USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 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 57 THR OG1 : rot -158:sc= -0.074 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0514 X(o=-0.13,f=-0.013) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.0494 X(o=1.1,f=0.74) USER MOD Set 2.2: A 45 THR OG1 : rot 61:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -97:sc= 1.2 USER MOD Single : A 5 GLN : amide:sc= -1.69 K(o=-1.7,f=-6.9!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0117 (180deg=-0.192) USER MOD Single : A 10 MET CE :methyl 167:sc= 0 (180deg=-0.215) USER MOD Single : A 13 SER OG : rot 16:sc= 0.846 USER MOD Single : A 15 MET CE :methyl 180:sc=-0.000557 (180deg=-0.000557) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.14 (180deg=1.01) USER MOD Single : A 31 MET CE :methyl 158:sc= -2.04 (180deg=-4.99!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.017) USER MOD Single : A 40 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.7) USER MOD Single : A 43 THR OG1 : rot -52:sc=0.000662 USER MOD Single : A 47 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0208 USER MOD Single : A 55 THR OG1 : rot 80:sc= 0.863 USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= 1.28 (180deg=-0.631) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 1.09 (180deg=1.03) USER MOD Single : A 69 TYR OH : rot 171:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.415 18.460 15.500 1.00 5.77 N ATOM 2 CA MET A 1 2.316 18.609 16.474 1.00 4.29 C ATOM 3 C MET A 1 0.964 18.617 15.751 1.00 2.58 C ATOM 4 O MET A 1 0.291 19.642 15.716 1.00 2.99 O ATOM 5 CB MET A 1 2.504 19.883 17.317 1.00 5.36 C ATOM 6 CG MET A 1 3.484 19.719 18.482 1.00 6.65 C ATOM 7 SD MET A 1 3.685 21.241 19.445 1.00 8.10 S ATOM 8 CE MET A 1 4.500 20.592 20.919 1.00 9.13 C ATOM 0 H1 MET A 1 4.326 18.456 16.002 1.00 5.77 H new ATOM 0 H2 MET A 1 3.301 17.565 14.982 1.00 5.77 H new ATOM 0 H3 MET A 1 3.394 19.254 14.828 1.00 5.77 H new ATOM 0 HA MET A 1 2.334 17.757 17.154 1.00 4.29 H new ATOM 0 HB2 MET A 1 2.856 20.686 16.670 1.00 5.36 H new ATOM 0 HB3 MET A 1 1.536 20.192 17.711 1.00 5.36 H new ATOM 0 HG2 MET A 1 3.133 18.922 19.138 1.00 6.65 H new ATOM 0 HG3 MET A 1 4.454 19.408 18.095 1.00 6.65 H new ATOM 0 HE1 MET A 1 4.694 21.407 21.616 