 10 -11.373 5.588 -5.510 1.00 0.00 C ATOM 108 CD PRO A 10 -12.843 5.271 -5.499 1.00 0.00 C ATOM 0 HA PRO A 10 -12.850 8.228 -6.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.306 7.212 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.336 7.684 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.838 4.936 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.934 5.437 -4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.032 4.233 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.280 5.424 -4.512 1.00 0.00 H new ATOM 116 N ILE A 11 -12.234 5.853 -8.893 1.00 0.00 N ATOM 117 CA ILE A 11 -11.843 5.545 -10.263 1.00 0.00 C ATOM 118 C ILE A 11 -12.914 5.992 -11.253 1.00 0.00 C ATOM 119 O ILE A 11 -12.605 6.402 -12.372 1.00 0.00 O ATOM 120 CB ILE A 11 -11.585 4.038 -10.450 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.561 3.544 -9.426 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.106 3.754 -11.866 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.160 4.056 -9.677 1.00 0.00 C ATOM 0 H ILE A 11 -12.722 5.097 -8.413 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.920 6.090 -10.458 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.520 3.501 -10.290 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.878 3.851 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.548 2.454 -9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.928 2.685 -11.982 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.866 4.075 -12.578 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.180 4.298 -12.053 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.488 3.666 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.823 3.726 -10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.159 5.145 -9.639 1.00 0.00 H new ATOM 135 N GLN A 12 -14.172 5.912 -10.833 1.00 0.00 N ATOM 136 CA GLN A 12 -15.288 6.310 -11.683 1.00 0.00 C ATOM 137 C GLN A 12 -15.453 7.826 -11.690 1.00 0.00 C ATOM 138 O GLN A 12 -15.599 8.440 -12.747 1.00 0.00 O ATOM 139 CB GLN A 12 -16.581 5.646 -11.206 1.00 0.00 C ATOM 140 CG GLN A 12 -16.741 4.212 -11.684 1.00 0.00 C ATOM 141 CD GLN A 12 -16.276 4.019 -13.114 1.00 0.00 C ATOM 142 OE1 GLN A 12 -16.968 4.396 -14.060 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.099 3.428 -13.280 1.00 0.00 N ATOM 0 H GLN A 12 -14.444 5.575 -9.909 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.073 5.982 -12.700 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.607 5.662 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.431 6.233 -11.554 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.175 3.549 -11.029 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.788 3.921 -11.604 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.558 3.131 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.735 3.271 -14.220 1.00 0.00 H new ATOM 152 N VAL A 13 -15.429 8.425 -10.503 1.00 0.00 N ATOM 153 CA VAL A 13 -15.576 9.870 -10.373 1.00 0.00 C ATOM 154 C VAL A 13 -14.491 10.605 -11.152 1.00 0.00 C ATOM 155 O VAL A 13 -14.776 11.307 -12.123 1.00 0.00 O ATOM 156 CB VAL A 13 -15.519 10.308 -8.898 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.573 11.825 -8.789 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.652 9.669 -8.108 1.00 0.00 C ATOM 0 H VAL A 13 -15.309 7.932 -9.618 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.552 10.128 -10.784 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.574 9.970 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.532 12.116 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.725 12.258 -9.319 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.501 12.189 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.596 9.990 -7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.609 9.975 -8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.564 8.584 -8.158 1.00 0.00 H new ATOM 168 N LEU A 14 -13.245 10.438 -10.722 1.00 0.00 N ATOM 169 CA LEU A 14 -12.115 11.085 -11.379 1.00 0.00 C ATOM 170 C LEU A 14 -12.261 11.024 -12.897 1.00 0.00 C ATOM 171 O LEU A 14 -12.433 12.050 -13.556 1.00 0.00 O ATOM 172 CB LEU A 14 -10.804 10.422 -10.954 1.00 0.00 C ATOM 173 CG LEU A 14 -9.565 11.318 -10.964 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.299 10.476 -10.996 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.605 12.270 -12.151 1.00 0.00 C ATOM 0 H LEU A 14 -12.992 9.860 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.100 12.132 -11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.931 10.023 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.619 9.573 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.560 11.910 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.427 11.130 -11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.265 9.836 -10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.296 9.858 -11.894 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.716 12.900 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.634 11.696 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.494 12.897 -12.085 1.00 0.00 H new ATOM 187 N HIS A 15 -12.192 9.815 -13.444 1.00 0.00 N ATOM 188 CA HIS A 15 -12.318 9.620 -14.884 1.00 0.00 C ATOM 189 C HIS A 15 -13.559 10.327 -15.421 1.00 0.00 C ATOM 190 O HIS A 15 -13.458 11.353 -16.092 1.00 0.00 O ATOM 191 CB HIS A 15 -12.384 8.128 -15.214 1.00 0.00 C ATOM 192 CG HIS A 15 -12.394 7.840 -16.684 1.00 0.00 C ATOM 193 ND1 HIS A 15 -11.317 8.092 -17.508 1.00 0.00 N ATOM 194 CD2 HIS A 15 -13.358 7.316 -17.477 1.00 0.00 C ATOM 195 CE1 HIS A 15 -11.619 7.737 -18.744 1.00 0.00 C ATOM 196 NE2 HIS A 15 -12.852 7.263 -18.752 1.00 0.00 N ATOM 0 H HIS A 15 -12.050 8.956 -12.913 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.439 10.052 -15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.530 7.626 -14.759 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.281 7.704 -14.763 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.342 6.999 -17.165 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.968 7.820 -19.602 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.348 6.914 -19.572 1.00 0.00 H new ATOM 204 N GLU A 16 -14.728 9.768 -15.122 1.00 0.00 N ATOM 205 CA GLU A 16 -15.988 10.345 -15.577 1.00 0.00 C ATOM 206 C GLU A 16 -15.924 11.870 -15.564 1.00 0.00 C ATOM 207 O GLU A 16 -16.423 12.530 -16.476 1.00 0.00 O ATOM 208 CB GLU A 16 -17.142 9.865 -14.695 1.00 0.00 C ATOM 209 CG GLU A 16 -17.519 8.411 -14.923 1.00 0.00 C ATOM 210 CD GLU A 16 -18.843 8.044 -14.283 1.00 0.00 C ATOM 211 OE1 GLU A 16 -19.639 8.963 -13.998 1.00 0.00 O ATOM 212 OE2 GLU A 16 -19.084 6.838 -14.066 1.00 0.00 O ATOM 0 H GLU A 16 -14.829 8.918 -14.568 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.161 10.014 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.869 10.001 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.015 10.491 -14.881 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.572 8.217 -15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.735 7.769 -14.521 1.00 0.00 H new ATOM 219 N TYR A 17 -15.307 12.422 -14.526 1.00 0.00 N ATOM 220 CA TYR A 17 -15.180 13.868 -14.392 1.00 0.00 C ATOM 221 C TYR A 17 -14.259 14.436 -15.467 1.00 0.00 C ATOM 222 O TYR A 17 -14.613 15.384 -16.167 1.00 0.00 O ATOM 223 CB TYR A 17 -14.646 14.228 -13.005 1.00 0.00 C ATOM 224 CG TYR A 17 -13.930 15.559 -12.959 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.637 16.747 -12.818 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.545 15.629 -13.054 1.00 0.00 C ATOM 227 CE1 TYR A 17 -13.987 17.965 -12.776 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.886 16.842 -13.012 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.612 18.007 -12.873 1.00 0.00 C ATOM 230 OH TYR A 17 -11.960 19.219 -12.830 1.00 0.00 O ATOM 0 H TYR A 17 -14.887 11.890 -13.764 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.170 14.307 -14.518 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.476 14.247 -12.299 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.963 13.446 -12.673 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.714 16.717 -12.740 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.974 14.719 -13.163 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.552 18.879 -12.668 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.809 16.878 -13.087 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.994 19.074 -12.910 1.00 0.00 H new ATOM 240 N GLY A 18 -13.074 13.846 -15.594 1.00 0.00 N ATOM 241 CA GLY A 18 -12.119 14.305 -16.586 1.00 0.00 C ATOM 242 C GLY A 18 -12.791 14.799 -17.852 1.00 0.00 C ATOM 243 O GLY A 18 -12.491 15.890 -18.336 1.00 0.00 O ATOM 0 H GLY A 18 -12.758 13.059 -15.028 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.516 15.108 -16.161 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.438 