USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 11 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.53) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc=-0.00013 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.224 (180deg=-0.0637) USER MOD Single : A 3 SER OG : rot -95:sc= 1.3 USER MOD Single : A 5 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 17:sc= 0.709 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0087 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -108:sc= -1.47 (180deg=-5.32!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.028) USER MOD Single : A 40 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.1) USER MOD Single : A 43 THR OG1 : rot -44:sc= 0.199 USER MOD Single : A 47 ASN : amide:sc= 0.674 K(o=0.67,f=-0.0035) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot -170:sc= 0.0206 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 61 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -49:sc= -0.0691 USER MOD Single : A 70 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.846 20.643 17.159 1.00 5.32 N ATOM 2 CA MET A 1 -1.850 19.202 16.854 1.00 4.06 C ATOM 3 C MET A 1 -1.337 19.073 15.424 1.00 2.86 C ATOM 4 O MET A 1 -1.527 20.021 14.665 1.00 3.79 O ATOM 5 CB MET A 1 -3.263 18.620 17.000 1.00 5.37 C ATOM 6 CG MET A 1 -3.660 18.447 18.473 1.00 6.57 C ATOM 7 SD MET A 1 -5.413 18.092 18.745 1.00 8.59 S ATOM 8 CE MET A 1 -5.418 17.907 20.543 1.00 9.59 C ATOM 0 H1 MET A 1 -1.037 20.865 17.774 1.00 5.32 H new ATOM 0 H2 MET A 1 -1.768 21.185 16.275 1.00 5.32 H new ATOM 0 H3 MET A 1 -2.730 20.898 17.644 1.00 5.32 H new ATOM 0 HA MET A 1 -1.219 18.643 17.545 1.00 4.06 H new ATOM 0 HB2 MET A 1 -3.979 19.276 16.505 1.00 5.37 H new ATOM 0 HB3 MET A 1 -3.313 17.656 16.495 1.00 5.37 H new ATOM 0 HG2 MET A 1 -3.068 17.638 18.902 1.00 6.57 H new ATOM 0 HG3 MET A 1 -3.399 19.356 19.015 1.00 6.57 H new ATOM 0 HE1 MET A 1 -6.429 17.683 20.883 1.00 9.59 H new ATOM 0 HE2 MET A 1 -4.751 17.093 20.827 1.00 9.59 H new ATOM 0 HE3 MET A 1 -5.076 18.833 21.005 1.00 9.59 H new ATOM 20 N LEU A 2 -0.649 17.981 15.088 1.00 1.82 N ATOM 21 CA LEU A 2 -0.017 17.793 13.793 1.00 1.53 C ATOM 22 C LEU A 2 0.225 16.292 13.641 1.00 1.33 C ATOM 23 O LEU A 2 0.510 15.622 14.632 1.00 2.13 O ATOM 24 CB LEU A 2 1.300 18.598 13.730 1.00 2.66 C ATOM 25 CG LEU A 2 1.458 19.431 12.447 1.00 4.06 C ATOM 26 CD1 LEU A 2 2.573 20.465 12.643 1.00 5.26 C ATOM 27 CD2 LEU A 2 1.797 18.563 11.229 1.00 5.28 C ATOM 0 H LEU A 2 -0.516 17.193 15.722 1.00 1.82 H new ATOM 0 HA LEU A 2 -0.643 18.154 12.977 1.00 1.53 H new ATOM 0 HB2 LEU A 2 1.350 19.263 14.592 1.00 2.66 H new ATOM 0 HB3 LEU A 2 2.140 17.909 13.810 1.00 2.66 H new ATOM 0 HG LEU A 2 0.503 19.920 12.257 1.00 4.06 H new ATOM 0 HD11 LEU A 2 2.685 21.056 11.734 1.00 5.26 H new ATOM 0 HD12 LEU A 2 2.317 21.123 13.474 1.00 5.26 H new ATOM 0 HD13 LEU A 2 3.510 19.953 12.861 1.00 5.26 H new ATOM 0 HD21 LEU A 2 1.899 19.196 10.348 1.00 5.28 H new ATOM 0 HD22 LEU A 2 2.734 18.036 11.407 1.00 5.28 H new ATOM 0 HD23 LEU A 2 0.999 17.839 11.065 1.00 5.28 H new ATOM 39 N SER A 3 0.081 15.780 12.422 1.00 1.03 N ATOM 40 CA SER A 3 0.338 14.410 12.049 1.00 0.74 C ATOM 41 C SER A 3 1.835 14.250 11.827 1.00 0.69 C ATOM 42 O SER A 3 2.420 14.965 11.012 1.00 0.86 O ATOM 43 CB SER A 3 -0.402 14.120 10.742 1.00 0.79 C ATOM 44 OG SER A 3 -1.794 14.122 10.978 1.00 0.99 O ATOM 0 H SER A 3 -0.235 16.346 11.634 1.00 1.03 H new ATOM 0 HA SER A 3 0.001 13.724 12.826 1.00 0.74 H new ATOM 0 HB2 SER A 3 -0.148 14.871 9.994 1.00 0.79 H new ATOM 0 HB3 SER A 3 -0.092 13.154 10.343 1.00 0.79 H new ATOM 0 HG SER A 3 -2.100 13.205 11.136 1.00 0.99 H new ATOM 50 N GLU A 4 2.431 13.280 12.512 1.00 0.60 N ATOM 51 CA GLU A 4 3.660 12.673 12.033 1.00 0.49 C ATOM 52 C GLU A 4 3.377 11.938 10.720 1.00 0.50 C ATOM 53 O GLU A 4 2.233 11.829 10.281 1.00 0.70 O ATOM 54 CB GLU A 4 4.261 11.730 13.088 1.00 0.52 C ATOM 55 CG GLU A 4 5.429 12.337 13.855 1.00 0.85 C ATOM 56 CD GLU A 4 6.421 11.277 14.326 1.00 1.45 C ATOM 57 OE1 GLU A 4 7.158 10.759 13.456 1.00 2.86 O ATOM 58 OE2 GLU A 4 6.422 10.994 15.542 1.00 1.75 O ATOM 0 H GLU A 4 2.084 12.902 13.393 1.00 0.60 H new ATOM 0 HA GLU A 4 4.399 13.453 11.850 1.00 0.49 H new ATOM 0 HB2 GLU A 4 3.482 11.446 13.795 1.00 0.52 H new ATOM 0 HB3 GLU A 4 4.595 10.816 12.598 1.00 0.52 H new ATOM 0 HG2 GLU A 4 5.944 13.057 13.219 1.00 0.85 H new ATOM 0 HG3 GLU A 4 5.050 12.886 14.717 1.00 0.85 H new ATOM 65 N GLN A 5 4.436 11.419 10.107 1.00 0.42 N ATOM 66 CA GLN A 5 4.372 10.493 8.994 1.00 0.40 C ATOM 67 C GLN A 5 5.375 9.391 9.285 1.00 0.39 C ATOM 68 O GLN A 5 6.398 9.682 9.897 1.00 0.46 O ATOM 69 CB GLN A 5 4.767 11.193 7.695 1.00 0.45 C ATOM 70 CG GLN A 5 3.700 12.165 7.175 1.00 0.58 C ATOM 71 CD GLN A 5 3.099 11.643 5.878 1.00 0.78 C ATOM 72 OE1 GLN A 5 3.116 12.324 4.861 1.00 1.56 O ATOM 73 NE2 GLN A 5 2.603 10.408 5.894 1.00 0.56 N ATOM 0 H GLN A 5 5.392 11.642 10.385 1.00 0.42 H new ATOM 0 HA GLN A 5 3.361 10.103 8.879 1.00 0.40 H new ATOM 0 HB2 GLN A 5 5.697 11.738 7.854 1.00 0.45 H new ATOM 0 HB3 GLN A 5 4.965 10.441 6.932 1.00 0.45 H new ATOM 0 HG2 GLN A 5 2.917 12.290 7.923 1.00 0.58 H new ATOM 0 HG3 GLN A 5 4.142 13.147 7.010 1.00 0.58 H new ATOM 0 HE21 GLN A 5 2.605 9.869 6.760 1.00 0.56 H new ATOM 0 HE22 GLN A 5 2.221 10.001 5.040 1.00 0.56 H new ATOM 82 N LYS A 6 5.114 8.168 8.828 1.00 0.35 N ATOM 83 CA LYS A 6 6.110 7.109 8.759 1.00 0.34 C ATOM 84 C LYS A 6 5.957 6.346 7.451 1.00 0.30 C ATOM 85 O LYS A 6 4.884 6.325 6.842 1.00 0.29 O ATOM 86 CB LYS A 6 5.986 6.117 9.921 1.00 0.44 C ATOM 87 CG LYS A 6 6.507 6.658 11.258 1.00 0.90 C ATOM 88 CD LYS A 6 8.046 6.698 11.304 1.00 1.41 C ATOM 89 CE LYS A 6 8.562 8.132 11.489 1.00 2.75 C ATOM 90 NZ LYS A 6 10.018 8.182 11.686 1.00 3.87 N ATOM 0 H LYS A 6 4.194 7.885 8.492 1.00 0.35 H new ATOM 0 HA LYS A 6 7.089 7.585 8.820 1.00 0.34 H new ATOM 0 HB2 LYS A 6 4.939 5.837 10.037 1.00 0.44 H new ATOM 0 HB3 LYS A 6 6.533 5.208 9.670 1.00 0.44 H new ATOM 0 HG2 LYS A 6 6.113 7.661 11.421 1.00 0.90 H new ATOM 0 HG3 LYS A 6 6.136 6.034 12.071 1.00 0.90 H new ATOM 0 HD2 LYS A 6 8.404 6.072 12.122 1.00 1.41 H new ATOM 0 HD3 LYS A 6 8.450 6.280 10.382 1.00 1.41 H new ATOM 0 HE2 LYS A 6 8.296 8.727 10.615 1.00 2.75 H new ATOM 0 HE3 LYS A 6 8.066 8.586 12.347 1.00 2.75 H new ATOM 0 HZ1 LYS A 6 10.318 9.170 11.806 1.00 3.87 H new ATOM 0 HZ2 LYS A 6 10.272 7.637 12.535 1.00 3.87 H new ATOM 0 HZ3 LYS A 6 10.495 7.774 10.857 1.00 3.87 H new ATOM 104 N GLU A 7 7.066 5.714 7.079 1.00 0.33 N ATOM 105 CA GLU A 7 7.306 4.935 5.886 1.00 0.33 C ATOM 106 C GLU A 7 7.443 3.472 6.302 1.00 0.38 C ATOM 107 O GLU A 7 8.481 3.075 6.829 1.00 0.62 O ATOM 108 CB GLU A 7 8.597 5.420 5.187 1.00 0.37 C ATOM 109 CG GLU A 7 9.077 6.837 5.554 1.00 0.45 C ATOM 110 CD GLU A 7 9.919 6.889 6.837 1.00 0.65 C ATOM 111 OE1 GLU A 7 9.331 6.760 7.938 1.00 0.90 O ATOM 112 OE2 GLU A 7 11.147 7.062 6.702 1.00 1.61 O ATOM 0 H GLU A 7 7.897 5.743 7.670 1.00 0.33 H new ATOM 0 HA GLU A 7 6.481 5.049 5.183 1.00 0.33 H new ATOM 0 HB2 GLU A 7 9.397 4.717 5.418 1.00 0.37 H new ATOM 0 HB3 GLU A 7 8.439 5.380 4.109 1.00 0.37 H new ATOM 0 HG2 GLU A 7 9.664 7.238 4.728 1.00 0.45 H new ATOM 0 HG3 GLU A 7 8.209 7.486 5.673 1.00 0.45 H new ATOM 119 N ILE A 8 6.416 2.654 6.071 1.00 0.33 N ATOM 120 CA ILE A 8 6.581 1.211 6.215 1.00 0.36 C ATOM 121 C ILE A 8 7.145 0.642 4.913 1.00 0.31 C ATOM 122 O ILE A 8 7.129 1.328 3.889 1.00 0.30 O ATOM 123 CB ILE A 8 5.287 0.547 6.706 1.00 0.59 C ATOM 124 CG1 ILE A 8 4.094 0.659 5.759 1.00 2.33 C ATOM 125 CG2 ILE A 8 4.882 1.101 8.061 1.00 1.65 C ATOM 126 CD1 ILE A 8 4.283 -0.309 4.604 1.00 4.78 C ATOM 0 H ILE A 8 5.483 2.957 5.790 1.00 0.33 H new ATOM 0 HA ILE A 8 7.307 0.983 6.995 1.00 0.36 H new ATOM 0 HB ILE A 8 5.536 -0.513 6.764 1.00 0.59 H new ATOM 0 HG12 ILE A 8 3.170 0.434 6.291 1.00 2.33 H new ATOM 0 HG13 ILE A 8 4.006 1.679 5.384 1.00 2.33 H new ATOM 0 HG21 ILE A 8 3.963 0.618 