1.00 9.13 H new ATOM 0 HE2 MET A 1 3.856 19.853 21.395 1.00 9.13 H new ATOM 0 HE3 MET A 1 5.443 20.123 20.637 1.00 9.13 H new ATOM 20 N LEU A 2 0.582 17.481 15.160 1.00 1.83 N ATOM 21 CA LEU A 2 -0.743 17.267 14.578 1.00 1.22 C ATOM 22 C LEU A 2 -0.808 15.807 14.134 1.00 1.29 C ATOM 23 O LEU A 2 -1.529 15.003 14.715 1.00 2.39 O ATOM 24 CB LEU A 2 -1.034 18.235 13.406 1.00 2.78 C ATOM 25 CG LEU A 2 -2.474 18.770 13.457 1.00 4.05 C ATOM 26 CD1 LEU A 2 -2.654 19.847 12.383 1.00 5.49 C ATOM 27 CD2 LEU A 2 -3.501 17.652 13.239 1.00 5.39 C ATOM 0 H LEU A 2 1.196 16.672 15.072 1.00 1.83 H new ATOM 0 HA LEU A 2 -1.513 17.477 15.320 1.00 1.22 H new ATOM 0 HB2 LEU A 2 -0.334 19.070 13.441 1.00 2.78 H new ATOM 0 HB3 LEU A 2 -0.870 17.720 12.459 1.00 2.78 H new ATOM 0 HG LEU A 2 -2.643 19.192 14.447 1.00 4.05 H new ATOM 0 HD11 LEU A 2 -3.675 20.228 12.417 1.00 5.49 H new ATOM 0 HD12 LEU A 2 -1.956 20.664 12.566 1.00 5.49 H new ATOM 0 HD13 LEU A 2 -2.460 19.417 11.400 1.00 5.49 H new ATOM 0 HD21 LEU A 2 -4.507 18.069 13.282 1.00 5.39 H new ATOM 0 HD22 LEU A 2 -3.339 17.194 12.263 1.00 5.39 H new ATOM 0 HD23 LEU A 2 -3.388 16.897 14.017 1.00 5.39 H new ATOM 39 N SER A 3 0.034 15.489 13.151 1.00 0.54 N ATOM 40 CA SER A 3 0.229 14.181 12.558 1.00 0.46 C ATOM 41 C SER A 3 1.727 14.061 12.315 1.00 0.51 C ATOM 42 O SER A 3 2.325 15.017 11.816 1.00 0.85 O ATOM 43 CB SER A 3 -0.522 14.131 11.223 1.00 0.54 C ATOM 44 OG SER A 3 -1.905 13.993 11.461 1.00 0.83 O ATOM 0 H SER A 3 0.636 16.193 12.724 1.00 0.54 H new ATOM 0 HA SER A 3 -0.138 13.374 13.192 1.00 0.46 H new ATOM 0 HB2 SER A 3 -0.330 15.040 10.653 1.00 0.54 H new ATOM 0 HB3 SER A 3 -0.161 13.296 10.623 1.00 0.54 H new ATOM 0 HG SER A 3 -2.158 13.050 11.381 1.00 0.83 H new ATOM 50 N GLU A 4 2.335 12.934 12.685 1.00 0.41 N ATOM 51 CA GLU A 4 3.653 12.572 12.205 1.00 0.40 C ATOM 52 C GLU A 4 3.494 11.871 10.858 1.00 0.44 C ATOM 53 O GLU A 4 2.389 11.774 10.328 1.00 0.67 O ATOM 54 CB GLU A 4 4.345 11.688 13.244 1.00 0.47 C ATOM 55 CG GLU A 4 5.167 12.493 14.234 1.00 0.61 C ATOM 56 CD GLU A 4 6.129 11.629 15.046 1.00 1.01 C ATOM 57 OE1 GLU A 4 6.847 10.820 14.416 1.00 2.09 O ATOM 58 OE2 GLU A 4 6.133 11.803 16.282 1.00 2.01 O ATOM 0 H GLU A 4 1.923 12.254 13.324 1.00 0.41 H new ATOM 0 HA GLU A 4 4.281 