13.491 -16.834 1.00 0.00 H new ATOM 247 N MET A 19 -13.700 13.993 -18.390 1.00 0.00 N ATOM 248 CA MET A 19 -14.416 14.355 -19.608 1.00 0.00 C ATOM 249 C MET A 19 -14.941 15.785 -19.526 1.00 0.00 C ATOM 250 O MET A 19 -14.742 16.584 -20.441 1.00 0.00 O ATOM 251 CB MET A 19 -15.575 13.386 -19.851 1.00 0.00 C ATOM 252 CG MET A 19 -15.139 11.935 -19.972 1.00 0.00 C ATOM 253 SD MET A 19 -16.533 10.801 -20.117 1.00 0.00 S ATOM 254 CE MET A 19 -15.867 9.343 -19.316 1.00 0.00 C ATOM 0 H MET A 19 -13.958 13.086 -18.002 1.00 0.00 H new ATOM 0 HA MET A 19 -13.718 14.291 -20.443 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.290 13.475 -19.033 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.096 13.677 -20.763 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.494 11.825 -20.844 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.545 11.664 -19.099 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.662 8.829 -18.777 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.447 8.675 -20.068 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.085 9.638 -18.616 1.00 0.00 H new ATOM 264 N LYS A 20 -15.614 16.101 -18.425 1.00 0.00 N ATOM 265 CA LYS A 20 -16.167 17.434 -18.222 1.00 0.00 C ATOM 266 C LYS A 20 -15.139 18.508 -18.562 1.00 0.00 C ATOM 267 O LYS A 20 -15.418 19.430 -19.330 1.00 0.00 O ATOM 268 CB LYS A 20 -16.634 17.600 -16.774 1.00 0.00 C ATOM 269 CG LYS A 20 -17.910 16.840 -16.455 1.00 0.00 C ATOM 270 CD LYS A 20 -18.769 17.590 -15.451 1.00 0.00 C ATOM 271 CE LYS A 20 -18.058 17.745 -14.115 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.769 18.695 -13.215 1.00 0.00 N ATOM 0 H LYS A 20 -15.790 15.451 -17.659 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.021 17.550 -18.889 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.843 17.262 -16.105 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.792 18.659 -16.571 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.477 16.678 -17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.659 15.856 -16.058 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.019 18.574 -15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.709 17.057 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.982 16.772 -13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.040 18.097 -14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.253 18.773 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.819 19.630 -13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.732 18.346 -13.033 1.00 0.00 H new ATOM 286 N THR A 21 -13.947 18.383 -17.987 1.00 0.00 N ATOM 287 CA THR A 21 -12.877 19.342 -18.230 1.00 0.00 C ATOM 288 C THR A 21 -12.067 18.962 -19.464 1.00 0.00 C ATOM 289 O THR A 21 -10.893 19.315 -19.583 1.00 0.00 O ATOM 290 CB THR A 21 -11.929 19.444 -17.020 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.332 18.170 -16.755 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.677 19.925 -15.786 1.00 0.00 C ATOM 0 H THR A 21 -13.698 17.627 -17.349 1.00 0.00 H new ATOM 0 HA THR A 21 -13.351 20.309 -18.394 1.00 0.00 H new ATOM 0 HB THR A 21 -11.149 20.167 -17.258 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.743 17.490 -17.329 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.987 19.989 -14.944 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.105 20.908 -15.980 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.476 19.222 -15.548 1.00 0.00 H new ATOM 300 N LYS A 22 -12.701 18.240 -20.382 1.00 0.00 N ATOM 301 CA LYS A 22 -12.040 17.813 -21.610 1.00 0.00 C ATOM 302 C LYS A 22 -10.643 17.275 -21.318 1.00 0.00 C ATOM 303 O LYS A 22 -9.733 17.411 -22.133 1.00 0.00 O ATOM 304 CB LYS A 22 -11.953 18.979 -22.598 1.00 0.00 C ATOM 305 CG LYS A 22 -13.300 19.597 -22.931 1.00 0.00 C ATOM 306 CD LYS A 22 -14.182 18.630 -23.703 1.00 0.00 C ATOM 307 CE LYS A 22 -15.397 19.331 -24.291 1.00 0.00 C ATOM 308 NZ LYS A 22 -16.327 18.372 -24.948 1.00 0.00 N ATOM 0 H LYS A 22 -13.672 17.938 -20.299 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.633 17.012 -22.053 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.303 19.749 -22.182 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.485 18.630 -23.519 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.803 19.894 -22.010 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.150 20.503 -23.519 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.604 18.169 -24.504 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.508 17.827 -23.042 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.925 19.866 -23.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.071 20.076 -25.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.142 18.889 -25.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.831 17.880 -25.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.659 17.676 -24.250 1.00 0.00 H new ATOM 322 N ASN A 23 -10.483 16.662 -20.150 1.00 0.00 N ATOM 323 CA ASN A 23 -9.197 16.102 -19.751 1.00 0.00 C ATOM 324 C ASN A 23 -9.384 14.774 -19.022 1.00 0.00 C ATOM 325 O ASN A 23 -9.930 14.732 -17.919 1.00 0.00 O ATOM 326 CB ASN A 23 -8.444 17.087 -18.854 1.00 0.00 C ATOM 327 CG ASN A 23 -8.198 18.418 -19.537 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.869 18.469 -20.722 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.357 19.505 -18.790 1.00 0.00 N ATOM 0 H ASN A 23 -11.227 16.540 -19.463 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.612 15.922 -20.653 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.014 17.251 -17.940 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.489 16.650 -18.560 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.205 20.429 -19.195 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.631 19.416 -17.811 1.00 0.00 H new ATOM 336 N ILE A 24 -8.927 13.694 -19.646 1.00 0.00 N ATOM 337 CA ILE A 24 -9.042 12.366 -19.056 1.00 0.00 C ATOM 338 C ILE A 24 -7.788 12.003 -18.268 1.00 0.00 C ATOM 339 O ILE A 24 -6.661 12.246 -18.701 1.00 0.00 O ATOM 340 CB ILE A 24 -9.288 11.292 -20.132 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.497 11.666 -20.991 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.492 9.930 -19.484 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.748 11.941 -20.186 1.00 0.00 C ATOM 0 H ILE A 24 -8.474 13.712 -20.560 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.897 12.394 -18.380 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.411 11.238 -20.777 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.254 12.549 -21.582 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.697 10.857 -21.694 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.665 9.181 -20.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.604 9.663 -18.912 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.354 9.969 -18.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.565 12.200 -20.860 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.016 11.052 -19.615 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.566 12.770 -19.502 1.00 0.00 H new ATOM 355 N PRO A 25 -7.985 11.406 -17.083 1.00 0.00 N ATOM 356 CA PRO A 25 -6.882 10.995 -16.211 1.00 0.00 C ATOM 357 C PRO A 25 -6.098 9.819 -16.783 1.00 0.00 C ATOM 358 O PRO A 25 -6.634 8.723 -16.949 1.00 0.00 O ATOM 359 CB PRO A 25 -7.587 10.587 -14.915 1.00 0.00 C ATOM 360 CG PRO A 25 -8.963 10.200 -15.338 1.00 0.00 C ATOM 361 CD PRO A 25 -9.301 11.086 -16.505 1.00 0.00 C ATOM 0 HA PRO A 25 -6.148 11.790 -16.081 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.074 9.757 -14.430 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.609 11.410 -14.200 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.003 9.148 -15.622 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.675 10.338 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.942 10.576 -17.224 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.830 11.985 -16.187 1.00 0.00 H new ATOM 369 N VAL A 26 -4.824 10.053 -17.084 1.00 0.00 N ATOM 370 CA VAL A 26 -3.965 9.013 -17.637 1.00 0.00 C ATOM 371 C VAL A 26 -3.424 8.106 -16.537 1.00 0.00 C ATOM 372 O VAL A 26 -3.211 8.543 -15.406 1.00 0.00 O ATOM 373 CB VAL A 26 -2.783 9.617 -18.417 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.279 10.622 -19.445 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.790 10.264 -17.463 1.00 0.00 C ATOM 0 H VAL A 26 -4.364 10.954 -16.954 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.578 8.425 -18.320 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.272 8.813 -18.947 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.429 11.038 -19.986 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.948 10.124 -20.147 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.816 11.425 -18.939 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.961 10.686 -18.