USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 582 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.438 K(o=-0.44,f=0.54) USER MOD Set 2.1: A 16 THR OG1 : rot 38:sc= 0.515 USER MOD Set 2.2: A 20 CYS SG : rot 91:sc= 0.543 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.21 K(o=0.71,f=1.7) USER MOD Set 3.2: A 35 THR OG1 : rot -72:sc= 0.501 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.907 (180deg=0.609) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 1.19 (180deg=0.983) USER MOD Single : A 10 MET CE :methyl -123:sc= -0.13 (180deg=-0.813) USER MOD Single : A 11 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.697 (180deg=-0.697) USER MOD Single : A 17 CYS SG : rot -29:sc= 0.258 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0.767 (180deg=-0.516!) USER MOD Single : A 31 MET CE :methyl 155:sc=-0.00853 (180deg=-0.897) USER MOD Single : A 38 ASN : amide:sc= 0.985 K(o=0.98,f=-0.017) USER MOD Single : A 40 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.88) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00744 USER MOD Single : A 45 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 47 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.198 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.725 USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 1.23 (180deg=1.07) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.740 -0.882 -25.685 1.00 4.57 N ATOM 2 CA MET A 1 7.896 0.008 -25.903 1.00 3.76 C ATOM 3 C MET A 1 8.074 0.916 -24.692 1.00 2.91 C ATOM 4 O MET A 1 8.906 0.635 -23.838 1.00 3.41 O ATOM 5 CB MET A 1 7.771 0.830 -27.198 1.00 4.55 C ATOM 6 CG MET A 1 8.084 0.005 -28.448 1.00 5.69 C ATOM 7 SD MET A 1 6.868 -1.266 -28.860 1.00 6.84 S ATOM 8 CE MET A 1 7.726 -2.053 -30.244 1.00 8.09 C ATOM 0 H1 MET A 1 6.429 -1.276 -26.596 1.00 4.57 H new ATOM 0 H2 MET A 1 7.014 -1.657 -25.048 1.00 4.57 H new ATOM 0 H3 MET A 1 5.961 -0.341 -25.257 1.00 4.57 H new ATOM 0 HA MET A 1 8.782 -0.616 -26.022 1.00 3.76 H new ATOM 0 HB2 MET A 1 6.760 1.230 -27.274 1.00 4.55 H new ATOM 0 HB3 MET A 1 8.448 1.683 -27.150 1.00 4.55 H new ATOM 0 HG2 MET A 1 8.178 0.683 -29.296 1.00 5.69 H new ATOM 0 HG3 MET A 1 9.054 -0.474 -28.314 1.00 5.69 H new ATOM 0 HE1 MET A 1 7.118 -2.871 -30.631 1.00 8.09 H new ATOM 0 HE2 MET A 1 7.893 -1.320 -31.033 1.00 8.09 H new ATOM 0 HE3 MET A 1 8.685 -2.444 -29.903 1.00 8.09 H new ATOM 20 N LEU A 2 7.268 1.976 -24.614 1.00 2.80 N ATOM 21 CA LEU A 2 7.207 2.821 -23.433 1.00 2.85 C ATOM 22 C LEU A 2 6.640 2.013 -22.259 1.00 2.14 C ATOM 23 O LEU A 2 6.092 0.931 -22.474 1.00 2.48 O ATOM 24 CB LEU A 2 6.351 4.064 -23.726 1.00 4.03 C ATOM 25 CG LEU A 2 6.895 4.892 -24.910 1.00 5.36 C ATOM 26 CD1 LEU A 2 6.071 4.675 -26.188 1.00 5.71 C ATOM 27 CD2 LEU A 2 6.876 6.385 -24.570 1.00 6.87 C ATOM 0 H LEU A 2 6.644 2.267 -25.367 1.00 2.80 H new ATOM 0 HA LEU A 2 8.207 3.160 -23.164 1.00 2.85 H new ATOM 0 HB2 LEU A 2 5.329 3.754 -23.943 1.00 4.03 H new ATOM 0 HB3 LEU A 2 6.311 4.692 -22.836 1.00 4.03 H new ATOM 0 HG LEU A 2 7.916 4.555 -25.088 1.00 5.36 H new ATOM 0 HD11 LEU A 2 6.488 5.276 -26.996 1.00 5.71 H new ATOM 0 HD12 LEU A 2 6.102 3.622 -26.466 1.00 5.71 H new ATOM 0 HD13 LEU A 2 5.038 4.973 -26.010 1.00 5.71 H new ATOM 0 HD21 LEU A 2 7.262 6.955 -25.415 1.00 6.87 H new ATOM 0 HD22 LEU A 2 5.853 6.697 -24.359 1.00 6.87 H new ATOM 0 HD23 LEU A 2 7.499 6.567 -23.694 1.00 6.87 H new ATOM 39 N SER A 3 6.783 2.555 -21.048 1.00 1.89 N ATOM 40 CA SER A 3 6.153 2.059 -19.832 1.00 1.33 C ATOM 41 C SER A 3 5.071 3.056 -19.425 1.00 1.09 C ATOM 42 O SER A 3 5.153 4.230 -19.791 1.00 1.39 O ATOM 43 CB SER A 3 7.196 1.950 -18.710 1.00 1.48 C ATOM 44 OG SER A 3 8.310 1.189 -19.136 1.00 2.59 O ATOM 0 H SER A 3 7.361 3.379 -20.886 1.00 1.89 H new ATOM 0 HA SER A 3 5.722 1.073 -20.006 1.00 1.33 H new ATOM 0 HB2 SER A 3 7.522 2.946 -18.412 1.00 1.48 H new ATOM 0 HB3 SER A 3 6.746 1.486 -17.832 1.00 1.48 H new ATOM 0 HG SER A 3 8.964 1.132 -18.409 1.00 2.59 H new ATOM 50 N GLU A 4 4.101 2.609 -18.630 1.00 0.76 N ATOM 51 CA GLU A 4 3.066 3.434 -18.051 1.00 0.54 C ATOM 52 C GLU A 4 2.739 2.848 -16.681 1.00 0.45 C ATOM 53 O GLU A 4 2.865 1.644 -16.463 1.00 0.66 O ATOM 54 CB GLU A 4 1.835 3.512 -18.967 1.00 0.65 C ATOM 55 CG GLU A 4 1.369 2.153 -19.519 1.00 1.45 C ATOM 56 CD GLU A 4 2.167 1.718 -20.743 1.00 2.83 C ATOM 57 OE1 GLU A 4 1.962 2.348 -21.802 1.00 3.46 O ATOM 58 OE2 GLU A 4 2.965 0.767 -20.596 1.00 4.13 O ATOM 0 H GLU A 4 4.019 1.627 -18.368 1.00 0.76 H new ATOM 0 HA GLU A 4 3.406 4.463 -17.938 1.00 0.54 H new ATOM 0 HB2 GLU A 4 1.013 3.967 -18.414 1.00 0.65 H new ATOM 0 HB3 GLU A 4 2.061 4.173 -19.804 1.00 0.65 H new ATOM 0 HG2 GLU A 4 1.462 1.396 -18.740 1.00 1.45 H new ATOM 0 HG3 GLU A 4 0.312 2.213 -19.780 1.00 1.45 H new ATOM 65 N GLN A 5 2.348 3.726 -15.763 1.00 0.31 N ATOM 66 CA GLN A 5 2.135 3.407 -14.365 1.00 0.25 C ATOM 67 C GLN A 5 0.645 3.384 -14.037 1.00 0.24 C ATOM 68 O GLN A 5 -0.172 3.793 -14.864 1.00 0.29 O ATOM 69 CB GLN A 5 2.906 4.420 -13.521 1.00 0.28 C ATOM 70 CG GLN A 5 2.304 5.834 -13.548 1.00 0.23 C ATOM 71 CD GLN A 5 3.102 6.773 -12.655 1.00 0.35 C ATOM 72 OE1 GLN A 5 3.460 7.876 -13.049 1.00 0.70 O ATOM 73 NE2 GLN A 5 3.375 6.326 -11.436 1.00 0.54 N ATOM 0 H GLN A 5 2.167 4.705 -15.982 1.00 0.31 H new ATOM 0 HA GLN A 5 2.509 2.408 -14.139 1.00 0.25 H new ATOM 0 HB2 GLN A 5 2.940 4.069 -12.490 1.00 0.28 H new ATOM 0 HB3 GLN A 5 3.936 4.466 -13.876 1.00 0.28 H new ATOM 0 HG2 GLN A 5 2.298 6.213 -14.570 1.00 0.23 H new ATOM 0 HG3 GLN A 5 1.267 5.800 -13.214 1.00 0.23 H new ATOM 0 HE21 GLN A 5 3.057 5.400 -11.149 1.00 0.54 H new ATOM 0 HE22 GLN A 5 3.903 6.908 -10.786 1.00 0.54 H new ATOM 82 N LYS A 6 0.271 2.942 -12.830 1.00 0.25 N ATOM 83 CA LYS A 6 -1.135 2.881 -12.459 1.00 0.26 C ATOM 84 C LYS A 6 -1.327 2.959 -10.951 1.00 0.21 C ATOM 85 O LYS A 6 -0.417 2.689 -10.167 1.00 0.21 O ATOM 86 CB LYS A 6 -1.786 1.614 -13.050 1.00 0.34 C ATOM 87 CG LYS A 6 -2.781 1.938 -14.172 1.00 0.56 C ATOM 88 CD LYS A 6 -4.234 1.981 -13.661 1.00 1.34 C ATOM 89 CE LYS A 6 -5.124 2.922 -14.487 1.00 2.15 C ATOM 90 NZ LYS A 6 -4.907 4.343 -14.146 1.00 3.73 N ATOM 0 H LYS A 6 0.918 2.627 -12.107 1.00 0.25 H new ATOM 0 HA LYS A 6 -1.635 3.753 -12.881 1.00 0.26 H new ATOM 0 HB2 LYS A 6 -1.008 0.955 -13.437 1.00 0.34 H new ATOM 0 HB3 LYS A 6 -2.300 1.069 -12.258 1.00 0.34 H new ATOM 0 HG2 LYS A 6 -2.525 2.899 -14.617 1.00 0.56 H new ATOM 0 HG3 LYS A 6 -2.696 1.189 -14.959 1.00 0.56 H new ATOM 0 HD2 LYS A 6 -4.654 0.975 -13.686 1.00 1.34 H new ATOM 0 HD3 LYS A 6 -4.239 2.303 -12.620 1.00 1.34 H new ATOM 0 HE2 LYS A 6 -4.923 2.771 -15.548 1.00 2.15 H new ATOM 0 HE3 LYS A 6 -6.171 2.667 -14.321 1.00 2.15 H new ATOM 0 HZ1 LYS A 6 -5.234 4.942 -14.930 1.00 3.73 H new ATOM 0 HZ2 LYS A 6 -5.440 4.579 -13.285 1.00 3.73 H new ATOM 0 HZ3 LYS A 6 -3.894 4.510 -13.982 1.00 3.73 H new ATOM 104 N GLU A 7 -2.556 3.330 -10.590 1.00 0.23 N ATOM 105 CA GLU A 7 -3.085 3.277 -9.248 1.00 0.27 C ATOM 106 C GLU A 7 -3.607 1.862 -8.995 1.00 0.32 C ATOM 107 O GLU A 7 -4.267 1.281 -9.856 1.00 0.56 O ATOM 108 CB GLU A 7 -4.175 4.350 -9.092 1.00 0.35 C ATOM 109 CG GLU A 7 -5.377 4.186 -10.041 1.00 0.64 C ATOM 110 CD GLU A 7 -5.752 5.490 -10.726 1.00 1.22 C ATOM 111 OE1 GLU A 7 -6.013 6.473 -10.005 1.00 2.33 O ATOM 112 OE2 GLU A 7 -5.735 5.473 -11.978 1.00 2.49 O ATOM 0 H GLU A 7 -3.232 3.690 -11.264 1.00 0.23 H new ATOM 0 HA GLU A 7 -2.318 3.491 -8.504 1.00 0.27 H new ATOM 0 HB2 GLU A 7 -4.536 4.335 -8.064 1.00 0.35 H new ATOM 0 HB3 GLU A 7 -3.728 5.330 -9.259 1.00 0.35 H new ATOM 0 HG2 GLU A 7 -5.141 3.436 -10.796 1.00 0.64 H new ATOM 0 HG3 GLU A 7 -6.233 3.814 -9.478 1.00 0.64 H new ATOM 119 N ILE A 8 -3.300 1.308 -7.824 1.00 0.24 N ATOM 120 CA ILE A 8 -4.004 0.168 -7.266 1.00 0.24 C ATOM 121 C ILE A 8 -4.796 0.708 -6.078 1.00 0.21 C ATOM 122 O ILE A 8 -4.353 1.674 -5.455 1.00 0.25 O ATOM 123 CB ILE A 8 -2.995 -0.929 -6.867 1.00 0.28 C ATOM 124 CG1 ILE A 8 -3.547 -2.344 -7.077 1.00 0.46 C ATOM 