13.452 12.062 1.00 0.40 H new ATOM 0 HB2 GLU A 4 3.594 11.111 13.784 1.00 0.47 H new ATOM 0 HB3 GLU A 4 4.992 10.973 12.736 1.00 0.47 H new ATOM 0 HG2 GLU A 4 5.734 13.252 13.696 1.00 0.61 H new ATOM 0 HG3 GLU A 4 4.496 13.019 14.914 1.00 0.61 H new ATOM 65 N GLN A 5 4.602 11.384 10.301 1.00 0.37 N ATOM 66 CA GLN A 5 4.614 10.504 9.153 1.00 0.36 C ATOM 67 C GLN A 5 5.601 9.384 9.443 1.00 0.35 C ATOM 68 O GLN A 5 6.620 9.631 10.087 1.00 0.42 O ATOM 69 CB GLN A 5 5.103 11.270 7.926 1.00 0.43 C ATOM 70 CG GLN A 5 4.126 12.349 7.452 1.00 0.53 C ATOM 71 CD GLN A 5 3.220 11.864 6.330 1.00 0.53 C ATOM 72 OE1 GLN A 5 2.910 12.633 5.430 1.00 1.13 O ATOM 73 NE2 GLN A 5 2.818 10.594 6.333 1.00 0.45 N ATOM 0 H GLN A 5 5.535 11.601 10.651 1.00 0.37 H new ATOM 0 HA GLN A 5 3.613 10.115 8.965 1.00 0.36 H new ATOM 0 HB2 GLN A 5 6.062 11.735 8.156 1.00 0.43 H new ATOM 0 HB3 GLN A 5 5.277 10.565 7.113 1.00 0.43 H new ATOM 0 HG2 GLN A 5 3.514 12.675 8.293 1.00 0.53 H new ATOM 0 HG3 GLN A 5 4.688 13.218 7.111 1.00 0.53 H new ATOM 0 HE21 GLN A 5 3.091 9.974 7.096 1.00 0.45 H new ATOM 0 HE22 GLN A 5 2.237 10.241 5.572 1.00 0.45 H new ATOM 82 N LYS A 6 5.323 8.182 8.938 1.00 0.31 N ATOM 83 CA LYS A 6 6.315 7.134 8.796 1.00 0.32 C ATOM 84 C LYS A 6 6.115 6.393 7.482 1.00 0.28 C ATOM 85 O LYS A 6 5.027 6.397 6.900 1.00 0.26 O ATOM 86 CB LYS A 6 6.338 6.178 9.994 1.00 0.41 C ATOM 87 CG LYS A 6 6.903 6.894 11.225 1.00 0.93 C ATOM 88 CD LYS A 6 7.201 5.919 12.370 1.00 1.11 C ATOM 89 CE LYS A 6 8.042 6.608 13.456 1.00 2.06 C ATOM 90 NZ LYS A 6 9.427 6.867 13.007 1.00 2.77 N ATOM 0 H LYS A 6 4.393 7.913 8.615 1.00 0.31 H new ATOM 0 HA LYS A 6 7.296 7.609 8.776 1.00 0.32 H new ATOM 0 HB2 LYS A 6 5.330 5.819 10.203 1.00 0.41 H new ATOM 0 HB3 LYS A 6 6.946 5.304 9.761 1.00 0.41 H new ATOM 0 HG2 LYS A 6 7.817 7.421 10.950 1.00 0.93 H new ATOM 0 HG3 LYS A 6 6.191 7.646 11.565 1.00 0.93 H new ATOM 0 HD2 LYS A 6 6.267 5.557 12.800 1.00 1.11 H new ATOM 0 HD3 LYS A 6 7.734 5.049 11.986 1.00 1.11 H new ATOM 0 HE2 LYS A 6 7.570 7.550 13.736 1.00 2.06 H new ATOM 0 HE3 LYS A 6 8.062 5.983 14.349 1.00 2.06 H new ATOM 0 HZ1 LYS A 6 10.030 7.059 13.833 1.00 2.77 H new ATOM 0 HZ2 LYS A 6 9.789 6.034 12.500 1.00 2.77 H new ATOM 0 HZ3 LYS A 6 9.438 7.691 12.372 1.00 2.77 H new ATOM 