8.392 1.00 1.65 H new ATOM 0 HG22 ILE A 8 5.674 0.908 8.785 1.00 1.65 H new ATOM 0 HG23 ILE A 8 4.718 2.176 7.981 1.00 1.65 H new ATOM 0 HD11 ILE A 8 3.434 -0.234 3.924 1.00 4.78 H new ATOM 0 HD12 ILE A 8 5.200 -0.062 4.069 1.00 4.78 H new ATOM 0 HD13 ILE A 8 4.350 -1.326 4.989 1.00 4.78 H new ATOM 138 N ALA A 9 7.638 -0.599 4.947 1.00 0.35 N ATOM 139 CA ALA A 9 8.087 -1.344 3.779 1.00 0.36 C ATOM 140 C ALA A 9 7.561 -2.769 3.933 1.00 0.47 C ATOM 141 O ALA A 9 7.879 -3.401 4.934 1.00 0.78 O ATOM 142 CB ALA A 9 9.619 -1.343 3.732 1.00 0.42 C ATOM 0 H ALA A 9 7.737 -1.124 5.816 1.00 0.35 H new ATOM 0 HA ALA A 9 7.720 -0.898 2.855 1.00 0.36 H new ATOM 0 HB1 ALA A 9 9.957 -1.900 2.858 1.00 0.42 H new ATOM 0 HB2 ALA A 9 9.980 -0.317 3.670 1.00 0.42 H new ATOM 0 HB3 ALA A 9 10.011 -1.811 4.635 1.00 0.42 H new ATOM 148 N MET A 10 6.729 -3.269 3.013 1.00 0.29 N ATOM 149 CA MET A 10 6.144 -4.610 3.126 1.00 0.32 C ATOM 150 C MET A 10 6.177 -5.321 1.775 1.00 0.24 C ATOM 151 O MET A 10 6.542 -4.713 0.768 1.00 0.24 O ATOM 152 CB MET A 10 4.722 -4.527 3.706 1.00 0.51 C ATOM 153 CG MET A 10 4.743 -4.122 5.186 1.00 1.76 C ATOM 154 SD MET A 10 5.545 -5.278 6.329 1.00 4.25 S ATOM 155 CE MET A 10 5.672 -4.213 7.781 1.00 5.22 C ATOM 0 H MET A 10 6.444 -2.761 2.176 1.00 0.29 H new ATOM 0 HA MET A 10 6.741 -5.204 3.818 1.00 0.32 H new ATOM 0 HB2 MET A 10 4.137 -3.804 3.138 1.00 0.51 H new ATOM 0 HB3 MET A 10 4.227 -5.492 3.598 1.00 0.51 H new ATOM 0 HG2 MET A 10 5.244 -3.157 5.269 1.00 1.76 H new ATOM 0 HG3 MET A 10 3.714 -3.976 5.514 1.00 1.76 H new ATOM 0 HE1 MET A 10 6.146 -4.762 8.594 1.00 5.22 H new ATOM 0 HE2 MET A 10 6.271 -3.336 7.537 1.00 5.22 H new ATOM 0 HE3 MET A 10 4.675 -3.897 8.089 1.00 5.22 H new ATOM 165 N GLN A 11 5.821 -6.609 1.763 1.00 0.27 N ATOM 166 CA GLN A 11 5.833 -7.441 0.570 1.00 0.28 C ATOM 167 C GLN A 11 4.467 -7.399 -0.110 1.00 0.25 C ATOM 168 O GLN A 11 3.468 -7.068 0.522 1.00 0.26 O ATOM 169 CB GLN A 11 6.219 -8.885 0.952 1.00 0.34 C ATOM 170 CG GLN A 11 7.734 -9.117 1.014 1.00 0.68 C ATOM 171 CD GLN A 11 8.408 -8.679 -0.276 1.00 1.15 C ATOM 172 OE1 GLN A 11 9.346 -7.890 -0.255 1.00 2.37 O ATOM 173 NE2 GLN A 11 7.852 -9.100 -1.406 1.00 0.79 N ATOM 0 H GLN A 11 5.512 -7.105 2.599 1.00 0.27 H new ATOM 0 HA GLN A 11 6.572 -7.060 -0.135 1.00 0.28 H new ATOM 0 HB2 GLN A 11 5.783 -9.125 1.922 1.00 0.34 H new ATOM 0 HB3 GLN A 11 5.783 -9.573 0.227 1.00 0.34 H new ATOM 0 HG2 GLN A 11 8.156 -8.565 1.854 1.00 0.68 H new ATOM 0 HG3 GLN A 11 7.936 -10.173 1.193 1.00 0.68 H new ATOM 0 HE21 GLN A 11 7.073 -9.757 -1.377 1.00 0.79 H new ATOM 0 HE22 GLN A 11 8.204 -8.766 -2.303 1.00 0.79 H new ATOM 182 N VAL A 12 4.421 -7.732 -1.402 1.00 0.31 N ATOM 183 CA VAL A 12 3.217 -7.676 -2.225 1.00 0.35 C ATOM 184 C VAL A 12 2.873 -9.088 -2.705 1.00 0.32 C ATOM 185 O VAL A 12 3.754 -9.942 -2.799 1.00 0.41 O ATOM 186 CB VAL A 12 3.461 -6.703 -3.394 1.00 0.53 C ATOM 187 CG1 VAL A 12 2.173 -6.460 -4.188 1.00 1.12 C ATOM 188 CG2 VAL A 12 3.961 -5.349 -2.874 1.00 1.11 C ATOM 0 H VAL A 12 5.241 -8.056 -1.915 1.00 0.31 H new ATOM 0 HA VAL A 12 2.365 -7.306 -1.654 1.00 0.35 H new ATOM 0 HB VAL A 12 4.211 -7.159 -4.040 1.00 0.53 H new ATOM 0 HG11 VAL A 12 2.375 -5.769 -5.007 1.00 1.12 H new ATOM 0 HG12 VAL A 12 1.811 -7.405 -4.592 1.00 1.12 H new ATOM 0 HG13 VAL A 12 1.416 -6.032 -3.531 1.00 1.12 H new ATOM 0 HG21 VAL A 12 4.128 -4.675 -3.715 1.00 1.11 H new ATOM 0 HG22 VAL A 12 3.215 -4.918 -2.206 1.00 1.11 H new ATOM 0 HG23 VAL A 12 4.896 -5.490 -2.332 1.00 1.11 H new ATOM 198 N SER A 13 1.598 -9.365 -2.993 1.00 0.37 N ATOM 199 CA SER A 13 1.152 -10.605 -3.615 1.00 0.40 C ATOM 200 C SER A 13 -0.095 -10.324 -4.457 1.00 0.48 C ATOM 201 O SER A 13 -0.560 -9.187 -4.520 1.00 0.64 O ATOM 202 CB SER A 13 0.913 -11.663 -2.531 1.00 0.50 C ATOM 203 OG SER A 13 2.154 -12.102 -2.015 1.00 0.93 O ATOM 0 H SER A 13 0.835 -8.717 -2.794 1.00 0.37 H new ATOM 0 HA SER A 13 1.915 -11.001 -4.285 1.00 0.40 H new ATOM 0 HB2 SER A 13 0.302 -11.246 -1.730 1.00 0.50 H new ATOM 0 HB3 SER A 13 0.362 -12.506 -2.947 1.00 0.50 H new ATOM 0 HG SER A 13 2.854 -11.459 -2.255 1.00 0.93 H new ATOM 209 N GLY A 14 -0.603 -11.328 -5.179 1.00 0.56 N ATOM 210 CA GLY A 14 -1.778 -11.180 -6.036 1.00 0.70 C ATOM 211 C GLY A 14 -1.434 -10.580 -7.404 1.00 0.81 C ATOM 212 O GLY A 14 -2.027 -10.962 -8.409 1.00 2.01 O ATOM 0 H GLY A 14 -0.208 -12.268 -5.184 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.246 -12.154 -6.177 1.00 0.70 H new ATOM 0 HA3 GLY A 14 -2.510 -10.544 -5.537 1.00 0.70 H new ATOM 216 N MET A 15 -0.484 -9.639 -7.431 1.00 0.95 N ATOM 217 CA MET A 15 0.023 -8.978 -8.627 1.00 0.82 C ATOM 218 C MET A 15 0.245 -9.929 -9.814 1.00 0.87 C ATOM 219 O MET A 15 0.682 -11.066 -9.637 1.00 1.02 O ATOM 220 CB MET A 15 1.314 -8.222 -8.263 1.00 0.80 C ATOM 221 CG MET A 15 2.516 -9.152 -8.036 1.00 0.76 C ATOM 222 SD MET A 15 3.529 -9.460 -9.509 1.00 1.33 S ATOM 223 CE MET A 15 4.487 -10.880 -8.936 1.00 1.81 C ATOM 0 H MET A 15 -0.031 -9.306 -6.580 1.00 0.95 H new ATOM 0 HA MET A 15 -0.740 -8.279 -8.969 1.00 0.82 H new ATOM 0 HB2 MET A 15 1.553 -7.518 -9.061 1.00 0.80 H new ATOM 0 HB3 MET A 15 1.142 -7.635 -7.361 1.00 0.80 H new ATOM 0 HG2 MET A 15 3.149 -8.721 -7.260 1.00 0.76 H new ATOM 0 HG3 MET A 15 2.152 -10.107 -7.656 1.00 0.76 H new ATOM 0 HE1 MET A 15 5.167 -11.202 -9.724 1.00 1.81 H new ATOM 0 HE2 MET A 15 5.062 -10.599 -8.053 1.00 1.81 H new ATOM 0 HE3 MET A 15 3.811 -11.697 -8.684 1.00 1.81 H new ATOM 233 N THR A 16 -0.031 -9.431 -11.023 1.00 0.92 N ATOM 234 CA THR A 16 0.301 -10.070 -12.293 1.00 1.09 C ATOM 235 C THR A 16 1.400 -9.306 -13.036 1.00 0.93 C ATOM 236 O THR A 16 2.350 -9.931 -13.502 1.00 1.34 O ATOM 237 CB THR A 16 -0.959 -10.235 -13.160 1.00 1.55 C ATOM 238 OG1 THR A 16 -1.921 -9.264 -12.796 1.00 1.73 O ATOM 239 CG2 THR A 16 -1.579 -11.621 -12.965 1.00 2.27 C ATOM 0 H THR A 16 -0.510 -8.539 -11.145 1.00 0.92 H new ATOM 0 HA THR A 16 0.695 -11.064 -12.079 1.00 1.09 H new ATOM 0 HB THR A 16 -0.666 -10.112 -14.203 1.00 1.55 H new ATOM 0 HG1 THR A 16 -2.721 -9.372 -13.352 1.00 1.73 H new ATOM 0 HG21 THR A 16 -2.468 -11.713 -13.589 1.00 2.27 H new ATOM 0 HG22 THR A 16 -0.856 -12.386 -13.249 1.00 2.27 H new ATOM 0 HG23 THR A 16 -1.855 -11.752 -11.919 1.00 2.27 H new ATOM 247 N CYS A 17 1.271 -7.981 -13.181 1.00 0.84 N ATOM 248 CA CYS A 17 2.211 -7.167 -13.938 1.00 1.33 C ATOM 249 C CYS A 17 2.649 -5.950 -13.128 1.00 1.28 C ATOM 250 O CYS A 17 1.988 -5.551 -12.165 1.00 2.05 O ATOM 251 CB CYS A 17 1.585 -6.776 -15.284 1.00 1.72 C ATOM 252 SG CYS A 17 0.253 -5.560 -15.075 1.00 1.70 S ATOM 0 H CYS A 17 0.505 -7.447 -12.771 1.00 0.84 H new ATOM 0 HA CYS A 17 3.111 -7.746 -14.142 1.00 1.33 H new ATOM 0 HB2 CYS A 17 2.354 -6.365 -15.938 1.00 1.72 H new ATOM 0 HB3 CYS A 17 1.192 -7.666 -15.775 1.00 1.72 H new ATOM 257 N ALA A 18 3.763 -5.339 -13.538 1.00 1.42 N ATOM 258 CA ALA A 18 4.330 -4.158 -12.902 1.00 1.42 C ATOM 259 C ALA A 18 3.540 -2.903 -13.294 1.00 1.31 C ATOM 260 O ALA A 18 4.110 -1.940 -13.803 1.00 2.21 O ATOM 261 CB ALA A 18 5.811 -4.047 -13.285 1.00 1.77 C ATOM 0 H ALA A 18 4.304 -5.662 -14.340 1.00 1.42 H new ATOM 0 HA ALA A 18 4.260 -4.250 -11.818 1.00 1.42 H new ATOM 0 HB1 ALA A 18 6.244 -3.165 -12.813 1.00 1.77 H new ATOM 0 HB2 ALA A 18 6.342 -4.937 -12.947 1.00 1.77 H new ATOM 0 HB3 ALA A 18 5.901 -3.960 -14.368 1.00 1.77 H new ATOM 267 N ALA A 19 2.228 -2.914 -13.049 1.00 0.73 N ATOM 268 CA ALA A 19 1.337 -1.795 -13.321 1.00 0.64 C ATOM 269 C ALA A 19 0.268 -1.711 -12.237 1.00 0.51 C ATOM 270 O ALA A 19 0.130 -0.679 -11.582 1.00 0.55 O ATOM 271 CB ALA A 19 0.716 -1.926 -14.716 1.00 0.86 C ATOM 0 H ALA A 19 1.750 -3.720 -12.647 1.00 0.73 H new ATOM 0 HA ALA A 19 1.911 -0.868 -13.307 1.00 0.64 H new ATOM 0 HB1 ALA A 19 0.053 -1.080 -14.900 1.00 0.86 H new ATOM 0 HB2 ALA A 19 1.506 -1.938 -15.466 1.00 0.86 H new ATOM 0 HB3 ALA A 19 0.146 -2.853 -14.775 1.00 0.86 H new ATOM 277 N CYS A 20 -0.490 -2.790 -12.023 