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.287 11.057 -16.903 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.410 9.514 -16.770 1.00 0.00 H new ATOM 385 N TYR A 27 -3.203 6.841 -16.877 1.00 0.00 N ATOM 386 CA TYR A 27 -2.688 5.871 -15.918 1.00 0.00 C ATOM 387 C TYR A 27 -1.541 5.064 -16.521 1.00 0.00 C ATOM 388 O TYR A 27 -1.758 4.188 -17.357 1.00 0.00 O ATOM 389 CB TYR A 27 -3.804 4.929 -15.464 1.00 0.00 C ATOM 390 CG TYR A 27 -4.865 5.607 -14.626 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.861 6.373 -15.218 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.870 5.480 -13.242 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.831 6.995 -14.456 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.837 6.097 -12.472 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.815 6.854 -13.084 1.00 0.00 C ATOM 396 OH TYR A 27 -7.781 7.471 -12.321 1.00 0.00 O ATOM 0 H TYR A 27 -3.372 6.463 -17.809 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.309 6.418 -15.055 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.274 4.487 -16.342 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.367 4.112 -14.890 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.877 6.484 -16.292 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.105 4.889 -12.760 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.598 7.588 -14.932 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.828 5.988 -11.398 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.645 7.032 -12.469 1.00 0.00 H new ATOM 406 N GLU A 28 -0.321 5.369 -16.090 1.00 0.00 N ATOM 407 CA GLU A 28 0.860 4.673 -16.587 1.00 0.00 C ATOM 408 C GLU A 28 1.635 4.030 -15.441 1.00 0.00 C ATOM 409 O GLU A 28 1.828 4.640 -14.388 1.00 0.00 O ATOM 410 CB GLU A 28 1.766 5.641 -17.351 1.00 0.00 C ATOM 411 CG GLU A 28 2.779 4.949 -18.247 1.00 0.00 C ATOM 412 CD GLU A 28 2.215 4.614 -19.614 1.00 0.00 C ATOM 413 OE1 GLU A 28 1.139 3.984 -19.675 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.852 4.983 -20.624 1.00 0.00 O ATOM 0 H GLU A 28 -0.125 6.093 -15.398 1.00 0.00 H new ATOM 0 HA GLU A 28 0.528 3.886 -17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.147 6.301 -17.959 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.296 6.270 -16.636 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.652 5.591 -18.366 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.120 4.033 -17.764 1.00 0.00 H new ATOM 421 N CYS A 29 2.077 2.796 -15.653 1.00 0.00 N ATOM 422 CA CYS A 29 2.831 2.069 -14.637 1.00 0.00 C ATOM 423 C CYS A 29 4.322 2.374 -14.744 1.00 0.00 C ATOM 424 O CYS A 29 4.975 1.993 -15.715 1.00 0.00 O ATOM 425 CB CYS A 29 2.595 0.564 -14.777 1.00 0.00 C ATOM 426 SG CYS A 29 3.057 -0.109 -16.391 1.00 0.00 S ATOM 0 H CYS A 29 1.927 2.278 -16.518 1.00 0.00 H new ATOM 0 HA CYS A 29 2.481 2.395 -13.657 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.161 0.045 -14.003 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.541 0.354 -14.596 1.00 0.00 H new ATOM 0 HG CYS A 29 4.086 0.538 -16.853 1.00 0.00 H new ATOM 432 N GLU A 30 4.852 3.065 -13.740 1.00 0.00 N ATOM 433 CA GLU A 30 6.266 3.424 -13.723 1.00 0.00 C ATOM 434 C GLU A 30 7.120 2.246 -13.262 1.00 0.00 C ATOM 435 O GLU A 30 7.877 1.671 -14.044 1.00 0.00 O ATOM 436 CB GLU A 30 6.499 4.627 -12.807 1.00 0.00 C ATOM 437 CG GLU A 30 6.184 5.961 -13.463 1.00 0.00 C ATOM 438 CD GLU A 30 6.064 7.091 -12.459 1.00 0.00 C ATOM 439 OE1 GLU A 30 5.018 7.173 -11.782 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.015 7.893 -12.351 1.00 0.00 O ATOM 0 H GLU A 30 4.325 3.387 -12.929 1.00 0.00 H new ATOM 0 HA GLU A 30 6.560 3.689 -14.739 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.885 4.517 -11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.539 4.629 -12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.966 6.201 -14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.252 5.876 -14.022 1.00 0.00 H new ATOM 447 N ARG A 31 6.993 1.895 -11.987 1.00 0.00 N ATOM 448 CA ARG A 31 7.754 0.788 -11.420 1.00 0.00 C ATOM 449 C ARG A 31 6.886 -0.460 -11.292 1.00 0.00 C ATOM 450 O ARG A 31 5.811 -0.421 -10.693 1.00 0.00 O ATOM 451 CB ARG A 31 8.315 1.175 -10.050 1.00 0.00 C ATOM 452 CG ARG A 31 9.114 0.067 -9.384 1.00 0.00 C ATOM 453 CD ARG A 31 10.530 -0.007 -9.933 1.00 0.00 C ATOM 454 NE ARG A 31 11.374 1.067 -9.415 1.00 0.00 N ATOM 455 CZ ARG A 31 12.593 1.329 -9.874 1.00 0.00 C ATOM 456 NH1 ARG A 31 13.107 0.600 -10.854 1.00 0.00 N ATOM 457 NH2 ARG A 31 13.300 2.323 -9.351 1.00 0.00 N ATOM 0 H ARG A 31 6.370 2.361 -11.327 1.00 0.00 H new ATOM 0 HA ARG A 31 8.581 0.566 -12.094 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.951 2.053 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.491 1.460 -9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.148 0.238 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.612 -0.888 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.969 -0.970 -9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.500 0.048 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 31 11.008 1.647 -8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.567 -0.165 -11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.043 0.804 -11.204 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.908 2.886 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.236 2.524 -9.704 1.00 0.00 H new ATOM 471 N SER A 32 7.359 -1.565 -11.858 1.00 0.00 N ATOM 472 CA SER A 32 6.624 -2.824 -11.811 1.00 0.00 C ATOM 473 C SER A 32 7.474 -3.926 -11.186 1.00 0.00 C ATOM 474 O SER A 32 8.322 -4.523 -11.850 1.00 0.00 O ATOM 475 CB SER A 32 6.187 -3.236 -13.218 1.00 0.00 C ATOM 476 OG SER A 32 7.305 -3.392 -14.074 1.00 0.00 O ATOM 0 H SER A 32 8.248 -1.615 -12.355 1.00 0.00 H new ATOM 0 HA SER A 32 5.739 -2.677 -11.192 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.629 -4.171 -13.170 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.513 -2.483 -13.628 1.00 0.00 H new ATOM 0 HG SER A 32 8.007 -3.891 -13.607 1.00 0.00 H new ATOM 482 N ASP A 33 7.240 -4.191 -9.906 1.00 0.00 N ATOM 483 CA ASP A 33 7.982 -5.222 -9.190 1.00 0.00 C ATOM 484 C ASP A 33 7.091 -6.423 -8.890 1.00 0.00 C ATOM 485 O ASP A 33 6.062 -6.296 -8.227 1.00 0.00 O ATOM 486 CB ASP A 33 8.554 -4.658 -7.889 1.00 0.00 C ATOM 487 CG ASP A 33 9.904 -3.997 -8.088 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.795 -4.636 -8.687 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.070 -2.842 -7.645 1.00 0.00 O ATOM 0 H ASP A 33 6.542 -3.706 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 33 8.804 -5.552 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.855 -3.932 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.651 -5.462 -7.159 1.00 0.00 H new ATOM 494 N VAL A 34 7.494 -7.590 -9.385 1.00 0.00 N ATOM 495 CA VAL A 34 6.732 -8.815 -9.170 1.00 0.00 C ATOM 496 C VAL A 34 7.525 -9.815 -8.337 1.00 0.00 C ATOM 497 O VAL A 34 8.494 -10.405 -8.814 1.00 0.00 O ATOM 498 CB VAL A 34 6.339 -9.473 -10.506 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.295 -8.635 -11.227 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.568 -9.677 -11.380 1.00 0.00 C ATOM 0 H VAL A 34 8.343 -7.712 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 34 5.827 -8.535 -8.632 1.00 0.00 H new ATOM 0 HB VAL A 34 5.904 -10.450 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.030 -9.116 -12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.406 -8.545 -10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.700 -7.643 -11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.273 -10.143 -12.320 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.034 -8.713 -11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.279 -10.322 -10.863 1.00 0.00 H new ATOM 510 N GLN A 35 7.105 -10.002 -7.089 1.00 0.00 N ATOM 511 CA GLN A 35 7.777 -10.932 -6.189 1.00 0.00 C ATOM 512 C GLN A 35 6.778 -11.899 -5.562 1.00 0.00 C ATOM 513 O GLN A 35 7.001 -13.110 -5.543 1.00 0.00 O ATOM 514 CB GLN A 35 8.520 -10.167 -5.093 1.00 0.00 C ATOM 515 CG GLN A 35 9.562 -9.197 -5.628 1.00 0.00 C ATOM 516 CD GLN A 35 10.583 -8.801 -4.580 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.233 -8.278 -3.521 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.855 -9.050 -4.869 1.00 0.00 N ATOM 0 H GLN A 35 6.304 -9.522 -6.679 1.00 0.00 H new ATOM 0 HA GLN A 35 8.496 -11.507 -6.772 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.797 -9.616 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.007 -10.881 -4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.075 -9.652 -6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.063 -8.302 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.100 -9.485 -5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.587 -8.806 -4.201 1.00 0.00 H new ATOM 