USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 688 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 12 ASN : amide:sc= -0.759! C(o=-1.1!,f=-10!) USER MOD Set 1.2: A 88 ASN : amide:sc= -0.295 K(o=-1.1,f=-7.4!) USER MOD Set 2.1: A 49 GLN : amide:sc= -1.65! K(o=-3.4!,f=-4.9) USER MOD Set 2.2: A 80 HIS : no HE2:sc= -1.78 K(o=-3.4,f=-4.9!) USER MOD Set 3.1: A 45 SER OG : rot -128:sc= 0.00896 USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0327) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 14 THR OG1 : rot 42:sc= -0.0561 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.832 USER MOD Single : A 26 MET CE :methyl -169:sc= -0.0234 (180deg=-0.169) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 29 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= -1.98! (180deg=-3.95!) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.08) USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.817) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00275 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 46 MET CE :methyl -159:sc= -0.161 (180deg=-0.864) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -34:sc= 0.718 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.071 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.381 4.744 -4.675 1.00 0.00 N ATOM 2 CA MET A 1 -19.390 4.116 -5.549 1.00 0.00 C ATOM 3 C MET A 1 -18.788 2.912 -4.859 1.00 0.00 C ATOM 4 O MET A 1 -18.008 3.057 -3.905 1.00 0.00 O ATOM 5 CB MET A 1 -18.268 5.101 -5.908 1.00 0.00 C ATOM 6 CG MET A 1 -18.720 6.343 -6.655 1.00 0.00 C ATOM 7 SD MET A 1 -19.517 5.978 -8.220 1.00 0.00 S ATOM 8 CE MET A 1 -19.906 7.633 -8.787 1.00 0.00 C ATOM 0 H1 MET A 1 -20.840 5.529 -5.179 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.098 4.042 -4.402 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.910 5.108 -3.822 1.00 0.00 H new ATOM 0 HA MET A 1 -19.894 3.809 -6.465 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.768 5.409 -4.990 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.528 4.580 -6.515 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.410 6.906 -6.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.857 6.984 -6.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.408 7.578 -9.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.561 8.120 -8.065 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.986 8.209 -8.888 1.00 0.00 H new ATOM 18 N THR A 2 -19.142 1.730 -5.298 1.00 0.00 N ATOM 19 CA THR A 2 -18.587 0.555 -4.703 1.00 0.00 C ATOM 20 C THR A 2 -17.372 0.077 -5.503 1.00 0.00 C ATOM 21 O THR A 2 -17.478 -0.366 -6.653 1.00 0.00 O ATOM 22 CB THR A 2 -19.649 -0.586 -4.495 1.00 0.00 C ATOM 23 OG1 THR A 2 -19.041 -1.746 -3.902 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.335 -0.982 -5.795 1.00 0.00 C ATOM 0 H THR A 2 -19.804 1.563 -6.056 1.00 0.00 H new ATOM 0 HA THR A 2 -18.251 0.823 -3.701 1.00 0.00 H new ATOM 0 HB THR A 2 -20.408 -0.186 -3.823 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.718 -2.444 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 2 -21.059 -1.773 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.848 -0.116 -6.214 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.590 -1.341 -6.505 1.00 0.00 H new ATOM 32 N GLU A 3 -16.226 0.190 -4.884 1.00 0.00 N ATOM 33 CA GLU A 3 -14.970 -0.202 -5.466 1.00 0.00 C ATOM 34 C GLU A 3 -14.148 -0.874 -4.438 1.00 0.00 C ATOM 35 O GLU A 3 -14.025 -0.387 -3.314 1.00 0.00 O ATOM 36 CB GLU A 3 -14.209 0.991 -6.011 1.00 0.00 C ATOM 37 CG GLU A 3 -14.817 1.604 -7.222 1.00 0.00 C ATOM 38 CD GLU A 3 -14.093 2.846 -7.674 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.101 2.730 -8.414 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.521 3.965 -7.295 1.00 0.00 O ATOM 0 H GLU A 3 -16.139 0.566 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.177 -0.879 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.138 1.749 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.191 0.681 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.818 0.874 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.858 1.851 -7.015 1.00 0.00 H new ATOM 47 N VAL A 4 -13.592 -1.967 -4.804 1.00 0.00 N ATOM 48 CA VAL A 4 -12.783 -2.765 -3.922 1.00 0.00 C ATOM 49 C VAL A 4 -11.584 -3.314 -4.654 1.00 0.00 C ATOM 50 O VAL A 4 -11.640 -3.581 -5.853 1.00 0.00 O ATOM 51 CB VAL A 4 -13.590 -3.948 -3.290 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.602 -3.445 -2.273 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.311 -4.735 -4.376 1.00 0.00 C ATOM 0 H VAL A 4 -13.680 -2.353 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.455 -2.109 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.879 -4.598 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.146 -4.291 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.083 -2.914 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.304 -2.769 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.868 -5.555 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.000 -4.077 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.581 -5.137 -5.079 1.00 0.00 H new ATOM 63 N TYR A 5 -10.511 -3.430 -3.949 1.00 0.00 N ATOM 64 CA TYR A 5 -9.305 -4.049 -4.459 1.00 0.00 C ATOM 65 C TYR A 5 -8.925 -5.155 -3.535 1.00 0.00 C ATOM 66 O TYR A 5 -9.090 -5.035 -2.314 1.00 0.00 O ATOM 67 CB TYR A 5 -8.121 -3.072 -4.531 1.00 0.00 C ATOM 68 CG TYR A 5 -8.289 -1.880 -5.432 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.535 -2.032 -6.790 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.187 -0.601 -4.926 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.674 -0.934 -7.612 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.322 0.498 -5.738 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.565 0.328 -7.077 1.00 0.00 C ATOM 74 OH TYR A 5 -8.702 1.431 -7.884 1.00 0.00 O ATOM 0 H TYR A 5 -10.431 -3.098 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.515 -4.400 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.914 -2.712 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.241 -3.626 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.619 -3.024 -7.208 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.998 -0.461 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.867 -1.064 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.237 1.492 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.308 1.221 -8.625 1.00 0.00 H new ATOM 84 N ASP A 6 -8.483 -6.231 -4.077 1.00 0.00 N ATOM 85 CA ASP A 6 -7.950 -7.283 -3.272 1.00 0.00 C ATOM 86 C ASP A 6 -6.465 -7.140 -3.204 1.00 0.00 C ATOM 87 O ASP A 6 -5.767 -7.189 -4.214 1.00 0.00 O ATOM 88 CB ASP A 6 -8.382 -8.676 -3.735 1.00 0.00 C ATOM 89 CG ASP A 6 -8.071 -8.974 -5.182 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.874 -8.576 -6.059 1.00 0.00 O ATOM 91 OD2 ASP A 6 -7.053 -9.630 -5.465 1.00 0.00 O ATOM 0 H ASP A 6 -8.477 -6.412 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.364 -7.188 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.892 -9.422 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.455 -8.782 -3.577 1.00 0.00 H new ATOM 96 N LEU A 7 -5.996 -6.902 -2.030 1.00 0.00 N ATOM 97 CA LEU A 7 -4.612 -6.696 -1.795 1.00 0.00 C ATOM 98 C LEU A 7 -4.062 -7.874 -1.067 1.00 0.00 C ATOM 99 O LEU A 7 -4.740 -8.465 -0.242 1.00 0.00 O ATOM 100 CB LEU A 7 -4.355 -5.431 -0.944 1.00 0.00 C ATOM 101 CG LEU A 7 -4.701 -4.045 -1.538 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.184 -3.846 -1.709 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.132 -2.950 -0.673 1.00 0.00 C ATOM 0 H LEU A 7 -6.574 -6.844 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.125 -6.566 -2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.915 -5.540 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.298 -5.421 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.251 -4.001 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.372 -2.858 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.578 -4.608 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.676 -3.928 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.383 -1.980 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.553 -3.023 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.048 -3.054 -0.620 1.00 0.00 H new ATOM 115 N GLU A 8 -2.867 -8.223 -1.356 1.00 0.00 N ATOM 116 CA GLU A 8 -2.245 -9.277 -0.649 1.00 0.00 C ATOM 117 C GLU A 8 -1.164 -8.675 0.200 1.00 0.00 C ATOM 118 O GLU A 8 -0.232 -8.067 -0.293 1.00 0.00 O ATOM 119 CB GLU A 8 -1.753 -10.371 -1.591 1.00 0.00 C ATOM 120 CG GLU A 8 -1.124 -11.559 -0.895 1.00 0.00 C ATOM 121 CD GLU A 8 -0.802 -12.677 -1.850 1.00 0.00 C ATOM 122 OE1 GLU A 8 0.058 -12.496 -2.716 1.00 0.00 O ATOM 123 OE2 GLU A 8 -1.404 -13.759 -1.745 1.00 0.00 O ATOM 0 H GLU A 8 -2.295 -7.792 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.957 -9.784 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.592 -10.720 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.025 -9.941 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.211 -11.241 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.802 -11.926 -0.125 1.00 0.00 H new ATOM 130 N ILE A 9 -1.315 -8.818 1.468 1.00 0.00 N ATOM 131 CA ILE A 9 -0.467 -8.156 2.408 1.00 0.00 C ATOM 132 C ILE A 9 0.660 -9.066 2.818 1.00 0.00 C ATOM 133 O ILE A 9 0.447 -10.237 3.129 1.00 0.00 O ATOM 134 CB ILE A 9 -1.262 -7.747 3.683 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.531 -6.935 3.330 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.376 -6.968 4.660 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.274 -5.648 2.570 1.00 0.00 C ATOM 0 H ILE A 9 -2.036 -9.402 1.892 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.072 -7.261 1.927 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.583 -8.667 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.194 -7.564 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.060 -6.696 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.958 -6.696 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.468 -7.589 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.007 -6.064 4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.222 -5.149 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.639 -4.993 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.776 -5.875 1.628 1.00 0.00 H new ATOM 149 N THR A 10 1.838 -8.538 2.789 1.00 0.00 N ATOM 150 CA THR A 10 2.997 -9.233 3.224 1.00 0.00 C ATOM 151 C THR A 10 3.615 -8.365 4.323 1.00 0.00 C ATOM 152 O THR A 10 3.260 -7.191 4.471 