1.00 0.49 N ATOM 278 CA CYS A 20 -1.624 -2.779 -11.104 1.00 0.43 C ATOM 279 C CYS A 20 -1.217 -2.333 -9.696 1.00 0.30 C ATOM 280 O CYS A 20 -1.908 -1.538 -9.057 1.00 0.33 O ATOM 281 CB CYS A 20 -2.301 -4.153 -11.086 1.00 0.57 C ATOM 282 SG CYS A 20 -2.778 -4.652 -12.763 1.00 1.19 S ATOM 0 H CYS A 20 -0.334 -3.688 -12.480 1.00 0.49 H new ATOM 0 HA CYS A 20 -2.344 -2.044 -11.465 1.00 0.43 H new ATOM 0 HB2 CYS A 20 -1.623 -4.893 -10.660 1.00 0.57 H new ATOM 0 HB3 CYS A 20 -3.182 -4.122 -10.446 1.00 0.57 H new ATOM 287 N ALA A 21 -0.057 -2.800 -9.236 1.00 0.31 N ATOM 288 CA ALA A 21 0.489 -2.429 -7.939 1.00 0.34 C ATOM 289 C ALA A 21 0.646 -0.906 -7.785 1.00 0.29 C ATOM 290 O ALA A 21 0.648 -0.385 -6.676 1.00 0.38 O ATOM 291 CB ALA A 21 1.813 -3.161 -7.722 1.00 0.50 C ATOM 0 H ALA A 21 0.531 -3.450 -9.758 1.00 0.31 H new ATOM 0 HA ALA A 21 -0.217 -2.734 -7.166 1.00 0.34 H new ATOM 0 HB1 ALA A 21 2.226 -2.886 -6.751 1.00 0.50 H new ATOM 0 HB2 ALA A 21 1.643 -4.237 -7.752 1.00 0.50 H new ATOM 0 HB3 ALA A 21 2.516 -2.882 -8.507 1.00 0.50 H new ATOM 297 N ALA A 22 0.771 -0.157 -8.882 1.00 0.28 N ATOM 298 CA ALA A 22 0.767 1.293 -8.808 1.00 0.35 C ATOM 299 C ALA A 22 -0.624 1.764 -8.390 1.00 0.34 C ATOM 300 O ALA A 22 -0.776 2.543 -7.448 1.00 0.37 O ATOM 301 CB ALA A 22 1.154 1.878 -10.169 1.00 0.42 C ATOM 0 H ALA A 22 0.875 -0.534 -9.824 1.00 0.28 H new ATOM 0 HA ALA A 22 1.493 1.634 -8.070 1.00 0.35 H new ATOM 0 HB1 ALA A 22 1.150 2.966 -10.111 1.00 0.42 H new ATOM 0 HB2 ALA A 22 2.151 1.532 -10.443 1.00 0.42 H new ATOM 0 HB3 ALA A 22 0.437 1.552 -10.922 1.00 0.42 H new ATOM 307 N ARG A 23 -1.643 1.299 -9.117 1.00 0.34 N ATOM 308 CA ARG A 23 -3.020 1.721 -8.923 1.00 0.36 C ATOM 309 C ARG A 23 -3.427 1.536 -7.470 1.00 0.35 C ATOM 310 O ARG A 23 -3.999 2.456 -6.886 1.00 0.40 O ATOM 311 CB ARG A 23 -3.955 0.944 -9.857 1.00 0.40 C ATOM 312 CG ARG A 23 -3.821 1.430 -11.307 1.00 0.62 C ATOM 313 CD ARG A 23 -3.957 0.267 -12.298 1.00 1.67 C ATOM 314 NE ARG A 23 -4.526 0.704 -13.583 1.00 2.25 N ATOM 315 CZ ARG A 23 -5.839 0.835 -13.835 1.00 2.78 C ATOM 316 NH1 ARG A 23 -6.728 0.622 -12.857 1.00 3.61 N ATOM 317 NH2 ARG A 23 -6.255 1.184 -15.057 1.00 3.75 N ATOM 0 H ARG A 23 -1.527 0.612 -9.862 1.00 0.34 H new ATOM 0 HA ARG A 23 -3.101 2.780 -9.169 1.00 0.36 H new ATOM 0 HB2 ARG A 23 -3.724 -0.120 -9.804 1.00 0.40 H new ATOM 0 HB3 ARG A 23 -4.986 1.063 -9.525 1.00 0.40 H new ATOM 0 HG2 ARG A 23 -4.586 2.179 -11.514 1.00 0.62 H new ATOM 0 HG3 ARG A 23 -2.854 1.915 -11.443 1.00 0.62 H new ATOM 0 HD2 ARG A 23 -2.978 -0.181 -12.468 1.00 1.67 H new ATOM 0 HD3 ARG A 23 -4.591 -0.507 -11.865 1.00 1.67 H new ATOM 0 HE ARG A 23 -3.876 0.923 -14.338 1.00 2.25 H new ATOM 0 HH11 ARG A 23 -6.408 0.361 -11.924 1.00 3.61 H new ATOM 0 HH12 ARG A 23 -7.726 0.721 -13.044 1.00 3.61 H new ATOM 0 HH21 ARG A 23 -5.575 1.351 -15.799 1.00 3.75 H new ATOM 0 HH22 ARG A 23 -7.252 1.283 -15.247 1.00 3.75 H new ATOM 331 N ILE A 24 -3.126 0.372 -6.882 1.00 0.34 N ATOM 332 CA ILE A 24 -3.500 0.146 -5.493 1.00 0.37 C ATOM 333 C ILE A 24 -2.888 1.211 -4.585 1.00 0.35 C ATOM 334 O ILE A 24 -3.632 1.891 -3.897 1.00 0.36 O ATOM 335 CB ILE A 24 -3.294 -1.293 -5.018 1.00 0.39 C ATOM 336 CG1 ILE A 24 -1.830 -1.559 -4.693 1.00 0.40 C ATOM 337 CG2 ILE A 24 -3.889 -2.264 -6.040 1.00 0.50 C ATOM 338 CD1 ILE A 24 -1.481 -3.022 -4.466 1.00 0.41 C ATOM 0 H ILE A 24 -2.640 -0.402 -7.334 1.00 0.34 H new ATOM 0 HA ILE A 24 -4.581 0.267 -5.426 1.00 0.37 H new ATOM 0 HB ILE A 24 -3.829 -1.454 -4.082 1.00 0.39 H new ATOM 0 HG12 ILE A 24 -1.216 -1.176 -5.509 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.562 -0.994 -3.800 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.740 -3.288 -5.698 1.00 0.50 H new ATOM 0 HG22 ILE A 24 -4.956 -2.069 -6.149 1.00 0.50 H new ATOM 0 HG23 ILE A 24 -3.395 -2.127 -7.002 1.00 0.50 H new ATOM 0 HD11 ILE A 24 -0.418 -3.112 -4.241 1.00 0.41 H new ATOM 0 HD12 ILE A 24 -2.063 -3.409 -3.630 1.00 0.41 H new ATOM 0 HD13 ILE A 24 -1.711 -3.595 -5.364 1.00 0.41 H new ATOM 350 N GLU A 25 -1.573 1.424 -4.624 1.00 0.34 N ATOM 351 CA GLU A 25 -0.926 2.463 -3.828 1.00 0.34 C ATOM 352 C GLU A 25 -1.546 3.843 -4.078 1.00 0.35 C ATOM 353 O GLU A 25 -1.782 4.598 -3.134 1.00 0.36 O ATOM 354 CB GLU A 25 0.591 2.453 -4.080 1.00 0.33 C ATOM 355 CG GLU A 25 1.327 1.615 -3.023 1.00 0.35 C ATOM 356 CD GLU A 25 0.719 0.234 -2.828 1.00 1.13 C ATOM 357 OE1 GLU A 25 1.070 -0.658 -3.624 1.00 2.60 O ATOM 358 OE2 GLU A 25 -0.076 0.098 -1.872 1.00 1.96 O ATOM 0 H GLU A 25 -0.931 0.884 -5.205 1.00 0.34 H new ATOM 0 HA GLU A 25 -1.094 2.243 -2.774 1.00 0.34 H new ATOM 0 HB2 GLU A 25 0.794 2.051 -5.072 1.00 0.33 H new ATOM 0 HB3 GLU A 25 0.971 3.475 -4.066 1.00 0.33 H new ATOM 0 HG2 GLU A 25 2.371 1.508 -3.316 1.00 0.35 H new ATOM 0 HG3 GLU A 25 1.315 2.148 -2.072 1.00 0.35 H new ATOM 365 N LYS A 26 -1.816 4.200 -5.336 1.00 0.36 N ATOM 366 CA LYS A 26 -2.321 5.541 -5.620 1.00 0.40 C ATOM 367 C LYS A 26 -3.744 5.708 -5.076 1.00 0.43 C ATOM 368 O LYS A 26 -4.051 6.712 -4.435 1.00 0.51 O ATOM 369 CB LYS A 26 -2.219 5.936 -7.097 1.00 0.44 C ATOM 370 CG LYS A 26 -0.821 6.472 -7.467 1.00 0.65 C ATOM 371 CD LYS A 26 0.158 5.326 -7.701 1.00 1.29 C ATOM 372 CE LYS A 26 1.485 5.762 -8.342 1.00 1.19 C ATOM 373 NZ LYS A 26 2.479 6.216 -7.344 1.00 1.44 N ATOM 0 H LYS A 26 -1.697 3.598 -6.151 1.00 0.36 H new ATOM 0 HA LYS A 26 -1.668 6.238 -5.096 1.00 0.40 H new ATOM 0 HB2 LYS A 26 -2.450 5.071 -7.718 1.00 0.44 H new ATOM 0 HB3 LYS A 26 -2.967 6.697 -7.319 1.00 0.44 H new ATOM 0 HG2 LYS A 26 -0.889 7.086 -8.365 1.00 0.65 H new ATOM 0 HG3 LYS A 26 -0.451 7.114 -6.668 1.00 0.65 H new ATOM 0 HD2 LYS A 26 0.368 4.840 -6.748 1.00 1.29 H new ATOM 0 HD3 LYS A 26 -0.316 4.581 -8.341 1.00 1.29 H new ATOM 0 HE2 LYS A 26 1.900 4.929 -8.910 1.00 1.19 H new ATOM 0 HE3 LYS A 26 1.294 6.568 -9.051 1.00 1.19 H new ATOM 0 HZ1 LYS A 26 3.354 6.498 -7.829 1.00 1.44 H new ATOM 0 HZ2 LYS A 26 2.097 7.028 -6.818 1.00 1.44 H new ATOM 0 HZ3 LYS A 26 2.685 5.441 -6.682 1.00 1.44 H new ATOM 387 N GLY A 27 -4.615 4.727 -5.322 1.00 0.46 N ATOM 388 CA GLY A 27 -5.961 4.722 -4.770 1.00 0.52 C ATOM 389 C GLY A 27 -5.913 4.651 -3.247 1.00 0.52 C ATOM 390 O GLY A 27 -6.685 5.318 -2.562 1.00 0.67 O ATOM 0 H GLY A 27 -4.403 3.919 -5.908 1.00 0.46 H new ATOM 0 HA2 GLY A 27 -6.492 5.622 -5.082 1.00 0.52 H new ATOM 0 HA3 GLY A 27 -6.518 3.871 -5.162 1.00 0.52 H new ATOM 394 N LEU A 28 -4.982 3.867 -2.707 1.00 0.44 N ATOM 395 CA LEU A 28 -4.800 3.706 -1.275 1.00 0.44 C ATOM 396 C LEU A 28 -4.474 5.073 -0.683 1.00 0.43 C ATOM 397 O LEU A 28 -5.080 5.467 0.304 1.00 0.53 O ATOM 398 CB LEU A 28 -3.740 2.623 -0.993 1.00 0.44 C ATOM 399 CG LEU A 28 -3.368 2.332 0.470 1.00 0.48 C ATOM 400 CD1 LEU A 28 -2.494 3.423 1.090 1.00 2.42 C ATOM 401 CD2 LEU A 28 -4.585 2.028 1.348 1.00 1.98 C ATOM 0 H LEU A 28 -4.326 3.320 -3.264 1.00 0.44 H new ATOM 0 HA LEU A 28 -5.708 3.349 -0.790 1.00 0.44 H new ATOM 0 HB2 LEU A 28 -4.089 1.692 -1.439 1.00 0.44 H new ATOM 0 HB3 LEU A 28 -2.828 2.906 -1.518 1.00 0.44 H new ATOM 0 HG LEU A 28 -2.767 1.423 0.435 1.00 0.48 H new ATOM 0 HD11 LEU A 28 -2.264 3.162 2.123 1.00 2.42 H new ATOM 0 HD12 LEU A 28 -1.567 3.512 0.523 1.00 2.42 H new ATOM 0 HD13 LEU A 28 -3.027 4.374 1.066 1.00 2.42 H new ATOM 0 HD21 LEU A 28 -4.257 1.831 2.369 1.00 1.98 H new ATOM 0 HD22 LEU A 28 -5.260 2.883 1.342 1.00 1.98 H new ATOM 0 HD23 LEU A 28 -5.105 1.153 0.959 1.00 1.98 H new ATOM 413 N LYS A 29 -3.588 5.846 -1.313 1.00 0.36 N ATOM 414 CA LYS A 29 -3.309 7.205 -0.861 1.00 0.40 C ATOM 415 C LYS A 29 -4.582 8.069 -0.753 1.00 0.44 C ATOM 416 O LYS A 29 -4.612 9.012 0.030 1.00 0.58 O ATOM 417 CB LYS A 29 -2.256 7.860 -1.763 1.00 0.45 C ATOM 418 CG LYS A 29 -1.691 9.136 -1.113 1.00 0.70 C ATOM 419 CD LYS A 29 -1.489 10.269 -2.131 1.00 0.79 C ATOM 420 CE LYS A 29 -0.115 10.173 -2.807 1.00 1.68 C ATOM 421 NZ LYS A 29 -0.128 10.555 -4.225 1.00 2.91 N ATOM 0 H LYS A 29 -3.055 5.554 -2.133 1.00 