527 N ILE A 36 5.679 -11.357 -5.050 1.00 0.00 N ATOM 528 CA ILE A 36 4.646 -12.173 -4.423 1.00 0.00 C ATOM 529 C ILE A 36 3.380 -12.206 -5.272 1.00 0.00 C ATOM 530 O ILE A 36 3.324 -11.606 -6.346 1.00 0.00 O ATOM 531 CB ILE A 36 4.294 -11.653 -3.016 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.507 -10.345 -3.115 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.558 -11.456 -2.193 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.343 -9.169 -3.568 1.00 0.00 C ATOM 0 H ILE A 36 5.480 -10.357 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 36 5.050 -13.182 -4.338 1.00 0.00 H new ATOM 0 HB ILE A 36 3.670 -12.394 -2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.679 -10.481 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.072 -10.118 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.293 -11.088 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.083 -12.407 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.205 -10.732 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.720 -8.276 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.156 -9.007 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.757 -9.375 -4.555 1.00 0.00 H new ATOM 546 N HIS A 37 2.363 -12.908 -4.782 1.00 0.00 N ATOM 547 CA HIS A 37 1.095 -13.017 -5.495 1.00 0.00 C ATOM 548 C HIS A 37 0.627 -11.649 -5.982 1.00 0.00 C ATOM 549 O HIS A 37 0.298 -11.475 -7.155 1.00 0.00 O ATOM 550 CB HIS A 37 0.031 -13.643 -4.593 1.00 0.00 C ATOM 551 CG HIS A 37 -0.304 -12.809 -3.395 1.00 0.00 C ATOM 552 ND1 HIS A 37 -1.547 -12.248 -3.192 1.00 0.00 N ATOM 553 CD2 HIS A 37 0.450 -12.444 -2.332 1.00 0.00 C ATOM 554 CE1 HIS A 37 -1.543 -11.572 -2.057 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.343 -11.676 -1.515 1.00 0.00 N ATOM 0 H HIS A 37 2.392 -13.410 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 37 1.247 -13.659 -6.363 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.875 -13.809 -5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.379 -14.621 -4.259 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.483 -12.708 -2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.379 -11.027 -1.643 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.052 -11.254 -0.633 1.00 0.00 H new ATOM 563 N VAL A 38 0.598 -10.681 -5.072 1.00 0.00 N ATOM 564 CA VAL A 38 0.170 -9.328 -5.408 1.00 0.00 C ATOM 565 C VAL A 38 1.366 -8.398 -5.572 1.00 0.00 C ATOM 566 O VAL A 38 1.942 -7.909 -4.599 1.00 0.00 O ATOM 567 CB VAL A 38 -0.770 -8.753 -4.332 1.00 0.00 C ATOM 568 CG1 VAL A 38 -0.041 -8.613 -3.004 1.00 0.00 C ATOM 569 CG2 VAL A 38 -1.338 -7.415 -4.781 1.00 0.00 C ATOM 0 H VAL A 38 0.866 -10.808 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.369 -9.392 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.600 -9.446 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.722 -8.205 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.312 -9.591 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.809 -7.942 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.000 -7.023 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.522 -6.712 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.899 -7.550 -5.706 1.00 0.00 H new ATOM 579 N PRO A 39 1.750 -8.145 -6.832 1.00 0.00 N ATOM 580 CA PRO A 39 2.882 -7.270 -7.153 1.00 0.00 C ATOM 581 C PRO A 39 2.588 -5.805 -6.845 1.00 0.00 C ATOM 582 O PRO A 39 1.496 -5.462 -6.392 1.00 0.00 O ATOM 583 CB PRO A 39 3.069 -7.472 -8.659 1.00 0.00 C ATOM 584 CG PRO A 39 1.730 -7.897 -9.154 1.00 0.00 C ATOM 585 CD PRO A 39 1.110 -8.693 -8.039 1.00 0.00 C ATOM 0 HA PRO A 39 3.766 -7.513 -6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.397 -6.552 -9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.826 -8.229 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.115 -7.033 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.821 -8.498 -10.059 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.027 -8.570 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.307 -9.759 -8.149 1.00 0.00 H new ATOM 593 N THR A 40 3.571 -4.945 -7.093 1.00 0.00 N ATOM 594 CA THR A 40 3.418 -3.517 -6.841 1.00 0.00 C ATOM 595 C THR A 40 3.502 -2.718 -8.137 1.00 0.00 C ATOM 596 O THR A 40 4.547 -2.680 -8.787 1.00 0.00 O ATOM 597 CB THR A 40 4.490 -3.002 -5.863 1.00 0.00 C ATOM 598 OG1 THR A 40 5.796 -3.319 -6.355 1.00 0.00 O ATOM 599 CG2 THR A 40 4.300 -3.612 -4.482 1.00 0.00 C ATOM 0 H THR A 40 4.481 -5.212 -7.468 1.00 0.00 H new ATOM 0 HA THR A 40 2.433 -3.378 -6.395 1.00 0.00 H new ATOM 0 HB THR A 40 4.387 -1.920 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.792 -3.291 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.069 -3.234 -3.808 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.316 -3.343 -4.098 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.379 -4.697 -4.550 1.00 0.00 H new ATOM 607 N PHE A 41 2.397 -2.080 -8.507 1.00 0.00 N ATOM 608 CA PHE A 41 2.346 -1.282 -9.725 1.00 0.00 C ATOM 609 C PHE A 41 2.134 0.194 -9.400 1.00 0.00 C ATOM 610 O PHE A 41 1.120 0.573 -8.813 1.00 0.00 O ATOM 611 CB PHE A 41 1.226 -1.780 -10.641 1.00 0.00 C ATOM 612 CG PHE A 41 1.574 -3.039 -11.383 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.827 -4.216 -10.697 1.00 0.00 C ATOM 614 CD2 PHE A 41 1.648 -3.045 -12.767 1.00 0.00 C ATOM 615 CE1 PHE A 41 2.147 -5.376 -11.377 1.00 0.00 C ATOM 616 CE2 PHE A 41 1.967 -4.202 -13.452 1.00 0.00 C ATOM 617 CZ PHE A 41 2.218 -5.368 -12.756 1.00 0.00 C ATOM 0 H PHE A 41 1.524 -2.100 -7.980 1.00 0.00 H new ATOM 0 HA PHE A 41 3.301 -1.389 -10.239 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.330 -1.955 -10.045 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.982 -0.999 -11.361 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.774 -4.227 -9.618 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.454 -2.135 -13.316 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.341 -6.287 -10.831 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.020 -4.194 -14.531 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.470 -6.273 -13.290 1.00 0.00 H new ATOM 627 N THR A 42 3.099 1.024 -9.786 1.00 0.00 N ATOM 628 CA THR A 42 3.020 2.457 -9.534 1.00 0.00 C ATOM 629 C THR A 42 2.365 3.185 -10.703 1.00 0.00 C ATOM 630 O THR A 42 3.012 3.472 -11.710 1.00 0.00 O ATOM 631 CB THR A 42 4.415 3.061 -9.285 1.00 0.00 C ATOM 632 OG1 THR A 42 5.001 2.474 -8.118 1.00 0.00 O ATOM 633 CG2 THR A 42 4.327 4.570 -9.110 1.00 0.00 C ATOM 0 H THR A 42 3.944 0.728 -10.274 1.00 0.00 H new ATOM 0 HA THR A 42 2.410 2.588 -8.640 1.00 0.00 H new ATOM 0 HB THR A 42 5.040 2.847 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.888 2.862 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.324 4.975 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.907 5.017 -10.011 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.687 4.801 -8.258 1.00 0.00 H new ATOM 641 N PHE A 43 1.077 3.481 -10.562 1.00 0.00 N ATOM 642 CA PHE A 43 0.334 4.176 -11.607 1.00 0.00 C ATOM 643 C PHE A 43 0.341 5.683 -11.369 1.00 0.00 C ATOM 644 O PHE A 43 0.030 6.151 -10.274 1.00 0.00 O ATOM 645 CB PHE A 43 -1.107 3.664 -11.664 1.00 0.00 C ATOM 646 CG PHE A 43 -1.242 2.326 -12.332 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.030 1.156 -11.620 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.579 2.237 -13.673 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.154 -0.077 -12.232 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.705 1.007 -14.290 1.00 0.00 C ATOM 651 CZ PHE A 43 -1.490 -0.152 -13.569 1.00 0.00 C ATOM 0 H PHE A 43 0.526 3.251 -9.735 1.00 0.00 H new ATOM 0 HA PHE A 43 0.822 3.974 -12.560 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.500 3.596 -10.650 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.721 4.390 -12.196 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.765 1.208 -10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.745 3.139 -14.243 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.988 -0.981 -11.665 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.971 0.952 -15.335 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.585 -1.114 -14.050 1.00 0.00 H new ATOM 661 N ARG A 44 0.699 6.438 -12.403 1.00 0.00 N ATOM 662 CA ARG A 44 0.749 7.891 -12.307 1.00 0.00 C ATOM 663 C ARG A 44 -0.497 8.520 -12.922 1.00 0.00 C ATOM 664 O ARG A 44 -0.836 8.253 -14.075 1.00 0.00 O ATOM 665 CB ARG A 44 2.001 8.427 -13.004 1.00 0.00 C ATOM 666 CG ARG A 44 2.197 9.925 -12.837 1.00 0.00 C ATOM 667 CD ARG A 44 3.613 10.345 -13.200 1.00 0.00 C ATOM 668 NE ARG A 44 3.896 10.148 -14.619 1.00 0.00 N ATOM 669 CZ ARG A 44 4.972 10.632 -15.229 1.00 0.00 C ATOM 670 NH1 ARG A 44 5.863 11.338 -14.546 1.00 0.00 N ATOM 671 NH2 ARG A 44 5.159 10.410 -16.523 1.00 0.00 N ATOM 0 H ARG A 44 0.959 6.067 -13.317 1.00 