125 CG2 ILE A 8 -2.512 -0.781 -5.420 1.00 0.40 C ATOM 126 CD1 ILE A 8 -3.501 -2.730 -8.559 1.00 1.09 C ATOM 0 H ILE A 8 -2.543 1.648 -7.231 1.00 0.24 H new ATOM 0 HA ILE A 8 -4.682 -0.300 -7.979 1.00 0.24 H new ATOM 0 HB ILE A 8 -2.145 -0.789 -7.534 1.00 0.28 H new ATOM 0 HG12 ILE A 8 -2.965 -3.057 -6.492 1.00 0.46 H new ATOM 0 HG13 ILE A 8 -4.574 -2.397 -6.714 1.00 0.46 H new ATOM 0 HG21 ILE A 8 -1.804 -1.577 -5.189 1.00 0.40 H new ATOM 0 HG22 ILE A 8 -2.024 0.186 -5.296 1.00 0.40 H new ATOM 0 HG23 ILE A 8 -3.364 -0.846 -4.744 1.00 0.40 H new ATOM 0 HD11 ILE A 8 -3.897 -3.738 -8.685 1.00 1.09 H new ATOM 0 HD12 ILE A 8 -4.103 -2.028 -9.137 1.00 1.09 H new ATOM 0 HD13 ILE A 8 -2.470 -2.699 -8.911 1.00 1.09 H new ATOM 138 N ALA A 9 -5.929 0.078 -5.764 1.00 0.24 N ATOM 139 CA ALA A 9 -6.775 0.400 -4.624 1.00 0.31 C ATOM 140 C ALA A 9 -7.279 -0.911 -4.031 1.00 0.34 C ATOM 141 O ALA A 9 -7.811 -1.735 -4.773 1.00 0.39 O ATOM 142 CB ALA A 9 -7.935 1.297 -5.058 1.00 0.41 C ATOM 0 H ALA A 9 -6.292 -0.697 -6.319 1.00 0.24 H new ATOM 0 HA ALA A 9 -6.211 0.950 -3.871 1.00 0.31 H new ATOM 0 HB1 ALA A 9 -8.558 1.529 -4.194 1.00 0.41 H new ATOM 0 HB2 ALA A 9 -7.542 2.222 -5.480 1.00 0.41 H new ATOM 0 HB3 ALA A 9 -8.533 0.781 -5.809 1.00 0.41 H new ATOM 148 N MET A 10 -7.029 -1.145 -2.740 1.00 0.33 N ATOM 149 CA MET A 10 -7.276 -2.435 -2.112 1.00 0.35 C ATOM 150 C MET A 10 -7.432 -2.267 -0.594 1.00 0.35 C ATOM 151 O MET A 10 -7.174 -1.189 -0.064 1.00 0.38 O ATOM 152 CB MET A 10 -6.112 -3.361 -2.470 1.00 0.39 C ATOM 153 CG MET A 10 -4.799 -2.798 -1.921 1.00 0.40 C ATOM 154 SD MET A 10 -3.282 -3.534 -2.566 1.00 1.08 S ATOM 155 CE MET A 10 -2.123 -2.241 -2.068 1.00 0.76 C ATOM 0 H MET A 10 -6.650 -0.442 -2.105 1.00 0.33 H new ATOM 0 HA MET A 10 -8.206 -2.873 -2.475 1.00 0.35 H new ATOM 0 HB2 MET A 10 -6.289 -4.355 -2.060 1.00 0.39 H new ATOM 0 HB3 MET A 10 -6.045 -3.470 -3.552 1.00 0.39 H new ATOM 0 HG2 MET A 10 -4.774 -1.728 -2.125 1.00 0.40 H new ATOM 0 HG3 MET A 10 -4.803 -2.916 -0.837 1.00 0.40 H new ATOM 0 HE1 MET A 10 -1.593 -1.870 -2.945 1.00 0.76 H new ATOM 0 HE2 MET A 10 -2.670 -1.422 -1.601 1.00 0.76 H new ATOM 0 HE3 MET A 10 -1.405 -2.650 -1.357 1.00 0.76 H new ATOM 165 N GLN A 11 -7.822 -3.335 0.107 1.00 0.36 N ATOM 166 CA GLN A 11 -8.196 -3.304 1.519 1.00 0.36 C ATOM 167 C GLN A 11 -7.057 -3.855 2.377 1.00 0.34 C ATOM 168 O GLN A 11 -6.295 -4.712 1.924 1.00 0.40 O ATOM 169 CB GLN A 11 -9.504 -4.074 1.773 1.00 0.46 C ATOM 170 CG GLN A 11 -10.696 -3.602 0.925 1.00 0.43 C ATOM 171 CD GLN A 11 -10.537 -3.853 -0.575 1.00 1.29 C ATOM 172 OE1 GLN A 11 -10.871 -2.997 -1.387 1.00 3.20 O ATOM 173 NE2 GLN A 11 -9.981 -5.001 -0.962 1.00 0.55 N ATOM 0 H GLN A 11 -7.887 -4.266 -0.304 1.00 0.36 H new ATOM 0 HA GLN A 11 -8.374 -2.266 1.802 1.00 0.36 H new ATOM 0 HB2 GLN A 11 -9.332 -5.132 1.577 1.00 0.46 H new ATOM 0 HB3 GLN A 11 -9.766 -3.983 2.827 1.00 0.46 H new ATOM 0 HG2 GLN A 11 -11.597 -4.107 1.273 1.00 0.43 H new ATOM 0 HG3 GLN A 11 -10.845 -2.535 1.090 1.00 0.43 H new ATOM 0 HE21 GLN A 11 -9.712 -5.697 -0.267 1.00 0.55 H new ATOM 0 HE22 GLN A 11 -9.825 -5.183 -1.953 1.00 0.55 H new ATOM 182 N VAL A 12 -6.944 -3.365 3.615 1.00 0.37 N ATOM 183 CA VAL A 12 -5.893 -3.761 4.551 1.00 0.34 C ATOM 184 C VAL A 12 -6.520 -4.399 5.790 1.00 0.40 C ATOM 185 O VAL A 12 -7.731 -4.330 5.979 1.00 0.78 O ATOM 186 CB VAL A 12 -4.991 -2.559 4.900 1.00 0.39 C ATOM 187 CG1 VAL A 12 -3.566 -2.989 5.266 1.00 0.37 C ATOM 188 CG2 VAL A 12 -4.861 -1.580 3.735 1.00 0.44 C ATOM 0 H VAL A 12 -7.589 -2.674 3.998 1.00 0.37 H new ATOM 0 HA VAL A 12 -5.251 -4.507 4.083 1.00 0.34 H new ATOM 0 HB VAL A 12 -5.479 -2.084 5.751 1.00 0.39 H new ATOM 0 HG11 VAL A 12 -2.970 -2.108 5.504 1.00 0.37 H new ATOM 0 HG12 VAL A 12 -3.597 -3.651 6.132 1.00 0.37 H new ATOM 0 HG13 VAL A 12 -3.117 -3.515 4.423 1.00 0.37 H new ATOM 0 HG21 VAL A 12 -4.217 -0.750 4.027 1.00 0.44 H new ATOM 0 HG22 VAL A 12 -4.426 -2.092 2.876 1.00 0.44 H new ATOM 0 HG23 VAL A 12 -5.847 -1.198 3.469 1.00 0.44 H new ATOM 198 N SER A 13 -5.703 -5.038 6.629 1.00 0.31 N ATOM 199 CA SER A 13 -6.123 -5.635 7.883 1.00 0.38 C ATOM 200 C SER A 13 -5.098 -5.287 8.963 1.00 0.45 C ATOM 201 O SER A 13 -3.901 -5.474 8.742 1.00 0.67 O ATOM 202 CB SER A 13 -6.230 -7.151 7.692 1.00 0.58 C ATOM 203 OG SER A 13 -7.163 -7.697 8.601 1.00 0.77 O ATOM 0 H SER A 13 -4.707 -5.154 6.444 1.00 0.31 H new ATOM 0 HA SER A 13 -7.096 -5.252 8.192 1.00 0.38 H new ATOM 0 HB2 SER A 13 -6.535 -7.375 6.670 1.00 0.58 H new ATOM 0 HB3 SER A 13 -5.254 -7.613 7.842 1.00 0.58 H new ATOM 0 HG SER A 13 -7.222 -8.666 8.466 1.00 0.77 H new ATOM 209 N GLY A 14 -5.571 -4.782 10.111 1.00 0.43 N ATOM 210 CA GLY A 14 -4.769 -4.551 11.309 1.00 0.63 C ATOM 211 C GLY A 14 -4.618 -3.069 11.671 1.00 0.79 C ATOM 212 O GLY A 14 -4.256 -2.754 12.801 1.00 1.41 O ATOM 0 H GLY A 14 -6.549 -4.518 10.230 1.00 0.43 H new ATOM 0 HA2 GLY A 14 -5.225 -5.077 12.148 1.00 0.63 H new ATOM 0 HA3 GLY A 14 -3.779 -4.983 11.162 1.00 0.63 H new ATOM 216 N MET A 15 -4.880 -2.153 10.731 1.00 0.72 N ATOM 217 CA MET A 15 -4.796 -0.713 10.969 1.00 0.91 C ATOM 218 C MET A 15 -5.628 -0.276 12.182 1.00 0.96 C ATOM 219 O MET A 15 -6.839 -0.474 12.208 1.00 0.88 O ATOM 220 CB MET A 15 -5.229 0.047 9.704 1.00 1.17 C ATOM 221 CG MET A 15 -6.680 -0.256 9.290 1.00 0.97 C ATOM 222 SD MET A 15 -6.885 -0.680 7.552 1.00 2.53 S ATOM 223 CE MET A 15 -8.292 -1.791 7.698 1.00 3.09 C ATOM 0 H MET A 15 -5.158 -2.395 9.780 1.00 0.72 H new ATOM 0 HA MET A 15 -3.758 -0.470 11.198 1.00 0.91 H new ATOM 0 HB2 MET A 15 -5.122 1.118 9.875 1.00 1.17 H new ATOM 0 HB3 MET A 15 -4.561 -0.213 8.883 1.00 1.17 H new ATOM 0 HG2 MET A 15 -7.054 -1.079 9.899 1.00 0.97 H new ATOM 0 HG3 MET A 15 -7.298 0.613 9.515 1.00 0.97 H new ATOM 0 HE1 MET A 15 -8.568 -2.160 6.710 1.00 3.09 H new ATOM 0 HE2 MET A 15 -8.027 -2.632 8.339 1.00 3.09 H new ATOM 0 HE3 MET A 15 -9.135 -1.255 8.134 1.00 3.09 H new ATOM 233 N THR A 16 -5.001 0.378 13.163 1.00 1.58 N ATOM 234 CA THR A 16 -5.690 0.935 14.319 1.00 1.83 C ATOM 235 C THR A 16 -5.988 2.428 14.108 1.00 1.15 C ATOM 236 O THR A 16 -6.046 3.197 15.065 1.00 1.53 O ATOM 237 CB THR A 16 -4.833 0.659 15.561 1.00 2.87 C ATOM 238 OG1 THR A 16 -3.498 1.035 15.304 1.00 3.65 O ATOM 239 CG2 THR A 16 -4.820 -0.836 15.886 1.00 3.39 C ATOM 0 H THR A 16 -3.993 0.535 13.173 1.00 1.58 H new ATOM 0 HA THR A 16 -6.661 0.461 14.460 1.00 1.83 H new ATOM 0 HB THR A 16 -5.255 1.225 16.392 1.00 2.87 H new ATOM 0 HG1 THR A 16 -3.487 1.854 14.766 1.00 3.65 H new ATOM 0 HG21 THR A 16 -4.207 -1.011 16.770 1.00 3.39 H new ATOM 0 HG22 THR A 16 -5.838 -1.176 16.077 1.00 3.39 H new ATOM 0 HG23 THR A 16 -4.406 -1.388 15.042 1.00 3.39 H new ATOM 247 N CYS A 17 -6.194 2.837 12.853 1.00 0.87 N ATOM 248 CA CYS A 17 -6.603 4.183 12.471 1.00 1.63 C ATOM 249 C CYS A 17 -5.469 5.197 12.685 1.00 1.65 C ATOM 250 O CYS A 17 -4.295 4.812 12.721 1.00 2.10 O ATOM 251 CB CYS A 17 -7.957 4.544 13.105 1.00 2.43 C ATOM 252 SG CYS A 17 -8.846 5.689 12.017 1.00 3.92 S ATOM 0 H CYS A 17 -6.076 2.217 12.052 1.00 0.87 H new ATOM 0 HA CYS A 17 -6.786 4.221 11.397 1.00 1.63 H new ATOM 0 HB2 CYS A 17 -8.549 3.642 13.263 1.00 2.43 H new ATOM 0 HB3 CYS A 17 -7.803 5.000 14.083 1.00 2.43 H new ATOM 0 HG CYS A 17 -7.991 6.397 11.341 1.00 3.92 H new ATOM 258 N ALA A 18 -5.783 6.495 12.777 1.00 1.81 N ATOM 259 CA ALA A 18 -4.803 7.568 12.834 1.00 2.09 C ATOM 260 C ALA A 18 -3.731 7.378 11.750 1.00 2.11 C ATOM 261 O ALA A 18 -4.047 7.013 10.618 1.00 3.71 O ATOM 262 CB ALA A 18 -4.249 7.679 14.262 1.00 2.29 C ATOM 0 H ALA A 18 -6.747 6.827 12.814 1.00 1.81 H new ATOM 0 HA ALA A 18 -5.270 8.527 12.609 1.00 2.09 H new ATOM 0 HB1 ALA A 18 -3.514 8.483 14.306 1.00 2.29 H new ATOM 0 HB2 ALA A 18 -5.064 7.894 14.953 1.00 2.29 H new ATOM 0 HB3 ALA A 18 -3.775 6.739 14.542 1.00 2.29 H new ATOM 268 N ALA A 19 -2.456 7.587 12.087 1.00 1.14 N ATOM 269 CA ALA A 19 -1.371 7.527 11.120 1.00 0.95 C ATOM 270 C ALA A 19 -0.941 6.090 10.784 1.00 0.72 C ATOM 271 