104 N GLU A 7 7.219 5.795 7.043 1.00 0.33 N ATOM 105 CA GLU A 7 7.463 5.207 5.752 1.00 0.35 C ATOM 106 C GLU A 7 7.600 3.716 5.979 1.00 0.41 C ATOM 107 O GLU A 7 8.687 3.185 6.202 1.00 0.71 O ATOM 108 CB GLU A 7 8.754 5.765 5.142 1.00 0.42 C ATOM 109 CG GLU A 7 9.021 7.252 5.421 1.00 0.50 C ATOM 110 CD GLU A 7 9.739 7.527 6.749 1.00 0.68 C ATOM 111 OE1 GLU A 7 9.558 6.732 7.702 1.00 0.78 O ATOM 112 OE2 GLU A 7 10.455 8.548 6.794 1.00 1.45 O ATOM 0 H GLU A 7 8.035 5.708 7.648 1.00 0.33 H new ATOM 0 HA GLU A 7 6.651 5.433 5.061 1.00 0.35 H new ATOM 0 HB2 GLU A 7 9.596 5.184 5.520 1.00 0.42 H new ATOM 0 HB3 GLU A 7 8.721 5.615 4.063 1.00 0.42 H new ATOM 0 HG2 GLU A 7 9.619 7.661 4.607 1.00 0.50 H new ATOM 0 HG3 GLU A 7 8.071 7.786 5.418 1.00 0.50 H new ATOM 119 N ILE A 8 6.475 3.027 5.965 1.00 0.33 N ATOM 120 CA ILE A 8 6.475 1.625 6.252 1.00 0.35 C ATOM 121 C ILE A 8 6.855 0.916 4.957 1.00 0.30 C ATOM 122 O ILE A 8 6.771 1.510 3.881 1.00 0.31 O ATOM 123 CB ILE A 8 5.104 1.269 6.807 1.00 0.49 C ATOM 124 CG1 ILE A 8 4.572 2.209 7.894 1.00 1.25 C ATOM 125 CG2 ILE A 8 5.087 -0.175 7.264 1.00 0.72 C ATOM 126 CD1 ILE A 8 5.585 2.363 9.006 1.00 2.18 C ATOM 0 H ILE A 8 5.558 3.423 5.758 1.00 0.33 H new ATOM 0 HA ILE A 8 7.195 1.315 7.009 1.00 0.35 H new ATOM 0 HB ILE A 8 4.408 1.405 5.979 1.00 0.49 H new ATOM 0 HG12 ILE A 8 4.348 3.184 7.461 1.00 1.25 H new ATOM 0 HG13 ILE A 8 3.638 1.817 8.297 1.00 1.25 H new ATOM 0 HG21 ILE A 8 4.101 -0.420 7.660 1.00 0.72 H new ATOM 0 HG22 ILE A 8 5.311 -0.827 6.419 1.00 0.72 H new ATOM 0 HG23 ILE A 8 5.836 -0.319 8.042 1.00 0.72 H new ATOM 0 HD11 ILE A 8 5.189 3.034 9.768 1.00 2.18 H new ATOM 0 HD12 ILE A 8 5.788 1.389 9.450 1.00 2.18 H new ATOM 0 HD13 ILE A 8 6.509 2.777 8.602 1.00 2.18 H new ATOM 138 N ALA A 9 7.320 -0.325 5.077 1.00 0.32 N ATOM 139 CA ALA A 9 7.746 -1.181 3.985 1.00 0.31 C ATOM 140 C ALA A 9 7.076 -2.531 4.199 1.00 0.40 C ATOM 141 O ALA A 9 7.006 -2.980 5.342 1.00 0.60 O ATOM 142 CB ALA A 9 9.269 -1.339 4.008 1.00 0.31 C ATOM 0 H ALA A 9 7.413 -0.779 5.986 1.00 0.32 H new ATOM 0 HA ALA A 9 7.469 -0.756 3.020 1.00 0.31 H new ATOM 0 HB1 ALA A 9 9.580 -1.983 3.185 1.00 0.31 H new ATOM 0 HB2 ALA A 9 9.738 -0.361 3.901 1.00 0.31 H new ATOM 0 HB3 ALA A 9 9.574 -1.786 4.954 1.00 0.31 H new ATOM 