1.00 0.00 O ATOM 153 CB THR A 10 4.001 -9.402 2.090 1.00 0.00 C ATOM 154 OG1 THR A 10 3.283 -9.605 0.868 1.00 0.00 O ATOM 155 CG2 THR A 10 4.853 -10.644 2.333 1.00 0.00 C ATOM 0 H THR A 10 2.023 -7.592 2.455 1.00 0.00 H new ATOM 0 HA THR A 10 2.737 -10.232 3.575 1.00 0.00 H new ATOM 0 HB THR A 10 4.633 -8.515 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.918 -9.713 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.569 -10.759 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.390 -10.538 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.210 -11.523 2.378 1.00 0.00 H new ATOM 163 N THR A 11 4.499 -8.898 5.067 1.00 0.00 N ATOM 164 CA THR A 11 5.039 -8.218 6.218 1.00 0.00 C ATOM 165 C THR A 11 6.417 -8.793 6.472 1.00 0.00 C ATOM 166 O THR A 11 6.810 -9.747 5.827 1.00 0.00 O ATOM 167 CB THR A 11 4.149 -8.429 7.478 1.00 0.00 C ATOM 168 OG1 THR A 11 2.762 -8.314 7.131 1.00 0.00 O ATOM 169 CG2 THR A 11 4.428 -7.375 8.549 1.00 0.00 C ATOM 0 H THR A 11 4.886 -9.828 4.910 1.00 0.00 H new ATOM 0 HA THR A 11 5.078 -7.146 6.024 1.00 0.00 H new ATOM 0 HB THR A 11 4.382 -9.422 7.862 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.212 -8.450 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.788 -7.555 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.473 -7.433 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.222 -6.383 8.146 1.00 0.00 H new ATOM 177 N ASN A 12 7.149 -8.191 7.330 1.00 0.00 N ATOM 178 CA ASN A 12 8.446 -8.690 7.720 1.00 0.00 C ATOM 179 C ASN A 12 8.274 -9.730 8.816 1.00 0.00 C ATOM 180 O ASN A 12 9.132 -10.570 9.027 1.00 0.00 O ATOM 181 CB ASN A 12 9.345 -7.549 8.207 1.00 0.00 C ATOM 182 CG ASN A 12 8.788 -6.780 9.412 1.00 0.00 C ATOM 183 OD1 ASN A 12 7.572 -6.670 9.591 1.00 0.00 O ATOM 184 ND2 ASN A 12 9.662 -6.229 10.218 1.00 0.00 N ATOM 0 H ASN A 12 6.877 -7.326 7.797 1.00 0.00 H new ATOM 0 HA ASN A 12 8.925 -9.148 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.321 -7.957 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.503 -6.850 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.344 -5.689 11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.660 -6.340 10.040 1.00 0.00 H new ATOM 191 N ALA A 13 7.151 -9.649 9.510 1.00 0.00 N ATOM 192 CA ALA A 13 6.822 -10.577 10.566 1.00 0.00 C ATOM 193 C ALA A 13 6.238 -11.866 10.000 1.00 0.00 C ATOM 194 O ALA A 13 6.419 -12.947 10.563 1.00 0.00 O ATOM 195 CB ALA A 13 5.850 -9.937 11.546 1.00 0.00 C ATOM 0 H ALA A 13 6.442 -8.933 9.352 1.00 0.00 H new ATOM 0 HA ALA A 13 7.740 -10.829 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.610 -10.647 12.337 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.306 -9.048 11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.937 -9.656 11.022 1.00 0.00 H new ATOM 201 N THR A 14 5.529 -11.755 8.901 1.00 0.00 N ATOM 202 CA THR A 14 4.943 -12.901 8.270 1.00 0.00 C ATOM 203 C THR A 14 5.515 -13.120 6.884 1.00 0.00 C ATOM 204 O THR A 14 5.542 -12.208 6.055 1.00 0.00 O ATOM 205 CB THR A 14 3.408 -12.780 8.188 1.00 0.00 C ATOM 206 OG1 THR A 14 3.053 -11.497 7.651 1.00 0.00 O ATOM 207 CG2 THR A 14 2.765 -12.968 9.549 1.00 0.00 C ATOM 0 H THR A 14 5.346 -10.871 8.426 1.00 0.00 H new ATOM 0 HA THR A 14 5.189 -13.763 8.890 1.00 0.00 H new ATOM 0 HB THR A 14 3.039 -13.568 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.648 -11.279 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.683 -12.877 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.014 -13.956 9.936 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.136 -12.206 10.235 1.00 0.00 H new ATOM 215 N ASP A 15 5.964 -14.316 6.639 1.00 0.00 N ATOM 216 CA ASP A 15 6.493 -14.678 5.345 1.00 0.00 C ATOM 217 C ASP A 15 5.357 -15.045 4.411 1.00 0.00 C ATOM 218 O ASP A 15 5.457 -14.890 3.201 1.00 0.00 O ATOM 219 CB ASP A 15 7.494 -15.827 5.472 1.00 0.00 C ATOM 220 CG ASP A 15 8.051 -16.276 4.138 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.848 -15.536 3.526 1.00 0.00 O ATOM 222 OD2 ASP A 15 7.702 -17.378 3.680 1.00 0.00 O ATOM 0 H ASP A 15 5.976 -15.071 7.325 1.00 0.00 H new ATOM 0 HA ASP A 15 7.024 -13.823 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.316 -15.516 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.009 -16.672 5.960 1.00 0.00 H new ATOM 227 N PHE A 16 4.271 -15.496 4.983 1.00 0.00 N ATOM 228 CA PHE A 16 3.114 -15.856 4.216 1.00 0.00 C ATOM 229 C PHE A 16 2.257 -14.619 3.943 1.00 0.00 C ATOM 230 O PHE A 16 1.774 -13.969 4.882 1.00 0.00 O ATOM 231 CB PHE A 16 2.301 -16.914 4.957 1.00 0.00 C ATOM 232 CG PHE A 16 1.076 -17.379 4.225 1.00 0.00 C ATOM 233 CD1 PHE A 16 1.190 -18.207 3.125 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.189 -16.993 4.643 1.00 0.00 C ATOM 235 CE1 PHE A 16 0.071 -18.645 2.455 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.312 -17.427 3.976 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.181 -18.255 2.880 1.00 0.00 C ATOM 0 H PHE A 16 4.167 -15.623 5.990 1.00 0.00 H new ATOM 0 HA PHE A 16 3.438 -16.271 3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.941 -17.774 5.154 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.001 -16.512 5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.169 -18.514 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.294 -16.345 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.173 -19.293 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.292 -17.120 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.060 -18.598 2.355 1.00 0.00 H new ATOM 247 N PRO A 17 2.091 -14.253 2.664 1.00 0.00 N ATOM 248 CA PRO A 17 1.243 -13.141 2.271 1.00 0.00 C ATOM 249 C PRO A 17 -0.238 -13.519 2.397 1.00 0.00 C ATOM 250 O PRO A 17 -0.631 -14.645 2.080 1.00 0.00 O ATOM 251 CB PRO A 17 1.611 -12.889 0.796 1.00 0.00 C ATOM 252 CG PRO A 17 2.775 -13.776 0.504 1.00 0.00 C ATOM 253 CD PRO A 17 2.720 -14.888 1.502 1.00 0.00 C ATOM 0 HA PRO A 17 1.391 -12.262 2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.771 -13.119 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.867 -11.842 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.722 -14.164 -0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.713 -13.226 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.134 -15.731 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.714 -15.269 1.738 1.00 0.00 H new ATOM 261 N MET A 18 -1.043 -12.598 2.852 1.00 0.00 N ATOM 262 CA MET A 18 -2.460 -12.855 3.074 1.00 0.00 C ATOM 263 C MET A 18 -3.289 -11.918 2.218 1.00 0.00 C ATOM 264 O MET A 18 -3.082 -10.707 2.259 1.00 0.00 O ATOM 265 CB MET A 18 -2.796 -12.631 4.557 1.00 0.00 C ATOM 266 CG MET A 18 -1.991 -13.502 5.510 1.00 0.00 C ATOM 267 SD MET A 18 -2.328 -13.148 7.246 1.00 0.00 S ATOM 268 CE MET A 18 -1.220 -14.321 8.031 1.00 0.00 C ATOM 0 H MET A 18 -0.748 -11.649 3.082 1.00 0.00 H new ATOM 0 HA MET A 18 -2.687 -13.886 2.802 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.624 -11.584 4.804 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.857 -12.825 4.712 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.212 -14.550 5.309 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.928 -13.357 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.305 -14.233 9.114 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.487 -15.333 7.727 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.194 -14.111 7.729 1.00 0.00 H new ATOM 278 N GLU A 19 -4.219 -12.454 1.452 1.00 0.00 N ATOM 279 CA GLU A 19 -5.043 -11.615 0.600 1.00 0.00 C ATOM 280 C GLU A 19 -6.258 -11.105 1.345 1.00 0.00 C ATOM 281 O GLU A 19 -6.993 -11.870 1.975 1.00 0.00 O ATOM 282 CB GLU A 19 -5.439 -12.281 -0.747 1.00 0.00 C ATOM 283 CG GLU A 19 -6.277 -13.561 -0.660 1.00 0.00 C ATOM 284 CD GLU A 19 -5.557 -14.708 -0.019 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.799 -15.399 -0.707 1.00 0.00 O ATOM 286 OE2 GLU A 19 -5.733 -14.938 1.187 1.00 0.00 O ATOM 0 H GLU A 19 -4.422 -13.452 1.401 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.419 -10.763 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.992 -11.551 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.525 -12.509 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.186 -13.352 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.585 -13.852 -1.664 1.00 0.00 H new ATOM 293 N LYS A 20 -6.460 -9.830 1.285 1.00 0.00 N ATOM 294 CA LYS A 20 -7.533 -9.206 1.963 1.00 0.00 C ATOM 295 C LYS A 20 -8.089 -8.095 1.097 1.00 0.00 C ATOM 296 O LYS A 20 -7.336 -7.323 0.500 1.00 0.00 O ATOM 297 CB LYS A 20 -7.034 -8.672 3.275 1.00 0.00 C ATOM 298 CG LYS A 20 -8.149 -8.285 4.193 1.00 0.00 C ATOM 299 CD LYS A 20 -7.638 -7.856 5.524 1.00 0.00 C ATOM 300 CE LYS A 20 -6.875 -8.970 6.248 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.359 -8.525 7.558 1.00 0.00 N ATOM 0 H LYS A 20 -5.872 -9.188 0.754 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.332 -9.921 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.414 -9.426 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.399 -7.805 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.725 -7.475 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.828 -9.128 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.982 -6.995 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.474 -7.532 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.533 -9.827 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.045 -9.305 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.849 -9.308 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.711 -7.723 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.153 -8.230 8.162 1.00 0.00 H new ATOM 315 N LYS A 21 -9.385 -8.021 1.009 1.00 0.00 N ATOM 316 CA LYS A 21 -10.015 -7.063 0.142 1.00 0.00 C ATOM 317 C LYS A 21 -10.364 -5.784 0.902 1.00 0.00 C ATOM 318 O LYS A 21 -10.914 -5.833 2.008 1.00 0.00 O ATOM 319 CB LYS A 21 -11.256 -7.695 -0.511 1.00 0.00 C ATOM 320 CG LYS A 21 -11.964 -6.802 -1.512 1.00 0.00 C ATOM 321 CD LYS A 21 -13.157 -7.501 -2.168 1.00 0.00 C ATOM 322 CE LYS A 21 -12.743 -8.749 -2.948 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.884 -9.327 -3.700 1.00 0.00 N ATOM 0 H LYS A 21 -10.031 -8.615 1.529 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.318 -6.782 -0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.958 -8.616 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.962 -7.972 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.306 -5.897 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.258 -6.492 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.879 -7.778 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.658 -6.805 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.941 -8.496 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.346 -9.494 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.567 -10.172 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.639 -9.591 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.247 -8.624 -4.375 1.00 0.00 H new ATOM 337 N TYR A 22 -10.021 -4.661 0.314 1.00 0.00 N ATOM 338 CA TYR A 22 -10.262 -3.355 0.896 1.00 0.00 C ATOM 339 C TYR A 22 -10.994 -2.476 -0.105 1.00 0.00 C ATOM 340 O TYR A 22 -10.891 -2.701 -1.314 1.00 0.00 O ATOM 341 CB TYR A 22 -8.936 -2.669 1.288 1.00 0.00 C ATOM 342 CG TYR A 22 -8.178 -3.304 2.435 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.433 -2.914 3.742 1.00 0.00 C ATOM 344 CD2 TYR A 22 -7.198 -4.261 2.216 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.735 -3.458 4.799 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.497 -4.815 3.268 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.769 -4.406 4.558 1.00 0.00 C ATOM 348 OH TYR A 22 -6.070 -4.947 5.611 1.00 0.00 O ATOM 0 H TYR A 22 -9.560 -4.626 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.867 -3.491 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.286 -2.652 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.149 -1.632 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.192 -2.171 3.935 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.980 -4.578 1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.946 -3.141 5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.741 -5.563 3.083 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.636 -4.953 6.411 1.00 0.00 H new ATOM 358 N PRO A 23 -11.754 -1.474 0.362 1.00 0.00 N ATOM 359 CA PRO A 23 -12.437 -0.540 -0.523 1.00 0.00 C ATOM 360 C PRO A 23 -11.457 0.412 -1.171 1.00 0.00 C ATOM 361 O PRO A 23 -10.516 0.882 -0.530 1.00 0.00 O ATOM 362 CB PRO A 23 -13.370 0.249 0.401 1.00 0.00 C ATOM 363 CG PRO A 23 -13.347 -0.474 1.702 1.00 0.00 C ATOM 364 CD PRO A 23 -12.028 -1.174 1.772 1.00 0.00 C ATOM 0 HA PRO A 23 -12.959 -1.058 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.029 1.278 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.380 0.293 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.463 0.220 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.169 -1.187 1.765 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.256 -0.542 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.080 -2.079 2.377 1.00 0.00 H new ATOM 372 N ALA A 24 -11.696 0.724 -2.427 1.00 0.00 N ATOM 373 CA ALA A 24 -10.822 1.588 -3.177 1.00 0.00 C ATOM 374 C ALA A 24 -10.871 3.005 -2.670 1.00 0.00 C ATOM 375 O ALA A 24 -9.880 3.730 -2.708 1.00 0.00 O ATOM 376 CB ALA A 24 -11.183 1.541 -4.636 1.00 0.00 C ATOM 0 H ALA A 24 -12.502 0.384 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.801 1.229 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.517 2.197 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.080 0.520 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.213 1.872 -4.767 1.00 0.00 H new ATOM 382 N GLY A 25 -12.015 3.365 -2.166 1.00 0.00 N ATOM 383 CA GLY A 25 -12.259 4.715 -1.726 1.00 0.00 C ATOM 384 C GLY A 25 -11.915 4.977 -0.273 1.00 0.00 C ATOM 385 O GLY A 25 -12.159 6.070 0.225 1.00 0.00 O ATOM 0 H GLY A 25 -12.808 2.734 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.682 5.397 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.311 4.950 -1.885 1.00 0.00 H new ATOM 389 N MET A 26 -11.357 4.004 0.417 1.00 0.00 N ATOM 390 CA MET A 26 -10.988 4.233 1.805 1.00 0.00 C ATOM 391 C MET A 26 -9.565 4.827 1.867 1.00 0.00 C ATOM 392 O MET A 26 -8.847 4.809 0.869 1.00 0.00 O ATOM 393 CB MET A 26 -11.100 2.930 2.628 1.00 0.00 C ATOM 394 CG MET A 26 -10.954 3.136 4.130 1.00 0.00 C ATOM 395 SD MET A 26 -12.191 4.300 4.749 1.00 0.00 S ATOM 396 CE MET A 26 -11.747 4.420 6.474 1.00 0.00 C ATOM 0 H MET A 26 -11.152 3.072 0.057 1.00 0.00 H new ATOM 0 HA MET A 26 -11.680 4.949 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 26 -12.066 2.466 2.427 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.334 2.231 2.291 1.00 0.00 H new ATOM 0 HG2 MET A 26 -11.060 2.180 4.643 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.955 3.509 4.354 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.534 4.944 7.017 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.625 3.419 6.889 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.811 4.970 6.571 1.00 0.00 H new ATOM 406 N SER A 27 -9.163 5.336 3.011 1.00 0.00 N ATOM 407 CA SER A 27 -7.860 5.918 3.169 1.00 0.00 C ATOM 408 C SER A 27 -6.851 4.850 3.433 1.00 0.00 C ATOM 409 O SER A 27 -7.125 3.878 4.161 1.00 0.00 O ATOM 410 CB SER A 27 -7.894 6.930 4.313 1.00 0.00 C ATOM 411 OG SER A 27 -8.499 6.378 5.471 1.00 0.00 O ATOM 0 H SER A 27 -9.735 5.355 3.855 1.00 0.00 H new ATOM 0 HA SER A 27 -7.575 6.433 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.879 7.251 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.444 7.817 4.000 1.00 0.00 H new ATOM 0 HG SER A 27 -8.506 7.047 6.187 1.00 0.00 H new ATOM 417 N LEU A 28 -5.680 4.999 2.837 1.00 0.00 N ATOM 418 CA LEU A 28 -4.628 4.030 3.033 1.00 0.00 C ATOM 419 C LEU A 28 -4.189 4.125 4.496 1.00 0.00 C ATOM 420 O LEU A 28 -3.740 3.164 5.078 1.00 0.00 O ATOM 421 CB LEU A 28 -3.467 4.338 2.079 1.00 0.00 C ATOM 422 CG LEU A 28 -2.527 3.172 1.648 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.778 2.545 2.805 1.00 0.00 C ATOM 424 CD2 LEU A 28 -3.300 2.117 0.871 1.00 0.00 C ATOM 0 H LEU A 28 -5.440 5.775 2.220 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.969 3.017 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.889 4.775 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.850 5.106 2.546 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.771 3.613 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.143 1.741 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.161 3.301 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.491 2.142 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.625 1.312 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.096 1.714 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.734 2.568 -0.022 1.00 0.00 H new ATOM 436 N ASN A 29 -4.393 5.305 5.089 1.00 0.00 N ATOM 437 CA ASN A 29 -4.074 5.537 6.515 1.00 0.00 C ATOM 438 C ASN A 29 -4.850 4.608 7.415 1.00 0.00 C ATOM 439 O ASN A 29 -4.319 4.124 8.415 1.00 0.00 O ATOM 440 CB ASN A 29 -4.307 6.997 6.938 1.00 0.00 C ATOM 441 CG ASN A 29 -3.288 7.965 6.374 1.00 0.00 C ATOM 442 OD1 ASN A 29 -2.126 7.606 6.145 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.698 9.186 6.150 1.00 0.00 N ATOM 0 H ASN A 29 -4.777 6.119 4.610 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.011 5.324 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.303 7.304 6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.289 7.058 8.026 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.052 9.880 5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.664 9.445 6.351 1.00 0.00 H new ATOM 450 N ASP A 30 -6.093 4.326 7.050 1.00 0.00 N ATOM 451 CA ASP A 30 -6.916 3.421 7.838 1.00 0.00 C ATOM 452 C ASP A 30 -6.393 2.020 7.702 1.00 0.00 C ATOM 453 O ASP A 30 -6.343 1.266 8.657 1.00 0.00 O ATOM 454 CB ASP A 30 -8.353 3.456 7.370 1.00 0.00 C ATOM 455 CG ASP A 30 -9.264 2.601 8.237 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.587 3.015 9.361 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.688 1.511 7.793 1.00 0.00 O ATOM 0 H ASP A 30 -6.550 4.707 6.221 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.875 3.739 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.710 4.486 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.405 3.108 6.338 1.00 0.00 H new ATOM 462 N LEU A 31 -5.954 1.710 6.512 1.00 0.00 N ATOM 463 CA LEU A 31 -5.449 0.387 6.184 1.00 0.00 C ATOM 464 C LEU A 31 -4.164 0.185 6.972 1.00 0.00 C ATOM 465 O LEU A 31 -3.963 -0.860 7.579 1.00 0.00 O ATOM 466 CB LEU A 31 -5.207 0.317 4.658 1.00 0.00 C ATOM 467 CG LEU A 31 -5.074 -1.073 3.981 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.972 -0.907 2.484 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.876 -1.850 4.479 1.00 0.00 C ATOM 0 H LEU A 31 -5.933 2.367 5.732 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.154 -0.402 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.027 0.844 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.296 0.876 4.443 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.967 -1.641 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.879 -1.886 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.867 -0.410 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.096 -0.305 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.831 -2.814 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.966 -1.288 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.966 -2.009 5.554 1.00 0.00 H new ATOM 481 N LYS A 32 -3.310 1.209 6.978 1.00 0.00 N ATOM 482 CA LYS A 32 -2.112 1.192 7.759 1.00 0.00 C ATOM 483 C LYS A 32 -2.412 1.007 9.200 1.00 0.00 C ATOM 484 O LYS A 32 -1.808 0.212 9.819 1.00 0.00 O ATOM 485 CB LYS A 32 -1.406 2.477 7.626 1.00 0.00 C ATOM 486 CG LYS A 32 -0.993 2.799 6.252 1.00 0.00 C ATOM 487 CD LYS A 32 -0.301 4.132 6.173 1.00 0.00 C ATOM 488 CE LYS A 32 0.954 4.240 7.048 1.00 0.00 C ATOM 489 NZ LYS A 32 0.713 4.361 8.538 1.00 0.00 N ATOM 0 H LYS A 32 -3.445 2.063 6.437 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.502 0.365 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.052 3.273 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.523 2.461 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.326 2.021 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.868 2.805 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.025 4.325 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.004 4.912 6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.574 3.361 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.528 5.107 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.324 5.107 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.284 4.604 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.933 3.456 9.000 1.00 0.00 H new ATOM 503 N LYS A 33 -3.358 1.764 9.721 1.00 0.00 N ATOM 504 CA LYS A 33 -3.694 1.709 11.119 1.00 0.00 C ATOM 505 C LYS A 33 -4.184 0.302 11.503 1.00 0.00 C ATOM 506 O LYS A 33 -3.957 -0.167 12.622 1.00 0.00 O ATOM 507 