0.00 H new ATOM 0 HA ARG A 44 0.787 8.159 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.875 7.909 -12.611 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.943 8.193 -14.067 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.485 10.459 -13.467 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.985 10.208 -11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.756 11.395 -12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.325 9.772 -12.606 1.00 0.00 H new ATOM 0 HE ARG A 44 3.230 9.609 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.723 11.510 -13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.689 11.709 -15.016 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.476 9.867 -17.051 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.986 10.782 -16.990 1.00 0.00 H new ATOM 685 N VAL A 45 -1.177 9.357 -12.145 1.00 0.00 N ATOM 686 CA VAL A 45 -2.386 10.024 -12.613 1.00 0.00 C ATOM 687 C VAL A 45 -2.111 11.484 -12.954 1.00 0.00 C ATOM 688 O VAL A 45 -1.710 12.270 -12.095 1.00 0.00 O ATOM 689 CB VAL A 45 -3.508 9.957 -11.560 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.298 11.016 -10.488 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.869 10.118 -12.220 1.00 0.00 C ATOM 0 H VAL A 45 -0.911 9.589 -11.188 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.709 9.498 -13.511 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.475 8.978 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.100 10.954 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.340 10.850 -9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.303 12.005 -10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.650 10.068 -11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.916 11.082 -12.726 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.018 9.319 -12.947 1.00 0.00 H new ATOM 701 N THR A 46 -2.329 11.843 -14.216 1.00 0.00 N ATOM 702 CA THR A 46 -2.104 13.208 -14.672 1.00 0.00 C ATOM 703 C THR A 46 -3.395 13.837 -15.183 1.00 0.00 C ATOM 704 O THR A 46 -3.947 13.410 -16.197 1.00 0.00 O ATOM 705 CB THR A 46 -1.044 13.260 -15.789 1.00 0.00 C ATOM 706 OG1 THR A 46 0.148 12.589 -15.365 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.718 14.699 -16.160 1.00 0.00 C ATOM 0 H THR A 46 -2.661 11.206 -14.940 1.00 0.00 H new ATOM 0 HA THR A 46 -1.743 13.773 -13.812 1.00 0.00 H new ATOM 0 HB THR A 46 -1.450 12.758 -16.668 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.816 12.625 -16.081 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.033 14.710 -16.950 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.621 15.198 -16.511 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.331 15.222 -15.285 1.00 0.00 H new ATOM 715 N VAL A 47 -3.872 14.856 -14.475 1.00 0.00 N ATOM 716 CA VAL A 47 -5.098 15.546 -14.858 1.00 0.00 C ATOM 717 C VAL A 47 -4.870 17.049 -14.971 1.00 0.00 C ATOM 718 O VAL A 47 -4.716 17.742 -13.967 1.00 0.00 O ATOM 719 CB VAL A 47 -6.229 15.284 -13.845 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.455 16.116 -14.187 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.574 13.803 -13.803 1.00 0.00 C ATOM 0 H VAL A 47 -3.428 15.222 -13.633 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.393 15.152 -15.831 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.883 15.581 -12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.243 15.918 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.195 17.174 -14.161 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.806 15.853 -15.185 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.375 13.636 -13.082 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.901 13.477 -14.791 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.694 13.233 -13.506 1.00 0.00 H new ATOM 731 N GLY A 48 -4.851 17.547 -16.204 1.00 0.00 N ATOM 732 CA GLY A 48 -4.642 18.966 -16.427 1.00 0.00 C ATOM 733 C GLY A 48 -3.274 19.430 -15.966 1.00 0.00 C ATOM 734 O GLY A 48 -2.331 19.484 -16.755 1.00 0.00 O ATOM 0 H GLY A 48 -4.976 16.994 -17.052 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.758 19.185 -17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.411 19.531 -15.899 1.00 0.00 H new ATOM 738 N ASP A 49 -3.166 19.768 -14.686 1.00 0.00 N ATOM 739 CA ASP A 49 -1.904 20.230 -14.121 1.00 0.00 C ATOM 740 C ASP A 49 -1.507 19.386 -12.914 1.00 0.00 C ATOM 741 O ASP A 49 -0.363 19.435 -12.460 1.00 0.00 O ATOM 742 CB ASP A 49 -2.011 21.702 -13.716 1.00 0.00 C ATOM 743 CG ASP A 49 -1.655 22.642 -14.851 1.00 0.00 C ATOM 744 OD1 ASP A 49 -0.628 22.402 -15.520 1.00 0.00 O ATOM 745 OD2 ASP A 49 -2.404 23.616 -15.071 1.00 0.00 O ATOM 0 H ASP A 49 -3.938 19.731 -14.020 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.133 20.125 -14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.027 21.911 -13.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.351 21.892 -12.870 1.00 0.00 H new ATOM 750 N ILE A 50 -2.458 18.614 -12.400 1.00 0.00 N ATOM 751 CA ILE A 50 -2.207 17.759 -11.246 1.00 0.00 C ATOM 752 C ILE A 50 -1.581 16.434 -11.670 1.00 0.00 C ATOM 753 O ILE A 50 -1.984 15.834 -12.667 1.00 0.00 O ATOM 754 CB ILE A 50 -3.502 17.475 -10.463 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.118 18.782 -9.961 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.223 16.534 -9.301 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.581 18.661 -9.599 1.00 0.00 C ATOM 0 H ILE A 50 -3.409 18.563 -12.764 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.513 18.296 -10.600 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.215 16.993 -11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.563 19.124 -9.087 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.004 19.546 -10.730 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.148 16.343 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.825 15.593 -9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.495 16.990 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.951 19.626 -9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.148 18.350 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.700 17.920 -8.808 1.00 0.00 H new ATOM 769 N THR A 51 -0.593 15.981 -10.904 1.00 0.00 N ATOM 770 CA THR A 51 0.089 14.727 -11.198 1.00 0.00 C ATOM 771 C THR A 51 0.405 13.960 -9.919 1.00 0.00 C ATOM 772 O THR A 51 1.225 14.395 -9.110 1.00 0.00 O ATOM 773 CB THR A 51 1.396 14.968 -11.976 1.00 0.00 C ATOM 774 OG1 THR A 51 1.107 15.217 -13.356 1.00 0.00 O ATOM 775 CG2 THR A 51 2.326 13.769 -11.856 1.00 0.00 C ATOM 0 H THR A 51 -0.247 16.464 -10.075 1.00 0.00 H new ATOM 0 HA THR A 51 -0.588 14.136 -11.814 1.00 0.00 H new ATOM 0 HB THR A 51 1.893 15.838 -11.547 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.944 15.371 -13.843 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.243 13.962 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.568 13.600 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.834 12.885 -12.262 1.00 0.00 H new ATOM 783 N CYS A 52 -0.248 12.817 -9.744 1.00 0.00 N ATOM 784 CA CYS A 52 -0.036 11.988 -8.562 1.00 0.00 C ATOM 785 C CYS A 52 0.358 10.569 -8.957 1.00 0.00 C ATOM 786 O CYS A 52 0.395 10.229 -10.140 1.00 0.00 O ATOM 787 CB CYS A 52 -1.299 11.959 -7.701 1.00 0.00 C ATOM 788 SG CYS A 52 -1.746 13.561 -6.991 1.00 0.00 S ATOM 0 H CYS A 52 -0.929 12.443 -10.405 1.00 0.00 H new ATOM 0 HA CYS A 52 0.779 12.424 -7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.130 11.597 -8.306 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.158 11.242 -6.892 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.550 13.536 -5.706 1.00 0.00 H new ATOM 794 N THR A 53 0.653 9.742 -7.959 1.00 0.00 N ATOM 795 CA THR A 53 1.047 8.360 -8.201 1.00 0.00 C ATOM 796 C THR A 53 0.680 7.469 -7.020 1.00 0.00 C ATOM 797 O THR A 53 0.793 7.875 -5.864 1.00 0.00 O ATOM 798 CB THR A 53 2.560 8.246 -8.465 1.00 0.00 C ATOM 799 OG1 THR A 53 3.292 8.613 -7.290 1.00 0.00 O ATOM 800 CG2 THR A 53 2.976 9.136 -9.626 1.00 0.00 C ATOM 0 H THR A 53 0.626 10.006 -6.974 1.00 0.00 H new ATOM 0 HA THR A 53 0.505 8.027 -9.086 1.00 0.00 H new ATOM 0 HB THR A 53 2.784 7.211 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.253 8.536 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.049 9.038 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.440 8.835 -10.526 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.738 10.174 -9.392 1.00 0.00 H new ATOM 808 N GLY A 54 0.239 6.250 -7.319 1.00 0.00 N ATOM 809 CA GLY A 54 -0.137 5.320 -6.271 1.00 0.00 C ATOM 810 C GLY A 54 0.740 4.084 -6.250 1.00 0.00 C ATOM 811 O GLY A 54 0.581 3.188 -7.079 1.00 0.00 O ATOM 0 H GLY A 54 0.136 5.891 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.076 5.822 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.176 5.022 -6.410 1.00 0.00 H