0.36 H new ATOM 0 HA LYS A 29 -2.906 7.137 0.150 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -1.446 7.156 -1.954 1.00 0.45 H new ATOM 0 HB3 LYS A 29 -2.700 8.105 -2.728 1.00 0.45 H new ATOM 0 HG2 LYS A 29 -2.369 9.472 -0.328 1.00 0.70 H new ATOM 0 HG3 LYS A 29 -0.739 8.906 -0.635 1.00 0.70 H new ATOM 0 HD2 LYS A 29 -2.273 10.225 -2.887 1.00 0.79 H new ATOM 0 HD3 LYS A 29 -1.583 11.232 -1.630 1.00 0.79 H new ATOM 0 HE2 LYS A 29 0.588 10.813 -2.274 1.00 1.68 H new ATOM 0 HE3 LYS A 29 0.253 9.151 -2.718 1.00 1.68 H new ATOM 0 HZ1 LYS A 29 0.831 10.467 -4.617 1.00 2.91 H new ATOM 0 HZ2 LYS A 29 -0.774 9.930 -4.747 1.00 2.91 H new ATOM 0 HZ3 LYS A 29 -0.450 11.540 -4.316 1.00 2.91 H new ATOM 435 N ARG A 30 -5.645 7.780 -1.511 1.00 0.45 N ATOM 436 CA ARG A 30 -6.886 8.544 -1.389 1.00 0.48 C ATOM 437 C ARG A 30 -7.634 8.254 -0.076 1.00 0.49 C ATOM 438 O ARG A 30 -8.616 8.933 0.222 1.00 0.52 O ATOM 439 CB ARG A 30 -7.781 8.329 -2.628 1.00 0.56 C ATOM 440 CG ARG A 30 -7.862 9.592 -3.495 1.00 0.79 C ATOM 441 CD ARG A 30 -6.557 9.807 -4.279 1.00 2.59 C ATOM 442 NE ARG A 30 -6.365 11.218 -4.657 1.00 2.91 N ATOM 443 CZ ARG A 30 -7.066 11.892 -5.584 1.00 3.13 C ATOM 444 NH1 ARG A 30 -8.033 11.274 -6.271 1.00 3.66 N ATOM 445 NH2 ARG A 30 -6.796 13.182 -5.815 1.00 3.61 N ATOM 0 H ARG A 30 -5.670 7.033 -2.205 1.00 0.45 H new ATOM 0 HA ARG A 30 -6.616 9.599 -1.348 1.00 0.48 H new ATOM 0 HB2 ARG A 30 -7.388 7.504 -3.222 1.00 0.56 H new ATOM 0 HB3 ARG A 30 -8.783 8.042 -2.308 1.00 0.56 H new ATOM 0 HG2 ARG A 30 -8.698 9.508 -4.189 1.00 0.79 H new ATOM 0 HG3 ARG A 30 -8.058 10.459 -2.864 1.00 0.79 H new ATOM 0 HD2 ARG A 30 -5.713 9.476 -3.675 1.00 2.59 H new ATOM 0 HD3 ARG A 30 -6.568 9.190 -5.177 1.00 2.59 H new ATOM 0 HE ARG A 30 -5.631 11.731 -4.169 1.00 2.91 H new ATOM 0 HH11 ARG A 30 -8.238 10.291 -6.091 1.00 3.66 H new ATOM 0 HH12 ARG A 30 -8.565 11.786 -6.975 1.00 3.66 H new ATOM 0 HH21 ARG A 30 -6.060 13.651 -5.288 1.00 3.61 H new ATOM 0 HH22 ARG A 30 -7.327 13.696 -6.518 1.00 3.61 H new ATOM 459 N MET A 31 -7.214 7.250 0.701 1.00 0.53 N ATOM 460 CA MET A 31 -7.858 6.876 1.952 1.00 0.60 C ATOM 461 C MET A 31 -7.558 7.892 3.068 1.00 0.58 C ATOM 462 O MET A 31 -6.548 8.592 3.002 1.00 0.56 O ATOM 463 CB MET A 31 -7.416 5.454 2.315 1.00 0.70 C ATOM 464 CG MET A 31 -6.051 5.379 3.006 1.00 1.79 C ATOM 465 SD MET A 31 -6.126 4.862 4.728 1.00 3.62 S ATOM 466 CE MET A 31 -6.810 3.217 4.452 1.00 3.48 C ATOM 0 H MET A 31 -6.407 6.671 0.471 1.00 0.53 H new ATOM 0 HA MET A 31 -8.941 6.888 1.832 1.00 0.60 H new ATOM 0 HB2 MET A 31 -8.166 5.008 2.968 1.00 0.70 H new ATOM 0 HB3 MET A 31 -7.385 4.852 1.407 1.00 0.70 H new ATOM 0 HG2 MET A 31 -5.416 4.684 2.457 1.00 1.79 H new ATOM 0 HG3 MET A 31 -5.574 6.358 2.952 1.00 1.79 H new ATOM 0 HE1 MET A 31 -7.850 3.196 4.779 1.00 3.48 H new ATOM 0 HE2 MET A 31 -6.759 2.975 3.390 1.00 3.48 H new ATOM 0 HE3 MET A 31 -6.236 2.484 5.019 1.00 3.48 H new ATOM 476 N PRO A 32 -8.386 7.970 4.120 1.00 0.69 N ATOM 477 CA PRO A 32 -8.109 8.838 5.248 1.00 0.74 C ATOM 478 C PRO A 32 -6.934 8.280 6.053 1.00 0.77 C ATOM 479 O PRO A 32 -7.033 7.211 6.650 1.00 1.05 O ATOM 480 CB PRO A 32 -9.395 8.875 6.069 1.00 0.90 C ATOM 481 CG PRO A 32 -10.024 7.518 5.778 1.00 0.92 C ATOM 482 CD PRO A 32 -9.617 7.228 4.333 1.00 0.82 C ATOM 0 HA PRO A 32 -7.824 9.844 4.941 1.00 0.74 H new ATOM 0 HB2 PRO A 32 -9.192 9.007 7.132 1.00 0.90 H new ATOM 0 HB3 PRO A 32 -10.045 9.695 5.765 1.00 0.90 H new ATOM 0 HG2 PRO A 32 -9.654 6.752 6.459 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -11.108 7.547 5.890 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -9.464 6.160 4.175 1.00 0.82 H new ATOM 0 HD3 PRO A 32 -10.392 7.545 3.636 1.00 0.82 H new ATOM 490 N GLY A 33 -5.827 9.019 6.067 1.00 0.85 N ATOM 491 CA GLY A 33 -4.678 8.754 6.926 1.00 0.78 C ATOM 492 C GLY A 33 -3.386 8.527 6.142 1.00 0.62 C ATOM 493 O GLY A 33 -2.305 8.844 6.646 1.00 0.64 O ATOM 0 H GLY A 33 -5.702 9.836 5.469 1.00 0.85 H new ATOM 0 HA2 GLY A 33 -4.540 9.593 7.608 1.00 0.78 H new ATOM 0 HA3 GLY A 33 -4.884 7.876 7.538 1.00 0.78 H new ATOM 497 N VAL A 34 -3.471 7.986 4.917 1.00 0.60 N ATOM 498 CA VAL A 34 -2.287 7.909 4.065 1.00 0.41 C ATOM 499 C VAL A 34 -2.094 9.239 3.342 1.00 0.42 C ATOM 500 O VAL A 34 -3.070 9.852 2.915 1.00 0.61 O ATOM 501 CB VAL A 34 -2.359 6.712 3.108 1.00 0.46 C ATOM 502 CG1 VAL A 34 -1.099 6.660 2.230 1.00 0.33 C ATOM 503 CG2 VAL A 34 -2.468 5.410 3.915 1.00 0.67 C ATOM 0 H VAL A 34 -4.325 7.606 4.507 1.00 0.60 H new ATOM 0 HA VAL A 34 -1.407 7.736 4.684 1.00 0.41 H new ATOM 0 HB VAL A 34 -3.236 6.824 2.471 1.00 0.46 H new ATOM 0 HG11 VAL A 34 -1.161 5.807 1.555 1.00 0.33 H new ATOM 0 HG12 VAL A 34 -1.023 7.578 1.648 1.00 0.33 H new ATOM 0 HG13 VAL A 34 -0.218 6.558 2.864 1.00 0.33 H new ATOM 0 HG21 VAL A 34 -2.519 4.562 3.232 1.00 0.67 H new ATOM 0 HG22 VAL A 34 -1.594 5.306 4.558 1.00 0.67 H new ATOM 0 HG23 VAL A 34 -3.369 5.436 4.528 1.00 0.67 H new ATOM 513 N THR A 35 -0.836 9.672 3.206 1.00 0.37 N ATOM 514 CA THR A 35 -0.494 10.948 2.592 1.00 0.39 C ATOM 515 C THR A 35 0.362 10.746 1.342 1.00 0.32 C ATOM 516 O THR A 35 0.124 11.438 0.351 1.00 0.42 O ATOM 517 CB THR A 35 0.115 11.876 3.640 1.00 0.56 C ATOM 518 OG1 THR A 35 -0.917 12.342 4.485 1.00 1.17 O ATOM 519 CG2 THR A 35 0.852 13.073 3.040 1.00 0.96 C ATOM 0 H THR A 35 -0.026 9.140 3.523 1.00 0.37 H new ATOM 0 HA THR A 35 -1.394 11.445 2.231 1.00 0.39 H new ATOM 0 HB THR A 35 0.856 11.297 4.191 1.00 0.56 H new ATOM 0 HG1 THR A 35 -0.539 12.938 5.165 1.00 1.17 H new ATOM 0 HG21 THR A 35 1.259 13.689 3.842 1.00 0.96 H new ATOM 0 HG22 THR A 35 1.665 12.719 2.406 1.00 0.96 H new ATOM 0 HG23 THR A 35 0.158 13.666 2.444 1.00 0.96 H new ATOM 527 N ASP A 36 1.299 9.786 1.330 1.00 0.29 N ATOM 528 CA ASP A 36 1.943 9.370 0.096 1.00 0.33 C ATOM 529 C ASP A 36 2.069 7.861 0.006 1.00 0.24 C ATOM 530 O ASP A 36 1.879 7.157 0.996 1.00 0.23 O ATOM 531 CB ASP A 36 3.262 10.099 -0.188 1.00 0.47 C ATOM 532 CG ASP A 36 3.258 10.575 -1.634 1.00 0.84 C ATOM 533 OD1 ASP A 36 2.871 9.746 -2.494 1.00 2.24 O ATOM 534 OD2 ASP A 36 3.558 11.765 -1.857 1.00 1.74 O ATOM 0 H ASP A 36 1.620 9.291 2.162 1.00 0.29 H new ATOM 0 HA ASP A 36 1.277 9.680 -0.709 1.00 0.33 H new ATOM 0 HB2 ASP A 36 3.378 10.946 0.488 1.00 0.47 H new ATOM 0 HB3 ASP A 36 4.107 9.433 -0.012 1.00 0.47 H new ATOM 539 N ALA A 37 2.326 7.360 -1.200 1.00 0.28 N ATOM 540 CA ALA A 37 2.427 5.924 -1.441 1.00 0.28 C ATOM 541 C ALA A 37 3.219 5.597 -2.704 1.00 0.31 C ATOM 542 O ALA A 37 3.089 6.285 -3.721 1.00 0.39 O ATOM 543 CB ALA A 37 1.032 5.296 -1.466 1.00 0.39 C ATOM 0 H ALA A 37 2.469 7.933 -2.031 1.00 0.28 H new ATOM 0 HA ALA A 37 2.989 5.487 -0.615 1.00 0.28 H new ATOM 0 HB1 ALA A 37 1.119 4.225 -1.646 1.00 0.39 H new ATOM 0 HB2 ALA A 37 0.540 5.464 -0.508 1.00 0.39 H new ATOM 0 HB3 ALA A 37 0.442 5.751 -2.261 1.00 0.39 H new ATOM 549 N ASN A 38 4.039 4.542 -2.653 1.00 0.27 N ATOM 550 CA ASN A 38 5.061 4.285 -3.650 1.00 0.29 C ATOM 551 C ASN A 38 5.304 2.783 -3.648 1.00 0.25 C ATOM 552 O ASN A 38 5.921 2.249 -2.727 1.00 0.28 O ATOM 553 CB ASN A 38 6.384 5.036 -3.360 1.00 0.31 C ATOM 554 CG ASN A 38 6.456 5.825 -2.053 1.00 0.30 C ATOM 555 OD1 ASN A 38 6.729 7.020 -2.056 1.00 0.42 O ATOM 556 ND2 ASN A 38 6.232 5.174 -0.917 1.00 0.30 N ATOM 0 H ASN A 38 4.005 3.843 -1.911 1.00 0.27 H new ATOM 0 HA ASN A 38 4.718 4.645 -4.620 1.00 0.29 H new ATOM 0 HB2 ASN A 38 7.195 4.308 -3.363 1.00 0.31 H new ATOM 0 HB3 ASN A 38 6.571 5.725 -4.184 1.00 0.31 H new ATOM 0 HD21 ASN A 38 6.286 5.669 -0.027 1.00 0.30 H new ATOM 0 HD22 ASN A 38 6.006 4.179 -0.935 1.00 0.30 H new ATOM 563 N VAL A 39 4.831 2.099 -4.686 1.00 0.27 N ATOM 564 CA VAL A 39 5.105 0.685 -4.841 1.00 0.24 C ATOM 565 C VAL A 39 6.504 0.555 -5.450 1.00 0.26 C ATOM 566 O VAL A 39 6.800 1.207 -6.451 1.00 0.63 O ATOM 567 CB VAL A 39 3.989 0.036 -5.676 1.00 0.31 C ATOM 568 CG1 VAL A 39 4.097 0.327 -7.180 1.00 0.51 C ATOM 569 CG2 VAL A 39 