O ALA A 19 0.078 5.912 10.117 1.00 0.69 O ATOM 272 CB ALA A 19 -0.185 8.333 11.662 1.00 1.08 C ATOM 0 H ALA A 19 -2.153 7.802 13.037 1.00 1.14 H new ATOM 0 HA ALA A 19 -1.730 7.957 10.185 1.00 0.95 H new ATOM 0 HB1 ALA A 19 0.637 8.297 10.947 1.00 1.08 H new ATOM 0 HB2 ALA A 19 -0.488 9.369 11.814 1.00 1.08 H new ATOM 0 HB3 ALA A 19 0.141 7.907 12.611 1.00 1.08 H new ATOM 278 N CYS A 20 -1.659 5.056 11.244 1.00 0.73 N ATOM 279 CA CYS A 20 -1.102 3.705 11.221 1.00 0.73 C ATOM 280 C CYS A 20 -0.978 3.208 9.784 1.00 0.58 C ATOM 281 O CYS A 20 0.123 2.944 9.300 1.00 0.54 O ATOM 282 CB CYS A 20 -1.918 2.751 12.098 1.00 0.92 C ATOM 283 SG CYS A 20 -1.754 3.275 13.823 1.00 1.45 S ATOM 0 H CYS A 20 -2.602 5.129 11.626 1.00 0.73 H new ATOM 0 HA CYS A 20 -0.099 3.734 11.647 1.00 0.73 H new ATOM 0 HB2 CYS A 20 -2.965 2.762 11.797 1.00 0.92 H new ATOM 0 HB3 CYS A 20 -1.562 1.728 11.977 1.00 0.92 H new ATOM 0 HG CYS A 20 -2.702 4.116 14.113 1.00 1.45 H new ATOM 289 N ALA A 21 -2.100 3.129 9.067 1.00 0.56 N ATOM 290 CA ALA A 21 -2.072 2.736 7.665 1.00 0.57 C ATOM 291 C ALA A 21 -1.306 3.737 6.797 1.00 0.44 C ATOM 292 O ALA A 21 -0.715 3.362 5.786 1.00 0.51 O ATOM 293 CB ALA A 21 -3.484 2.494 7.158 1.00 0.69 C ATOM 0 H ALA A 21 -3.030 3.331 9.434 1.00 0.56 H new ATOM 0 HA ALA A 21 -1.522 1.798 7.589 1.00 0.57 H new ATOM 0 HB1 ALA A 21 -3.449 2.201 6.109 1.00 0.69 H new ATOM 0 HB2 ALA A 21 -3.949 1.699 7.741 1.00 0.69 H new ATOM 0 HB3 ALA A 21 -4.069 3.408 7.260 1.00 0.69 H new ATOM 299 N ALA A 22 -1.272 5.008 7.207 1.00 0.36 N ATOM 300 CA ALA A 22 -0.368 5.969 6.596 1.00 0.31 C ATOM 301 C ALA A 22 1.065 5.443 6.664 1.00 0.29 C ATOM 302 O ALA A 22 1.736 5.402 5.638 1.00 0.27 O ATOM 303 CB ALA A 22 -0.508 7.352 7.238 1.00 0.38 C ATOM 0 H ALA A 22 -1.856 5.387 7.952 1.00 0.36 H new ATOM 0 HA ALA A 22 -0.635 6.090 5.546 1.00 0.31 H new ATOM 0 HB1 ALA A 22 0.181 8.047 6.759 1.00 0.38 H new ATOM 0 HB2 ALA A 22 -1.530 7.710 7.112 1.00 0.38 H new ATOM 0 HB3 ALA A 22 -0.275 7.285 8.301 1.00 0.38 H new ATOM 309 N ARG A 23 1.534 5.018 7.845 1.00 0.34 N ATOM 310 CA ARG A 23 2.846 4.391 7.963 1.00 0.33 C ATOM 311 C ARG A 23 2.957 3.128 7.105 1.00 0.30 C ATOM 312 O ARG A 23 3.968 2.972 6.416 1.00 0.33 O ATOM 313 CB ARG A 23 3.254 4.136 9.421 1.00 0.50 C ATOM 314 CG ARG A 23 3.678 5.446 10.105 1.00 0.83 C ATOM 315 CD ARG A 23 4.619 5.188 11.289 1.00 1.12 C ATOM 316 NE ARG A 23 5.326 6.422 11.670 1.00 1.88 N ATOM 317 CZ ARG A 23 6.452 6.475 12.400 1.00 2.69 C ATOM 318 NH1 ARG A 23 6.907 5.372 13.004 1.00 3.20 N ATOM 319 NH2 ARG A 23 7.123 7.628 12.514 1.00 3.64 N ATOM 0 H ARG A 23 1.023 5.099 8.724 1.00 0.34 H new ATOM 0 HA ARG A 23 3.564 5.110 7.568 1.00 0.33 H new ATOM 0 HB2 ARG A 23 2.421 3.690 9.964 1.00 0.50 H new ATOM 0 HB3 ARG A 23 4.076 3.421 9.454 1.00 0.50 H new ATOM 0 HG2 ARG A 23 4.174 6.091 9.380 1.00 0.83 H new ATOM 0 HG3 ARG A 23 2.793 5.978 10.453 1.00 0.83 H new ATOM 0 HD2 ARG A 23 4.048 4.813 12.139 1.00 1.12 H new ATOM 0 HD3 ARG A 23 5.341 4.416 11.024 1.00 1.12 H new ATOM 0 HE ARG A 23 4.929 7.307 11.354 1.00 1.88 H new ATOM 0 HH11 ARG A 23 6.399 4.493 12.910 1.00 3.20 H new ATOM 0 HH12 ARG A 23 7.762 5.410 13.559 1.00 3.20 H new ATOM 0 HH21 ARG A 23 6.779 8.467 12.046 1.00 3.64 H new ATOM 0 HH22 ARG A 23 7.978 7.668 13.069 1.00 3.64 H new ATOM 333 N ILE A 24 1.943 2.251 7.127 1.00 0.31 N ATOM 334 CA ILE A 24 1.934 1.055 6.278 1.00 0.36 C ATOM 335 C ILE A 24 2.317 1.444 4.851 1.00 0.31 C ATOM 336 O ILE A 24 3.311 0.954 4.312 1.00 0.38 O ATOM 337 CB ILE A 24 0.576 0.315 6.284 1.00 0.38 C ATOM 338 CG1 ILE A 24 0.225 -0.203 7.684 1.00 0.45 C ATOM 339 CG2 ILE A 24 0.595 -0.868 5.303 1.00 0.48 C ATOM 340 CD1 ILE A 24 -1.163 -0.859 7.732 1.00 0.55 C ATOM 0 H ILE A 24 1.121 2.349 7.723 1.00 0.31 H new ATOM 0 HA ILE A 24 2.665 0.359 6.691 1.00 0.36 H new ATOM 0 HB ILE A 24 -0.181 1.035 5.974 1.00 0.38 H new ATOM 0 HG12 ILE A 24 0.977 -0.926 8.001 1.00 0.45 H new ATOM 0 HG13 ILE A 24 0.258 0.624 8.394 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -0.370 -1.374 5.324 1.00 0.48 H new ATOM 0 HG22 ILE A 24 0.791 -0.502 4.295 1.00 0.48 H new ATOM 0 HG23 ILE A 24 1.378 -1.569 5.593 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -1.365 -1.210 8.744 1.00 0.55 H new ATOM 0 HD12 ILE A 24 -1.920 -0.130 7.443 1.00 0.55 H new ATOM 0 HD13 ILE A 24 -1.190 -1.704 7.043 1.00 0.55 H new ATOM 352 N GLU A 25 1.530 2.331 4.239 1.00 0.24 N ATOM 353 CA GLU A 25 1.755 2.645 2.840 1.00 0.23 C ATOM 354 C GLU A 25 3.057 3.442 2.684 1.00 0.30 C ATOM 355 O GLU A 25 3.836 3.200 1.775 1.00 0.49 O ATOM 356 CB GLU A 25 0.571 3.424 2.252 1.00 0.23 C ATOM 357 CG GLU A 25 0.049 2.775 0.963 1.00 0.25 C ATOM 358 CD GLU A 25 1.107 2.565 -0.108 1.00 1.90 C ATOM 359 OE1 GLU A 25 1.882 3.513 -0.343 1.00 3.58 O ATOM 360 OE2 GLU A 25 1.102 1.460 -0.687 1.00 2.35 O ATOM 0 H GLU A 25 0.756 2.828 4.679 1.00 0.24 H new ATOM 0 HA GLU A 25 1.845 1.710 2.287 1.00 0.23 H new ATOM 0 HB2 GLU A 25 -0.233 3.473 2.986 1.00 0.23 H new ATOM 0 HB3 GLU A 25 0.877 4.450 2.045 1.00 0.23 H new ATOM 0 HG2 GLU A 25 -0.396 1.811 1.210 1.00 0.25 H new ATOM 0 HG3 GLU A 25 -0.746 3.398 0.554 1.00 0.25 H new ATOM 367 N LYS A 26 3.334 4.397 3.576 1.00 0.22 N ATOM 368 CA LYS A 26 4.549 5.195 3.524 1.00 0.24 C ATOM 369 C LYS A 26 5.806 4.325 3.436 1.00 0.25 C ATOM 370 O LYS A 26 6.754 4.697 2.745 1.00 0.28 O ATOM 371 CB LYS A 26 4.599 6.116 4.740 1.00 0.28 C ATOM 372 CG LYS A 26 3.814 7.418 4.516 1.00 0.35 C ATOM 373 CD LYS A 26 4.780 8.480 3.969 1.00 0.53 C ATOM 374 CE LYS A 26 4.090 9.836 3.768 1.00 0.60 C ATOM 375 NZ LYS A 26 5.067 10.922 3.529 1.00 1.77 N ATOM 0 H LYS A 26 2.718 4.634 4.353 1.00 0.22 H new ATOM 0 HA LYS A 26 4.527 5.797 2.615 1.00 0.24 H new ATOM 0 HB2 LYS A 26 4.193 5.594 5.606 1.00 0.28 H new ATOM 0 HB3 LYS A 26 5.637 6.355 4.970 1.00 0.28 H new ATOM 0 HG2 LYS A 26 2.997 7.252 3.814 1.00 0.35 H new ATOM 0 HG3 LYS A 26 3.368 7.757 5.451 1.00 0.35 H new ATOM 0 HD2 LYS A 26 5.617 8.598 4.657 1.00 0.53 H new ATOM 0 HD3 LYS A 26 5.193 8.139 3.020 1.00 0.53 H new ATOM 0 HE2 LYS A 26 3.404 9.773 2.923 1.00 0.60 H new ATOM 0 HE3 LYS A 26 3.492 10.073 4.648 1.00 0.60 H new ATOM 0 HZ1 LYS A 26 4.561 11.821 3.398 1.00 1.77 H new ATOM 0 HZ2 LYS A 26 5.706 11.000 4.346 1.00 1.77 H new ATOM 0 HZ3 LYS A 26 5.621 10.709 2.675 1.00 1.77 H new ATOM 389 N GLY A 27 5.816 3.166 4.099 1.00 0.27 N ATOM 390 CA GLY A 27 6.847 2.163 3.869 1.00 0.32 C ATOM 391 C GLY A 27 6.989 1.857 2.374 1.00 0.35 C ATOM 392 O GLY A 27 8.078 1.939 1.805 1.00 0.38 O ATOM 0 H GLY A 27 5.121 2.903 4.798 1.00 0.27 H new ATOM 0 HA2 GLY A 27 7.799 2.517 4.264 1.00 0.32 H new ATOM 0 HA3 GLY A 27 6.598 1.250 4.409 1.00 0.32 H new ATOM 396 N LEU A 28 5.874 1.541 1.719 1.00 0.37 N ATOM 397 CA LEU A 28 5.833 1.270 0.292 1.00 0.36 C ATOM 398 C LEU A 28 6.140 2.504 -0.547 1.00 0.28 C ATOM 399 O LEU A 28 6.689 2.352 -1.631 1.00 0.25 O ATOM 400 CB LEU A 28 4.490 0.688 -0.117 1.00 0.45 C ATOM 401 CG LEU A 28 4.173 -0.635 0.580 1.00 0.53 C ATOM 402 CD1 LEU A 28 2.718 -0.941 0.250 1.00 0.61 C ATOM 403 CD2 LEU A 28 5.117 -1.762 0.141 1.00 0.48 C ATOM 0 H LEU A 28 4.964 1.466 2.174 1.00 0.37 H new ATOM 0 HA LEU A 28 6.615 0.536 0.098 1.00 0.36 H new ATOM 0 HB2 LEU A 28 3.704 1.409 0.110 1.00 0.45 H new ATOM 0 HB3 LEU A 28 4.481 0.535 -1.196 1.00 0.45 H new ATOM 0 HG LEU A 28 4.322 -0.556 1.657 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.428 -1.880 0.721 1.00 0.61 H new ATOM 0 HD12 LEU A 28 2.084 -0.137 0.622 1.00 0.61 H new ATOM 0 HD13 LEU A 28 2.600 -1.026 -0.830 1.00 0.61 H new ATOM 0 HD21 LEU A 28 4.853 -2.682 0.663 1.00 0.48 H new ATOM 0 HD22 LEU A 28 5.025 -1.916 -0.934 1.00 0.48 H new ATOM 0 HD23 LEU A 28 6.145 -1.490 0.382 1.00 0.48 H new ATOM 415 N LYS A 29 5.864 3.719 -0.061 1.00 0.28 N ATOM 416 CA LYS A 29 6.297 4.935 -0.746 1.00 0.26 C ATOM 417 C LYS A 29 7.836 4.968 -0.872 1.00 0.25 C ATOM 418 O LYS A 29 8.362 5.741 -1.670 1.00 0.31 O ATOM 419 CB LYS A 29 5.669 6.211 -0.147 1.00 0.31 C ATOM 420 CG LYS A 29 