148 N MET A 10 6.567 -3.164 3.141 1.00 0.30 N ATOM 149 CA MET A 10 6.052 -4.522 3.230 1.00 0.34 C ATOM 150 C MET A 10 6.081 -5.204 1.862 1.00 0.29 C ATOM 151 O MET A 10 6.456 -4.577 0.867 1.00 0.29 O ATOM 152 CB MET A 10 4.678 -4.563 3.921 1.00 0.60 C ATOM 153 CG MET A 10 3.565 -3.751 3.253 1.00 1.24 C ATOM 154 SD MET A 10 3.634 -1.950 3.449 1.00 1.95 S ATOM 155 CE MET A 10 2.010 -1.525 2.782 1.00 2.71 C ATOM 0 H MET A 10 6.502 -2.752 2.210 1.00 0.30 H new ATOM 0 HA MET A 10 6.711 -5.106 3.872 1.00 0.34 H new ATOM 0 HB2 MET A 10 4.355 -5.602 3.982 1.00 0.60 H new ATOM 0 HB3 MET A 10 4.797 -4.206 4.944 1.00 0.60 H new ATOM 0 HG2 MET A 10 3.573 -3.977 2.187 1.00 1.24 H new ATOM 0 HG3 MET A 10 2.609 -4.099 3.645 1.00 1.24 H new ATOM 0 HE1 MET A 10 1.775 -0.489 3.028 1.00 2.71 H new ATOM 0 HE2 MET A 10 2.018 -1.648 1.699 1.00 2.71 H new ATOM 0 HE3 MET A 10 1.255 -2.181 3.216 1.00 2.71 H new ATOM 165 N GLN A 11 5.712 -6.488 1.829 1.00 0.33 N ATOM 166 CA GLN A 11 5.705 -7.315 0.634 1.00 0.34 C ATOM 167 C GLN A 11 4.313 -7.305 0.003 1.00 0.34 C ATOM 168 O GLN A 11 3.327 -7.000 0.669 1.00 0.36 O ATOM 169 CB GLN A 11 6.130 -8.744 1.011 1.00 0.39 C ATOM 170 CG GLN A 11 7.618 -8.855 1.359 1.00 0.87 C ATOM 171 CD GLN A 11 8.469 -8.363 0.204 1.00 1.44 C ATOM 172 OE1 GLN A 11 9.250 -7.429 0.347 1.00 2.68 O ATOM 173 NE2 GLN A 11 8.224 -8.922 -0.975 1.00 1.04 N ATOM 0 H GLN A 11 5.402 -6.989 2.662 1.00 0.33 H new ATOM 0 HA GLN A 11 6.409 -6.919 -0.098 1.00 0.34 H new ATOM 0 HB2 GLN A 11 5.538 -9.081 1.862 1.00 0.39 H new ATOM 0 HB3 GLN A 11 5.906 -9.414 0.181 1.00 0.39 H new ATOM 0 HG2 GLN A 11 7.834 -8.270 2.253 1.00 0.87 H new ATOM 0 HG3 GLN A 11 7.868 -9.891 1.588 1.00 0.87 H new ATOM 0 HE21 GLN A 11 7.565 -9.698 -1.045 1.00 1.04 H new ATOM 0 HE22 GLN A 11 8.694 -8.576 -1.811 1.00 1.04 H new ATOM 182 N VAL A 12 4.238 -7.645 -1.285 1.00 0.38 N ATOM 183 CA VAL A 12 3.020 -7.627 -2.087 1.00 0.39 C ATOM 184 C VAL A 12 2.671 -9.065 -2.486 1.00 0.44 C ATOM 185 O VAL A 12 3.547 -9.928 -2.520 1.00 0.62 O ATOM 186 CB VAL A 12 3.263 -6.731 -3.318 1.00 0.47 C ATOM 187 CG1 VAL A 12 2.020 -6.622 -4.206 1.00 1.18 C ATOM 188 CG2 VAL A 12 3.655 -5.316 -2.875 1.00 1.11 C ATOM 0 H VAL A 12 5.055 -7.951 -1.814 1.00 0.38 H new ATOM 0 HA VAL A 12 2.178 -7.220 -1.527 