3.926 -1.473 -5.427 1.00 0.49 C ATOM 0 H VAL A 39 4.259 2.505 -5.427 1.00 0.27 H new ATOM 0 HA VAL A 39 5.107 0.151 -3.891 1.00 0.24 H new ATOM 0 HB VAL A 39 3.060 0.496 -5.339 1.00 0.31 H new ATOM 0 HG11 VAL A 39 3.277 -0.163 -7.705 1.00 0.51 H new ATOM 0 HG12 VAL A 39 4.044 1.403 -7.347 1.00 0.51 H new ATOM 0 HG13 VAL A 39 5.047 -0.052 -7.557 1.00 0.51 H new ATOM 0 HG21 VAL A 39 3.129 -1.908 -6.029 1.00 0.49 H new ATOM 0 HG22 VAL A 39 4.878 -1.927 -5.702 1.00 0.49 H new ATOM 0 HG23 VAL A 39 3.727 -1.660 -4.372 1.00 0.49 H new ATOM 579 N ASN A 40 7.384 -0.243 -4.839 1.00 0.30 N ATOM 580 CA ASN A 40 8.747 -0.464 -5.306 1.00 0.31 C ATOM 581 C ASN A 40 8.851 -1.911 -5.791 1.00 0.26 C ATOM 582 O ASN A 40 9.672 -2.714 -5.338 1.00 0.25 O ATOM 583 CB ASN A 40 9.734 -0.126 -4.182 1.00 0.35 C ATOM 584 CG ASN A 40 11.176 -0.094 -4.678 1.00 0.47 C ATOM 585 OD1 ASN A 40 11.457 -0.350 -5.844 1.00 0.60 O ATOM 586 ND2 ASN A 40 12.111 0.244 -3.796 1.00 0.72 N ATOM 0 H ASN A 40 7.160 -0.762 -3.990 1.00 0.30 H new ATOM 0 HA ASN A 40 9.001 0.188 -6.142 1.00 0.31 H new ATOM 0 HB2 ASN A 40 9.477 0.842 -3.753 1.00 0.35 H new ATOM 0 HB3 ASN A 40 9.641 -0.863 -3.384 1.00 0.35 H new ATOM 0 HD21 ASN A 40 13.088 0.295 -4.083 1.00 0.72 H new ATOM 0 HD22 ASN A 40 11.851 0.452 -2.832 1.00 0.72 H new ATOM 593 N LEU A 41 7.984 -2.223 -6.757 1.00 0.29 N ATOM 594 CA LEU A 41 7.833 -3.556 -7.326 1.00 0.33 C ATOM 595 C LEU A 41 9.092 -3.978 -8.081 1.00 0.41 C ATOM 596 O LEU A 41 9.342 -5.169 -8.237 1.00 0.49 O ATOM 597 CB LEU A 41 6.564 -3.610 -8.198 1.00 0.39 C ATOM 598 CG LEU A 41 5.516 -4.640 -7.743 1.00 0.45 C ATOM 599 CD1 LEU A 41 5.868 -6.059 -8.199 1.00 0.79 C ATOM 600 CD2 LEU A 41 5.267 -4.630 -6.229 1.00 0.90 C ATOM 0 H LEU A 41 7.354 -1.536 -7.172 1.00 0.29 H new ATOM 0 HA LEU A 41 7.708 -4.281 -6.522 1.00 0.33 H new ATOM 0 HB2 LEU A 41 6.103 -2.622 -8.207 1.00 0.39 H new ATOM 0 HB3 LEU A 41 6.854 -3.836 -9.224 1.00 0.39 H new ATOM 0 HG LEU A 41 4.591 -4.331 -8.229 1.00 0.45 H new ATOM 0 HD11 LEU A 41 5.101 -6.753 -7.855 1.00 0.79 H new ATOM 0 HD12 LEU A 41 5.923 -6.088 -9.287 1.00 0.79 H new ATOM 0 HD13 LEU A 41 6.832 -6.347 -7.779 1.00 0.79 H new ATOM 0 HD21 LEU A 41 4.517 -5.380 -5.979 1.00 0.90 H new ATOM 0 HD22 LEU A 41 6.196 -4.857 -5.706 1.00 0.90 H new ATOM 0 HD23 LEU A 41 4.911 -3.646 -5.925 1.00 0.90 H new ATOM 612 N ALA A 42 9.928 -3.011 -8.474 1.00 0.42 N ATOM 613 CA ALA A 42 11.282 -3.264 -8.949 1.00 0.51 C ATOM 614 C ALA A 42 12.047 -4.228 -8.038 1.00 0.50 C ATOM 615 O ALA A 42 12.861 -5.002 -8.534 1.00 0.61 O ATOM 616 CB ALA A 42 12.052 -1.948 -9.046 1.00 0.53 C ATOM 0 H ALA A 42 9.676 -2.023 -8.469 1.00 0.42 H new ATOM 0 HA ALA A 42 11.197 -3.728 -9.931 1.00 0.51 H new ATOM 0 HB1 ALA A 42 13.064 -2.144 -9.402 1.00 0.53 H new ATOM 0 HB2 ALA A 42 11.545 -1.280 -9.743 1.00 0.53 H new ATOM 0 HB3 ALA A 42 12.097 -1.480 -8.063 1.00 0.53 H new ATOM 622 N THR A 43 11.807 -4.174 -6.720 1.00 0.43 N ATOM 623 CA THR A 43 12.382 -5.121 -5.770 1.00 0.52 C ATOM 624 C THR A 43 11.262 -5.843 -4.993 1.00 0.65 C ATOM 625 O THR A 43 11.450 -6.278 -3.863 1.00 1.24 O ATOM 626 CB THR A 43 13.433 -4.396 -4.908 1.00 0.54 C ATOM 627 OG1 THR A 43 14.174 -5.294 -4.110 1.00 0.70 O ATOM 628 CG2 THR A 43 12.827 -3.290 -4.040 1.00 0.59 C ATOM 0 H THR A 43 11.208 -3.470 -6.288 1.00 0.43 H new ATOM 0 HA THR A 43 12.920 -5.922 -6.277 1.00 0.52 H new ATOM 0 HB THR A 43 14.115 -3.922 -5.614 1.00 0.54 H new ATOM 0 HG1 THR A 43 13.566 -5.941 -3.695 1.00 0.70 H new ATOM 0 HG21 THR A 43 13.614 -2.814 -3.455 1.00 0.59 H new ATOM 0 HG22 THR A 43 12.350 -2.547 -4.679 1.00 0.59 H new ATOM 0 HG23 THR A 43 12.085 -3.721 -3.368 1.00 0.59 H new ATOM 636 N GLU A 44 10.085 -5.971 -5.617 1.00 0.36 N ATOM 637 CA GLU A 44 8.897 -6.640 -5.096 1.00 0.41 C ATOM 638 C GLU A 44 8.430 -6.129 -3.721 1.00 0.47 C ATOM 639 O GLU A 44 7.757 -6.871 -3.003 1.00 0.86 O ATOM 640 CB GLU A 44 9.104 -8.164 -5.117 1.00 0.49 C ATOM 641 CG GLU A 44 9.207 -8.689 -6.555 1.00 0.67 C ATOM 642 CD GLU A 44 9.075 -10.206 -6.597 1.00 1.46 C ATOM 643 OE1 GLU A 44 10.119 -10.873 -6.432 1.00 2.63 O ATOM 644 OE2 GLU A 44 7.927 -10.665 -6.784 1.00 2.05 O ATOM 0 H GLU A 44 9.932 -5.588 -6.550 1.00 0.36 H new ATOM 0 HA GLU A 44 8.074 -6.384 -5.763 1.00 0.41 H new ATOM 0 HB2 GLU A 44 10.011 -8.418 -4.568 1.00 0.49 H new ATOM 0 HB3 GLU A 44 8.275 -8.654 -4.607 1.00 0.49 H new ATOM 0 HG2 GLU A 44 8.427 -8.236 -7.167 1.00 0.67 H new ATOM 0 HG3 GLU A 44 10.163 -8.392 -6.986 1.00 0.67 H new ATOM 651 N THR A 45 8.706 -4.865 -3.373 1.00 0.25 N ATOM 652 CA THR A 45 8.354 -4.276 -2.088 1.00 0.24 C ATOM 653 C THR A 45 7.347 -3.141 -2.314 1.00 0.20 C ATOM 654 O THR A 45 7.345 -2.527 -3.379 1.00 0.30 O ATOM 655 CB THR A 45 9.649 -3.763 -1.438 1.00 0.32 C ATOM 656 OG1 THR A 45 10.642 -4.761 -1.515 1.00 0.62 O ATOM 657 CG2 THR A 45 9.461 -3.441 0.038 1.00 0.50 C ATOM 0 H THR A 45 9.190 -4.216 -3.994 1.00 0.25 H new ATOM 0 HA THR A 45 7.888 -5.006 -1.426 1.00 0.24 H new ATOM 0 HB THR A 45 9.934 -2.858 -1.974 1.00 0.32 H new ATOM 0 HG1 THR A 45 11.468 -4.433 -1.102 1.00 0.62 H new ATOM 0 HG21 THR A 45 10.402 -3.082 0.455 1.00 0.50 H new ATOM 0 HG22 THR A 45 8.698 -2.670 0.148 1.00 0.50 H new ATOM 0 HG23 THR A 45 9.148 -4.340 0.569 1.00 0.50 H new ATOM 665 N VAL A 46 6.506 -2.827 -1.327 1.00 0.24 N ATOM 666 CA VAL A 46 5.638 -1.653 -1.333 1.00 0.22 C ATOM 667 C VAL A 46 6.025 -0.739 -0.173 1.00 0.17 C ATOM 668 O VAL A 46 6.365 -1.250 0.897 1.00 0.19 O ATOM 669 CB VAL A 46 4.160 -2.078 -1.278 1.00 0.29 C ATOM 670 CG1 VAL A 46 3.846 -3.063 -0.145 1.00 0.33 C ATOM 671 CG2 VAL A 46 3.233 -0.871 -1.130 1.00 0.36 C ATOM 0 H VAL A 46 6.409 -3.395 -0.485 1.00 0.24 H new ATOM 0 HA VAL A 46 5.768 -1.095 -2.260 1.00 0.22 H new ATOM 0 HB VAL A 46 3.982 -2.581 -2.228 1.00 0.29 H new ATOM 0 HG11 VAL A 46 2.786 -3.318 -0.168 1.00 0.33 H new ATOM 0 HG12 VAL A 46 4.440 -3.968 -0.274 1.00 0.33 H new ATOM 0 HG13 VAL A 46 4.088 -2.604 0.814 1.00 0.33 H new ATOM 0 HG21 VAL A 46 2.198 -1.210 -1.095 1.00 0.36 H new ATOM 0 HG22 VAL A 46 3.472 -0.339 -0.209 1.00 0.36 H new ATOM 0 HG23 VAL A 46 3.367 -0.203 -1.981 1.00 0.36 H new ATOM 681 N ASN A 47 5.970 0.588 -0.374 1.00 0.17 N ATOM 682 CA ASN A 47 6.193 1.569 0.676 1.00 0.19 C ATOM 683 C ASN A 47 4.977 2.487 0.682 1.00 0.22 C ATOM 684 O ASN A 47 4.580 2.974 -0.375 1.00 0.28 O ATOM 685 CB ASN A 47 7.454 2.392 0.383 1.00 0.22 C ATOM 686 CG ASN A 47 8.752 1.640 0.647 1.00 0.26 C ATOM 687 OD1 ASN A 47 9.475 1.280 -0.278 1.00 0.34 O ATOM 688 ND2 ASN A 47 9.084 1.438 1.916 1.00 0.29 N ATOM 0 H ASN A 47 5.767 1.004 -1.283 1.00 0.17 H new ATOM 0 HA ASN A 47 6.330 1.077 1.639 1.00 0.19 H new ATOM 0 HB2 ASN A 47 7.435 2.711 -0.659 1.00 0.22 H new ATOM 0 HB3 ASN A 47 7.437 3.295 0.993 1.00 0.22 H new ATOM 0 HD21 ASN A 47 9.962 0.972 2.146 1.00 0.29 H new ATOM 0 HD22 ASN A 47 8.462 1.749 2.662 1.00 0.29 H new ATOM 695 N VAL A 48 4.394 2.749 1.850 1.00 0.29 N ATOM 696 CA VAL A 48 3.224 3.581 2.013 1.00 0.30 C ATOM 697 C VAL A 48 3.551 4.536 3.156 1.00 0.33 C ATOM 698 O VAL A 48 4.060 4.103 4.193 1.00 0.39 O ATOM 699 CB VAL A 48 1.962 2.710 2.176 1.00 0.44 C ATOM 700 CG1 VAL A 48 2.177 1.302 2.733 1.00 1.97 C ATOM 701 CG2 VAL A 48 0.901 3.368 3.053 1.00 1.69 C ATOM 0 H VAL A 48 4.741 2.372 2.732 1.00 0.29 H new ATOM 0 HA VAL A 48 2.982 4.186 1.139 1.00 0.30 H new ATOM 0 HB VAL A 48 1.635 2.616 1.141 1.00 0.44 H new ATOM 0 HG11 VAL A 48 1.218 0.788 2.802 1.00 1.97 H new ATOM 0 HG12 VAL A 48 2.841 0.746 2.071 1.00 1.97 H new ATOM 0 HG13 VAL A 48 2.625 1.367 3.724 1.00 1.97 H new ATOM 0 HG21 VAL A 48 0.036 2.710 3.133 1.00 1.69 H new ATOM 0 HG22 VAL A 48 1.311 3.549 4.046 1.00 1.69 H new ATOM 0 HG23 VAL A 48 0.597 4.315 2.608 1.00 1.69 H new ATOM 711 N ILE A 49 3.361 5.834 2.898 1.00 0.31 N ATOM 712 CA ILE A 49 3.806 6.943 3.720 1.00 0.31 C ATOM 713 C ILE A 49 2.572 7.576 4.375 1.00 0.24 C ATOM 714 O ILE A 49 1.870 8.394 3.767 1.00 0.23 O ATOM 715 CB ILE A 49 4.576 7.977 2.869 