6.244 7.486 -0.795 1.00 0.43 C ATOM 421 CD LYS A 29 5.509 8.792 -0.460 1.00 0.81 C ATOM 422 CE LYS A 29 4.015 8.735 -0.809 1.00 0.90 C ATOM 423 NZ LYS A 29 3.473 10.060 -1.199 1.00 1.42 N ATOM 0 H LYS A 29 5.344 3.883 0.801 1.00 0.28 H new ATOM 0 HA LYS A 29 5.912 4.914 -1.765 1.00 0.26 H new ATOM 0 HB2 LYS A 29 4.589 6.186 -0.289 1.00 0.31 H new ATOM 0 HB3 LYS A 29 5.849 6.236 0.928 1.00 0.31 H new ATOM 0 HG2 LYS A 29 7.286 7.588 -0.490 1.00 0.43 H new ATOM 0 HG3 LYS A 29 6.240 7.355 -1.877 1.00 0.43 H new ATOM 0 HD2 LYS A 29 5.622 9.006 0.603 1.00 0.81 H new ATOM 0 HD3 LYS A 29 5.974 9.616 -1.002 1.00 0.81 H new ATOM 0 HE2 LYS A 29 3.862 8.029 -1.625 1.00 0.90 H new ATOM 0 HE3 LYS A 29 3.459 8.356 0.049 1.00 0.90 H new ATOM 0 HZ1 LYS A 29 2.472 10.120 -0.923 1.00 1.42 H new ATOM 0 HZ2 LYS A 29 4.010 10.810 -0.719 1.00 1.42 H new ATOM 0 HZ3 LYS A 29 3.556 10.180 -2.229 1.00 1.42 H new ATOM 437 N ARG A 30 8.579 4.161 -0.102 1.00 0.25 N ATOM 438 CA ARG A 30 10.019 4.009 -0.302 1.00 0.29 C ATOM 439 C ARG A 30 10.397 2.956 -1.360 1.00 0.29 C ATOM 440 O ARG A 30 11.577 2.850 -1.690 1.00 0.40 O ATOM 441 CB ARG A 30 10.709 3.732 1.049 1.00 0.42 C ATOM 442 CG ARG A 30 11.726 4.828 1.389 1.00 0.83 C ATOM 443 CD ARG A 30 11.014 6.124 1.813 1.00 1.34 C ATOM 444 NE ARG A 30 11.896 7.300 1.709 1.00 2.12 N ATOM 445 CZ ARG A 30 12.916 7.597 2.532 1.00 2.59 C ATOM 446 NH1 ARG A 30 13.207 6.784 3.552 1.00 3.00 N ATOM 447 NH2 ARG A 30 13.637 8.705 2.328 1.00 3.40 N ATOM 0 H ARG A 30 8.202 3.604 0.665 1.00 0.25 H new ATOM 0 HA ARG A 30 10.382 4.953 -0.707 1.00 0.29 H new ATOM 0 HB2 ARG A 30 9.959 3.671 1.837 1.00 0.42 H new ATOM 0 HB3 ARG A 30 11.211 2.765 1.012 1.00 0.42 H new ATOM 0 HG2 ARG A 30 12.379 4.487 2.193 1.00 0.83 H new ATOM 0 HG3 ARG A 30 12.360 5.023 0.524 1.00 0.83 H new ATOM 0 HD2 ARG A 30 10.134 6.275 1.188 1.00 1.34 H new ATOM 0 HD3 ARG A 30 10.662 6.025 2.840 1.00 1.34 H new ATOM 0 HE ARG A 30 11.716 7.948 0.942 1.00 2.12 H new ATOM 0 HH11 ARG A 30 12.655 5.940 3.705 1.00 3.00 H new ATOM 0 HH12 ARG A 30 13.981 7.008 4.178 1.00 3.00 H new ATOM 0 HH21 ARG A 30 13.412 9.323 1.549 1.00 3.40 H new ATOM 0 HH22 ARG A 30 14.411 8.932 2.952 1.00 3.40 H new ATOM 461 N MET A 31 9.460 2.151 -1.877 1.00 0.24 N ATOM 462 CA MET A 31 9.798 1.084 -2.818 1.00 0.24 C ATOM 463 C MET A 31 10.194 1.644 -4.196 1.00 0.24 C ATOM 464 O MET A 31 9.553 2.567 -4.699 1.00 0.30 O ATOM 465 CB MET A 31 8.635 0.096 -2.967 1.00 0.31 C ATOM 466 CG MET A 31 8.378 -0.750 -1.714 1.00 0.45 C ATOM 467 SD MET A 31 9.288 -2.311 -1.544 1.00 1.27 S ATOM 468 CE MET A 31 10.853 -1.786 -0.811 1.00 2.07 C ATOM 0 H MET A 31 8.466 2.221 -1.658 1.00 0.24 H new ATOM 0 HA MET A 31 10.659 0.556 -2.408 1.00 0.24 H new ATOM 0 HB2 MET A 31 7.729 0.650 -3.212 1.00 0.31 H new ATOM 0 HB3 MET A 31 8.840 -0.568 -3.807 1.00 0.31 H new ATOM 0 HG2 MET A 31 8.603 -0.135 -0.843 1.00 0.45 H new ATOM 0 HG3 MET A 31 7.313 -0.978 -1.677 1.00 0.45 H new ATOM 0 HE1 MET A 31 11.295 -2.618 -0.263 1.00 2.07 H new ATOM 0 HE2 MET A 31 11.535 -1.467 -1.599 1.00 2.07 H new ATOM 0 HE3 MET A 31 10.674 -0.956 -0.128 1.00 2.07 H new ATOM 478 N PRO A 32 11.233 1.083 -4.833 1.00 0.23 N ATOM 479 CA PRO A 32 11.765 1.587 -6.089 1.00 0.26 C ATOM 480 C PRO A 32 10.786 1.329 -7.236 1.00 0.30 C ATOM 481 O PRO A 32 10.875 0.286 -7.864 1.00 0.52 O ATOM 482 CB PRO A 32 13.076 0.818 -6.294 1.00 0.30 C ATOM 483 CG PRO A 32 12.819 -0.518 -5.591 1.00 0.28 C ATOM 484 CD PRO A 32 11.973 -0.092 -4.394 1.00 0.24 C ATOM 0 HA PRO A 32 11.925 2.665 -6.068 1.00 0.26 H new ATOM 0 HB2 PRO A 32 13.299 0.679 -7.352 1.00 0.30 H new ATOM 0 HB3 PRO A 32 13.924 1.345 -5.857 1.00 0.30 H new ATOM 0 HG2 PRO A 32 12.290 -1.222 -6.234 1.00 0.28 H new ATOM 0 HG3 PRO A 32 13.746 -1.002 -5.283 1.00 0.28 H new ATOM 0 HD2 PRO A 32 11.296 -0.890 -4.089 1.00 0.24 H new ATOM 0 HD3 PRO A 32 12.601 0.139 -3.533 1.00 0.24 H new ATOM 492 N GLY A 33 9.881 2.272 -7.519 1.00 0.20 N ATOM 493 CA GLY A 33 8.871 2.161 -8.570 1.00 0.17 C ATOM 494 C GLY A 33 7.556 2.824 -8.156 1.00 0.21 C ATOM 495 O GLY A 33 6.699 3.091 -8.998 1.00 0.25 O ATOM 0 H GLY A 33 9.832 3.154 -7.009 1.00 0.20 H new ATOM 0 HA2 GLY A 33 9.242 2.626 -9.483 1.00 0.17 H new ATOM 0 HA3 GLY A 33 8.694 1.110 -8.797 1.00 0.17 H new ATOM 499 N VAL A 34 7.374 3.093 -6.860 1.00 0.22 N ATOM 500 CA VAL A 34 6.255 3.877 -6.368 1.00 0.21 C ATOM 501 C VAL A 34 6.397 5.351 -6.747 1.00 0.25 C ATOM 502 O VAL A 34 7.504 5.845 -6.955 1.00 0.28 O ATOM 503 CB VAL A 34 6.167 3.677 -4.851 1.00 0.20 C ATOM 504 CG1 VAL A 34 7.270 4.482 -4.156 1.00 0.26 C ATOM 505 CG2 VAL A 34 4.782 4.033 -4.298 1.00 0.26 C ATOM 0 H VAL A 34 8.004 2.769 -6.127 1.00 0.22 H new ATOM 0 HA VAL A 34 5.328 3.539 -6.831 1.00 0.21 H new ATOM 0 HB VAL A 34 6.317 2.618 -4.642 1.00 0.20 H new ATOM 0 HG11 VAL A 34 7.203 4.336 -3.078 1.00 0.26 H new ATOM 0 HG12 VAL A 34 8.244 4.143 -4.508 1.00 0.26 H new ATOM 0 HG13 VAL A 34 7.149 5.540 -4.387 1.00 0.26 H new ATOM 0 HG21 VAL A 34 4.769 3.875 -3.220 1.00 0.26 H new ATOM 0 HG22 VAL A 34 4.562 5.078 -4.514 1.00 0.26 H new ATOM 0 HG23 VAL A 34 4.029 3.399 -4.766 1.00 0.26 H new ATOM 515 N THR A 35 5.267 6.055 -6.803 1.00 0.28 N ATOM 516 CA THR A 35 5.205 7.509 -6.871 1.00 0.35 C ATOM 517 C THR A 35 4.521 8.039 -5.616 1.00 0.33 C ATOM 518 O THR A 35 5.147 8.752 -4.831 1.00 0.44 O ATOM 519 CB THR A 35 4.516 7.976 -8.168 1.00 0.44 C ATOM 520 OG1 THR A 35 4.264 6.858 -8.991 1.00 0.51 O ATOM 521 CG2 THR A 35 5.407 8.910 -8.987 1.00 0.54 C ATOM 0 H THR A 35 4.347 5.615 -6.802 1.00 0.28 H new ATOM 0 HA THR A 35 6.214 7.920 -6.905 1.00 0.35 H new ATOM 0 HB THR A 35 3.605 8.495 -7.871 1.00 0.44 H new ATOM 0 HG1 THR A 35 5.108 6.532 -9.367 1.00 0.51 H new ATOM 0 HG21 THR A 35 4.881 9.214 -9.892 1.00 0.54 H new ATOM 0 HG22 THR A 35 5.650 9.792 -8.395 1.00 0.54 H new ATOM 0 HG23 THR A 35 6.326 8.391 -9.259 1.00 0.54 H new ATOM 529 N ASP A 36 3.248 7.679 -5.408 1.00 0.26 N ATOM 530 CA ASP A 36 2.443 8.311 -4.368 1.00 0.25 C ATOM 531 C ASP A 36 1.425 7.358 -3.760 1.00 0.28 C ATOM 532 O ASP A 36 0.833 6.548 -4.461 1.00 0.54 O ATOM 533 CB ASP A 36 1.767 9.590 -4.886 1.00 0.37 C ATOM 534 CG ASP A 36 2.623 10.819 -4.624 1.00 1.64 C ATOM 535 OD1 ASP A 36 2.909 11.046 -3.424 1.00 2.25 O ATOM 536 OD2 ASP A 36 2.980 11.500 -5.605 1.00 3.02 O ATOM 0 H ASP A 36 2.762 6.960 -5.943 1.00 0.26 H new ATOM 0 HA ASP A 36 3.129 8.591 -3.568 1.00 0.25 H new ATOM 0 HB2 ASP A 36 1.581 9.496 -5.956 1.00 0.37 H new ATOM 0 HB3 ASP A 36 0.797 9.711 -4.403 1.00 0.37 H new ATOM 541 N ALA A 37 1.225 7.481 -2.447 1.00 0.20 N ATOM 542 CA ALA A 37 0.285 6.714 -1.645 1.00 0.29 C ATOM 543 C ALA A 37 -0.942 7.572 -1.346 1.00 0.58 C ATOM 544 O ALA A 37 -0.834 8.797 -1.356 1.00 1.13 O ATOM 545 CB ALA A 37 0.974 6.356 -0.332 1.00 0.64 C ATOM 0 H ALA A 37 1.746 8.157 -1.889 1.00 0.20 H new ATOM 0 HA ALA A 37 -0.025 5.814 -2.177 1.00 0.29 H new ATOM 0 HB1 ALA A 37 0.291 5.779 0.292 1.00 0.64 H new ATOM 0 HB2 ALA A 37 1.865 5.764 -0.539 1.00 0.64 H new ATOM 0 HB3 ALA A 37 1.259 7.269 0.190 1.00 0.64 H new ATOM 551 N ASN A 38 -2.089 6.953 -1.045 1.00 0.33 N ATOM 552 CA ASN A 38 -3.321 7.643 -0.678 1.00 0.50 C ATOM 553 C ASN A 38 -4.161 6.691 0.176 1.00 0.38 C ATOM 554 O ASN A 38 -4.866 5.828 -0.345 1.00 0.39 O ATOM 555 CB ASN A 38 -4.078 8.109 -1.939 1.00 0.72 C ATOM 556 CG ASN A 38 -4.129 9.629 -2.076 1.00 1.04 C ATOM 557 OD1 ASN A 38 -5.199 10.224 -2.026 1.00 2.05 O ATOM 558 ND2 ASN A 38 -2.983 10.277 -2.255 1.00 0.84 N ATOM 0 H ASN A 38 -2.184 5.937 -1.051 1.00 0.33 H new ATOM 0 HA ASN A 38 -3.100 8.540 -0.100 1.00 0.50 H new ATOM 0 HB2 ASN A 38 -3.598 7.686 -2.821 1.00 0.72 H new ATOM 0 HB3 ASN A 38 -5.095 7.718 -1.911 1.00 0.72 H new ATOM 0 HD21 ASN A 38 -2.981 11.292 -2.354 1.00 0.84 H new ATOM 0 HD22 ASN A 38 -2.105 9.759 -2.293 1.00 0.84 H new ATOM 565 N VAL A 39 -4.057 6.812 1.502 1.00 0.38 N ATOM 566 CA VAL A 39 -4.771 5.946 2.431 1.00 0.39 C ATOM 567 C VAL A 39 -6.204 6.448 2.680 1.00 0.35 C ATOM 568 O VAL A 39 -6.423 7.652 