1.00 0.39 H new ATOM 0 HB VAL A 12 4.067 -7.196 -3.889 1.00 0.47 H new ATOM 0 HG11 VAL A 12 2.238 -5.981 -5.060 1.00 1.18 H new ATOM 0 HG12 VAL A 12 1.737 -7.614 -4.559 1.00 1.18 H new ATOM 0 HG13 VAL A 12 1.199 -6.193 -3.631 1.00 1.18 H new ATOM 0 HG21 VAL A 12 3.824 -4.693 -3.754 1.00 1.11 H new ATOM 0 HG22 VAL A 12 2.852 -4.887 -2.275 1.00 1.11 H new ATOM 0 HG23 VAL A 12 4.568 -5.360 -2.281 1.00 1.11 H new ATOM 198 N SER A 13 1.401 -9.346 -2.793 1.00 0.44 N ATOM 199 CA SER A 13 0.978 -10.587 -3.423 1.00 0.47 C ATOM 200 C SER A 13 -0.263 -10.329 -4.277 1.00 0.52 C ATOM 201 O SER A 13 -0.891 -9.276 -4.178 1.00 0.62 O ATOM 202 CB SER A 13 0.724 -11.659 -2.359 1.00 0.55 C ATOM 203 OG SER A 13 1.959 -12.128 -1.860 1.00 0.91 O ATOM 0 H SER A 13 0.631 -8.704 -2.605 1.00 0.44 H new ATOM 0 HA SER A 13 1.768 -10.957 -4.077 1.00 0.47 H new ATOM 0 HB2 SER A 13 0.125 -11.246 -1.547 1.00 0.55 H new ATOM 0 HB3 SER A 13 0.155 -12.484 -2.787 1.00 0.55 H new ATOM 0 HG SER A 13 2.672 -11.506 -2.115 1.00 0.91 H new ATOM 209 N GLY A 14 -0.591 -11.290 -5.143 1.00 0.57 N ATOM 210 CA GLY A 14 -1.631 -11.119 -6.146 1.00 0.71 C ATOM 211 C GLY A 14 -1.242 -10.017 -7.131 1.00 0.86 C ATOM 212 O GLY A 14 -2.050 -9.147 -7.442 1.00 1.60 O ATOM 0 H GLY A 14 -0.141 -12.205 -5.165 1.00 0.57 H new ATOM 0 HA2 GLY A 14 -1.787 -12.056 -6.681 1.00 0.71 H new ATOM 0 HA3 GLY A 14 -2.575 -10.867 -5.662 1.00 0.71 H new ATOM 216 N MET A 15 -0.001 -10.072 -7.628 1.00 0.86 N ATOM 217 CA MET A 15 0.523 -9.175 -8.649 1.00 0.97 C ATOM 218 C MET A 15 0.957 -9.999 -9.858 1.00 1.10 C ATOM 219 O MET A 15 1.041 -11.220 -9.762 1.00 1.05 O ATOM 220 CB MET A 15 1.651 -8.308 -8.062 1.00 0.95 C ATOM 221 CG MET A 15 2.932 -9.053 -7.660 1.00 1.00 C ATOM 222 SD MET A 15 4.119 -9.355 -8.996 1.00 1.46 S ATOM 223 CE MET A 15 5.497 -10.037 -8.046 1.00 2.09 C ATOM 0 H MET A 15 0.681 -10.764 -7.318 1.00 0.86 H new ATOM 0 HA MET A 15 -0.247 -8.482 -8.989 1.00 0.97 H new ATOM 0 HB2 MET A 15 1.913 -7.544 -8.794 1.00 0.95 H new ATOM 0 HB3 MET A 15 1.265 -7.790 -7.184 1.00 0.95 H new ATOM 0 HG2 MET A 15 3.432 -8.482 -6.877 1.00 1.00 H new ATOM 0 HG3 MET A 15 2.651 -10.012 -7.225 1.00 1.00 H new ATOM 0 HE1 MET A 15 6.319 -10.279 -8.720 1.00 2.09 H new ATOM 0 HE2 MET A 15 5.833 -9.303 -7.314 1.00 2.09 H