CB LYS A 33 -4.747 2.769 11.422 1.00 0.00 C ATOM 508 CG LYS A 33 -4.903 3.075 12.889 1.00 0.00 C ATOM 509 CD LYS A 33 -3.566 3.519 13.482 1.00 0.00 C ATOM 510 CE LYS A 33 -2.977 4.740 12.766 1.00 0.00 C ATOM 511 NZ LYS A 33 -1.659 5.114 13.318 1.00 0.00 N ATOM 0 H LYS A 33 -3.911 2.431 9.183 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.807 1.916 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.486 3.687 10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.707 2.437 11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.648 3.858 13.027 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.267 2.193 13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.701 3.753 14.538 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.857 2.693 13.427 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.878 4.525 11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.663 5.582 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.202 5.804 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.784 5.535 14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.061 4.266 13.394 1.00 0.00 H new ATOM 525 N LYS A 34 -4.832 -0.354 10.568 1.00 0.00 N ATOM 526 CA LYS A 34 -5.259 -1.702 10.705 1.00 0.00 C ATOM 527 C LYS A 34 -4.046 -2.646 10.682 1.00 0.00 C ATOM 528 O LYS A 34 -3.945 -3.564 11.495 1.00 0.00 O ATOM 529 CB LYS A 34 -6.274 -1.986 9.599 1.00 0.00 C ATOM 530 CG LYS A 34 -7.741 -1.780 9.997 1.00 0.00 C ATOM 531 CD LYS A 34 -7.997 -0.380 10.557 1.00 0.00 C ATOM 532 CE LYS A 34 -9.453 -0.160 10.909 1.00 0.00 C ATOM 533 NZ LYS A 34 -10.329 -0.246 9.721 1.00 0.00 N ATOM 0 H LYS A 34 -5.077 0.060 9.669 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.747 -1.873 11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.050 -1.343 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.145 -3.015 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.378 -1.944 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.021 -2.524 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.384 -0.229 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.686 0.365 9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.765 -0.902 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.569 0.818 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.245 0.199 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.880 0.246 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.479 -1.245 9.472 1.00 0.00 H new ATOM 547 N LEU A 35 -3.116 -2.386 9.775 1.00 0.00 N ATOM 548 CA LEU A 35 -1.855 -3.100 9.704 1.00 0.00 C ATOM 549 C LEU A 35 -1.065 -2.892 11.003 1.00 0.00 C ATOM 550 O LEU A 35 -0.568 -3.836 11.602 1.00 0.00 O ATOM 551 CB LEU A 35 -1.051 -2.580 8.508 1.00 0.00 C ATOM 552 CG LEU A 35 -1.609 -2.875 7.119 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.705 -2.289 6.049 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.776 -4.371 6.909 1.00 0.00 C ATOM 0 H LEU A 35 -3.219 -1.665 9.061 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.043 -4.166 9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.951 -1.499 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.047 -3.000 8.566 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.591 -2.408 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.117 -2.508 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.637 -1.209 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.289 -2.728 6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.175 -4.556 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.808 -4.863 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.464 -4.768 7.655 1.00 0.00 H new ATOM 566 N GLU A 36 -0.996 -1.647 11.424 1.00 0.00 N ATOM 567 CA GLU A 36 -0.358 -1.208 12.638 1.00 0.00 C ATOM 568 C GLU A 36 -0.963 -1.890 13.862 1.00 0.00 C ATOM 569 O GLU A 36 -0.284 -2.112 14.855 1.00 0.00 O ATOM 570 CB GLU A 36 -0.504 0.310 12.747 1.00 0.00 C ATOM 571 CG GLU A 36 0.361 1.115 11.779 1.00 0.00 C ATOM 572 CD GLU A 36 0.087 2.603 11.845 1.00 0.00 C ATOM 573 OE1 GLU A 36 0.169 3.185 12.959 1.00 0.00 O ATOM 574 OE2 GLU A 36 -0.247 3.211 10.799 1.00 0.00 O ATOM 0 H GLU A 36 -1.407 -0.876 10.897 1.00 0.00 H new ATOM 0 HA GLU A 36 0.697 -1.480 12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.549 0.572 12.580 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.259 0.611 13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.412 0.934 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.185 0.763 10.763 1.00 0.00 H new ATOM 581 N LEU A 37 -2.233 -2.201 13.787 1.00 0.00 N ATOM 582 CA LEU A 37 -2.916 -2.881 14.864 1.00 0.00 C ATOM 583 C LEU A 37 -2.437 -4.332 14.947 1.00 0.00 C ATOM 584 O LEU A 37 -2.066 -4.810 16.014 1.00 0.00 O ATOM 585 CB LEU A 37 -4.438 -2.833 14.648 1.00 0.00 C ATOM 586 CG LEU A 37 -5.308 -3.459 15.743 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.118 -2.734 17.068 1.00 0.00 C ATOM 588 CD2 LEU A 37 -6.771 -3.441 15.330 1.00 0.00 C ATOM 0 H LEU A 37 -2.823 -1.992 12.981 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.686 -2.377 15.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.733 -1.790 14.534 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.664 -3.333 13.706 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.996 -4.495 15.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.746 -3.197 17.829 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.073 -2.798 17.371 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.399 -1.687 16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.377 -3.889 16.118 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.091 -2.412 15.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.896 -4.010 14.408 1.00 0.00 H new ATOM 600 N VAL A 38 -2.407 -5.002 13.813 1.00 0.00 N ATOM 601 CA VAL A 38 -2.030 -6.410 13.765 1.00 0.00 C ATOM 602 C VAL A 38 -0.512 -6.604 13.946 1.00 0.00 C ATOM 603 O VAL A 38 -0.068 -7.494 14.676 1.00 0.00 O ATOM 604 CB VAL A 38 -2.475 -7.065 12.424 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.135 -8.550 12.396 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.961 -6.853 12.185 1.00 0.00 C ATOM 0 H VAL A 38 -2.639 -4.597 12.906 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.544 -6.898 14.593 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.924 -6.578 11.619 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.458 -8.979 11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.058 -8.679 12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.646 -9.056 13.216 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.248 -7.319 11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.528 -7.303 13.000 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.174 -5.785 12.141 1.00 0.00 H new ATOM 616 N VAL A 39 0.272 -5.764 13.315 1.00 0.00 N ATOM 617 CA VAL A 39 1.720 -5.909 13.362 1.00 0.00 C ATOM 618 C VAL A 39 2.310 -5.202 14.589 1.00 0.00 C ATOM 619 O VAL A 39 3.408 -5.517 15.040 1.00 0.00 O ATOM 620 CB VAL A 39 2.387 -5.418 12.035 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.873 -5.750 12.003 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.688 -6.026 10.824 1.00 0.00 C ATOM 0 H VAL A 39 -0.060 -4.973 12.763 1.00 0.00 H new ATOM 0 HA VAL A 39 1.943 -6.971 13.460 1.00 0.00 H new ATOM 0 HB VAL A 39 2.281 -4.334 11.996 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.305 -5.395 11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.373 -5.264 12.841 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.006 -6.829 12.078 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.167 -5.672 9.911 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.757 -7.113 10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.639 -5.729 10.822 1.00 0.00 H new ATOM 632 N GLY A 40 1.571 -4.267 15.141 1.00 0.00 N ATOM 633 CA GLY A 40 2.043 -3.549 16.314 1.00 0.00 C ATOM 634 C GLY A 40 3.002 -2.450 15.941 1.00 0.00 C ATOM 635 O GLY A 40 3.677 -1.871 16.797 1.00 0.00 O ATOM 0 H GLY A 40 0.650 -3.984 14.805 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.193 -3.125 16.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.533 -4.245 16.995 1.00 0.00 H new ATOM 639 N THR A 41 3.081 -2.186 14.664 1.00 0.00 N ATOM 640 CA THR A 41 3.941 -1.160 14.138 1.00 0.00 C ATOM 641 C THR A 41 3.361 0.243 14.439 1.00 0.00 C ATOM 642 O THR A 41 2.180 0.392 14.784 1.00 0.00 O ATOM 643 CB THR A 41 4.073 -1.336 12.620 1.00 0.00 C ATOM 644 OG1 THR A 41 4.306 -2.712 12.342 1.00 0.00 O ATOM 645 CG2 THR A 41 5.245 -0.541 12.056 1.00 0.00 C ATOM 0 H THR A 41 2.545 -2.682 13.952 1.00 0.00 H new ATOM 0 HA THR A 41 4.919 -1.247 14.612 1.00 0.00 H new ATOM 0 HB THR A 41 3.153 -0.977 12.159 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.391 -2.840 11.374 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.303 -0.693 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.100 0.519 12.265 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.171 -0.879 12.521 1.00 0.00 H new ATOM 653 N THR A 42 4.191 1.231 14.306 1.00 0.00 N ATOM 654 CA THR A 42 3.836 2.603 14.489 1.00 0.00 C ATOM 655 C THR A 42 4.108 3.324 13.182 1.00 0.00 C ATOM 656 O THR A 42 4.939 2.866 12.422 1.00 0.00 O ATOM 657 CB THR A 42 4.700 3.226 15.599 1.00 0.00 C ATOM 658 OG1 THR A 42 6.090 3.079 15.268 1.00 0.00 O ATOM 659 CG2 THR A 42 4.420 2.572 16.943 1.00 0.00 C ATOM 0 H THR A 42 5.171 1.098 14.058 1.00 0.00 H new ATOM 0 HA THR A 42 2.787 2.688 14.773 1.00 0.00 H new ATOM 0 HB THR A 42 4.449 4.284 15.676 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.639 3.478 15.975 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.045 3.032 17.709 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.370 2.707 17.202 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.645 1.507 16.883 1.00 0.00 H new ATOM 667 N VAL A 43 3.429 4.442 12.923 1.00 0.00 N ATOM 668 CA VAL A 43 3.637 5.209 11.673 1.00 0.00 C ATOM 669 C VAL A 43 5.098 5.662 11.563 1.00 0.00 C ATOM 670 O VAL A 43 5.674 5.686 10.475 1.00 0.00 O ATOM 671 CB VAL A 43 2.712 6.465 11.596 1.00 0.00 C ATOM 672 CG1 VAL A 43 2.903 7.217 10.281 1.00 0.00 C ATOM 673 CG2 VAL A 43 1.259 6.084 11.772 1.00 0.00 C ATOM 0 H VAL A 43 2.733 4.843 13.551 1.00 0.00 H new ATOM 0 HA VAL A 43 3.386 4.544 10.847 1.00 0.00 H new ATOM 0 HB VAL A 43 2.998 7.127 12.413 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.245 8.085 10.