2.772 1.00 0.41 O ATOM 569 CB VAL A 39 -3.919 5.785 3.699 1.00 0.60 C ATOM 570 CG1 VAL A 39 -3.822 7.064 4.541 1.00 0.74 C ATOM 571 CG2 VAL A 39 -4.438 4.633 4.554 1.00 0.74 C ATOM 0 H VAL A 39 -3.474 7.515 1.957 1.00 0.38 H new ATOM 0 HA VAL A 39 -4.909 4.952 2.005 1.00 0.39 H new ATOM 0 HB VAL A 39 -2.909 5.562 3.354 1.00 0.60 H new ATOM 0 HG11 VAL A 39 -3.205 6.875 5.420 1.00 0.74 H new ATOM 0 HG12 VAL A 39 -3.372 7.858 3.946 1.00 0.74 H new ATOM 0 HG13 VAL A 39 -4.820 7.368 4.857 1.00 0.74 H new ATOM 0 HG21 VAL A 39 -3.821 4.536 5.447 1.00 0.74 H new ATOM 0 HG22 VAL A 39 -5.469 4.832 4.845 1.00 0.74 H new ATOM 0 HG23 VAL A 39 -4.395 3.707 3.981 1.00 0.74 H new ATOM 581 N ASN A 40 -7.180 5.530 2.766 1.00 0.32 N ATOM 582 CA ASN A 40 -8.607 5.827 2.887 1.00 0.33 C ATOM 583 C ASN A 40 -9.227 4.893 3.935 1.00 0.37 C ATOM 584 O ASN A 40 -10.043 4.011 3.648 1.00 0.36 O ATOM 585 CB ASN A 40 -9.293 5.690 1.511 1.00 0.30 C ATOM 586 CG ASN A 40 -9.472 7.028 0.799 1.00 1.47 C ATOM 587 OD1 ASN A 40 -9.775 8.043 1.417 1.00 1.72 O ATOM 588 ND2 ASN A 40 -9.320 7.041 -0.521 1.00 2.48 N ATOM 0 H ASN A 40 -6.986 4.529 2.752 1.00 0.32 H new ATOM 0 HA ASN A 40 -8.752 6.855 3.219 1.00 0.33 H new ATOM 0 HB2 ASN A 40 -8.702 5.025 0.881 1.00 0.30 H new ATOM 0 HB3 ASN A 40 -10.268 5.221 1.642 1.00 0.30 H new ATOM 0 HD21 ASN A 40 -9.456 7.908 -1.041 1.00 2.48 H new ATOM 0 HD22 ASN A 40 -9.068 6.184 -1.014 1.00 2.48 H new ATOM 595 N LEU A 41 -8.865 5.124 5.198 1.00 0.43 N ATOM 596 CA LEU A 41 -9.390 4.363 6.326 1.00 0.48 C ATOM 597 C LEU A 41 -10.884 4.578 6.544 1.00 0.53 C ATOM 598 O LEU A 41 -11.531 3.737 7.163 1.00 0.56 O ATOM 599 CB LEU A 41 -8.604 4.683 7.599 1.00 0.59 C ATOM 600 CG LEU A 41 -7.133 4.271 7.461 1.00 0.63 C ATOM 601 CD1 LEU A 41 -6.399 4.502 8.782 1.00 0.76 C ATOM 602 CD2 LEU A 41 -7.028 2.791 7.066 1.00 0.62 C ATOM 0 H LEU A 41 -8.197 5.847 5.465 1.00 0.43 H new ATOM 0 HA LEU A 41 -9.262 3.308 6.082 1.00 0.48 H new ATOM 0 HB2 LEU A 41 -8.667 5.751 7.810 1.00 0.59 H new ATOM 0 HB3 LEU A 41 -9.052 4.164 8.446 1.00 0.59 H new ATOM 0 HG LEU A 41 -6.674 4.880 6.682 1.00 0.63 H new ATOM 0 HD11 LEU A 41 -5.355 4.207 8.675 1.00 0.76 H new ATOM 0 HD12 LEU A 41 -6.452 5.558 9.048 1.00 0.76 H new ATOM 0 HD13 LEU A 41 -6.866 3.906 9.567 1.00 0.76 H new ATOM 0 HD21 LEU A 41 -5.978 2.513 6.972 1.00 0.62 H new ATOM 0 HD22 LEU A 41 -7.499 2.176 7.833 1.00 0.62 H new ATOM 0 HD23 LEU A 41 -7.532 2.632 6.113 1.00 0.62 H new ATOM 614 N ALA A 42 -11.451 5.635 5.954 1.00 0.55 N ATOM 615 CA ALA A 42 -12.890 5.841 5.884 1.00 0.59 C ATOM 616 C ALA A 42 -13.584 4.617 5.283 1.00 0.60 C ATOM 617 O ALA A 42 -14.780 4.420 5.483 1.00 0.71 O ATOM 618 CB ALA A 42 -13.177 7.078 5.029 1.00 0.61 C ATOM 0 H ALA A 42 -10.912 6.377 5.508 1.00 0.55 H new ATOM 0 HA ALA A 42 -13.278 5.990 6.892 1.00 0.59 H new ATOM 0 HB1 ALA A 42 -14.254 7.239 4.972 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -12.703 7.950 5.480 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -12.779 6.927 4.026 1.00 0.61 H new ATOM 624 N THR A 43 -12.837 3.813 4.522 1.00 0.54 N ATOM 625 CA THR A 43 -13.330 2.607 3.896 1.00 0.57 C ATOM 626 C THR A 43 -12.345 1.456 4.135 1.00 0.48 C ATOM 627 O THR A 43 -12.355 0.489 3.380 1.00 0.44 O ATOM 628 CB THR A 43 -13.546 2.950 2.412 1.00 0.61 C ATOM 629 OG1 THR A 43 -14.244 4.179 2.322 1.00 0.72 O ATOM 630 CG2 THR A 43 -14.363 1.911 1.652 1.00 0.75 C ATOM 0 H THR A 43 -11.853 3.996 4.326 1.00 0.54 H new ATOM 0 HA THR A 43 -14.275 2.263 4.317 1.00 0.57 H new ATOM 0 HB THR A 43 -12.554 2.991 1.962 1.00 0.61 H new ATOM 0 HG1 THR A 43 -14.385 4.407 1.379 1.00 0.72 H new ATOM 0 HG21 THR A 43 -14.472 2.223 0.613 1.00 0.75 H new ATOM 0 HG22 THR A 43 -13.853 0.948 1.690 1.00 0.75 H new ATOM 0 HG23 THR A 43 -15.348 1.818 2.109 1.00 0.75 H new ATOM 638 N GLU A 44 -11.481 1.539 5.160 1.00 0.48 N ATOM 639 CA GLU A 44 -10.499 0.496 5.454 1.00 0.47 C ATOM 640 C GLU A 44 -9.685 0.099 4.207 1.00 0.38 C ATOM 641 O GLU A 44 -9.315 -1.064 4.031 1.00 0.43 O ATOM 642 CB GLU A 44 -11.231 -0.691 6.098 1.00 0.52 C ATOM 643 CG GLU A 44 -11.821 -0.295 7.458 1.00 0.63 C ATOM 644 CD GLU A 44 -12.234 -1.529 8.247 1.00 1.72 C ATOM 645 OE1 GLU A 44 -13.256 -2.133 7.858 1.00 2.10 O ATOM 646 OE2 GLU A 44 -11.505 -1.854 9.208 1.00 3.05 O ATOM 0 H GLU A 44 -11.448 2.330 5.803 1.00 0.48 H new ATOM 0 HA GLU A 44 -9.759 0.875 6.159 1.00 0.47 H new ATOM 0 HB2 GLU A 44 -12.027 -1.035 5.437 1.00 0.52 H new ATOM 0 HB3 GLU A 44 -10.540 -1.524 6.225 1.00 0.52 H new ATOM 0 HG2 GLU A 44 -11.087 0.276 8.026 1.00 0.63 H new ATOM 0 HG3 GLU A 44 -12.684 0.354 7.310 1.00 0.63 H new ATOM 653 N THR A 45 -9.411 1.079 3.339 1.00 0.31 N ATOM 654 CA THR A 45 -8.863 0.875 2.009 1.00 0.26 C ATOM 655 C THR A 45 -7.651 1.777 1.861 1.00 0.28 C ATOM 656 O THR A 45 -7.560 2.821 2.508 1.00 0.34 O ATOM 657 CB THR A 45 -9.954 1.184 0.963 1.00 0.30 C ATOM 658 OG1 THR A 45 -10.978 0.218 1.056 1.00 0.55 O ATOM 659 CG2 THR A 45 -9.485 1.168 -0.496 1.00 0.29 C ATOM 0 H THR A 45 -9.572 2.062 3.557 1.00 0.31 H new ATOM 0 HA THR A 45 -8.547 -0.157 1.855 1.00 0.26 H new ATOM 0 HB THR A 45 -10.279 2.197 1.198 1.00 0.30 H new ATOM 0 HG1 THR A 45 -11.480 0.353 1.886 1.00 0.55 H new ATOM 0 HG21 THR A 45 -10.326 1.397 -1.151 1.00 0.29 H new ATOM 0 HG22 THR A 45 -8.703 1.915 -0.635 1.00 0.29 H new ATOM 0 HG23 THR A 45 -9.092 0.181 -0.741 1.00 0.29 H new ATOM 667 N VAL A 46 -6.711 1.373 1.016 1.00 0.30 N ATOM 668 CA VAL A 46 -5.561 2.172 0.661 1.00 0.33 C ATOM 669 C VAL A 46 -5.361 2.103 -0.844 1.00 0.28 C ATOM 670 O VAL A 46 -5.620 1.067 -1.461 1.00 0.29 O ATOM 671 CB VAL A 46 -4.354 1.687 1.468 1.00 0.51 C ATOM 672 CG1 VAL A 46 -3.986 0.229 1.162 1.00 0.64 C ATOM 673 CG2 VAL A 46 -3.122 2.554 1.225 1.00 0.49 C ATOM 0 H VAL A 46 -6.733 0.464 0.554 1.00 0.30 H new ATOM 0 HA VAL A 46 -5.703 3.223 0.911 1.00 0.33 H new ATOM 0 HB VAL A 46 -4.659 1.764 2.512 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -3.124 -0.062 1.762 1.00 0.64 H new ATOM 0 HG12 VAL A 46 -4.830 -0.417 1.402 1.00 0.64 H new ATOM 0 HG13 VAL A 46 -3.742 0.130 0.104 1.00 0.64 H new ATOM 0 HG21 VAL A 46 -2.288 2.176 1.816 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -2.859 2.525 0.168 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -3.337 3.582 1.517 1.00 0.49 H new ATOM 683 N ASN A 47 -4.936 3.229 -1.421 1.00 0.24 N ATOM 684 CA ASN A 47 -4.618 3.369 -2.824 1.00 0.21 C ATOM 685 C ASN A 47 -3.154 3.764 -2.936 1.00 0.19 C ATOM 686 O ASN A 47 -2.659 4.504 -2.086 1.00 0.27 O ATOM 687 CB ASN A 47 -5.547 4.416 -3.453 1.00 0.32 C ATOM 688 CG ASN A 47 -5.197 4.736 -4.904 1.00 1.04 C ATOM 689 OD1 ASN A 47 -5.842 4.248 -5.823 1.00 2.47 O ATOM 690 ND2 ASN A 47 -4.203 5.593 -5.129 1.00 0.65 N ATOM 0 H ASN A 47 -4.803 4.093 -0.896 1.00 0.24 H new ATOM 0 HA ASN A 47 -4.770 2.434 -3.363 1.00 0.21 H new ATOM 0 HB2 ASN A 47 -6.575 4.056 -3.405 1.00 0.32 H new ATOM 0 HB3 ASN A 47 -5.502 5.332 -2.865 1.00 0.32 H new ATOM 0 HD21 ASN A 47 -3.964 5.857 -6.085 1.00 0.65 H new ATOM 0 HD22 ASN A 47 -3.681 5.986 -4.346 1.00 0.65 H new ATOM 697 N VAL A 48 -2.463 3.294 -3.972 1.00 0.20 N ATOM 698 CA VAL A 48 -1.093 3.698 -4.242 1.00 0.24 C ATOM 699 C VAL A 48 -0.830 3.646 -5.743 1.00 0.23 C ATOM 700 O VAL A 48 -1.304 2.740 -6.428 1.00 0.22 O ATOM 701 CB VAL A 48 -0.102 2.881 -3.390 1.00 0.30 C ATOM 702 CG1 VAL A 48 -0.230 1.379 -3.643 1.00 0.31 C ATOM 703 CG2 VAL A 48 1.353 3.303 -3.636 1.00 0.39 C ATOM 0 H VAL A 48 -2.839 2.625 -4.644 1.00 0.20 H new ATOM 0 HA VAL A 48 -0.937 4.734 -3.940 1.00 0.24 H new ATOM 0 HB VAL A 48 -0.363 3.091 -2.353 1.00 0.30 H new ATOM 0 HG11 VAL A 48 0.487 0.843 -3.021 1.00 0.31 H new ATOM 0 HG12 VAL A 48 -1.240 1.053 -3.395 1.00 0.31 H new ATOM 0 HG13 VAL A 48 -0.029 1.168 -4.693 1.00 0.31 H new ATOM 0 HG21 VAL A 48 2.016 2.701 -3.015 1.00 0.39 H new ATOM 0 HG22 VAL A 48 1.603 3.152 -4.686 1.00 0.39 H new ATOM 0 HG23 VAL A 48 1.474 4.356 -3.382 1.00 0.39 H new ATOM 713 N ILE A 49 -0.113 4.654 -6.237 1.00 0.26 N ATOM 714 CA ILE A 