new ATOM 815 N GLU A 55 1.670 4.036 -5.301 1.00 0.00 N ATOM 816 CA GLU A 55 2.577 2.901 -5.178 1.00 0.00 C ATOM 817 C GLU A 55 2.274 2.096 -3.917 1.00 0.00 C ATOM 818 O GLU A 55 1.908 2.655 -2.884 1.00 0.00 O ATOM 819 CB GLU A 55 4.029 3.381 -5.153 1.00 0.00 C ATOM 820 CG GLU A 55 5.018 2.307 -4.732 1.00 0.00 C ATOM 821 CD GLU A 55 5.180 2.221 -3.227 1.00 0.00 C ATOM 822 OE1 GLU A 55 5.272 3.284 -2.577 1.00 0.00 O ATOM 823 OE2 GLU A 55 5.213 1.090 -2.698 1.00 0.00 O ATOM 0 H GLU A 55 1.815 4.769 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 55 2.430 2.256 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.300 3.744 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.112 4.227 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.685 1.342 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.987 2.512 -5.187 1.00 0.00 H new ATOM 830 N GLY A 56 2.429 0.779 -4.011 1.00 0.00 N ATOM 831 CA GLY A 56 2.168 -0.082 -2.873 1.00 0.00 C ATOM 832 C GLY A 56 1.563 -1.411 -3.278 1.00 0.00 C ATOM 833 O GLY A 56 1.973 -2.465 -2.789 1.00 0.00 O ATOM 0 H GLY A 56 2.731 0.293 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.099 -0.259 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.493 0.426 -2.184 1.00 0.00 H new ATOM 837 N THR A 57 0.582 -1.365 -4.174 1.00 0.00 N ATOM 838 CA THR A 57 -0.084 -2.574 -4.642 1.00 0.00 C ATOM 839 C THR A 57 -0.246 -2.560 -6.158 1.00 0.00 C ATOM 840 O THR A 57 0.192 -1.627 -6.830 1.00 0.00 O ATOM 841 CB THR A 57 -1.469 -2.741 -3.990 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.477 -2.132 -2.694 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.835 -4.213 -3.867 1.00 0.00 C ATOM 0 H THR A 57 0.231 -0.503 -4.590 1.00 0.00 H new ATOM 0 HA THR A 57 0.548 -3.415 -4.354 1.00 0.00 H new ATOM 0 HB THR A 57 -2.207 -2.251 -4.625 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.685 -2.808 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.817 -4.306 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.857 -4.667 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.094 -4.722 -3.251 1.00 0.00 H new ATOM 851 N SER A 58 -0.881 -3.599 -6.690 1.00 0.00 N ATOM 852 CA SER A 58 -1.099 -3.708 -8.128 1.00 0.00 C ATOM 853 C SER A 58 -2.375 -2.981 -8.540 1.00 0.00 C ATOM 854 O SER A 58 -3.052 -2.371 -7.712 1.00 0.00 O ATOM 855 CB SER A 58 -1.178 -5.178 -8.544 1.00 0.00 C ATOM 856 OG SER A 58 -2.043 -5.904 -7.687 1.00 0.00 O ATOM 0 H SER A 58 -1.254 -4.378 -6.147 1.00 0.00 H new ATOM 0 HA SER A 58 -0.255 -3.240 -8.635 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.534 -5.250 -9.572 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.182 -5.620 -8.520 1.00 0.00 H new ATOM 0 HG SER A 58 -2.078 -6.840 -7.974 1.00 0.00 H new ATOM 862 N LYS A 59 -2.699 -3.051 -9.827 1.00 0.00 N ATOM 863 CA LYS A 59 -3.894 -2.402 -10.352 1.00 0.00 C ATOM 864 C LYS A 59 -5.037 -2.469 -9.344 1.00 0.00 C ATOM 865 O LYS A 59 -5.909 -1.600 -9.318 1.00 0.00 O ATOM 866 CB LYS A 59 -4.321 -3.059 -11.666 1.00 0.00 C ATOM 867 CG LYS A 59 -3.319 -2.872 -12.793 1.00 0.00 C ATOM 868 CD LYS A 59 -2.301 -3.999 -12.826 1.00 0.00 C ATOM 869 CE LYS A 59 -1.808 -4.264 -14.240 1.00 0.00 C ATOM 870 NZ LYS A 59 -2.900 -4.757 -15.125 1.00 0.00 N ATOM 0 H LYS A 59 -2.150 -3.551 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.656 -1.354 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.471 -4.125 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.282 -2.647 -11.973 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.846 -2.828 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.804 -1.919 -12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.456 -3.746 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.748 -4.906 -12.419 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.389 -3.348 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.003 -4.999 -14.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.493 -5.325 -15.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.557 -5.344 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.414 -3.947 -15.527 1.00 0.00 H new ATOM 884 N LYS A 60 -5.027 -3.506 -8.513 1.00 0.00 N ATOM 885 CA LYS A 60 -6.061 -3.686 -7.500 1.00 0.00 C ATOM 886 C LYS A 60 -6.223 -2.424 -6.658 1.00 0.00 C ATOM 887 O LYS A 60 -7.217 -1.707 -6.780 1.00 0.00 O ATOM 888 CB LYS A 60 -5.718 -4.874 -6.598 1.00 0.00 C ATOM 889 CG LYS A 60 -6.050 -6.221 -7.215 1.00 0.00 C ATOM 890 CD LYS A 60 -7.520 -6.566 -7.046 1.00 0.00 C ATOM 891 CE LYS A 60 -7.886 -7.833 -7.803 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.359 -9.053 -7.131 1.00 0.00 N ATOM 0 H LYS A 60 -4.314 -4.235 -8.521 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.004 -3.885 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.654 -4.844 -6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.257 -4.772 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.798 -6.208 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.438 -6.995 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.745 -6.696 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.132 -5.738 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.970 -7.905 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.490 -7.777 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.630 -9.895 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.322 -8.997 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.757 -9.120 -6.172 1.00 0.00 H new ATOM 906 N LEU A 61 -5.240 -2.158 -5.804 1.00 0.00 N ATOM 907 CA LEU A 61 -5.273 -0.982 -4.943 1.00 0.00 C ATOM 908 C LEU A 61 -4.532 0.186 -5.586 1.00 0.00 C ATOM 909 O LEU A 61 -5.070 1.286 -5.705 1.00 0.00 O ATOM 910 CB LEU A 61 -4.654 -1.305 -3.581 1.00 0.00 C ATOM 911 CG LEU A 61 -3.949 -0.148 -2.873 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.758 1.133 -3.007 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.716 -0.483 -1.407 1.00 0.00 C ATOM 0 H LEU A 61 -4.411 -2.741 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.315 -0.694 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.441 -1.680 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.937 -2.115 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.980 0.007 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.240 1.945 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.873 1.382 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.741 0.991 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.213 0.352 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.673 -0.666 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.094 -1.375 -1.332 1.00 0.00 H new ATOM 925 N ALA A 62 -3.294 -0.063 -6.002 1.00 0.00 N ATOM 926 CA ALA A 62 -2.481 0.966 -6.638 1.00 0.00 C ATOM 927 C ALA A 62 -3.345 1.926 -7.449 1.00 0.00 C ATOM 928 O ALA A 62 -3.273 3.142 -7.275 1.00 0.00 O ATOM 929 CB ALA A 62 -1.422 0.328 -7.525 1.00 0.00 C ATOM 0 H ALA A 62 -2.833 -0.968 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.986 1.539 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.822 1.108 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.778 -0.311 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.906 -0.270 -8.297 1.00 0.00 H new ATOM 935 N LYS A 63 -4.163 1.371 -8.338 1.00 0.00 N ATOM 936 CA LYS A 63 -5.042 2.177 -9.177 1.00 0.00 C ATOM 937 C LYS A 63 -5.957 3.050 -8.324 1.00 0.00 C ATOM 938 O LYS A 63 -6.030 4.264 -8.517 1.00 0.00 O ATOM 939 CB LYS A 63 -5.880 1.276 -10.086 1.00 0.00 C ATOM 940 CG LYS A 63 -6.263 1.928 -11.403 1.00 0.00 C ATOM 941 CD LYS A 63 -5.222 1.666 -12.478 1.00 0.00 C ATOM 942 CE LYS A 63 -5.662 2.216 -13.826 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.723 1.377 -14.449 1.00 0.00 N ATOM 0 H LYS A 63 -4.235 0.366 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.421 2.827 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.323 0.362 -10.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.787 0.984 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.230 1.547 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.376 3.002 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.276 2.123 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.046 0.594 -12.561 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.031 3.234 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.803 2.270 -14.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.947 1.747 -15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.387 0.396 -14.