new ATOM 0 HE3 MET A 15 5.172 -10.941 -7.531 1.00 2.09 H new ATOM 233 N THR A 16 1.173 -9.327 -10.992 1.00 1.45 N ATOM 234 CA THR A 16 1.683 -9.852 -12.272 1.00 1.61 C ATOM 235 C THR A 16 1.649 -8.768 -13.347 1.00 0.94 C ATOM 236 O THR A 16 2.607 -8.621 -14.099 1.00 1.53 O ATOM 237 CB THR A 16 1.010 -11.150 -12.773 1.00 2.51 C ATOM 238 OG1 THR A 16 -0.267 -11.301 -12.189 1.00 2.99 O ATOM 239 CG2 THR A 16 1.825 -12.415 -12.465 1.00 3.81 C ATOM 0 H THR A 16 0.983 -8.326 -11.049 1.00 1.45 H new ATOM 0 HA THR A 16 2.713 -10.142 -12.067 1.00 1.61 H new ATOM 0 HB THR A 16 0.939 -11.045 -13.856 1.00 2.51 H new ATOM 0 HG1 THR A 16 -0.681 -12.126 -12.517 1.00 2.99 H new ATOM 0 HG21 THR A 16 1.296 -13.290 -12.843 1.00 3.81 H new ATOM 0 HG22 THR A 16 2.801 -12.345 -12.945 1.00 3.81 H new ATOM 0 HG23 THR A 16 1.957 -12.509 -11.387 1.00 3.81 H new ATOM 247 N CYS A 17 0.562 -7.991 -13.385 1.00 0.94 N ATOM 248 CA CYS A 17 0.425 -6.810 -14.228 1.00 1.75 C ATOM 249 C CYS A 17 1.661 -5.906 -14.111 1.00 1.67 C ATOM 250 O CYS A 17 2.129 -5.342 -15.095 1.00 2.98 O ATOM 251 CB CYS A 17 -0.857 -6.078 -13.807 1.00 2.51 C ATOM 252 SG CYS A 17 -1.143 -4.636 -14.859 1.00 2.05 S ATOM 0 H CYS A 17 -0.264 -8.174 -12.815 1.00 0.94 H new ATOM 0 HA CYS A 17 0.353 -7.098 -15.277 1.00 1.75 H new ATOM 0 HB2 CYS A 17 -1.707 -6.757 -13.872 1.00 2.51 H new ATOM 0 HB3 CYS A 17 -0.778 -5.765 -12.766 1.00 2.51 H new ATOM 257 N ALA A 18 2.169 -5.752 -12.882 1.00 1.56 N ATOM 258 CA ALA A 18 3.312 -4.903 -12.557 1.00 1.46 C ATOM 259 C ALA A 18 3.015 -3.419 -12.814 1.00 1.12 C ATOM 260 O ALA A 18 3.932 -2.606 -12.889 1.00 1.77 O ATOM 261 CB ALA A 18 4.579 -5.392 -13.275 1.00 2.22 C ATOM 0 H ALA A 18 1.783 -6.229 -12.067 1.00 1.56 H new ATOM 0 HA ALA A 18 3.501 -4.987 -11.487 1.00 1.46 H new ATOM 0 HB1 ALA A 18 5.416 -4.744 -13.017 1.00 2.22 H new ATOM 0 HB2 ALA A 18 4.802 -6.413 -12.965 1.00 2.22 H new ATOM 0 HB3 ALA A 18 4.419 -5.367 -14.353 1.00 2.22 H new ATOM 267 N ALA A 19 1.727 -3.064 -12.895 1.00 0.82 N ATOM 268 CA ALA A 19 1.236 -1.703 -13.051 1.00 0.53 C ATOM 269 C ALA A 19 0.076 -1.466 -12.082 1.00 0.38 C ATOM 270 O ALA A 19 0.050 -0.455 -11.386 1.00 0.46 O ATOM 271 CB ALA A 19 0.828 -1.467 -14.505 1.00 0.62 C ATOM 0 H ALA A 19 0.973 -3.750 -12.851 1.00 0.82 H new ATOM 