49 0.286 4.845 -7.616 1.00 0.26 C ATOM 715 C ILE A 49 1.745 4.406 -7.729 1.00 0.30 C ATOM 716 O ILE A 49 2.618 4.956 -7.046 1.00 0.39 O ATOM 717 CB ILE A 49 0.071 6.314 -8.032 1.00 0.29 C ATOM 718 CG1 ILE A 49 -1.362 6.810 -7.743 1.00 0.33 C ATOM 719 CG2 ILE A 49 0.348 6.478 -9.531 1.00 0.38 C ATOM 720 CD1 ILE A 49 -1.354 8.077 -6.883 1.00 0.88 C ATOM 0 H ILE A 49 0.224 5.407 -5.637 1.00 0.26 H new ATOM 0 HA ILE A 49 -0.319 4.247 -8.298 1.00 0.26 H new ATOM 0 HB ILE A 49 0.764 6.911 -7.439 1.00 0.29 H new ATOM 0 HG12 ILE A 49 -1.875 7.010 -8.683 1.00 0.33 H new ATOM 0 HG13 ILE A 49 -1.924 6.027 -7.234 1.00 0.33 H new ATOM 0 HG21 ILE A 49 0.194 7.518 -9.818 1.00 0.38 H new ATOM 0 HG22 ILE A 49 1.378 6.191 -9.744 1.00 0.38 H new ATOM 0 HG23 ILE A 49 -0.331 5.841 -10.098 1.00 0.38 H new ATOM 0 HD11 ILE A 49 -2.379 8.398 -6.699 1.00 0.88 H new ATOM 0 HD12 ILE A 49 -0.863 7.868 -5.932 1.00 0.88 H new ATOM 0 HD13 ILE A 49 -0.814 8.867 -7.405 1.00 0.88 H new ATOM 732 N TYR A 50 1.996 3.396 -8.566 1.00 0.25 N ATOM 733 CA TYR A 50 3.313 2.819 -8.786 1.00 0.25 C ATOM 734 C TYR A 50 3.436 2.367 -10.230 1.00 0.23 C ATOM 735 O TYR A 50 2.430 2.303 -10.944 1.00 0.25 O ATOM 736 CB TYR A 50 3.558 1.631 -7.842 1.00 0.29 C ATOM 737 CG TYR A 50 2.412 0.637 -7.703 1.00 0.38 C ATOM 738 CD1 TYR A 50 1.975 -0.126 -8.805 1.00 1.51 C ATOM 739 CD2 TYR A 50 1.873 0.373 -6.431 1.00 1.94 C ATOM 740 CE1 TYR A 50 1.063 -1.179 -8.625 1.00 1.46 C ATOM 741 CE2 TYR A 50 0.975 -0.693 -6.249 1.00 2.02 C ATOM 742 CZ TYR A 50 0.606 -1.499 -7.338 1.00 0.55 C ATOM 743 OH TYR A 50 0.007 -2.707 -7.116 1.00 0.66 O ATOM 0 H TYR A 50 1.266 2.950 -9.121 1.00 0.25 H new ATOM 0 HA TYR A 50 4.064 3.580 -8.576 1.00 0.25 H new ATOM 0 HB2 TYR A 50 4.439 1.092 -8.191 1.00 0.29 H new ATOM 0 HB3 TYR A 50 3.794 2.022 -6.853 1.00 0.29 H new ATOM 0 HD1 TYR A 50 2.344 0.101 -9.794 1.00 1.51 H new ATOM 0 HD2 TYR A 50 2.150 0.992 -5.591 1.00 1.94 H new ATOM 0 HE1 TYR A 50 0.714 -1.742 -9.478 1.00 1.46 H new ATOM 0 HE2 TYR A 50 0.568 -0.893 -5.269 1.00 2.02 H new ATOM 0 HH TYR A 50 -0.252 -2.776 -6.173 1.00 0.66 H new ATOM 753 N ASP A 51 4.660 2.030 -10.639 1.00 0.22 N ATOM 754 CA ASP A 51 4.924 1.526 -11.965 1.00 0.21 C ATOM 755 C ASP A 51 5.090 0.007 -11.904 1.00 0.30 C ATOM 756 O ASP A 51 6.053 -0.452 -11.291 1.00 0.31 O ATOM 757 CB ASP A 51 6.181 2.202 -12.496 1.00 0.23 C ATOM 758 CG ASP A 51 6.309 1.901 -13.984 1.00 0.36 C ATOM 759 OD1 ASP A 51 6.210 0.698 -14.315 1.00 2.07 O ATOM 760 OD2 ASP A 51 6.404 2.873 -14.765 1.00 1.81 O ATOM 0 H ASP A 51 5.490 2.103 -10.051 1.00 0.22 H new ATOM 0 HA ASP A 51 4.096 1.747 -12.638 1.00 0.21 H new ATOM 0 HB2 ASP A 51 6.129 3.278 -12.332 1.00 0.23 H new ATOM 0 HB3 ASP A 51 7.059 1.840 -11.961 1.00 0.23 H new ATOM 765 N PRO A 52 4.207 -0.787 -12.537 1.00 0.45 N ATOM 766 CA PRO A 52 4.268 -2.242 -12.517 1.00 0.57 C ATOM 767 C PRO A 52 5.462 -2.817 -13.283 1.00 0.60 C ATOM 768 O PRO A 52 5.543 -4.036 -13.424 1.00 0.77 O ATOM 769 CB PRO A 52 2.927 -2.709 -13.088 1.00 0.70 C ATOM 770 CG PRO A 52 2.571 -1.596 -14.070 1.00 0.68 C ATOM 771 CD PRO A 52 3.117 -0.342 -13.390 1.00 0.51 C ATOM 0 HA PRO A 52 4.426 -2.606 -11.502 1.00 0.57 H new ATOM 0 HB2 PRO A 52 3.014 -3.675 -13.586 1.00 0.70 H new ATOM 0 HB3 PRO A 52 2.172 -2.818 -12.309 1.00 0.70 H new ATOM 0 HG2 PRO A 52 3.030 -1.757 -15.045 1.00 0.68 H new ATOM 0 HG3 PRO A 52 1.495 -1.530 -14.231 1.00 0.68 H new ATOM 0 HD2 PRO A 52 3.469 0.379 -14.128 1.00 0.51 H new ATOM 0 HD3 PRO A 52 2.342 0.153 -12.805 1.00 0.51 H new ATOM 779 N ALA A 53 6.397 -1.986 -13.751 1.00 0.50 N ATOM 780 CA ALA A 53 7.629 -2.478 -14.351 1.00 0.57 C ATOM 781 C ALA A 53 8.555 -2.899 -13.214 1.00 0.52 C ATOM 782 O ALA A 53 8.980 -4.051 -13.138 1.00 0.75 O ATOM 783 CB ALA A 53 8.248 -1.407 -15.256 1.00 0.61 C ATOM 0 H ALA A 53 6.319 -0.969 -13.724 1.00 0.50 H new ATOM 0 HA ALA A 53 7.443 -3.339 -14.993 1.00 0.57 H new ATOM 0 HB1 ALA A 53 9.168 -1.791 -15.697 1.00 0.61 H new ATOM 0 HB2 ALA A 53 7.545 -1.150 -16.049 1.00 0.61 H new ATOM 0 HB3 ALA A 53 8.471 -0.517 -14.667 1.00 0.61 H new ATOM 789 N GLU A 54 8.817 -1.968 -12.297 1.00 0.29 N ATOM 790 CA GLU A 54 9.619 -2.190 -11.108 1.00 0.27 C ATOM 791 C GLU A 54 8.777 -2.699 -9.930 1.00 0.38 C ATOM 792 O GLU A 54 9.287 -3.349 -9.018 1.00 0.70 O ATOM 793 CB GLU A 54 10.250 -0.854 -10.715 1.00 0.26 C ATOM 794 CG GLU A 54 11.306 -0.346 -11.708 1.00 0.38 C ATOM 795 CD GLU A 54 10.695 0.158 -13.003 1.00 2.57 C ATOM 796 OE1 GLU A 54 9.597 0.747 -12.901 1.00 3.93 O ATOM 797 OE2 GLU A 54 11.313 -0.081 -14.062 1.00 3.55 O ATOM 0 H GLU A 54 8.464 -1.014 -12.369 1.00 0.29 H new ATOM 0 HA GLU A 54 10.370 -2.948 -11.332 1.00 0.27 H new ATOM 0 HB2 GLU A 54 9.463 -0.105 -10.623 1.00 0.26 H new ATOM 0 HB3 GLU A 54 10.710 -0.956 -9.732 1.00 0.26 H new ATOM 0 HG2 GLU A 54 11.879 0.457 -11.244 1.00 0.38 H new ATOM 0 HG3 GLU A 54 12.007 -1.150 -11.930 1.00 0.38 H new ATOM 804 N THR A 55 7.509 -2.295 -9.877 1.00 0.29 N ATOM 805 CA THR A 55 6.695 -2.250 -8.672 1.00 0.31 C ATOM 806 C THR A 55 5.201 -2.487 -8.820 1.00 0.45 C ATOM 807 O THR A 55 4.470 -1.677 -9.379 1.00 0.73 O ATOM 808 CB THR A 55 6.943 -0.934 -7.977 1.00 0.37 C ATOM 809 OG1 THR A 55 8.309 -0.867 -7.643 1.00 0.51 O ATOM 810 CG2 THR A 55 6.251 -0.825 -6.641 1.00 0.48 C ATOM 0 H THR A 55 7.005 -1.979 -10.706 1.00 0.29 H new ATOM 0 HA THR A 55 7.020 -3.111 -8.088 1.00 0.31 H new ATOM 0 HB THR A 55 6.586 -0.161 -8.658 1.00 0.37 H new ATOM 0 HG1 THR A 55 8.465 -0.099 -7.055 1.00 0.51 H new ATOM 0 HG21 THR A 55 6.471 0.145 -6.195 1.00 0.48 H new ATOM 0 HG22 THR A 55 5.174 -0.925 -6.780 1.00 0.48 H new ATOM 0 HG23 THR A 55 6.607 -1.616 -5.981 1.00 0.48 H new ATOM 818 N GLY A 56 4.718 -3.510 -8.120 1.00 0.35 N ATOM 819 CA GLY A 56 3.314 -3.607 -7.805 1.00 0.53 C ATOM 820 C GLY A 56 3.085 -4.613 -6.691 1.00 0.31 C ATOM 821 O GLY A 56 4.020 -5.040 -6.015 1.00 0.22 O ATOM 0 H GLY A 56 5.286 -4.279 -7.764 1.00 0.35 H new ATOM 0 HA2 GLY A 56 2.935 -2.630 -7.504 1.00 0.53 H new ATOM 0 HA3 GLY A 56 2.756 -3.906 -8.693 1.00 0.53 H new ATOM 825 N THR A 57 1.813 -4.966 -6.530 1.00 0.34 N ATOM 826 CA THR A 57 1.223 -5.891 -5.574 1.00 0.29 C ATOM 827 C THR A 57 2.185 -7.018 -5.162 1.00 0.27 C ATOM 828 O THR A 57 2.365 -7.259 -3.972 1.00 0.28 O ATOM 829 CB THR A 57 -0.159 -6.339 -6.100 1.00 0.34 C ATOM 830 OG1 THR A 57 -0.673 -7.431 -5.369 1.00 0.58 O ATOM 831 CG2 THR A 57 -0.223 -6.625 -7.608 1.00 0.43 C ATOM 0 H THR A 57 1.095 -4.566 -7.133 1.00 0.34 H new ATOM 0 HA THR A 57 1.045 -5.387 -4.624 1.00 0.29 H new ATOM 0 HB THR A 57 -0.794 -5.468 -5.940 1.00 0.34 H new ATOM 0 HG1 THR A 57 -1.548 -7.684 -5.731 1.00 0.58 H new ATOM 0 HG21 THR A 57 -1.234 -6.932 -7.878 1.00 0.43 H new ATOM 0 HG22 THR A 57 0.042 -5.724 -8.161 1.00 0.43 H new ATOM 0 HG23 THR A 57 0.477 -7.422 -7.857 1.00 0.43 H new ATOM 839 N ALA A 58 2.857 -7.653 -6.128 1.00 0.31 N ATOM 840 CA ALA A 58 3.896 -8.650 -5.882 1.00 0.33 C ATOM 841 C ALA A 58 4.898 -8.224 -4.795 1.00 0.30 C ATOM 842 O ALA A 58 5.092 -8.930 -3.808 1.00 0.36 O ATOM 843 CB ALA A 58 4.633 -8.934 -7.197 1.00 0.37 C ATOM 0 H ALA A 58 2.689 -7.483 -7.120 1.00 0.31 H new ATOM 0 HA ALA A 58 3.407 -9.551 -5.511 1.00 0.33 H new ATOM 0 HB1 ALA A 58 5.411 -9.677 -7.025 1.00 0.37 H new ATOM 0 HB2 ALA A 58 3.927 -9.313 -7.936 1.00 0.37 H new ATOM 0 HB3 ALA A 58 5.086 -8.014 -7.566 1.00 0.37 H new ATOM 849 N ALA A 59 5.569 -7.087 -4.997 1.00 0.24 N ATOM 850 CA ALA A 59 6.571 -6.573 -4.064 1.00 0.24 C ATOM 851 C ALA A 59 5.880 -6.026 -2.826 1.00 0.24 C ATOM 852 O ALA A 59 6.400 -6.056 -1.710 1.00 0.22 O ATOM 853 CB ALA A 59 7.401 -5.484 -4.750 1.00 0.24 C ATOM 0 H ALA A 59 5.431 -6.496 -5.816 1.00 0.24 H new ATOM 0 HA ALA A 59 7.240 -7.378 -3.760 1.00 0.24 H new ATOM 0 HB1 ALA A 59 8.147 -5.102 -4.053 1.00 0.24 H new ATOM 0 HB2 ALA A 59 7.901 -5.903 -5.623 1.00 0.24 H new ATOM 0 HB3 ALA A 59 6.746 -4.670 -5.063 1.00 0.24 H new ATOM 859 N ILE A 60 4.703 -5.463 -3.059 1.00 0.27 N ATOM 860 CA ILE A 60 3.975 -4.741 -2.055 1.00 