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.577 1.401 -13.857 1.00 0.00 H new ATOM 957 N HIS A 64 -6.654 2.424 -7.380 1.00 0.00 N ATOM 958 CA HIS A 64 -7.563 3.145 -6.497 1.00 0.00 C ATOM 959 C HIS A 64 -6.875 4.361 -5.884 1.00 0.00 C ATOM 960 O HIS A 64 -7.471 5.433 -5.773 1.00 0.00 O ATOM 961 CB HIS A 64 -8.071 2.221 -5.389 1.00 0.00 C ATOM 962 CG HIS A 64 -9.457 2.549 -4.925 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.887 3.299 -3.883 1.00 0.00 N flip ATOM 964 CD2 HIS A 64 -10.592 2.085 -5.555 1.00 0.00 C flip ATOM 965 CE1 HIS A 64 -11.260 3.275 -3.904 1.00 0.00 C flip ATOM 966 NE2 HIS A 64 -11.660 2.537 -4.923 1.00 0.00 N flip ATOM 0 H HIS A 64 -6.606 1.420 -7.208 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.410 3.489 -7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.051 1.192 -5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.390 2.276 -4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.606 1.451 -6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.907 3.778 -3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -12.629 2.348 -5.179 1.00 0.00 H new ATOM 974 N ARG A 65 -5.618 4.188 -5.488 1.00 0.00 N ATOM 975 CA ARG A 65 -4.851 5.271 -4.886 1.00 0.00 C ATOM 976 C ARG A 65 -4.563 6.367 -5.907 1.00 0.00 C ATOM 977 O ARG A 65 -4.780 7.549 -5.641 1.00 0.00 O ATOM 978 CB ARG A 65 -3.537 4.736 -4.313 1.00 0.00 C ATOM 979 CG ARG A 65 -3.656 4.234 -2.883 1.00 0.00 C ATOM 980 CD ARG A 65 -2.471 3.361 -2.499 1.00 0.00 C ATOM 981 NE ARG A 65 -1.389 4.139 -1.902 1.00 0.00 N ATOM 982 CZ ARG A 65 -0.391 3.601 -1.210 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.338 2.288 -1.029 1.00 0.00 N ATOM 984 NH2 ARG A 65 0.557 4.375 -0.698 1.00 0.00 N ATOM 0 H ARG A 65 -5.110 3.308 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.446 5.698 -4.078 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.178 3.924 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.786 5.525 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.720 5.083 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.579 3.666 -2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.798 2.595 -1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.100 2.844 -3.384 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.400 5.152 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.065 1.689 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.429 1.877 -0.497 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.520 5.385 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.323 3.960 -0.167 1.00 0.00 H new ATOM 998 N ALA A 66 -4.074 5.966 -7.076 1.00 0.00 N ATOM 999 CA ALA A 66 -3.758 6.914 -8.137 1.00 0.00 C ATOM 1000 C ALA A 66 -4.930 7.854 -8.400 1.00 0.00 C ATOM 1001 O ALA A 66 -4.772 9.075 -8.397 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.378 6.174 -9.411 1.00 0.00 C ATOM 0 H ALA A 66 -3.888 4.991 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.909 7.515 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.145 6.895 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.506 5.548 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.211 5.548 -9.730 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.106 7.278 -8.628 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.304 8.065 -8.892 1.00 0.00 C ATOM 1010 C ALA A 67 -7.744 8.828 -7.647 1.00 0.00 C ATOM 1011 O ALA A 67 -8.160 9.983 -7.732 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.427 7.165 -9.386 1.00 0.00 C ATOM 0 H ALA A 67 -6.254 6.269 -8.635 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.068 8.793 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.316 7.765 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.117 6.668 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.653 6.416 -8.627 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.650 8.174 -6.493 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.041 8.792 -5.232 1.00 0.00 C ATOM 1020 C GLU A 68 -7.306 10.114 -5.023 1.00 0.00 C ATOM 1021 O GLU A 68 -7.923 11.143 -4.749 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.753 7.846 -4.064 1.00 0.00 C ATOM 1023 CG GLU A 68 -8.914 6.926 -3.727 1.00 0.00 C ATOM 1024 CD GLU A 68 -8.605 5.999 -2.567 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -7.446 5.546 -2.461 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -9.524 5.726 -1.765 1.00 0.00 O ATOM 0 H GLU A 68 -7.307 7.217 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.112 8.993 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.879 7.241 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.500 8.436 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.790 7.527 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.169 6.332 -4.605 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.984 10.076 -5.154 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.165 11.269 -4.981 1.00 0.00 C ATOM 1035 C ALA A 69 -5.745 12.449 -5.753 1.00 0.00 C ATOM 1036 O ALA A 69 -6.272 13.391 -5.162 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.735 10.997 -5.425 1.00 0.00 C ATOM 0 H ALA A 69 -5.458 9.232 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.162 11.527 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.135 11.897 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.316 10.188 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.729 10.711 -6.477 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.643 12.392 -7.077 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.159 13.456 -7.930 1.00 0.00 C ATOM 1045 C ALA A 70 -7.426 14.066 -7.341 1.00 0.00 C ATOM 1046 O ALA A 70 -7.435 15.228 -6.933 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.427 12.926 -9.331 1.00 0.00 C ATOM 0 H ALA A 70 -5.208 11.620 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.404 14.240 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.812 13.731 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.500 12.545 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.161 12.122 -9.282 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.494 13.276 -7.300 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.766 13.739 -6.761 1.00 0.00 C ATOM 1055 C ILE A 71 -9.553 14.661 -5.565 1.00 0.00 C ATOM 1056 O ILE A 71 -9.799 15.864 -5.645 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.659 12.559 -6.332 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.901 11.619 -7.514 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.979 13.069 -5.775 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.760 10.422 -7.169 1.00 0.00 C ATOM 0 H ILE A 71 -8.503 12.312 -7.634 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.264 14.290 -7.558 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.147 12.002 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.377 12.177 -8.320 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.940 11.270 -7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.599 12.224 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.788 13.703 -4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.498 13.647 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.890 9.800 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.276 9.841 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.735 10.762 -6.819 1.00 0.00 H new ATOM 1072 N ASN A 72 -9.092 14.089 -4.458 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.844 14.860 -3.245 1.00 0.00 C ATOM 1074 C ASN A 72 -8.270 16.233 -3.581 1.00 0.00 C ATOM 1075 O ASN A 72 -8.584 17.226 -2.924 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.884 14.105 -2.323 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.611 13.197 -1.351 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -9.076 13.639 -0.300 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.712 11.919 -1.697 1.00 0.00 N ATOM 0 H ASN A 72 -8.882 13.094 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.796 14.999 -2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.197 13.511 -2.926 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.281 14.822 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.190 11.260 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.312 11.596 -2.578 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.429 16.281 -4.609 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.813 17.532 -5.033 1.00 0.00 C ATOM 1088 C ILE A 73 -7.769 18.351 -5.894 1.00 0.00 C ATOM 1089 O ILE A 73 -7.805 19.579 -5.804 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.516 17.281 -5.824 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.456 16.647 -4.920 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.000 18.581 -6.422 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.492 15.746 -5.659 1.00 0.00 C ATOM 0 H ILE A 73 -7.159 15.468 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.575 18.089 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.733 16.590 -6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.894 17.438 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.953 16.071 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.083 