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.939 7.545 10.197 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.662 6.558 9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.639 6.978 11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.967 5.388 10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.122 5.610 12.744 1.00 0.00 H new ATOM 683 N ASP A 44 5.682 5.975 12.703 1.00 0.00 N ATOM 684 CA ASP A 44 7.079 6.411 12.797 1.00 0.00 C ATOM 685 C ASP A 44 8.043 5.348 12.279 1.00 0.00 C ATOM 686 O ASP A 44 8.971 5.648 11.528 1.00 0.00 O ATOM 687 CB ASP A 44 7.418 6.762 14.253 1.00 0.00 C ATOM 688 CG ASP A 44 8.889 7.061 14.479 1.00 0.00 C ATOM 689 OD1 ASP A 44 9.371 8.116 14.040 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.593 6.231 15.107 1.00 0.00 O ATOM 0 H ASP A 44 5.204 5.937 13.603 1.00 0.00 H new ATOM 0 HA ASP A 44 7.194 7.294 12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.829 7.628 14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.121 5.934 14.896 1.00 0.00 H new ATOM 695 N SER A 45 7.805 4.122 12.655 1.00 0.00 N ATOM 696 CA SER A 45 8.650 3.035 12.309 1.00 0.00 C ATOM 697 C SER A 45 8.107 2.222 11.128 1.00 0.00 C ATOM 698 O SER A 45 8.657 1.174 10.777 1.00 0.00 O ATOM 699 CB SER A 45 8.714 2.159 13.508 1.00 0.00 C ATOM 700 OG SER A 45 9.233 2.864 14.624 1.00 0.00 O ATOM 0 H SER A 45 7.000 3.855 13.221 1.00 0.00 H new ATOM 0 HA SER A 45 9.626 3.416 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.718 1.783 13.742 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.341 1.292 13.297 1.00 0.00 H new ATOM 0 HG SER A 45 9.976 2.358 15.014 1.00 0.00 H new ATOM 706 N MET A 46 7.070 2.697 10.524 1.00 0.00 N ATOM 707 CA MET A 46 6.409 1.946 9.475 1.00 0.00 C ATOM 708 C MET A 46 6.858 2.351 8.099 1.00 0.00 C ATOM 709 O MET A 46 6.959 3.533 7.780 1.00 0.00 O ATOM 710 CB MET A 46 4.887 2.095 9.562 1.00 0.00 C ATOM 711 CG MET A 46 4.121 1.249 8.561 1.00 0.00 C ATOM 712 SD MET A 46 2.338 1.453 8.693 1.00 0.00 S ATOM 713 CE MET A 46 1.802 0.269 7.471 1.00 0.00 C ATOM 0 H MET A 46 6.650 3.604 10.729 1.00 0.00 H new ATOM 0 HA MET A 46 6.690 0.905 9.634 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.564 1.829 10.568 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.626 3.142 9.410 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.438 1.512 7.552 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.374 0.199 8.711 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.789 0.511 7.149 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.473 0.303 6.613 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.816 -0.732 7.903 1.00 0.00 H new ATOM 723 N ARG A 47 7.151 1.364 7.313 1.00 0.00 N ATOM 724 CA ARG A 47 7.403 1.528 5.919 1.00 0.00 C ATOM 725 C ARG A 47 6.265 0.838 5.193 1.00 0.00 C ATOM 726 O ARG A 47 6.042 -0.371 5.386 1.00 0.00 O ATOM 727 CB ARG A 47 8.712 0.839 5.560 1.00 0.00 C ATOM 728 CG ARG A 47 9.056 0.795 4.075 1.00 0.00 C ATOM 729 CD ARG A 47 9.458 2.140 3.527 1.00 0.00 C ATOM 730 NE ARG A 47 10.690 2.628 4.153 1.00 0.00 N ATOM 731 CZ ARG A 47 11.914 2.516 3.604 1.00 0.00 C ATOM 732 NH1 ARG A 47 12.075 1.909 2.431 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.970 3.007 4.232 1.00 0.00 N ATOM 0 H ARG A 47 7.223 0.398 7.632 1.00 0.00 H new ATOM 0 HA ARG A 47 7.472 2.582 5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.522 1.344 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.677 -0.184 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.868 0.086 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.195 0.424 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.601 2.067 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.655 2.857 3.694 1.00 0.00 H new ATOM 0 HE ARG A 47 10.615 3.082 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.267 1.524 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.006 1.828 2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.857 3.471 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.897 2.921 3.815 1.00 0.00 H new ATOM 747 N ILE A 48 5.531 1.571 4.408 1.00 0.00 N ATOM 748 CA ILE A 48 4.482 0.972 3.635 1.00 0.00 C ATOM 749 C ILE A 48 5.043 0.748 2.230 1.00 0.00 C ATOM 750 O ILE A 48 5.456 1.699 1.554 1.00 0.00 O ATOM 751 CB ILE A 48 3.184 1.872 3.611 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.006 1.152 2.964 1.00 0.00 C ATOM 753 CG2 ILE A 48 3.412 3.238 2.970 1.00 0.00 C ATOM 754 CD1 ILE A 48 1.532 -0.052 3.743 1.00 0.00 C ATOM 0 H ILE A 48 5.638 2.578 4.286 1.00 0.00 H new ATOM 0 HA ILE A 48 4.171 0.026 4.079 1.00 0.00 H new ATOM 0 HB ILE A 48 2.934 2.057 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.178 1.853 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.291 0.836 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.482 3.807 2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.177 3.778 3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.740 3.106 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.692 -0.514 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.345 -0.772 3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.216 0.260 4.738 1.00 0.00 H new ATOM 766 N GLN A 49 5.091 -0.465 1.791 1.00 0.00 N ATOM 767 CA GLN A 49 5.758 -0.713 0.560 1.00 0.00 C ATOM 768 C GLN A 49 4.875 -1.518 -0.388 1.00 0.00 C ATOM 769 O GLN A 49 4.172 -2.419 0.030 1.00 0.00 O ATOM 770 CB GLN A 49 7.083 -1.400 0.871 1.00 0.00 C ATOM 771 CG GLN A 49 8.133 -1.252 -0.195 1.00 0.00 C ATOM 772 CD GLN A 49 9.473 -1.772 0.261 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.560 -2.716 1.041 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.519 -1.115 -0.156 1.00 0.00 N ATOM 0 H GLN A 49 4.688 -1.280 2.252 1.00 0.00 H new ATOM 0 HA GLN A 49 5.966 0.222 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.474 -0.998 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.897 -2.462 1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.820 -1.790 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.226 -0.201 -0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.407 -0.336 -0.805 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.450 -1.380 0.166 1.00 0.00 H new ATOM 783 N LEU A 50 4.905 -1.167 -1.641 1.00 0.00 N ATOM 784 CA LEU A 50 4.085 -1.813 -2.655 1.00 0.00 C ATOM 785 C LEU A 50 4.998 -2.686 -3.531 1.00 0.00 C ATOM 786 O LEU A 50 6.100 -2.265 -3.911 1.00 0.00 O ATOM 787 CB LEU A 50 3.368 -0.702 -3.511 1.00 0.00 C ATOM 788 CG LEU A 50 2.182 -1.085 -4.470 1.00 0.00 C ATOM 789 CD1 LEU A 50 1.644 0.165 -5.139 1.00 0.00 C ATOM 790 CD2 LEU A 50 2.603 -2.076 -5.528 1.00 0.00 C ATOM 0 H LEU A 50 5.499 -0.421 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 50 3.321 -2.445 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.992 0.049 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.133 -0.219 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 50 1.408 -1.554 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.822 -0.103 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.285 0.859 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.438 0.639 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.751 -2.311 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.402 -1.646 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.960 -2.988 -5.050 1.00 0.00 H new ATOM 802 N PHE A 51 4.573 -3.911 -3.771 1.00 0.00 N ATOM 803 CA PHE A 51 5.261 -4.837 -4.657 1.00 0.00 C ATOM 804 C PHE A 51 4.309 -5.344 -5.739 1.00 0.00 C ATOM 805 O PHE A 51 3.256 -5.931 -5.427 1.00 0.00 O ATOM 806 CB PHE A 51 5.798 -6.063 -3.880 1.00 0.00 C ATOM 807 CG PHE A 51 6.989 -5.827 -2.986 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.891 -5.067 -1.836 1.00 0.00 C ATOM 809 CD2 PHE A 51 8.210 -6.404 -3.295 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.989 -4.884 -1.019 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.309 -6.224 -2.482 1.00 0.00 C ATOM 812 CZ PHE A 51 9.198 -5.462 -1.342 1.00 0.00 C ATOM 0 H PHE A 51 3.728 -4.299 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 51 6.094 -4.295 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.987 -6.461 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.062 -6.835 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.947 -4.612 -1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.303 -7.005 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.900 -4.286 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.254 -6.680 -2.739 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.056 -5.317 -0.702 1.00 0.00 H new ATOM 822 N ASP A 52 4.662 -5.125 -6.987 1.00 0.00 N ATOM 823 CA ASP A 52 3.959 -5.655 -8.099 1.00 0.00 C ATOM 824 C ASP A 52 4.925 -5.890 -9.205 1.00 0.00 C ATOM 825 O ASP A 52 6.108 -5.547 -9.097 1.00 0.00 O ATOM 826 CB ASP A 52 2.845 -4.757 -8.623 1.00 0.00 C ATOM 827 CG ASP A 52 3.266 -3.413 -9.202 1.00 0.00 C ATOM 828 OD1 ASP A 52 3.752 -3.368 -10.364 1.00 0.00 O ATOM 829 OD2 ASP A 52 3.074 -2.401 -8.552 1.00 0.00 O ATOM 0 H ASP A 52 5.469 -4.557 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 52 3.486 -6.574 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.301 -5.304 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.145 -4.572 -7.808 1.00 0.00 H new ATOM 834 N GLY A 53 4.435 -6.422 -10.268 1.00 0.00 N ATOM 835 CA GLY A 53 5.272 -6.725 -11.381 1.00 0.00 C ATOM 836 C GLY A 53 5.980 -8.018 -11.171 1.00 0.00 C ATOM 837 O GLY A 53 7.219 -8.054 -11.059 1.00 0.00 O ATOM 0 H GLY A 53 3.451 -6.659 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.672 -6.777 -12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.999 -5.926 -11.524 1.00 0.00 H new ATOM 841 N ASP A 54 5.184 -9.081 -11.062 1.00 0.00 N ATOM 842 CA ASP A 54 5.640 -10.466 -10.887 1.00 0.00 C ATOM 843 C ASP A 54 6.264 -10.739 -9.511 1.00 0.00 C ATOM 844 O ASP A 54 5.918 -11.730 -8.846 1.00 0.00 O ATOM 845 CB ASP A 54 6.597 -10.887 -12.016 1.00 0.00 C ATOM 846 CG ASP A 54 7.080 -12.317 -11.882 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.347 -13.245 -12.285 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.201 -12.532 -11.375 1.00 0.00 O ATOM 0 H ASP A 54 4.168 -9.002 -11.094 1.00 0.00 H new ATOM 0 HA ASP A 54 4.742 -11.081 -10.941 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.093 -10.768 -12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.458 -10.218 -12.023 1.00 0.00 H new ATOM 853 N ASP A 55 7.144 -9.859 -9.066 1.00 0.00 N ATOM 854 CA ASP A 55 7.880 -10.077 -7.847 1.00 0.00 C ATOM 855 C ASP A 55 8.544 -8.800 -7.338 1.00 0.00 C ATOM 856 O ASP A 55 8.696 -8.609 -6.124 1.00 0.00 O ATOM 857 CB ASP A 55 8.943 -11.149 -8.091 1.00 0.00 C ATOM 858 CG ASP A 55 9.764 -11.496 -6.871 1.00 0.00 C ATOM 859 OD1 ASP A 55 9.320 -12.359 -6.080 1.00 0.00 O ATOM 860 OD2 ASP A 55 10.871 -10.936 -6.706 1.00 0.00 O ATOM 0 H ASP A 55 7.363 -8.982 -9.540 1.00 0.00 H new ATOM 0 HA ASP A 55 7.176 -10.403 -7.082 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.455 -12.053 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.612 -10.808 -8.881 1.00 0.00 H new ATOM 865 N GLN A 56 8.905 -7.932 -8.265 1.00 0.00 N ATOM 866 CA GLN A 56 9.691 -6.724 -7.972 1.00 0.00 C ATOM 867 C GLN A 56 9.042 -5.735 -6.983 1.00 0.00 C ATOM 868 O GLN A 56 7.826 -5.687 -6.799 1.00 0.00 O ATOM 869 CB GLN A 56 10.068 -5.990 -9.250 1.00 0.00 C ATOM 870 CG GLN A 56 10.884 -6.811 -10.232 1.00 0.00 C ATOM 871 CD GLN A 56 11.302 -6.009 -11.446 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.509 -4.788 -11.372 1.00 0.00 O ATOM 873 NE2 GLN A 56 11.425 -6.664 -12.565 1.00 0.00 N ATOM 0 H GLN A 56 8.665 -8.036 -9.251 1.00 0.00 H new ATOM 0 HA GLN A 56 10.581 -7.105 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.156 -5.657 -9.745 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.633 -5.096 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.772 -7.195 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.301 -7.674 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.247 -7.668 -12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.699 -6.173 -13.416 1.00 0.00 H new ATOM 882 N LEU A 57 9.903 -4.961 -6.365 1.00 0.00 N ATOM 883 CA LEU A 57 9.553 -3.911 -5.431 1.00 0.00 C ATOM 884 C LEU A 57 9.181 -2.668 -6.216 1.00 0.00 C ATOM 885 O LEU A 57 9.957 -2.204 -7.054 1.00 0.00 O ATOM 886 CB LEU A 57 10.788 -3.689 -4.508 1.00 0.00 C ATOM 887 CG LEU A 57 10.734 -2.663 -3.355 1.00 0.00 C ATOM 888 CD1 LEU A 57 11.932 -2.892 -2.453 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.804 -1.233 -3.868 1.00 0.00 C ATOM 0 H LEU A 57 10.910 -5.048 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 57 8.694 -4.169 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.037 -4.654 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.622 -3.407 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 57 9.791 -2.798 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.911 -2.176 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.897 -3.905 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.850 -2.760 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.763 -0.542 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.737 -1.087 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.962 -1.044 -4.534 1.00 0.00 H new ATOM 901 N LYS A 58 8.008 -2.134 -5.954 1.00 0.00 N ATOM 902 CA LYS A 58 7.535 -0.971 -6.679 1.00 0.00 C ATOM 903 C LYS A 58 8.002 0.277 -5.917 1.00 0.00 C ATOM 904 O LYS A 58 8.496 1.231 -6.508 1.00 0.00 O ATOM 905 CB LYS A 58 5.996 -0.999 -6.744 1.00 0.00 C ATOM 906 CG LYS A 58 5.280 -0.423 -8.009 1.00 0.00 C ATOM 907 CD LYS A 58 5.597 1.024 -8.404 1.00 0.00 C ATOM 908 CE LYS A 58 6.915 1.141 -9.147 1.00 0.00 C ATOM 909 NZ LYS A 58 7.192 2.524 -9.593 1.00 0.00 N ATOM 0 H LYS A 58 7.364 -2.485 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 58 7.928 -0.963 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.681 -2.036 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.620 -0.456 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.525 -1.064 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.204 -0.501 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.794 1.412 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.631 1.644 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.724 0.802 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.900 0.479 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.103 2.551 -10.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.435 2.841 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.234 3.154 -8.766 1.00 0.00 H new ATOM 923 N GLY A 59 7.867 0.252 -4.602 1.00 0.00 N ATOM 924 CA GLY A 59 8.314 1.386 -3.804 1.00 0.00 C ATOM 925 C GLY A 59 7.440 1.651 -2.592 1.00 0.00 C ATOM 926 O GLY A 59 6.700 0.778 -2.158 1.00 0.00 O ATOM 0 H GLY A 59 7.462 -0.520 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.337 1.207 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.333 2.277 -4.431 1.00 0.00 H new ATOM 930 N GLU A 60 7.525 2.858 -2.063 1.00 0.00 N ATOM 931 CA GLU A 60 6.788 3.255 -0.865 1.00 0.00 C ATOM 932 C GLU A 60 5.565 4.066 -1.243 1.00 0.00 C ATOM 933 O GLU A 60 5.656 4.966 -2.085 1.00 0.00 O ATOM 934 CB GLU A 60 7.687 4.113 0.025 1.00 0.00 C ATOM 935 CG GLU A 60 7.027 4.617 1.298 1.00 0.00 C ATOM 936 CD GLU A 60 7.932 5.517 2.087 1.00 0.00 C ATOM 937 OE1 GLU A 60 8.690 5.014 2.928 1.00 0.00 O ATOM 938 OE2 GLU A 60 7.901 6.730 1.877 1.00 0.00 O ATOM 0 H GLU A 60 8.109 3.599 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 60 6.477 2.355 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.569 3.532 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.034 4.970 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.114 5.155 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.735 3.767 1.915 1.00 0.00 H new ATOM 945 N LEU A 61 4.432 3.773 -0.619 1.00 0.00 N ATOM 946 CA LEU A 61 3.202 4.532 -0.898 1.00 0.00 C ATOM 947 C LEU A 61 3.323 5.945 -0.381 1.00 0.00 C ATOM 948 O LEU A 61 3.214 6.890 -1.121 1.00 0.00 O ATOM 949 CB LEU A 61 1.922 3.837 -0.363 1.00 0.00 C ATOM 950 CG LEU A 61 1.514 2.485 -1.009 1.00 0.00 C ATOM 951 CD1 LEU A 61 2.554 1.407 -0.795 1.00 0.00 C ATOM 952 CD2 LEU A 61 0.171 2.023 -0.493 1.00 0.00 C ATOM 0 H LEU A 61 4.330 3.031 0.073 1.00 0.00 H new ATOM 0 HA LEU A 61 3.090 4.566 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.051 3.673 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.089 4.530 -0.481 1.00 0.00 H new ATOM 0 HG LEU A 61 1.441 2.661 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.221 0.482 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.499 1.720 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.692 1.241 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.092 1.074 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.222 1.893 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.587 2.768 -0.733 1.00 0.00 H new ATOM 964 N THR A 62 3.461 6.016 0.892 1.00 0.00 N ATOM 965 CA THR A 62 3.774 7.221 1.732 1.00 0.00 C ATOM 966 C THR A 62 2.579 8.144 2.024 1.00 0.00 C ATOM 967 O THR A 62 2.709 9.106 2.795 1.00 0.00 O ATOM 968 CB THR A 62 5.068 8.055 1.320 1.00 0.00 C ATOM 969 OG1 THR A 62 5.422 8.937 2.399 1.00 0.00 O ATOM 970 CG2 THR A 62 4.846 8.933 0.092 1.00 0.00 C ATOM 0 H THR A 62 3.358 5.182 1.470 1.00 0.00 H new ATOM 0 HA THR A 62 4.034 6.739 2.674 1.00 0.00 H new ATOM 0 HB THR A 62 5.847 7.326 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.608 9.251 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.763 9.475 -0.138 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.571 8.308 -0.758 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.045 9.644 0.293 1.00 0.00 H new ATOM 978 N ASP A 63 1.432 7.849 1.464 1.00 0.00 N ATOM 979 CA ASP A 63 0.251 8.679 1.691 1.00 0.00 C ATOM 980 C ASP A 63 -0.952 7.822 1.880 1.00 0.00 C ATOM 981 O ASP A 63 -1.072 6.769 1.258 1.00 0.00 O ATOM 982 CB ASP A 63 -0.031 9.663 0.527 1.00 0.00 C ATOM 983 CG ASP A 63 1.028 10.731 0.315 1.00 0.00 C ATOM 984 OD1 ASP A 63 1.989 10.493 -0.421 1.00 0.00 O ATOM 985 OD2 ASP A 63 0.879 11.850 0.868 1.00 0.00 O ATOM 0 H ASP A 63 1.280 7.049 0.850 1.00 0.00 H new ATOM 0 HA ASP A 63 0.460 9.264 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.137 9.090 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.987 10.153 0.710 1.00 0.00 H new ATOM 990 N GLY A 64 -1.831 8.247 2.750 1.00 0.00 N ATOM 991 CA GLY A 64 -3.065 7.547 2.934 1.00 0.00 C ATOM 992 C GLY A 64 -4.228 8.468 3.030 1.00 0.00 C ATOM 993 O GLY A 64 -5.347 8.016 3.178 1.00 0.00 O ATOM 0 H GLY A 64 -1.712 9.072 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.217 6.859 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.006 6.944 3.840 1.00 0.00 H new ATOM 997 N ALA A 65 -3.970 9.772 2.956 1.00 0.00 N ATOM 998 CA ALA A 65 -5.037 10.772 2.956 1.00 0.00 C ATOM 999 C ALA A 65 -5.807 10.668 1.652 1.00 0.00 C ATOM 1000 O ALA A 65 -6.949 11.130 1.524 1.00 0.00 O ATOM 1001 CB ALA A 65 -4.458 12.163 3.133 1.00 0.00 C ATOM 0 H ALA A 65 -3.029 10.162 2.895 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.715 10.587 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.265 12.896 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.922 12.216 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.771 12.378 2.315 1.00 0.00 H new ATOM 1007 N LYS A 66 -5.161 10.051 0.699 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.721 9.744 -0.566 1.00 0.00 C ATOM 1009 C LYS A 66 -5.998 8.253 -0.589 1.00 0.00 C ATOM 1010 O LYS A 66 -5.310 7.480 0.098 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.777 10.215 -1.686 1.00 0.00 C ATOM 1012 CG LYS A 66 -3.336 9.739 -1.540 1.00 0.00 C ATOM 1013 CD LYS A 66 -2.390 10.424 -2.531 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.709 10.111 -3.979 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.806 10.829 -4.904 1.00 0.00 N ATOM 0 H LYS A 66 -4.194 9.742 0.798 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.661 10.268 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.166 9.866 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.785 11.305 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.994 9.932 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.296 8.660 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.437 11.503 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.366 10.117 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.624 9.037 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.742 10.386 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.054 10.591 -5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.906 11.854 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.822 10.548 -4.717 1.00 0.00 H new ATOM 1029 N SER A 67 -6.978 7.851 -1.330 1.00 0.00 N ATOM 1030 CA SER A 67 -7.430 6.500 -1.302 1.00 0.00 C ATOM 1031 C SER A 67 -6.543 5.581 -2.084 1.00 0.00 C ATOM 1032 O SER A 67 -5.636 6.023 -2.794 1.00 0.00 O ATOM 1033 CB SER A 67 -8.834 6.450 -1.848 1.00 0.00 C ATOM 1034 OG SER A 67 -8.903 7.098 -3.112 1.00 0.00 O ATOM 0 H SER A 67 -7.490 8.454 -1.975 1.00 0.00 H new ATOM 0 HA SER A 67 -7.405 6.155 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.155 5.413 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.519 6.930 -1.149 1.00 