0.27 C ATOM 861 C ILE A 60 3.513 -5.673 -0.942 1.00 0.28 C ATOM 862 O ILE A 60 3.855 -5.394 0.199 1.00 0.31 O ATOM 863 CB ILE A 60 2.918 -3.892 -2.772 1.00 0.27 C ATOM 864 CG1 ILE A 60 3.506 -2.502 -3.068 1.00 0.33 C ATOM 865 CG2 ILE A 60 1.578 -3.779 -2.048 1.00 0.28 C ATOM 866 CD1 ILE A 60 3.459 -2.147 -4.549 1.00 0.74 C ATOM 0 H ILE A 60 4.232 -5.502 -3.963 1.00 0.27 H new ATOM 0 HA ILE A 60 4.589 -4.030 -1.502 1.00 0.27 H new ATOM 0 HB ILE A 60 2.678 -4.416 -3.697 1.00 0.27 H new ATOM 0 HG12 ILE A 60 2.956 -1.751 -2.501 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.539 -2.468 -2.723 1.00 0.33 H new ATOM 0 HG21 ILE A 60 0.899 -3.160 -2.634 1.00 0.28 H new ATOM 0 HG22 ILE A 60 1.147 -4.772 -1.923 1.00 0.28 H new ATOM 0 HG23 ILE A 60 1.731 -3.324 -1.069 1.00 0.28 H new ATOM 0 HD11 ILE A 60 3.887 -1.156 -4.699 1.00 0.74 H new ATOM 0 HD12 ILE A 60 4.032 -2.880 -5.117 1.00 0.74 H new ATOM 0 HD13 ILE A 60 2.424 -2.151 -4.892 1.00 0.74 H new ATOM 878 N GLN A 61 2.821 -6.785 -1.216 1.00 0.28 N ATOM 879 CA GLN A 61 2.471 -7.728 -0.150 1.00 0.27 C ATOM 880 C GLN A 61 3.698 -8.070 0.703 1.00 0.23 C ATOM 881 O GLN A 61 3.640 -7.972 1.925 1.00 0.22 O ATOM 882 CB GLN A 61 1.878 -9.030 -0.696 1.00 0.34 C ATOM 883 CG GLN A 61 0.351 -9.076 -0.800 1.00 0.36 C ATOM 884 CD GLN A 61 -0.172 -8.463 -2.087 1.00 0.45 C ATOM 885 OE1 GLN A 61 -0.657 -9.170 -2.962 1.00 0.84 O ATOM 886 NE2 GLN A 61 -0.079 -7.146 -2.211 1.00 0.38 N ATOM 0 H GLN A 61 2.498 -7.050 -2.147 1.00 0.28 H new ATOM 0 HA GLN A 61 1.717 -7.231 0.460 1.00 0.27 H new ATOM 0 HB2 GLN A 61 2.296 -9.210 -1.686 1.00 0.34 H new ATOM 0 HB3 GLN A 61 2.205 -9.851 -0.058 1.00 0.34 H new ATOM 0 HG2 GLN A 61 0.018 -10.112 -0.736 1.00 0.36 H new ATOM 0 HG3 GLN A 61 -0.082 -8.549 0.050 1.00 0.36 H new ATOM 0 HE21 GLN A 61 0.331 -6.591 -1.460 1.00 0.38 H new ATOM 0 HE22 GLN A 61 -0.418 -6.688 -3.057 1.00 0.38 H new ATOM 895 N GLU A 62 4.800 -8.444 0.045 1.00 0.21 N ATOM 896 CA GLU A 62 6.095 -8.658 0.682 1.00 0.19 C ATOM 897 C GLU A 62 6.397 -7.623 1.759 1.00 0.21 C ATOM 898 O GLU A 62 6.591 -7.957 2.928 1.00 0.28 O ATOM 899 CB GLU A 62 7.200 -8.686 -0.399 1.00 0.25 C ATOM 900 CG GLU A 62 8.253 -9.786 -0.237 1.00 0.45 C ATOM 901 CD GLU A 62 9.340 -9.372 0.753 1.00 1.35 C ATOM 902 OE1 GLU A 62 9.926 -8.285 0.535 1.00 2.68 O ATOM 903 OE2 GLU A 62 9.588 -10.128 1.713 1.00 2.13 O ATOM 0 H GLU A 62 4.813 -8.608 -0.962 1.00 0.21 H new ATOM 0 HA GLU A 62 6.065 -9.620 1.193 1.00 0.19 H new ATOM 0 HB2 GLU A 62 6.727 -8.801 -1.374 1.00 0.25 H new ATOM 0 HB3 GLU A 62 7.706 -7.721 -0.402 1.00 0.25 H new ATOM 0 HG2 GLU A 62 7.774 -10.703 0.107 1.00 0.45 H new ATOM 0 HG3 GLU A 62 8.704 -10.006 -1.205 1.00 0.45 H new ATOM 910 N LYS A 63 6.445 -6.352 1.371 1.00 0.20 N ATOM 911 CA LYS A 63 6.787 -5.335 2.334 1.00 0.21 C ATOM 912 C LYS A 63 5.655 -5.138 3.341 1.00 0.21 C ATOM 913 O LYS A 63 5.936 -4.997 4.527 1.00 0.23 O ATOM 914 CB LYS A 63 7.233 -4.067 1.604 1.00 0.22 C ATOM 915 CG LYS A 63 8.747 -3.875 1.777 1.00 0.26 C ATOM 916 CD LYS A 63 9.502 -4.988 1.023 1.00 0.39 C ATOM 917 CE LYS A 63 10.935 -5.180 1.529 1.00 0.91 C ATOM 918 NZ LYS A 63 11.590 -6.302 0.826 1.00 1.88 N ATOM 0 H LYS A 63 6.257 -6.018 0.426 1.00 0.20 H new ATOM 0 HA LYS A 63 7.639 -5.648 2.937 1.00 0.21 H new ATOM 0 HB2 LYS A 63 6.985 -4.139 0.545 1.00 0.22 H new ATOM 0 HB3 LYS A 63 6.700 -3.202 1.998 1.00 0.22 H new ATOM 0 HG2 LYS A 63 9.045 -2.898 1.397 1.00 0.26 H new ATOM 0 HG3 LYS A 63 9.008 -3.898 2.835 1.00 0.26 H new ATOM 0 HD2 LYS A 63 8.956 -5.926 1.127 1.00 0.39 H new ATOM 0 HD3 LYS A 63 9.526 -4.749 -0.040 1.00 0.39 H new ATOM 0 HE2 LYS A 63 11.506 -4.265 1.375 1.00 0.91 H new ATOM 0 HE3 LYS A 63 10.925 -5.373 2.602 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 12.187 -6.830 1.495 1.00 1.88 H new ATOM 0 HZ2 LYS A 63 10.865 -6.936 0.434 1.00 1.88 H new ATOM 0 HZ3 LYS A 63 12.180 -5.931 0.054 1.00 1.88 H new ATOM 932 N ILE A 64 4.393 -5.154 2.908 1.00 0.20 N ATOM 933 CA ILE A 64 3.248 -4.979 3.785 1.00 0.20 C ATOM 934 C ILE A 64 3.319 -5.983 4.954 1.00 0.19 C ATOM 935 O ILE A 64 3.105 -5.617 6.113 1.00 0.24 O ATOM 936 CB ILE A 64 1.935 -5.146 3.008 1.00 0.23 C ATOM 937 CG1 ILE A 64 1.660 -4.047 1.979 1.00 0.28 C ATOM 938 CG2 ILE A 64 0.781 -5.195 4.005 1.00 0.26 C ATOM 939 CD1 ILE A 64 1.226 -2.712 2.574 1.00 0.46 C ATOM 0 H ILE A 64 4.141 -5.290 1.929 1.00 0.20 H new ATOM 0 HA ILE A 64 3.273 -3.967 4.190 1.00 0.20 H new ATOM 0 HB ILE A 64 2.029 -6.072 2.440 1.00 0.23 H new ATOM 0 HG12 ILE A 64 2.561 -3.889 1.386 1.00 0.28 H new ATOM 0 HG13 ILE A 64 0.885 -4.394 1.295 1.00 0.28 H new ATOM 0 HG21 ILE A 64 -0.160 -5.314 3.467 1.00 0.26 H new ATOM 0 HG22 ILE A 64 0.921 -6.038 4.682 1.00 0.26 H new ATOM 0 HG23 ILE A 64 0.757 -4.269 4.579 1.00 0.26 H new ATOM 0 HD11 ILE A 64 1.054 -1.995 1.771 1.00 0.46 H new ATOM 0 HD12 ILE A 64 0.306 -2.849 3.142 1.00 0.46 H new ATOM 0 HD13 ILE A 64 2.008 -2.337 3.234 1.00 0.46 H new ATOM 951 N GLU A 65 3.640 -7.247 4.655 1.00 0.17 N ATOM 952 CA GLU A 65 3.855 -8.257 5.682 1.00 0.18 C ATOM 953 C GLU A 65 4.900 -7.759 6.689 1.00 0.20 C ATOM 954 O GLU A 65 4.695 -7.819 7.900 1.00 0.24 O ATOM 955 CB GLU A 65 4.275 -9.566 5.001 1.00 0.19 C ATOM 956 CG GLU A 65 3.077 -10.395 4.513 1.00 0.24 C ATOM 957 CD GLU A 65 2.680 -11.466 5.524 1.00 0.38 C ATOM 958 OE1 GLU A 65 2.470 -11.096 6.698 1.00 1.75 O ATOM 959 OE2 GLU A 65 2.618 -12.643 5.106 1.00 1.82 O ATOM 0 H GLU A 65 3.756 -7.590 3.702 1.00 0.17 H new ATOM 0 HA GLU A 65 2.938 -8.444 6.241 1.00 0.18 H new ATOM 0 HB2 GLU A 65 4.922 -9.338 4.154 1.00 0.19 H new ATOM 0 HB3 GLU A 65 4.862 -10.162 5.700 1.00 0.19 H new ATOM 0 HG2 GLU A 65 2.229 -9.735 4.330 1.00 0.24 H new ATOM 0 HG3 GLU A 65 3.325 -10.867 3.562 1.00 0.24 H new ATOM 966 N LYS A 66 6.007 -7.198 6.196 1.00 0.20 N ATOM 967 CA LYS A 66 7.091 -6.696 7.027 1.00 0.24 C ATOM 968 C LYS A 66 6.640 -5.502 7.869 1.00 0.26 C ATOM 969 O LYS A 66 7.031 -5.385 9.028 1.00 0.33 O ATOM 970 CB LYS A 66 8.271 -6.292 6.140 1.00 0.40 C ATOM 971 CG LYS A 66 9.616 -6.704 6.753 1.00 0.57 C ATOM 972 CD LYS A 66 9.821 -8.226 6.631 1.00 1.27 C ATOM 973 CE LYS A 66 11.245 -8.590 6.183 1.00 1.96 C ATOM 974 NZ LYS A 66 12.253 -8.322 7.228 1.00 3.07 N ATOM 0 H LYS A 66 6.172 -7.081 5.196 1.00 0.20 H new ATOM 0 HA LYS A 66 7.396 -7.490 7.708 1.00 0.24 H new ATOM 0 HB2 LYS A 66 8.163 -6.754 5.159 1.00 0.40 H new ATOM 0 HB3 LYS A 66 8.257 -5.213 5.987 1.00 0.40 H new ATOM 0 HG2 LYS A 66 10.428 -6.180 6.249 1.00 0.57 H new ATOM 0 HG3 LYS A 66 9.650 -6.409 7.802 1.00 0.57 H new ATOM 0 HD2 LYS A 66 9.614 -8.696 7.592 1.00 1.27 H new ATOM 0 HD3 LYS A 66 9.104 -8.631 5.917 1.00 1.27 H new ATOM 0 HE2 LYS A 66 11.279 -9.645 5.913 1.00 1.96 H new ATOM 0 HE3 LYS A 66 11.496 -8.023 5.287 1.00 1.96 H new ATOM 0 HZ1 LYS A 66 13.196 -8.584 6.876 1.00 3.07 H new ATOM 0 HZ2 LYS A 66 12.242 -7.310 7.469 1.00 3.07 H new ATOM 0 HZ3 LYS A 66 12.032 -8.882 8.076 1.00 3.07 H new ATOM 988 N LEU A 67 5.831 -4.610 7.285 1.00 0.26 N ATOM 989 CA LEU A 67 5.181 -3.527 8.004 1.00 0.30 C ATOM 990 C LEU A 67 4.379 -4.069 9.198 1.00 0.29 C ATOM 991 O LEU A 67 4.149 -3.329 10.151 1.00 0.32 O ATOM 992 CB LEU A 67 4.296 -2.721 7.033 1.00 0.31 C ATOM 993 CG LEU A 67 4.992 -1.606 6.239 1.00 0.39 C ATOM 994 CD1 LEU A 67 5.584 -0.534 7.155 1.00 0.93 C ATOM 995 CD2 LEU A 67 6.045 -2.070 5.231 1.00 0.57 C ATOM 0 H LEU A 67 5.612 -4.627 6.289 1.00 0.26 H new ATOM 0 HA LEU A 67 5.938 -2.856 8.410 1.00 0.30 H new ATOM 0 HB2 LEU A 67 3.847 -3.416 6.324 1.00 0.31 H new ATOM 0 HB3 LEU A 67 3.481 -2.276 7.603 1.00 0.31 H new ATOM 0 HG LEU A 67 4.184 -1.179 5.645 1.00 0.39 H new ATOM 0 HD11 LEU A 67 6.066 0.235 6.551 1.00 0.93 H new ATOM 0 HD12 LEU A 67 4.789 -0.083 7.749 1.00 0.93 H new ATOM 0 HD13 LEU A 67 6.319 -0.988 7.819 1.00 0.93 H new ATOM 0 HD21 LEU A 67 6.473 -1.203 4.727 1.00 0.57 H new ATOM 0 HD22 LEU A 67 6.834 -2.612 5.752 1.00 0.57 H new ATOM 0 HD23 LEU A 67 5.580 -2.725 4.495 1.00 0.57 H new ATOM 1007 N GLY A 68 3.972 -5.343 