18.387 -6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.751 18.996 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.796 19.293 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.769 15.332 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.043 14.934 -6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.967 16.322 -6.421 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.543 17.664 -6.727 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.502 18.328 -7.603 1.00 0.00 C ATOM 1107 C LEU A 74 -10.533 19.106 -6.793 1.00 0.00 C ATOM 1108 O LEU A 74 -11.098 20.091 -7.267 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.205 17.301 -8.493 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.530 16.999 -9.832 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.057 16.681 -9.628 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.234 15.848 -10.536 1.00 0.00 C ATOM 0 H LEU A 74 -8.525 16.648 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.956 19.032 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.295 16.368 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.217 17.654 -8.691 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.605 17.885 -10.463 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.594 16.469 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.561 17.535 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.959 15.811 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.741 15.647 -11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.191 14.957 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.275 16.114 -10.717 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.774 18.657 -5.565 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.734 19.312 -4.685 1.00 0.00 C ATOM 1126 C LYS A 75 -11.141 20.579 -4.079 1.00 0.00 C ATOM 1127 O LYS A 75 -11.640 21.681 -4.306 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.171 18.357 -3.572 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.583 16.984 -4.075 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.416 15.924 -2.999 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.589 15.923 -2.031 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.441 14.877 -0.981 1.00 0.00 N ATOM 0 H LYS A 75 -10.317 17.841 -5.157 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.604 19.589 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.353 18.244 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.006 18.802 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.623 17.012 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.982 16.719 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.326 14.942 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.491 16.103 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.671 16.902 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.514 15.756 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.260 14.909 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.388 13.940 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.571 15.051 -0.438 1.00 0.00 H new ATOM 1146 N ALA A 76 -10.071 20.416 -3.307 1.00 0.00 N ATOM 1147 CA ALA A 76 -9.407 21.547 -2.671 1.00 0.00 C ATOM 1148 C ALA A 76 -8.755 22.454 -3.708 1.00 0.00 C ATOM 1149 O ALA A 76 -9.091 23.633 -3.814 1.00 0.00 O ATOM 1150 CB ALA A 76 -8.372 21.057 -1.669 1.00 0.00 C ATOM 0 H ALA A 76 -9.646 19.511 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 76 -10.161 22.129 -2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.884 21.913 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.863 20.456 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.626 20.450 -2.183 1.00 0.00 H new ATOM 1156 N ASN A 77 -7.820 21.897 -4.470 1.00 0.00 N ATOM 1157 CA ASN A 77 -7.119 22.657 -5.499 1.00 0.00 C ATOM 1158 C ASN A 77 -8.106 23.311 -6.460 1.00 0.00 C ATOM 1159 O ASN A 77 -7.964 24.483 -6.810 1.00 0.00 O ATOM 1160 CB ASN A 77 -6.163 21.747 -6.273 1.00 0.00 C ATOM 1161 CG ASN A 77 -4.980 22.504 -6.846 1.00 0.00 C ATOM 1162 OD1 ASN A 77 -3.859 22.394 -6.349 1.00 0.00 O ATOM 1163 ND2 ASN A 77 -5.226 23.279 -7.896 1.00 0.00 N ATOM 0 H ASN A 77 -7.530 20.922 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.544 23.442 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.801 20.959 -5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.706 21.260 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.470 23.814 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.171 23.340 -8.275 1.00 0.00 H new ATOM 1170 N ALA A 78 -9.108 22.546 -6.882 1.00 0.00 N ATOM 1171 CA ALA A 78 -10.121 23.052 -7.800 1.00 0.00 C ATOM 1172 C ALA A 78 -9.492 23.521 -9.107 1.00 0.00 C ATOM 1173 O ALA A 78 -9.711 24.652 -9.542 1.00 0.00 O ATOM 1174 CB ALA A 78 -10.903 24.185 -7.152 1.00 0.00 C ATOM 0 H ALA A 78 -9.240 21.574 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.807 22.237 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.656 24.553 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.392 23.820 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.222 24.995 -6.893 1.00 0.00 H new ATOM 1180 N SER A 79 -8.708 22.646 -9.729 1.00 0.00 N ATOM 1181 CA SER A 79 -8.043 22.973 -10.985 1.00 0.00 C ATOM 1182 C SER A 79 -8.917 23.885 -11.841 1.00 0.00 C ATOM 1183 O SER A 79 -10.131 23.704 -11.922 1.00 0.00 O ATOM 1184 CB SER A 79 -7.709 21.696 -11.758 1.00 0.00 C ATOM 1185 OG SER A 79 -6.504 21.117 -11.290 1.00 0.00 O ATOM 0 H SER A 79 -8.518 21.705 -9.384 1.00 0.00 H new ATOM 0 HA SER A 79 -7.118 23.500 -10.751 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.524 20.980 -11.654 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.618 21.923 -12.820 1.00 0.00 H new ATOM 0 HG SER A 79 -6.314 20.301 -11.799 1.00 0.00 H new ATOM 1191 N GLY A 80 -8.288 24.868 -12.479 1.00 0.00 N ATOM 1192 CA GLY A 80 -9.023 25.795 -13.321 1.00 0.00 C ATOM 1193 C GLY A 80 -8.223 27.041 -13.647 1.00 0.00 C ATOM 1194 O GLY A 80 -6.994 27.050 -13.579 1.00 0.00 O ATOM 0 H GLY A 80 -7.284 25.039 -12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.304 25.295 -14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.948 26.081 -12.820 1.00 0.00 H new ATOM 1198 N PRO A 81 -8.927 28.122 -14.011 1.00 0.00 N ATOM 1199 CA PRO A 81 -8.295 29.399 -14.357 1.00 0.00 C ATOM 1200 C PRO A 81 -7.679 30.088 -13.145 1.00 0.00 C ATOM 1201 O PRO A 81 -8.178 29.962 -12.027 1.00 0.00 O ATOM 1202 CB PRO A 81 -9.455 30.230 -14.912 1.00 0.00 C ATOM 1203 CG PRO A 81 -10.673 29.651 -14.279 1.00 0.00 C ATOM 1204 CD PRO A 81 -10.395 28.183 -14.113 1.00 0.00 C ATOM 0 HA PRO A 81 -7.471 29.269 -15.059 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.342 31.285 -14.661 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.504 30.164 -15.999 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.874 30.121 -13.316 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.552 29.814 -14.903 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.877 27.781 -13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.763 27.606 -14.961 1.00 0.00 H new ATOM 1212 N SER A 82 -6.592 30.817 -13.374 1.00 0.00 N ATOM 1213 CA SER A 82 -5.905 31.524 -12.299 1.00 0.00 C ATOM 1214 C SER A 82 -5.859 33.024 -12.577 1.00 0.00 C ATOM 1215 O SER A 82 -5.073 33.489 -13.403 1.00 0.00 O ATOM 1216 CB SER A 82 -4.485 30.982 -12.129 1.00 0.00 C ATOM 1217 OG SER A 82 -3.781 31.698 -11.129 1.00 0.00 O ATOM 0 H SER A 82 -6.168 30.934 -14.294 1.00 0.00 H new ATOM 0 HA SER A 82 -6.462 31.360 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.525 29.926 -11.864 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.950 31.053 -13.076 1.00 0.00 H new ATOM 0 HG SER A 82 -2.877 31.331 -11.039 1.00 0.00 H new ATOM 1223 N SER A 83 -6.707 33.775 -11.882 1.00 0.00 N ATOM 1224 CA SER A 83 -6.767 35.221 -12.055 1.00 0.00 C ATOM 1225 C SER A 83 -6.537 35.938 -10.728 1.00 0.00 C ATOM 1226 O SER A 83 -6.438 35.306 -9.677 1.00 0.00 O ATOM 1227 CB SER A 83 -8.120 35.630 -12.641 1.00 0.00 C ATOM 1228 OG SER A 83 -9.186 35.192 -11.817 1.00 0.00 O ATOM 0 H SER A 83 -7.362 33.405 -11.193 1.00 0.00 H new ATOM 0 HA SER A 83 -5.976 35.512 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.161 36.714 -12.748 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.230 35.207 -13.639 1.00 0.00 H new ATOM 0 HG SER A 83 -10.039 35.467 -12.212 1.00 0.00 H new ATOM 1234 N GLY A 84 -6.452 37.264 -10.786 1.00 0.00 N ATOM 1235 CA GLY A 84 -6.234 38.046 -9.583 1.00 0.00 C ATOM 1236 C GLY A 84 -7.351 37.879 -8.573 1.00 0.00 C ATOM 1237 O GLY A 84 -7.255 38.363 -7.445 1.00 0.00 O ATOM 0 H GLY A 84 -6.530 37.810 -11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.289 37.750 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.144 39.099 -9.849 1.00 0.00 H new TER 1241 GLY A 84