0.00 H new ATOM 0 HG SER A 67 -9.821 7.054 -3.452 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.822 4.299 -1.968 1.00 0.00 N ATOM 1041 CA LEU A 68 -6.131 3.271 -2.719 1.00 0.00 C ATOM 1042 C LEU A 68 -6.346 3.521 -4.194 1.00 0.00 C ATOM 1043 O LEU A 68 -5.457 3.306 -5.026 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.677 1.867 -2.384 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.556 1.356 -0.934 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -7.481 2.078 0.035 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -6.752 -0.141 -0.872 1.00 0.00 C ATOM 0 H LEU A 68 -7.543 3.938 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.073 3.309 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.733 1.849 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.170 1.151 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.542 1.586 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.347 1.671 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.244 3.142 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.516 1.939 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.662 -0.477 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.742 -0.394 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.994 -0.633 -1.481 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.526 4.031 -4.492 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.952 4.298 -5.834 1.00 0.00 C ATOM 1061 C LYS A 69 -7.122 5.458 -6.375 1.00 0.00 C ATOM 1062 O LYS A 69 -6.634 5.420 -7.506 1.00 0.00 O ATOM 1063 CB LYS A 69 -9.471 4.649 -5.810 1.00 0.00 C ATOM 1064 CG LYS A 69 -10.214 4.683 -7.160 1.00 0.00 C ATOM 1065 CD LYS A 69 -9.754 5.798 -8.074 1.00 0.00 C ATOM 1066 CE LYS A 69 -10.510 5.783 -9.381 1.00 0.00 C ATOM 1067 NZ LYS A 69 -10.051 6.847 -10.294 1.00 0.00 N ATOM 0 H LYS A 69 -8.222 4.273 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.808 3.432 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.973 3.926 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.583 5.626 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.075 3.728 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.283 4.793 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.897 6.759 -7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.686 5.695 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.385 4.813 -9.862 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.575 5.907 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.594 6.803 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.194 7.775 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.040 6.715 -10.501 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.933 6.456 -5.542 1.00 0.00 N ATOM 1082 CA ASP A 70 -6.229 7.667 -5.939 1.00 0.00 C ATOM 1083 C ASP A 70 -4.719 7.410 -5.976 1.00 0.00 C ATOM 1084 O ASP A 70 -3.993 8.006 -6.757 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.571 8.782 -4.965 1.00 0.00 C ATOM 1086 CG ASP A 70 -6.293 10.170 -5.512 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -7.098 10.655 -6.338 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -5.312 10.801 -5.114 1.00 0.00 O ATOM 0 H ASP A 70 -7.258 6.458 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.541 7.966 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.625 8.710 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.999 8.640 -4.048 1.00 0.00 H new ATOM 1093 N LEU A 71 -4.270 6.495 -5.125 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.855 6.060 -5.085 1.00 0.00 C ATOM 1095 C LEU A 71 -2.506 5.150 -6.257 1.00 0.00 C ATOM 1096 O LEU A 71 -1.332 4.894 -6.521 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.551 5.290 -3.789 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.486 6.071 -2.477 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.344 5.101 -1.331 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -1.288 7.003 -2.490 1.00 0.00 C ATOM 0 H LEU A 71 -4.864 6.027 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.257 6.970 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.310 4.516 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.595 4.783 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.398 6.657 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.297 5.652 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.202 4.429 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.430 4.520 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.248 7.557 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.375 6.420 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.380 7.703 -3.321 1.00 0.00 H new ATOM 1112 N GLY A 72 -3.510 4.657 -6.948 1.00 0.00 N ATOM 1113 CA GLY A 72 -3.270 3.772 -8.069 1.00 0.00 C ATOM 1114 C GLY A 72 -2.905 2.364 -7.624 1.00 0.00 C ATOM 1115 O GLY A 72 -2.250 1.614 -8.361 1.00 0.00 O ATOM 0 H GLY A 72 -4.493 4.851 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.161 3.733 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.466 4.177 -8.683 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.323 2.002 -6.425 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.073 0.681 -5.893 1.00 0.00 C ATOM 1121 C VAL A 73 -4.132 -0.238 -6.454 1.00 0.00 C ATOM 1122 O VAL A 73 -5.289 -0.160 -6.078 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.146 0.656 -4.337 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.881 -0.748 -3.799 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.152 1.641 -3.740 1.00 0.00 C ATOM 0 H VAL A 73 -3.843 2.615 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.069 0.366 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.154 0.951 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.938 -0.737 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.628 -1.436 -4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.888 -1.074 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.217 1.610 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.142 1.372 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.383 2.648 -4.088 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.749 -1.050 -7.390 1.00 0.00 N ATOM 1136 CA ARG A 74 -4.673 -1.952 -8.021 1.00 0.00 C ATOM 1137 C ARG A 74 -4.851 -3.234 -7.243 1.00 0.00 C ATOM 1138 O ARG A 74 -4.224 -3.453 -6.204 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.237 -2.278 -9.439 1.00 0.00 C ATOM 1140 CG ARG A 74 -4.355 -1.141 -10.447 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.810 -0.721 -10.607 1.00 0.00 C ATOM 1142 NE ARG A 74 -6.669 -1.890 -10.868 1.00 0.00 N ATOM 1143 CZ ARG A 74 -7.982 -1.862 -11.068 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -8.622 -0.707 -11.238 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -8.650 -3.008 -11.113 1.00 0.00 N ATOM 0 H ARG A 74 -2.793 -1.109 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.633 -1.437 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.199 -2.609 -9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.831 -3.119 -9.797 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.759 -0.290 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.953 -1.457 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.147 -0.211 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.899 -0.009 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.214 -2.803 -10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.104 0.171 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.630 -0.700 -11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.155 -3.892 -10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.659 -3.005 -11.266 1.00 0.00 H new ATOM 1159 N ASP A 75 -5.701 -4.073 -7.770 1.00 0.00 N ATOM 1160 CA ASP A 75 -5.985 -5.363 -7.208 1.00 0.00 C ATOM 1161 C ASP A 75 -4.882 -6.313 -7.551 1.00 0.00 C ATOM 1162 O ASP A 75 -4.156 -6.119 -8.535 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.316 -5.906 -7.734 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.339 -6.091 -9.250 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -7.331 -5.072 -9.989 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.379 -7.248 -9.719 1.00 0.00 O ATOM 0 H ASP A 75 -6.226 -3.873 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.059 -5.261 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.524 -6.863 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.117 -5.225 -7.446 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.738 -7.306 -6.741 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.703 -8.305 -6.935 1.00 0.00 C ATOM 1173 C GLY A 76 -2.317 -7.812 -6.540 1.00 0.00 C ATOM 1174 O GLY A 76 -1.330 -8.507 -6.735 1.00 0.00 O ATOM 0 H GLY A 76 -5.326 -7.462 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.947 -9.192 -6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.690 -8.608 -7.982 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.251 -6.607 -6.000 1.00 0.00 N ATOM 1179 CA TYR A 77 -0.996 -6.014 -5.549 1.00 0.00 C ATOM 1180 C TYR A 77 -0.615 -6.517 -4.188 1.00 0.00 C ATOM 1181 O TYR A 77 -1.482 -6.846 -3.367 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.087 -4.485 -5.514 1.00 0.00 C ATOM 1183 CG TYR A 77 -0.935 -3.783 -6.850 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.144 -4.435 -8.061 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.543 -2.460 -6.883 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -0.968 -3.772 -9.263 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.362 -1.796 -8.068 1.00 0.00 C ATOM 1188 CZ TYR A 77 -0.573 -2.448 -9.254 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.389 -1.776 -10.435 1.00 0.00 O ATOM 0 H TYR A 77 -3.065 -6.009 -5.860 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.229 -6.310 -6.265 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.050 -4.207 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.318 -4.110 -4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.447 -5.472 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.375 -1.936 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.138 -4.284 -10.199 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.054 -0.761 -8.067 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.113 -0.855 -10.248 1.00 0.00 H new ATOM 1199 N ARG A 78 0.663 -6.573 -3.936 1.00 0.00 N ATOM 1200 CA ARG A 78 1.142 -6.986 -2.661 1.00 0.00 C ATOM 1201 C ARG A 78 1.633 -5.806 -1.890 1.00 0.00 C ATOM 1202 O ARG A 78 2.514 -5.068 -2.338 1.00 0.00 O ATOM 1203 CB ARG A 78 2.225 -8.058 -2.767 1.00 0.00 C ATOM 1204 CG ARG A 78 1.711 -9.381 -3.286 1.00 0.00 C ATOM 1205 CD