9.160 1.00 0.28 N ATOM 1008 CA GLY A 68 3.320 -6.033 10.264 1.00 0.29 C ATOM 1009 C GLY A 68 1.817 -6.124 10.036 1.00 0.31 C ATOM 1010 O GLY A 68 1.051 -6.172 10.997 1.00 0.37 O ATOM 0 H GLY A 68 4.093 -5.932 8.336 1.00 0.28 H new ATOM 0 HA2 GLY A 68 3.737 -7.034 10.369 1.00 0.29 H new ATOM 0 HA3 GLY A 68 3.519 -5.505 11.197 1.00 0.29 H new ATOM 1014 N TYR A 69 1.388 -6.117 8.771 1.00 0.28 N ATOM 1015 CA TYR A 69 -0.025 -6.112 8.413 1.00 0.30 C ATOM 1016 C TYR A 69 -0.233 -6.926 7.157 1.00 0.27 C ATOM 1017 O TYR A 69 0.700 -7.440 6.555 1.00 0.35 O ATOM 1018 CB TYR A 69 -0.512 -4.676 8.176 1.00 0.32 C ATOM 1019 CG TYR A 69 -0.278 -3.715 9.320 1.00 0.34 C ATOM 1020 CD1 TYR A 69 0.979 -3.109 9.453 1.00 1.49 C ATOM 1021 CD2 TYR A 69 -1.340 -3.304 10.140 1.00 1.70 C ATOM 1022 CE1 TYR A 69 1.180 -2.094 10.397 1.00 1.51 C ATOM 1023 CE2 TYR A 69 -1.150 -2.261 11.064 1.00 1.70 C ATOM 1024 CZ TYR A 69 0.108 -1.651 11.188 1.00 0.42 C ATOM 1025 OH TYR A 69 0.256 -0.559 11.990 1.00 0.55 O ATOM 0 H TYR A 69 2.016 -6.115 7.967 1.00 0.28 H new ATOM 0 HA TYR A 69 -0.595 -6.548 9.233 1.00 0.30 H new ATOM 0 HB2 TYR A 69 -0.017 -4.284 7.288 1.00 0.32 H new ATOM 0 HB3 TYR A 69 -1.580 -4.704 7.959 1.00 0.32 H new ATOM 0 HD1 TYR A 69 1.797 -3.427 8.824 1.00 1.49 H new ATOM 0 HD2 TYR A 69 -2.302 -3.788 10.062 1.00 1.70 H new ATOM 0 HE1 TYR A 69 2.158 -1.653 10.516 1.00 1.51 H new ATOM 0 HE2 TYR A 69 -1.973 -1.929 11.679 1.00 1.70 H new ATOM 0 HH TYR A 69 -0.582 -0.388 12.468 1.00 0.55 H new ATOM 1035 N HIS A 70 -1.503 -7.041 6.798 1.00 0.38 N ATOM 1036 CA HIS A 70 -1.990 -7.892 5.747 1.00 0.42 C ATOM 1037 C HIS A 70 -2.786 -6.995 4.816 1.00 0.33 C ATOM 1038 O HIS A 70 -3.808 -6.440 5.225 1.00 0.44 O ATOM 1039 CB HIS A 70 -2.802 -8.985 6.451 1.00 0.87 C ATOM 1040 CG HIS A 70 -4.013 -9.571 5.777 1.00 1.61 C ATOM 1041 ND1 HIS A 70 -5.005 -8.899 5.095 1.00 3.30 N ATOM 1042 CD2 HIS A 70 -4.573 -10.715 6.258 1.00 2.07 C ATOM 1043 CE1 HIS A 70 -6.113 -9.660 5.123 1.00 3.77 C ATOM 1044 NE2 HIS A 70 -5.901 -10.779 5.829 1.00 3.03 N ATOM 0 H HIS A 70 -2.247 -6.516 7.258 1.00 0.38 H new ATOM 0 HA HIS A 70 -1.235 -8.388 5.137 1.00 0.42 H new ATOM 0 HB2 HIS A 70 -2.120 -9.808 6.667 1.00 0.87 H new ATOM 0 HB3 HIS A 70 -3.128 -8.581 7.410 1.00 0.87 H new ATOM 0 HD1 HIS A 70 -4.914 -7.986 4.648 1.00 3.30 H new ATOM 0 HD2 HIS A 70 -4.073 -11.451 6.870 1.00 2.07 H new ATOM 0 HE1 HIS A 70 -7.046 -9.404 4.642 1.00 3.77 H new ATOM 1052 N VAL A 71 -2.339 -6.873 3.569 1.00 0.27 N ATOM 1053 CA VAL A 71 -3.165 -6.316 2.504 1.00 0.28 C ATOM 1054 C VAL A 71 -3.822 -7.462 1.738 1.00 0.35 C ATOM 1055 O VAL A 71 -3.200 -8.507 1.557 1.00 0.48 O ATOM 1056 CB VAL A 71 -2.364 -5.349 1.620 1.00 0.31 C ATOM 1057 CG1 VAL A 71 -1.378 -6.052 0.682 1.00 0.43 C ATOM 1058 CG2 VAL A 71 -3.297 -4.461 0.805 1.00 0.36 C ATOM 0 H VAL A 71 -1.405 -7.154 3.271 1.00 0.27 H new ATOM 0 HA VAL A 71 -3.964 -5.706 2.925 1.00 0.28 H new ATOM 0 HB VAL A 71 -1.775 -4.741 2.307 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -0.847 -5.308 0.088 1.00 0.43 H new ATOM 0 HG12 VAL A 71 -0.661 -6.625 1.271 1.00 0.43 H new ATOM 0 HG13 VAL A 71 -1.923 -6.724 0.019 1.00 0.43 H new ATOM 0 HG21 VAL A 71 -2.707 -3.784 0.187 1.00 0.36 H new ATOM 0 HG22 VAL A 71 -3.925 -5.082 0.166 1.00 0.36 H new ATOM 0 HG23 VAL A 71 -3.927 -3.880 1.479 1.00 0.36 H new ATOM 1068 N VAL A 72 -5.075 -7.277 1.317 1.00 0.34 N ATOM 1069 CA VAL A 72 -5.791 -8.225 0.464 1.00 0.48 C ATOM 1070 C VAL A 72 -5.967 -7.606 -0.916 1.00 0.56 C ATOM 1071 O VAL A 72 -5.928 -6.390 -1.046 1.00 0.95 O ATOM 1072 CB VAL A 72 -7.157 -8.620 1.058 1.00 0.66 C ATOM 1073 CG1 VAL A 72 -7.050 -9.969 1.759 1.00 1.09 C ATOM 1074 CG2 VAL A 72 -7.724 -7.582 2.030 1.00 0.92 C ATOM 0 H VAL A 72 -5.626 -6.455 1.562 1.00 0.34 H new ATOM 0 HA VAL A 72 -5.204 -9.140 0.392 1.00 0.48 H new ATOM 0 HB VAL A 72 -7.850 -8.678 0.219 1.00 0.66 H new ATOM 0 HG11 VAL A 72 -8.020 -10.240 2.176 1.00 1.09 H new ATOM 0 HG12 VAL A 72 -6.738 -10.728 1.042 1.00 1.09 H new ATOM 0 HG13 VAL A 72 -6.315 -9.905 2.562 1.00 1.09 H new ATOM 0 HG21 VAL A 72 -8.686 -7.926 2.409 1.00 0.92 H new ATOM 0 HG22 VAL A 72 -7.033 -7.448 2.862 1.00 0.92 H new ATOM 0 HG23 VAL A 72 -7.857 -6.632 1.512 1.00 0.92 H new ATOM 1084 N ILE A 73 -6.168 -8.444 -1.937 1.00 0.49 N ATOM 1085 CA ILE A 73 -6.306 -8.029 -3.326 1.00 0.55 C ATOM 1086 C ILE A 73 -7.691 -8.452 -3.805 1.00 0.61 C ATOM 1087 O ILE A 73 -7.841 -9.410 -4.558 1.00 0.95 O ATOM 1088 CB ILE A 73 -5.152 -8.610 -4.170 1.00 0.82 C ATOM 1089 CG1 ILE A 73 -3.772 -8.288 -3.564 1.00 1.11 C ATOM 1090 CG2 ILE A 73 -5.202 -8.109 -5.622 1.00 0.94 C ATOM 1091 CD1 ILE A 73 -3.438 -6.791 -3.538 1.00 0.66 C ATOM 0 H ILE A 73 -6.240 -9.454 -1.812 1.00 0.49 H new ATOM 0 HA ILE A 73 -6.231 -6.947 -3.433 1.00 0.55 H new ATOM 0 HB ILE A 73 -5.289 -9.691 -4.164 1.00 0.82 H new ATOM 0 HG12 ILE A 73 -3.734 -8.676 -2.546 1.00 1.11 H new ATOM 0 HG13 ILE A 73 -3.005 -8.812 -4.134 1.00 1.11 H new ATOM 0 HG21 ILE A 73 -4.374 -8.540 -6.184 1.00 0.94 H new ATOM 0 HG22 ILE A 73 -6.145 -8.409 -6.078 1.00 0.94 H new ATOM 0 HG23 ILE A 73 -5.123 -7.022 -5.635 1.00 0.94 H new ATOM 0 HD11 ILE A 73 -2.452 -6.646 -3.098 1.00 0.66 H new ATOM 0 HD12 ILE A 73 -3.442 -6.400 -4.555 1.00 0.66 H new ATOM 0 HD13 ILE A 73 -4.182 -6.262 -2.943 1.00 0.66 H new ATOM 1103 N GLU A 74 -8.699 -7.711 -3.347 1.00 0.74 N ATOM 1104 CA GLU A 74 -10.059 -7.762 -3.849 1.00 1.14 C ATOM 1105 C GLU A 74 -10.325 -6.375 -4.428 1.00 1.60 C ATOM 1106 O GLU A 74 -9.985 -5.385 -3.779 1.00 2.09 O ATOM 1107 CB GLU A 74 -11.013 -8.126 -2.705 1.00 1.65 C ATOM 1108 CG GLU A 74 -12.419 -8.460 -3.215 1.00 2.70 C ATOM 1109 CD GLU A 74 -13.302 -8.926 -2.066 1.00 3.41 C ATOM 1110 OE1 GLU A 74 -13.065 -10.062 -1.602 1.00 3.97 O ATOM 1111 OE2 GLU A 74 -14.178 -8.132 -1.664 1.00 4.13 O ATOM 0 H GLU A 74 -8.580 -7.038 -2.590 1.00 0.74 H new ATOM 0 HA GLU A 74 -10.211 -8.522 -4.616 1.00 1.14 H new ATOM 0 HB2 GLU A 74 -10.614 -8.980 -2.157 1.00 1.65 H new ATOM 0 HB3 GLU A 74 -11.070 -7.295 -2.002 1.00 1.65 H new ATOM 0 HG2 GLU A 74 -12.859 -7.582 -3.688 1.00 2.70 H new ATOM 0 HG3 GLU A 74 -12.362 -9.238 -3.977 1.00 2.70 H new ATOM 1118 N GLY A 75 -10.838 -6.318 -5.659 1.00 2.11 N ATOM 1119 CA GLY A 75 -10.957 -5.107 -6.454 1.00 2.93 C ATOM 1120 C GLY A 75 -10.629 -5.458 -7.903 1.00 2.94 C ATOM 1121 O GLY A 75 -11.436 -6.112 -8.559 1.00 3.46 O ATOM 0 H GLY A 75 -11.192 -7.145 -6.140 1.00 2.11 H new ATOM 0 HA2 GLY A 75 -11.966 -4.700 -6.380 1.00 2.93 H new ATOM 0 HA3 GLY A 75 -10.276 -4.340 -6.084 1.00 2.93 H new ATOM 1125 N ARG A 76 -9.427 -5.084 -8.358 1.00 3.19 N ATOM 1126 CA ARG A 76 -9.042 -5.075 -9.766 1.00 3.73 C ATOM 1127 C ARG A 76 -9.962 -4.140 -10.558 1.00 4.64 C ATOM 1128 O ARG A 76 -10.167 -4.413 -11.761 1.00 5.35 O ATOM 1129 CB ARG A 76 -8.968 -6.488 -10.371 1.00 3.77 C ATOM 1130 CG ARG A 76 -7.922 -7.365 -9.671 1.00 4.78 C ATOM 1131 CD ARG A 76 -7.679 -8.640 -10.488 1.00 5.80 C ATOM 1132 NE ARG A 76 -6.547 -9.411 -9.950 1.00 6.99 N ATOM 1133 CZ ARG A 76 -5.918 -10.404 -10.602 1.00 8.28 C ATOM 1134 NH1 ARG A 76 -6.383 -10.824 -11.783 1.00 8.58 N ATOM 1135 NH2 ARG A 76 -4.826 -10.967 -10.073 1.00 9.59 N ATOM 1136 OXT ARG A 76 -10.412 -3.145 -9.949 1.00 5.54 O ATOM 0 H ARG A 76 -8.680 -4.772 -7.738 1.00 3.19 H new ATOM 0 HA ARG A 76 -8.027 -4.684 -9.834 1.00 3.73 H new ATOM 0 HB2 ARG A 76 -9.946 -6.964 -10.298 1.00 3.77 H new ATOM 0 HB3 ARG A 76 -8.727 -6.415 -11.432 1.00 3.77 H new ATOM 0 HG2 ARG A 76 -6.989 -6.813 -9.557 1.00 4.78 H new ATOM 0 HG3 ARG A 76 -8.264 -7.624 -8.669 1.00 4.78 H new ATOM 0 HD2 ARG A 76 -8.578 -9.256 -10.481 1.00 5.80 H new ATOM 0 HD3 ARG A 76 -7.482 -8.377 -11.527 1.00 5.80 H new ATOM 0 HE ARG A 76 -6.216 -9.175 -9.015 1.00 6.99 H new ATOM 0 HH11 ARG A 76 -7.213 -10.391 -12.187 1.00 8.58 H new ATOM 0 HH12 ARG A 76 -5.907 -11.577 -12.280 1.00 8.58 H new ATOM 0 HH21 ARG A 76 -4.470 -10.643 -9.174 1.00 9.59 H new ATOM 0 HH22 ARG A 76 -4.350 -11.720 -10.569 1.00 9.59 H new TER 1150 ARG A 76