1.00 0.34 C ATOM 716 CG1 ILE A 49 5.537 7.371 1.829 1.00 0.48 C ATOM 717 CG2 ILE A 49 5.314 8.959 3.788 1.00 0.43 C ATOM 718 CD1 ILE A 49 6.627 6.486 2.433 1.00 0.43 C ATOM 0 H ILE A 49 2.865 6.146 2.063 1.00 0.31 H new ATOM 0 HA ILE A 49 4.490 6.589 4.491 1.00 0.31 H new ATOM 0 HB ILE A 49 3.824 8.501 2.280 1.00 0.34 H new ATOM 0 HG12 ILE A 49 4.960 6.783 1.115 1.00 0.48 H new ATOM 0 HG13 ILE A 49 6.008 8.179 1.270 1.00 0.48 H new ATOM 0 HG21 ILE A 49 5.856 9.686 3.183 1.00 0.43 H new ATOM 0 HG22 ILE A 49 4.593 9.478 4.420 1.00 0.43 H new ATOM 0 HG23 ILE A 49 6.018 8.412 4.415 1.00 0.43 H new ATOM 0 HD11 ILE A 49 7.262 6.097 1.637 1.00 0.43 H new ATOM 0 HD12 ILE A 49 7.230 7.073 3.125 1.00 0.43 H new ATOM 0 HD13 ILE A 49 6.166 5.655 2.968 1.00 0.43 H new ATOM 730 N TYR A 50 2.276 7.198 5.617 1.00 0.27 N ATOM 731 CA TYR A 50 1.017 7.553 6.267 1.00 0.27 C ATOM 732 C TYR A 50 1.263 8.121 7.645 1.00 0.29 C ATOM 733 O TYR A 50 2.401 8.113 8.108 1.00 0.35 O ATOM 734 CB TYR A 50 0.112 6.326 6.360 1.00 0.28 C ATOM 735 CG TYR A 50 0.638 5.218 7.246 1.00 0.34 C ATOM 736 CD1 TYR A 50 1.563 4.293 6.741 1.00 1.40 C ATOM 737 CD2 TYR A 50 0.192 5.098 8.573 1.00 1.79 C ATOM 738 CE1 TYR A 50 1.897 3.157 7.492 1.00 1.45 C ATOM 739 CE2 TYR A 50 0.604 4.010 9.356 1.00 1.87 C ATOM 740 CZ TYR A 50 1.405 3.006 8.797 1.00 0.75 C ATOM 741 OH TYR A 50 1.697 1.893 9.526 1.00 1.00 O ATOM 0 H TYR A 50 2.900 6.639 6.199 1.00 0.27 H new ATOM 0 HA TYR A 50 0.524 8.317 5.665 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -0.864 6.638 6.733 1.00 0.28 H new ATOM 0 HB3 TYR A 50 -0.042 5.928 5.357 1.00 0.28 H new ATOM 0 HD1 TYR A 50 2.018 4.455 5.775 1.00 1.40 H new ATOM 0 HD2 TYR A 50 -0.468 5.844 8.990 1.00 1.79 H new ATOM 0 HE1 TYR A 50 2.534 2.397 7.065 1.00 1.45 H new ATOM 0 HE2 TYR A 50 0.303 3.946 10.391 1.00 1.87 H new ATOM 0 HH TYR A 50 1.716 2.122 10.479 1.00 1.00 H new ATOM 751 N ASP A 51 0.197 8.622 8.269 1.00 0.30 N ATOM 752 CA ASP A 51 0.230 9.110 9.644 1.00 0.33 C ATOM 753 C ASP A 51 -0.106 7.969 10.616 1.00 0.32 C ATOM 754 O ASP A 51 -1.275 7.581 10.706 1.00 0.37 O ATOM 755 CB ASP A 51 -0.754 10.273 9.804 1.00 0.44 C ATOM 756 CG ASP A 51 -0.894 10.716 11.257 1.00 1.77 C ATOM 757 OD1 ASP A 51 -0.117 10.222 12.103 1.00 2.81 O ATOM 758 OD2 ASP A 51 -1.783 11.558 11.508 1.00 2.58 O ATOM 0 H ASP A 51 -0.720 8.700 7.829 1.00 0.30 H new ATOM 0 HA ASP A 51 1.232 9.471 9.876 1.00 0.33 H new ATOM 0 HB2 ASP A 51 -0.418 11.116 9.200 1.00 0.44 H new ATOM 0 HB3 ASP A 51 -1.730 9.975 9.421 1.00 0.44 H new ATOM 763 N PRO A 52 0.871 7.439 11.377 1.00 0.36 N ATOM 764 CA PRO A 52 0.632 6.345 12.299 1.00 0.42 C ATOM 765 C PRO A 52 -0.095 6.784 13.578 1.00 0.54 C ATOM 766 O PRO A 52 -0.251 5.970 14.486 1.00 0.62 O ATOM 767 CB PRO A 52 2.008 5.742 12.585 1.00 0.49 C ATOM 768 CG PRO A 52 2.893 6.988 12.550 1.00 0.52 C ATOM 769 CD PRO A 52 2.275 7.821 11.423 1.00 0.43 C ATOM 0 HA PRO A 52 -0.042 5.609 11.861 1.00 0.42 H new ATOM 0 HB2 PRO A 52 2.044 5.239 13.551 1.00 0.49 H new ATOM 0 HB3 PRO A 52 2.300 5.009 11.833 1.00 0.49 H new ATOM 0 HG2 PRO A 52 2.877 7.521 13.501 1.00 0.52 H new ATOM 0 HG3 PRO A 52 3.933 6.738 12.343 1.00 0.52 H new ATOM 0 HD2 PRO A 52 2.385 8.888 11.619 1.00 0.43 H new ATOM 0 HD3 PRO A 52 2.767 7.619 10.472 1.00 0.43 H new ATOM 777 N ALA A 53 -0.556 8.039 13.677 1.00 0.59 N ATOM 778 CA ALA A 53 -1.504 8.438 14.697 1.00 0.70 C ATOM 779 C ALA A 53 -2.909 8.054 14.244 1.00 0.64 C ATOM 780 O ALA A 53 -3.790 7.885 15.086 1.00 0.82 O ATOM 781 CB ALA A 53 -1.434 9.952 14.887 1.00 0.78 C ATOM 0 H ALA A 53 -0.277 8.794 13.050 1.00 0.59 H new ATOM 0 HA ALA A 53 -1.267 7.940 15.637 1.00 0.70 H new ATOM 0 HB1 ALA A 53 -2.146 10.256 15.654 1.00 0.78 H new ATOM 0 HB2 ALA A 53 -0.427 10.234 15.195 1.00 0.78 H new ATOM 0 HB3 ALA A 53 -1.679 10.448 13.948 1.00 0.78 H new ATOM 787 N GLU A 54 -3.117 7.968 12.922 1.00 0.49 N ATOM 788 CA GLU A 54 -4.423 7.807 12.315 1.00 0.52 C ATOM 789 C GLU A 54 -4.515 6.384 11.763 1.00 0.61 C ATOM 790 O GLU A 54 -5.227 5.535 12.297 1.00 0.93 O ATOM 791 CB GLU A 54 -4.635 8.909 11.253 1.00 0.53 C ATOM 792 CG GLU A 54 -5.921 9.718 11.489 1.00 0.67 C ATOM 793 CD GLU A 54 -7.188 8.978 11.076 1.00 2.25 C ATOM 794 OE1 GLU A 54 -7.105 7.744 10.902 1.00 3.81 O ATOM 795 OE2 GLU A 54 -8.219 9.669 10.928 1.00 2.83 O ATOM 0 H GLU A 54 -2.359 8.011 12.241 1.00 0.49 H new ATOM 0 HA GLU A 54 -5.230 7.929 13.037 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -3.779 9.584 11.259 1.00 0.53 H new ATOM 0 HB3 GLU A 54 -4.674 8.453 10.264 1.00 0.53 H new ATOM 0 HG2 GLU A 54 -5.989 9.977 12.545 1.00 0.67 H new ATOM 0 HG3 GLU A 54 -5.859 10.654 10.934 1.00 0.67 H new ATOM 802 N THR A 55 -3.700 6.104 10.742 1.00 0.44 N ATOM 803 CA THR A 55 -3.414 4.757 10.291 1.00 0.45 C ATOM 804 C THR A 55 -2.447 3.951 11.134 1.00 0.44 C ATOM 805 O THR A 55 -1.931 4.369 12.163 1.00 0.50 O ATOM 806 CB THR A 55 -3.236 4.624 8.759 1.00 0.47 C ATOM 807 OG1 THR A 55 -2.885 5.869 8.203 1.00 0.48 O ATOM 808 CG2 THR A 55 -4.576 4.250 8.140 1.00 0.64 C ATOM 0 H THR A 55 -3.218 6.824 10.204 1.00 0.44 H new ATOM 0 HA THR A 55 -4.348 4.233 10.496 1.00 0.45 H new ATOM 0 HB THR A 55 -2.467 3.877 8.565 1.00 0.47 H new ATOM 0 HG1 THR A 55 -2.929 5.815 7.225 1.00 0.48 H new ATOM 0 HG21 THR A 55 -4.464 4.153 7.060 1.00 0.64 H new ATOM 0 HG22 THR A 55 -4.917 3.302 8.556 1.00 0.64 H new ATOM 0 HG23 THR A 55 -5.308 5.027 8.360 1.00 0.64 H new ATOM 816 N GLY A 56 -2.290 2.728 10.656 1.00 0.53 N ATOM 817 CA GLY A 56 -1.428 1.673 11.096 1.00 0.53 C ATOM 818 C GLY A 56 -1.429 0.730 9.902 1.00 1.13 C ATOM 819 O GLY A 56 -1.577 1.156 8.756 1.00 2.55 O ATOM 0 H GLY A 56 -2.838 2.427 9.850 1.00 0.53 H new ATOM 0 HA2 GLY A 56 -0.426 2.036 11.326 1.00 0.53 H new ATOM 0 HA3 GLY A 56 -1.806 1.189 11.996 1.00 0.53 H new ATOM 823 N THR A 57 -1.365 -0.560 10.174 1.00 0.67 N ATOM 824 CA THR A 57 -1.499 -1.625 9.208 1.00 0.88 C ATOM 825 C THR A 57 -2.973 -1.768 8.822 1.00 0.72 C ATOM 826 O THR A 57 -3.314 -2.045 7.674 1.00 0.67 O ATOM 827 CB THR A 57 -0.939 -2.870 9.898 1.00 1.10 C ATOM 828 OG1 THR A 57 -1.573 -2.989 11.160 1.00 1.15 O ATOM 829 CG2 THR A 57 0.569 -2.682 10.129 1.00 1.21 C ATOM 0 H THR A 57 -1.211 -0.906 11.121 1.00 0.67 H new ATOM 0 HA THR A 57 -0.959 -1.443 8.279 1.00 0.88 H new ATOM 0 HB THR A 57 -1.113 -3.755 9.286 1.00 1.10 H new ATOM 0 HG1 THR A 57 -1.232 -3.782 11.624 1.00 1.15 H new ATOM 0 HG21 THR A 57 0.975 -3.566 10.621 1.00 1.21 H new ATOM 0 HG22 THR A 57 1.069 -2.538 9.171 1.00 1.21 H new ATOM 0 HG23 THR A 57 0.734 -1.808 10.759 1.00 1.21 H new ATOM 837 N ALA A 58 -3.843 -1.591 9.821 1.00 0.75 N ATOM 838 CA ALA A 58 -5.242 -1.960 9.777 1.00 0.93 C ATOM 839 C ALA A 58 -5.968 -1.470 8.540 1.00 0.84 C ATOM 840 O ALA A 58 -6.499 -2.257 7.754 1.00 0.83 O ATOM 841 CB ALA A 58 -5.940 -1.499 11.062 1.00 1.21 C ATOM 0 H ALA A 58 -3.572 -1.171 10.710 1.00 0.75 H new ATOM 0 HA ALA A 58 -5.282 -3.047 9.712 1.00 0.93 H new ATOM 0 HB1 ALA A 58 -6.993 -1.779 11.025 1.00 1.21 H new ATOM 0 HB2 ALA A 58 -5.469 -1.974 11.923 1.00 1.21 H new ATOM 0 HB3 ALA A 58 -5.855 -0.416 11.154 1.00 1.21 H new ATOM 847 N ALA A 59 -6.006 -0.150 8.380 1.00 0.83 N ATOM 848 CA ALA A 59 -6.884 0.408 7.359 1.00 0.88 C ATOM 849 C ALA A 59 -6.298 0.100 5.983 1.00 0.70 C ATOM 850 O ALA A 59 -7.019 -0.126 5.012 1.00 0.67 O ATOM 851 CB ALA A 59 -7.135 1.896 7.592 1.00 1.08 C ATOM 0 H ALA A 59 -5.465 0.527 8.918 1.00 0.83 H new ATOM 0 HA ALA A 59 -7.867 -0.059 7.417 1.00 0.88 H new ATOM 0 HB1 ALA A 59 -7.793 2.280 6.813 1.00 1.08 H new ATOM 0 HB2 ALA A 59 -7.604 2.038 8.566 1.00 1.08 H new ATOM 0 HB3 ALA A 59 -6.187 2.434 7.564 1.00 1.08 H new ATOM 857 N ILE A 60 -4.964 0.083 5.921 1.00 0.61 N ATOM 858 CA ILE A 60 -4.217 -0.305 4.746 1.00 0.49 C ATOM 859 C ILE A 60 -4.634 -1.696 4.307 1.00 0.41 C ATOM 860 O ILE A 60 -4.978 -1.878 3.148 1.00 0.41 O ATOM 861 CB ILE A 60 -2.706 -0.179 5.022 1.00 0.41 C ATOM 862 CG1 ILE A 60 -2.270 1.225 4.611 1.00 0.46 C ATOM 