ARG A 78 2.815 -10.407 -3.384 1.00 0.00 C ATOM 1206 NE ARG A 78 2.303 -11.703 -3.829 1.00 0.00 N ATOM 1207 CZ ARG A 78 2.927 -12.535 -4.651 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.107 -12.203 -5.171 1.00 0.00 N ATOM 1209 NH2 ARG A 78 2.365 -13.701 -4.961 1.00 0.00 N ATOM 0 H ARG A 78 1.392 -6.334 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 78 0.306 -7.438 -2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.016 -7.700 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.672 -8.210 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.927 -9.752 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.259 -9.237 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.578 -10.057 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.297 -10.519 -2.413 1.00 0.00 H new ATOM 0 HE ARG A 78 1.390 -11.990 -3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.533 -11.306 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.585 -12.845 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.458 -13.951 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.841 -14.345 -5.593 1.00 0.00 H new ATOM 1223 N ILE A 79 1.052 -5.610 -0.752 1.00 0.00 N ATOM 1224 CA ILE A 79 1.429 -4.538 0.105 1.00 0.00 C ATOM 1225 C ILE A 79 2.257 -5.085 1.228 1.00 0.00 C ATOM 1226 O ILE A 79 1.819 -5.937 1.993 1.00 0.00 O ATOM 1227 CB ILE A 79 0.213 -3.750 0.651 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.569 -3.086 -0.492 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.636 -2.712 1.683 1.00 0.00 C ATOM 1230 CD1 ILE A 79 0.249 -2.133 -1.352 1.00 0.00 C ATOM 0 H ILE A 79 0.298 -6.194 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 79 2.011 -3.825 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.442 -4.466 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.984 -3.865 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.411 -2.539 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.243 -2.178 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.127 -3.210 2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.327 -2.004 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.385 -1.712 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.642 -1.329 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.076 -2.675 -1.810 1.00 0.00 H new ATOM 1242 N HIS A 80 3.439 -4.621 1.295 1.00 0.00 N ATOM 1243 CA HIS A 80 4.381 -5.038 2.258 1.00 0.00 C ATOM 1244 C HIS A 80 4.441 -4.047 3.401 1.00 0.00 C ATOM 1245 O HIS A 80 4.741 -2.874 3.202 1.00 0.00 O ATOM 1246 CB HIS A 80 5.750 -5.199 1.590 1.00 0.00 C ATOM 1247 CG HIS A 80 6.880 -5.451 2.530 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.136 -6.674 3.083 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.801 -4.606 3.033 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.157 -6.584 3.893 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.592 -5.333 3.881 1.00 0.00 N ATOM 0 H HIS A 80 3.795 -3.911 0.656 1.00 0.00 H new ATOM 0 HA HIS A 80 4.079 -6.000 2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.697 -6.024 0.879 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.967 -4.298 1.017 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.610 -7.527 2.892 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.897 -3.554 2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.575 -7.393 4.474 1.00 0.00 H new ATOM 1260 N ALA A 81 4.153 -4.518 4.574 1.00 0.00 N ATOM 1261 CA ALA A 81 4.255 -3.712 5.752 1.00 0.00 C ATOM 1262 C ALA A 81 5.490 -4.127 6.498 1.00 0.00 C ATOM 1263 O ALA A 81 5.782 -5.325 6.600 1.00 0.00 O ATOM 1264 CB ALA A 81 3.019 -3.868 6.621 1.00 0.00 C ATOM 0 H ALA A 81 3.840 -5.474 4.743 1.00 0.00 H new ATOM 0 HA ALA A 81 4.325 -2.659 5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.119 -3.246 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.138 -3.559 6.059 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.912 -4.911 6.918 1.00 0.00 H new ATOM 1270 N VAL A 82 6.243 -3.183 6.953 1.00 0.00 N ATOM 1271 CA VAL A 82 7.419 -3.487 7.690 1.00 0.00 C ATOM 1272 C VAL A 82 7.741 -2.412 8.693 1.00 0.00 C ATOM 1273 O VAL A 82 7.566 -1.208 8.422 1.00 0.00 O ATOM 1274 CB VAL A 82 8.622 -3.708 6.734 1.00 0.00 C ATOM 1275 CG1 VAL A 82 8.910 -2.491 5.902 1.00 0.00 C ATOM 1276 CG2 VAL A 82 9.864 -4.124 7.475 1.00 0.00 C ATOM 0 H VAL A 82 6.062 -2.187 6.825 1.00 0.00 H new ATOM 0 HA VAL A 82 7.230 -4.409 8.239 1.00 0.00 H new ATOM 0 HB VAL A 82 8.331 -4.520 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.759 -2.690 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.036 -2.248 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.145 -1.651 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.680 -4.267 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.137 -3.349 8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.676 -5.058 8.005 1.00 0.00 H new ATOM 1286 N ASP A 83 8.146 -2.838 9.859 1.00 0.00 N ATOM 1287 CA ASP A 83 8.648 -1.977 10.816 1.00 0.00 C ATOM 1288 C ASP A 83 10.147 -1.928 10.625 1.00 0.00 C ATOM 1289 O ASP A 83 10.850 -2.938 10.729 1.00 0.00 O ATOM 1290 CB ASP A 83 8.264 -2.437 12.218 1.00 0.00 C ATOM 1291 CG ASP A 83 8.893 -3.736 12.690 1.00 0.00 C ATOM 1292 OD1 ASP A 83 8.487 -4.823 12.225 1.00 0.00 O ATOM 1293 OD2 ASP A 83 9.770 -3.680 13.578 1.00 0.00 O ATOM 0 H ASP A 83 8.123 -3.817 10.145 1.00 0.00 H new ATOM 0 HA ASP A 83 8.227 -0.978 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.532 -1.650 12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.180 -2.546 12.259 1.00 0.00 H new ATOM 1298 N VAL A 84 10.632 -0.771 10.317 1.00 0.00 N ATOM 1299 CA VAL A 84 12.034 -0.583 10.003 1.00 0.00 C ATOM 1300 C VAL A 84 12.913 -0.699 11.248 1.00 0.00 C ATOM 1301 O VAL A 84 14.144 -0.726 11.155 1.00 0.00 O ATOM 1302 CB VAL A 84 12.276 0.767 9.306 1.00 0.00 C ATOM 1303 CG1 VAL A 84 11.504 0.841 7.994 1.00 0.00 C ATOM 1304 CG2 VAL A 84 11.890 1.914 10.213 1.00 0.00 C ATOM 0 H VAL A 84 10.075 0.083 10.272 1.00 0.00 H new ATOM 0 HA VAL A 84 12.314 -1.382 9.316 1.00 0.00 H new ATOM 0 HB VAL A 84 13.340 0.849 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.689 1.803 7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.833 0.039 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.438 0.733 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.069 2.859 9.701 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.834 1.835 10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.489 1.876 11.123 1.00 0.00 H new ATOM 1314 N THR A 85 12.270 -0.792 12.397 1.00 0.00 N ATOM 1315 CA THR A 85 12.927 -0.917 13.676 1.00 0.00 C ATOM 1316 C THR A 85 13.670 -2.261 13.775 1.00 0.00 C ATOM 1317 O THR A 85 14.658 -2.393 14.507 1.00 0.00 O ATOM 1318 CB THR A 85 11.873 -0.830 14.791 1.00 0.00 C ATOM 1319 OG1 THR A 85 11.072 0.331 14.559 1.00 0.00 O ATOM 1320 CG2 THR A 85 12.529 -0.716 16.164 1.00 0.00 C ATOM 0 H THR A 85 11.252 -0.782 12.464 1.00 0.00 H new ATOM 0 HA THR A 85 13.653 -0.111 13.782 1.00 0.00 H new ATOM 0 HB THR A 85 11.267 -1.736 14.778 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.391 0.404 15.260 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.758 -0.656 16.932 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.152 -1.592 16.343 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.146 0.182 16.199 1.00 0.00 H new ATOM 1328 N GLY A 86 13.220 -3.242 13.013 1.00 0.00 N ATOM 1329 CA GLY A 86 13.845 -4.533 13.073 1.00 0.00 C ATOM 1330 C GLY A 86 15.024 -4.649 12.138 1.00 0.00 C ATOM 1331 O GLY A 86 15.732 -5.666 12.142 1.00 0.00 O ATOM 0 H GLY A 86 12.440 -3.165 12.361 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.175 -4.726 14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.112 -5.300 12.824 1.00 0.00 H new ATOM 1335 N GLY A 87 15.242 -3.606 11.338 1.00 0.00 N ATOM 1336 CA GLY A 87 16.369 -3.563 10.409 1.00 0.00 C ATOM 1337 C GLY A 87 16.200 -4.464 9.202 1.00 0.00 C ATOM 1338 O GLY A 87 16.991 -4.411 8.265 1.00 0.00 O ATOM 0 H GLY A 87 14.649 -2.776 11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.508 -2.537 10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.277 -3.849 10.940 1.00 0.00 H new ATOM 1342 N ASN A 88 15.195 -5.287 9.229 1.00 0.00 N ATOM 1343 CA ASN A 88 14.934 -6.210 8.167 1.00 0.00 C ATOM 1344 C ASN A 88 13.860 -5.689 7.261 1.00 0.00 C ATOM 1345 O ASN A 88 12.964 -4.977 7.710 1.00 0.00 O ATOM 1346 CB ASN A 88 14.518 -7.589 8.705 1.00 0.00 C ATOM 1347 CG ASN A 88 13.231 -7.591 9.545 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.913 -6.638 10.270 1.00 0.00 O ATOM 1349 ND2 ASN A 88 12.471 -8.647 9.431 1.00 0.00 N ATOM 0 H ASN A 88 14.526 -5.337 9.998 1.00 0.00 H new ATOM 0 HA ASN A 88 15.862 -6.320 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 88 14.386 -8.268 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.332 -7.988 9.311 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.592 -8.701 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.756 -9.418 8.827 1.00 0.00 H new ATOM 1356 N GLU A 89 13.970 -6.034 5.980 1.00 0.00 N ATOM 1357 CA GLU A 89 12.972 -5.692 4.959 1.00 0.00 C ATOM 1358 C GLU A 89 12.837 -4.168 4.778 1.00 0.00 C ATOM 1359 O GLU A 89 11.812 -3.676 4.284 1.00 0.00 O ATOM 1360 CB GLU A 89 11.617 -6.330 5.321 1.00 0.00 C ATOM 1361 CG GLU A 89 11.629 -7.849 5.363 1.00 0.00 C ATOM 1362 CD GLU A 89 11.961 -8.465 4.032 1.00 0.00 C ATOM 1363 OE1 GLU A 89 13.154 -8.650 3.730 1.00 0.00 O ATOM 1364 OE2 GLU A 89 11.029 -8.796 3.272 1.00 0.00 O ATOM 0 H GLU A 89 14.761 -6.564 5.614 1.00 0.00 H new ATOM 0 HA GLU A 89 13.310 -6.094 4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.301 -5.954 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.871 -6.005 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.356 -8.182 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.653 -8.207 5.691 1.00 0.00 H new ATOM 1371 N ASP A 90 13.894 -3.458 5.121 1.00 0.00 N ATOM 1372 CA ASP A 90 13.941 -2.005 5.038 1.00 0.00 C ATOM 1373 C ASP A 90 14.222 -1.598 3.595 1.00 0.00 C ATOM 1374 O ASP A 90 13.276 -1.247 2.861 1.00 0.00 O ATOM 1375 CB ASP A 90 15.049 -1.467 5.977 1.00 0.00 C ATOM 1376 CG ASP A 90 15.130 0.058 6.053 1.00 0.00 C ATOM 1377 OD1 ASP A 90 15.679 0.698 5.123 1.00 0.00 O ATOM 1378 OD2 ASP A 90 14.699 0.633 7.073 1.00 0.00 O ATOM 0 H ASP A 90 14.757 -3.876 5.470 1.00 0.00 H new ATOM 0 HA ASP A 90 12.986 -1.582 5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.880 -1.860 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.011 -1.853 5.641 1.00 0.00 H new TER 1383 ASP A 90