863 CG2 ILE A 60 -1.839 -1.179 4.246 1.00 0.37 C ATOM 864 CD1 ILE A 60 -2.846 2.305 5.528 1.00 1.11 C ATOM 0 H ILE A 60 -4.371 0.346 6.708 1.00 0.61 H new ATOM 0 HA ILE A 60 -4.440 0.365 3.916 1.00 0.49 H new ATOM 0 HB ILE A 60 -2.562 -0.386 6.082 1.00 0.41 H new ATOM 0 HG12 ILE A 60 -1.182 1.283 4.624 1.00 0.46 H new ATOM 0 HG13 ILE A 60 -2.587 1.416 3.586 1.00 0.46 H new ATOM 0 HG21 ILE A 60 -0.790 -1.023 4.497 1.00 0.37 H new ATOM 0 HG22 ILE A 60 -2.129 -2.195 4.513 1.00 0.37 H new ATOM 0 HG23 ILE A 60 -1.982 -1.030 3.176 1.00 0.37 H new ATOM 0 HD11 ILE A 60 -2.506 3.285 5.194 1.00 1.11 H new ATOM 0 HD12 ILE A 60 -3.935 2.267 5.495 1.00 1.11 H new ATOM 0 HD13 ILE A 60 -2.508 2.133 6.550 1.00 1.11 H new ATOM 876 N GLN A 61 -4.608 -2.672 5.213 1.00 0.41 N ATOM 877 CA GLN A 61 -4.924 -4.047 4.859 1.00 0.42 C ATOM 878 C GLN A 61 -6.368 -4.134 4.344 1.00 0.44 C ATOM 879 O GLN A 61 -6.631 -4.749 3.310 1.00 0.43 O ATOM 880 CB GLN A 61 -4.616 -4.951 6.057 1.00 0.57 C ATOM 881 CG GLN A 61 -4.158 -6.364 5.656 1.00 0.52 C ATOM 882 CD GLN A 61 -3.019 -6.847 6.553 1.00 1.12 C ATOM 883 OE1 GLN A 61 -3.162 -7.806 7.302 1.00 1.63 O ATOM 884 NE2 GLN A 61 -1.874 -6.170 6.496 1.00 1.58 N ATOM 0 H GLN A 61 -4.371 -2.532 6.195 1.00 0.41 H new ATOM 0 HA GLN A 61 -4.302 -4.403 4.037 1.00 0.42 H new ATOM 0 HB2 GLN A 61 -3.840 -4.485 6.664 1.00 0.57 H new ATOM 0 HB3 GLN A 61 -5.506 -5.029 6.682 1.00 0.57 H new ATOM 0 HG2 GLN A 61 -4.998 -7.055 5.725 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -3.831 -6.363 4.616 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -1.782 -5.375 5.863 1.00 1.58 H new ATOM 0 HE22 GLN A 61 -1.088 -6.446 7.085 1.00 1.58 H new ATOM 893 N GLU A 62 -7.282 -3.440 5.034 1.00 0.47 N ATOM 894 CA GLU A 62 -8.668 -3.260 4.609 1.00 0.49 C ATOM 895 C GLU A 62 -8.730 -2.806 3.141 1.00 0.46 C ATOM 896 O GLU A 62 -9.314 -3.464 2.276 1.00 0.47 O ATOM 897 CB GLU A 62 -9.357 -2.258 5.561 1.00 0.61 C ATOM 898 CG GLU A 62 -10.785 -2.665 5.942 1.00 0.61 C ATOM 899 CD GLU A 62 -11.770 -2.557 4.782 1.00 1.96 C ATOM 900 OE1 GLU A 62 -11.646 -1.581 4.005 1.00 2.75 O ATOM 901 OE2 GLU A 62 -12.648 -3.442 4.707 1.00 2.86 O ATOM 0 H GLU A 62 -7.070 -2.981 5.920 1.00 0.47 H new ATOM 0 HA GLU A 62 -9.202 -4.209 4.664 1.00 0.49 H new ATOM 0 HB2 GLU A 62 -8.760 -2.161 6.468 1.00 0.61 H new ATOM 0 HB3 GLU A 62 -9.381 -1.276 5.088 1.00 0.61 H new ATOM 0 HG2 GLU A 62 -10.778 -3.691 6.310 1.00 0.61 H new ATOM 0 HG3 GLU A 62 -11.129 -2.035 6.762 1.00 0.61 H new ATOM 908 N LYS A 63 -8.090 -1.677 2.840 1.00 0.48 N ATOM 909 CA LYS A 63 -8.108 -1.113 1.513 1.00 0.51 C ATOM 910 C LYS A 63 -7.362 -1.977 0.498 1.00 0.45 C ATOM 911 O LYS A 63 -7.802 -2.049 -0.642 1.00 0.51 O ATOM 912 CB LYS A 63 -7.576 0.320 1.563 1.00 0.56 C ATOM 913 CG LYS A 63 -8.673 1.384 1.698 1.00 0.47 C ATOM 914 CD LYS A 63 -9.684 1.354 0.535 1.00 0.63 C ATOM 915 CE LYS A 63 -11.079 0.849 0.951 1.00 1.97 C ATOM 916 NZ LYS A 63 -11.801 1.810 1.807 1.00 3.03 N ATOM 0 H LYS A 63 -7.549 -1.137 3.515 1.00 0.48 H new ATOM 0 HA LYS A 63 -9.140 -1.089 1.162 1.00 0.51 H new ATOM 0 HB2 LYS A 63 -6.888 0.413 2.403 1.00 0.56 H new ATOM 0 HB3 LYS A 63 -7.002 0.516 0.657 1.00 0.56 H new ATOM 0 HG2 LYS A 63 -9.204 1.234 2.638 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -8.212 2.370 1.746 1.00 0.47 H new ATOM 0 HD2 LYS A 63 -9.778 2.357 0.119 1.00 0.63 H new ATOM 0 HD3 LYS A 63 -9.296 0.715 -0.258 1.00 0.63 H new ATOM 0 HE2 LYS A 63 -11.670 0.650 0.057 1.00 1.97 H new ATOM 0 HE3 LYS A 63 -10.975 -0.097 1.482 1.00 1.97 H new ATOM 0 HZ1 LYS A 63 -12.732 1.420 2.057 1.00 3.03 H new ATOM 0 HZ2 LYS A 63 -11.253 1.982 2.674 1.00 3.03 H new ATOM 0 HZ3 LYS A 63 -11.927 2.706 1.294 1.00 3.03 H new ATOM 930 N ILE A 64 -6.261 -2.624 0.878 1.00 0.37 N ATOM 931 CA ILE A 64 -5.502 -3.536 0.038 1.00 0.30 C ATOM 932 C ILE A 64 -6.483 -4.575 -0.537 1.00 0.31 C ATOM 933 O ILE A 64 -6.569 -4.753 -1.755 1.00 0.36 O ATOM 934 CB ILE A 64 -4.380 -4.150 0.892 1.00 0.27 C ATOM 935 CG1 ILE A 64 -3.084 -3.337 0.766 1.00 0.31 C ATOM 936 CG2 ILE A 64 -4.141 -5.637 0.645 1.00 0.30 C ATOM 937 CD1 ILE A 64 -2.354 -3.545 -0.564 1.00 0.39 C ATOM 0 H ILE A 64 -5.863 -2.521 1.812 1.00 0.37 H new ATOM 0 HA ILE A 64 -5.025 -3.040 -0.807 1.00 0.30 H new ATOM 0 HB ILE A 64 -4.730 -4.091 1.923 1.00 0.27 H new ATOM 0 HG12 ILE A 64 -3.317 -2.278 0.881 1.00 0.31 H new ATOM 0 HG13 ILE A 64 -2.415 -3.607 1.583 1.00 0.31 H new ATOM 0 HG21 ILE A 64 -3.334 -5.988 1.288 1.00 0.30 H new ATOM 0 HG22 ILE A 64 -5.051 -6.194 0.869 1.00 0.30 H new ATOM 0 HG23 ILE A 64 -3.867 -5.793 -0.398 1.00 0.30 H new ATOM 0 HD11 ILE A 64 -1.448 -2.939 -0.581 1.00 0.39 H new ATOM 0 HD12 ILE A 64 -2.089 -4.597 -0.673 1.00 0.39 H new ATOM 0 HD13 ILE A 64 -3.005 -3.248 -1.386 1.00 0.39 H new ATOM 949 N GLU A 65 -7.261 -5.211 0.350 1.00 0.29 N ATOM 950 CA GLU A 65 -8.305 -6.149 -0.041 1.00 0.32 C ATOM 951 C GLU A 65 -9.305 -5.460 -0.966 1.00 0.40 C ATOM 952 O GLU A 65 -9.549 -5.923 -2.077 1.00 0.48 O ATOM 953 CB GLU A 65 -9.014 -6.708 1.202 1.00 0.32 C ATOM 954 CG GLU A 65 -8.159 -7.738 1.946 1.00 0.39 C ATOM 955 CD GLU A 65 -8.195 -9.093 1.254 1.00 0.77 C ATOM 956 OE1 GLU A 65 -9.259 -9.741 1.333 1.00 1.41 O ATOM 957 OE2 GLU A 65 -7.158 -9.459 0.663 1.00 2.21 O ATOM 0 H GLU A 65 -7.178 -5.084 1.359 1.00 0.29 H new ATOM 0 HA GLU A 65 -7.850 -6.981 -0.578 1.00 0.32 H new ATOM 0 HB2 GLU A 65 -9.260 -5.888 1.877 1.00 0.32 H new ATOM 0 HB3 GLU A 65 -9.956 -7.169 0.904 1.00 0.32 H new ATOM 0 HG2 GLU A 65 -7.129 -7.385 2.004 1.00 0.39 H new ATOM 0 HG3 GLU A 65 -8.519 -7.841 2.970 1.00 0.39 H new ATOM 964 N LYS A 66 -9.891 -4.343 -0.523 1.00 0.45 N ATOM 965 CA LYS A 66 -10.935 -3.661 -1.285 1.00 0.58 C ATOM 966 C LYS A 66 -10.479 -3.241 -2.691 1.00 0.64 C ATOM 967 O LYS A 66 -11.277 -3.252 -3.627 1.00 0.73 O ATOM 968 CB LYS A 66 -11.486 -2.465 -0.489 1.00 0.66 C ATOM 969 CG LYS A 66 -12.960 -2.657 -0.116 1.00 0.66 C ATOM 970 CD LYS A 66 -13.871 -2.546 -1.348 1.00 2.19 C ATOM 971 CE LYS A 66 -15.336 -2.768 -0.944 1.00 2.69 C ATOM 972 NZ LYS A 66 -16.249 -2.693 -2.103 1.00 4.30 N ATOM 0 H LYS A 66 -9.657 -3.893 0.362 1.00 0.45 H new ATOM 0 HA LYS A 66 -11.740 -4.380 -1.437 1.00 0.58 H new ATOM 0 HB2 LYS A 66 -10.897 -2.330 0.418 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -11.376 -1.555 -1.079 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -13.094 -3.633 0.350 1.00 0.66 H new ATOM 0 HG3 LYS A 66 -13.250 -1.909 0.621 1.00 0.66 H new ATOM 0 HD2 LYS A 66 -13.757 -1.564 -1.807 1.00 2.19 H new ATOM 0 HD3 LYS A 66 -13.576 -3.283 -2.095 1.00 2.19 H new ATOM 0 HE2 LYS A 66 -15.436 -3.743 -0.466 1.00 2.69 H new ATOM 0 HE3 LYS A 66 -15.625 -2.020 -0.206 1.00 2.69 H new ATOM 0 HZ1 LYS A 66 -17.227 -2.848 -1.785 1.00 4.30 H new ATOM 0 HZ2 LYS A 66 -16.173 -1.754 -2.544 1.00 4.30 H new ATOM 0 HZ3 LYS A 66 -15.990 -3.423 -2.797 1.00 4.30 H new ATOM 986 N LEU A 67 -9.210 -2.855 -2.834 1.00 0.60 N ATOM 987 CA LEU A 67 -8.573 -2.505 -4.099 1.00 0.66 C ATOM 988 C LEU A 67 -8.370 -3.740 -4.984 1.00 0.67 C ATOM 989 O LEU A 67 -8.150 -3.598 -6.185 1.00 0.75 O ATOM 990 CB LEU A 67 -7.253 -1.768 -3.829 1.00 0.63 C ATOM 991 CG LEU A 67 -7.496 -0.353 -3.269 1.00 0.74 C ATOM 992 CD1 LEU A 67 -6.261 0.137 -2.512 1.00 0.70 C ATOM 993 CD2 LEU A 67 -7.814 0.649 -4.387 1.00 0.92 C ATOM 0 H LEU A 67 -8.576 -2.775 -2.039 1.00 0.60 H new ATOM 0 HA LEU A 67 -9.231 -1.834 -4.651 1.00 0.66 H new ATOM 0 HB2 LEU A 67 -6.654 -2.342 -3.122 1.00 0.63 H new ATOM 0 HB3 LEU A 67 -6.678 -1.700 -4.753 1.00 0.63 H new ATOM 0 HG LEU A 67 -8.351 -0.415 -2.596 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -6.447 1.138 -2.122 1.00 0.70 H new ATOM 0 HD12 LEU A 67 -6.048 -0.541 -1.685 1.00 0.70 H new ATOM 0 HD13 LEU A 67 -5.407 0.164 -3.188 1.00 0.70 H new ATOM 0 HD21 LEU A 67 -7.980 1.636 -3.955 1.00 0.92 H new ATOM 0 HD22 LEU A 67 -6.977 0.694 -5.084 1.00 0.92 H new ATOM 0 HD23 LEU A 67 -8.711 0.330 -4.917 1.00 0.92 H new ATOM 1005 N GLY A 68 -8.434 -4.940 -4.403 1.00 0.61 N ATOM 1006 CA GLY A 68 -8.356 -6.207 -5.109 1.00 0.65 C ATOM 1007 C GLY A 68 -6.936 -6.755 -5.081 1.00 0.55 C ATOM 1008 O GLY A 68 -6.477 -7.306 -6.081 1.00 0.55 O ATOM 0 H GLY A 68 -8.545 -5.053 -3.395 1.00 0.61 H new ATOM 0 HA2 GLY A 68 -9.037 -6.925 -4.652 1.00 0.65 H new ATOM 0 HA3 GLY A 68 -8.679 -6.074 -6.142 1.00 0.65 H new ATOM 1012 N TYR A 69 -6.233 -6.600 -3.954 1.00 0.48 N ATOM 1013 CA TYR A 69 -4.845 -7.005 -3.815 1.00 0.41 C ATOM 1014 C TYR A 69 -4.610 -7.699 -2.483 1.00 0.35 C ATOM 1015 O TYR A 69 -5.502 -7.737 -1.642 1.00 0.33 O ATOM 1016 CB TYR A 69 -3.965 -5.760 -3.917 1.00 0.38 C ATOM 1017 CG TYR A 69 -3.066 -5.840 -5.116 1.00 0.37 C ATOM 1018 CD1 TYR A 69 -3.604 -5.632 -6.395 1.00 1.76 C ATOM 1019 CD2 TYR A 69 -1.708 -6.148 -4.962 1.00 1.70 C ATOM 1020 CE1 TYR A 69 -2.754 -5.576 -7.504 1.00 1.74 C ATOM 1021 CE2 TYR A 69 -0.854 -6.053 -6.068 1.00 1.74 C ATOM 1022 CZ TYR A 69 -1.374 -5.771 -7.343 1.00 0.45 C ATOM 1023 OH TYR A 69 -0.545 -5.665 -8.419 1.00 0.51 O ATOM 0 H TYR A 69 -6.623 -6.185 -3.108 1.00 0.48 H new ATOM 0 HA TYR A 69 -4.595 -7.712 -4.607 1.00 0.41 H new ATOM 0 HB2 TYR A 69 -4.592 -4.871 -3.985 1.00 0.38 H new ATOM 0 HB3 TYR A 69 -3.365 -5.658 -3.013 1.00 0.38 H new ATOM 0 HD1 TYR A 69 -4.670 -5.516 -6.522 1.00 1.76 H new ATOM 0 HD2 TYR A 69 -1.324 -6.455 -4.001 1.00 1.70 H new ATOM 0 HE1 TYR A 69 -3.160 -5.382 -8.486 1.00 1.74 H new ATOM 0 HE2 TYR A 69 0.209 -6.197 -5.941 1.00 1.74 H new ATOM 0 HH TYR A 69 -0.902 -6.197 -9.161 1.00 0.51 H new ATOM 1033 N HIS A 70 -3.387 -8.199 -2.280 1.00 0.35 N ATOM 1034 CA HIS A 70 -2.956 -8.682 -0.983 1.00 0.34 C ATOM 1035 C HIS A 70 -1.519 -8.235 -0.723 1.00 0.35 C ATOM 1036 O HIS A 70 -0.677 -8.277 -1.623 1.00 0.56 O ATOM 1037 CB HIS A 70 -3.138 -10.201 -0.888 1.00 0.40 C ATOM 1038 CG HIS A 70 -3.519 -10.630 0.504 1.00 0.69 C ATOM 1039 ND1 HIS A 70 -4.719 -10.355 1.119 1.00 2.18 N ATOM 1040 CD2 HIS A 70 -2.735 -11.297 1.407 1.00 1.38 C ATOM 1041 CE1 HIS A 70 -4.660 -10.850 2.364 1.00 1.99 C ATOM 1042 NE2 HIS A 70 -3.472 -11.437 2.587 1.00 1.17 N ATOM 0 H HIS A 70 -2.679 -8.276 -3.010 1.00 0.35 H new ATOM 0 HA HIS A 70 -3.577 -8.250 -0.199 1.00 0.34 H new ATOM 0 HB2 HIS A 70 -3.908 -10.520 -1.591 1.00 0.40 H new ATOM 0 HB3 HIS A 70 -2.213 -10.697 -1.182 1.00 0.40 H new ATOM 0 HD1 HIS A 70 -5.510 -9.864 0.703 1.00 2.18 H new ATOM 0 HD2 HIS A 70 -1.729 -11.651 1.238 1.00 1.38 H new ATOM 0 HE1 HIS A 70 -5.458 -10.786 3.088 1.00 1.99 H new ATOM 1050 N VAL A 71 -1.260 -7.785 0.506 1.00 0.34 N ATOM 1051 CA VAL A 71 0.043 -7.359 0.993 1.00 0.38 C ATOM 1052 C VAL A 71 0.496 -8.408 2.004 1.00 0.42 C ATOM 1053 O VAL A 71 -0.339 -8.959 2.720 1.00 0.55 O ATOM 1054 CB VAL A 71 -0.070 -5.944 1.597 1.00 0.50 C ATOM 1055 CG1 VAL A 71 -0.784 -5.909 2.955 1.00 1.50 C ATOM 1056 CG2 VAL A 71 1.300 -5.273 1.731 1.00 1.18 C ATOM 0 H VAL A 71 -1.988 -7.706 1.216 1.00 0.34 H new ATOM 0 HA VAL A 71 0.786 -7.289 0.198 1.00 0.38 H new ATOM 0 HB VAL A 71 -0.683 -5.387 0.888 1.00 0.50 H new ATOM 0 HG11 VAL A 71 -0.826 -4.882 3.318 1.00 1.50 H new ATOM 0 HG12 VAL A 71 -1.797 -6.296 2.844 1.00 1.50 H new ATOM 0 HG13 VAL A 71 -0.237 -6.524 3.670 1.00 1.50 H new ATOM 0 HG21 VAL A 71 1.178 -4.279 2.160 1.00 1.18 H new ATOM 0 HG22 VAL A 71 1.937 -5.873 2.381 1.00 1.18 H new ATOM 0 HG23 VAL A 71 1.762 -5.189 0.747 1.00 1.18 H new ATOM 1066 N VAL A 72 1.795 -8.705 2.052 1.00 0.39 N ATOM 1067 CA VAL A 72 2.368 -9.666 2.977 1.00 0.44 C ATOM 1068 C VAL A 72 3.268 -8.918 3.954 1.00 0.49 C ATOM 1069 O VAL A 72 4.103 -8.093 3.575 1.00 0.40 O ATOM 1070 CB VAL A 72 3.112 -10.780 2.246 1.00 0.44 C ATOM 1071 CG1 VAL A 72 3.529 -11.901 3.210 1.00 0.54 C ATOM 1072 CG2 VAL A 72 2.276 -11.376 1.107 1.00 0.50 C ATOM 0 H VAL A 72 2.485 -8.274 1.436 1.00 0.39 H new ATOM 0 HA VAL A 72 1.570 -10.160 3.532 1.00 0.44 H new ATOM 0 HB VAL A 72 4.005 -10.324 1.819 1.00 0.44 H new ATOM 0 HG11 VAL A 72 4.057 -12.679 2.657 1.00 0.54 H new ATOM 0 HG12 VAL A 72 4.185 -11.494 3.979 1.00 0.54 H new ATOM 0 HG13 VAL A 72 2.642 -12.327 3.678 1.00 0.54 H new ATOM 0 HG21 VAL A 72 2.843 -12.165 0.614 1.00 0.50 H new ATOM 0 HG22 VAL A 72 1.353 -11.791 1.512 1.00 0.50 H new ATOM 0 HG23 VAL A 72 2.036 -10.596 0.385 1.00 0.50 H new ATOM 1082 N ILE A 73 3.070 -9.225 5.230 1.00 0.71 N ATOM 1083 CA ILE A 73 3.723 -8.573 6.349 1.00 0.84 C ATOM 1084 C ILE A 73 4.917 -9.428 6.753 1.00 0.87 C ATOM 1085 O ILE A 73 4.864 -10.160 7.737 1.00 0.89 O ATOM 1086 CB ILE A 73 2.723 -8.328 7.493 1.00 0.92 C ATOM 1087 CG1 ILE A 73 1.503 -7.515 7.020 1.00 1.06 C ATOM 1088 CG2 ILE A 73 3.398 -7.620 8.680 1.00 1.05 C ATOM 1089 CD1 ILE A 73 1.824 -6.118 6.475 1.00 1.11 C ATOM 0 H ILE A 73 2.427 -9.962 5.520 1.00 0.71 H new ATOM 0 HA ILE A 73 4.090 -7.584 6.074 1.00 0.84 H new ATOM 0 HB ILE A 73 2.373 -9.306 7.822 1.00 0.92 H new ATOM 0 HG12 ILE A 73 0.987 -8.081 6.244 1.00 1.06 H new ATOM 0 HG13 ILE A 73 0.809 -7.412 7.854 1.00 1.06 H new ATOM 0 HG21 ILE A 73 2.667 -7.461 9.472 1.00 1.05 H new ATOM 0 HG22 ILE A 73 4.213 -8.238 9.057 1.00 1.05 H new ATOM 0 HG23 ILE A 73 3.794 -6.659 8.353 1.00 1.05 H new ATOM 0 HD11 ILE A 73 0.901 -5.626 6.168 1.00 1.11 H new ATOM 0 HD12 ILE A 73 2.309 -5.527 7.252 1.00 1.11 H new ATOM 0 HD13 ILE A 73 2.490 -6.206 5.617 1.00 1.11 H new ATOM 1101 N GLU A 74 6.001 -9.342 5.978 1.00 0.95 N ATOM 1102 CA GLU A 74 7.205 -10.114 6.240 1.00 1.03 C ATOM 1103 C GLU A 74 7.984 -9.642 7.472 1.00 1.24 C ATOM 1104 O GLU A 74 8.888 -10.319 7.952 1.00 1.47 O ATOM 1105 CB GLU A 74 8.074 -10.245 4.988 1.00 1.10 C ATOM 1106 CG GLU A 74 8.497 -11.703 4.765 1.00 1.27 C ATOM 1107 CD GLU A 74 9.550 -11.814 3.673 1.00 1.92 C ATOM 1108 OE1 GLU A 74 9.136 -11.856 2.496 1.00 2.55 O ATOM 1109 OE2 GLU A 74 10.745 -11.834 4.035 1.00 3.24 O ATOM 0 H GLU A 74 6.063 -8.738 5.158 1.00 0.95 H new ATOM 0 HA GLU A 74 6.873 -11.119 6.500 1.00 1.03 H new ATOM 0 HB2 GLU A 74 7.523 -9.885 4.119 1.00 1.10 H new ATOM 0 HB3 GLU A 74 8.959 -9.617 5.087 1.00 1.10 H new ATOM 0 HG2 GLU A 74 8.889 -12.116 5.694 1.00 1.27 H new ATOM 0 HG3 GLU A 74 7.625 -12.299 4.494 1.00 1.27 H new ATOM 1116 N GLY A 75 7.613 -8.469 7.973 1.00 1.28 N ATOM 1117 CA GLY A 75 8.293 -7.780 9.056 1.00 1.54 C ATOM 1118 C GLY A 75 9.550 -7.106 8.513 1.00 2.05 C ATOM 1119 O GLY A 75 10.640 -7.673 8.569 1.00 2.67 O ATOM 0 H GLY A 75 6.803 -7.957 7.623 1.00 1.28 H new ATOM 0 HA2 GLY A 75 7.632 -7.037 9.502 1.00 1.54 H new ATOM 0 HA3 GLY A 75 8.556 -8.486 9.843 1.00 1.54 H new ATOM 1123 N ARG A 76 9.398 -5.895 7.978 1.00 3.32 N ATOM 1124 CA ARG A 76 10.476 -5.070 7.480 1.00 5.19 C ATOM 1125 C ARG A 76 10.048 -3.623 7.734 1.00 6.32 C ATOM 1126 O ARG A 76 10.887 -2.724 7.501 1.00 7.68 O ATOM 1127 CB ARG A 76 10.677 -5.343 5.984 1.00 6.47 C ATOM 1128 CG ARG A 76 12.088 -4.954 5.523 1.00 8.41 C ATOM 1129 CD ARG A 76 12.989 -6.199 5.451 1.00 9.37 C ATOM 1130 NE ARG A 76 14.422 -5.867 5.525 1.00 10.74 N ATOM 1131 CZ ARG A 76 15.126 -5.184 4.608 1.00 12.09 C ATOM 1132 NH1 ARG A 76 14.534 -4.764 3.486 1.00 12.47 N ATOM 1133 NH2 ARG A 76 16.421 -4.925 4.820 1.00 13.34 N ATOM 1134 OXT ARG A 76 8.880 -3.452 8.160 1.00 6.44 O ATOM 0 H ARG A 76 8.484 -5.454 7.880 1.00 3.32 H new ATOM 0 HA ARG A 76 11.425 -5.279 7.973 1.00 5.19 H new ATOM 0 HB2 ARG A 76 10.506 -6.400 5.780 1.00 6.47 H new ATOM 0 HB3 ARG A 76 9.939 -4.784 5.409 1.00 6.47 H new ATOM 0 HG2 ARG A 76 12.039 -4.475 4.545 1.00 8.41 H new ATOM 0 HG3 ARG A 76 12.516 -4.227 6.213 1.00 8.41 H new ATOM 0 HD2 ARG A 76 12.734 -6.875 6.267 1.00 9.37 H new ATOM 0 HD3 ARG A 76 12.791 -6.733 4.521 1.00 9.37 H new ATOM 0 HE ARG A 76 14.928 -6.186 6.351 1.00 10.74 H new ATOM 0 HH11 ARG A 76 13.546 -4.962 3.326 1.00 12.47 H new ATOM 0 HH12 ARG A 76 15.070 -4.245 2.790 1.00 12.47 H new ATOM 0 HH21 ARG A 76 16.872 -5.246 5.677 1.00 13.34 H new ATOM 0 HH22 ARG A 76 16.958 -4.406 4.125 1.00 13.34 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -1.303 -6.046 -13.624 1.00 1.62 CU