0 HA ALA A 19 2.022 -0.987 -12.810 1.00 0.53 H new ATOM 0 HB1 ALA A 19 0.461 -0.447 -14.619 1.00 0.62 H new ATOM 0 HB2 ALA A 19 1.691 -1.617 -15.154 1.00 0.62 H new ATOM 0 HB3 ALA A 19 0.041 -2.169 -14.781 1.00 0.62 H new ATOM 277 N CYS A 20 -0.853 -2.422 -11.976 1.00 0.42 N ATOM 278 CA CYS A 20 -1.877 -2.435 -10.938 1.00 0.42 C ATOM 279 C CYS A 20 -1.305 -2.170 -9.545 1.00 0.35 C ATOM 280 O CYS A 20 -1.908 -1.450 -8.753 1.00 0.40 O ATOM 281 CB CYS A 20 -2.608 -3.783 -10.967 1.00 0.55 C ATOM 282 SG CYS A 20 -3.844 -3.753 -12.289 1.00 1.65 S ATOM 0 H CYS A 20 -0.912 -3.214 -12.617 1.00 0.42 H new ATOM 0 HA CYS A 20 -2.575 -1.624 -11.148 1.00 0.42 H new ATOM 0 HB2 CYS A 20 -1.898 -4.593 -11.133 1.00 0.55 H new ATOM 0 HB3 CYS A 20 -3.088 -3.972 -10.007 1.00 0.55 H new ATOM 287 N ALA A 21 -0.123 -2.712 -9.260 1.00 0.30 N ATOM 288 CA ALA A 21 0.598 -2.455 -8.023 1.00 0.33 C ATOM 289 C ALA A 21 0.696 -0.948 -7.712 1.00 0.30 C ATOM 290 O ALA A 21 0.677 -0.540 -6.557 1.00 0.31 O ATOM 291 CB ALA A 21 1.971 -3.126 -8.117 1.00 0.46 C ATOM 0 H ALA A 21 0.364 -3.349 -9.891 1.00 0.30 H new ATOM 0 HA ALA A 21 0.049 -2.883 -7.184 1.00 0.33 H new ATOM 0 HB1 ALA A 21 2.528 -2.945 -7.198 1.00 0.46 H new ATOM 0 HB2 ALA A 21 1.843 -4.199 -8.258 1.00 0.46 H new ATOM 0 HB3 ALA A 21 2.521 -2.712 -8.962 1.00 0.46 H new ATOM 297 N ALA A 22 0.790 -0.095 -8.738 1.00 0.30 N ATOM 298 CA ALA A 22 0.711 1.349 -8.573 1.00 0.29 C ATOM 299 C ALA A 22 -0.717 1.769 -8.236 1.00 0.27 C ATOM 300 O ALA A 22 -0.945 2.504 -7.276 1.00 0.26 O ATOM 301 CB ALA A 22 1.178 2.040 -9.855 1.00 0.32 C ATOM 0 H ALA A 22 0.923 -0.393 -9.704 1.00 0.30 H new ATOM 0 HA ALA A 22 1.360 1.648 -7.750 1.00 0.29 H new ATOM 0 HB1 ALA A 22 1.118 3.121 -9.728 1.00 0.32 H new ATOM 0 HB2 ALA A 22 2.209 1.756 -10.066 1.00 0.32 H new ATOM 0 HB3 ALA A 22 0.541 1.736 -10.685 1.00 0.32 H new ATOM 307 N ARG A 23 -1.672 1.336 -9.065 1.00 0.33 N ATOM 308 CA ARG A 23 -3.076 1.705 -8.951 1.00 0.35 C ATOM 309 C ARG A 23 -3.563 1.480 -7.524 1.00 0.33 C ATOM 310 O ARG A 23 -4.145 2.387 -6.924 1.00 0.34 O ATOM 311 CB ARG A 23 -3.934 0.894 -9.934 1.00 0.43 C ATOM 312 CG ARG A 23 -3.603 1.178 -11.408 1.00 0.75 C ATOM 313 CD ARG A 23 -4.301 2.446 -11.923 1.00 1.58 C ATOM 314 NE ARG A 23 -5.768 2.297 -11.952 1.00 2.13 N ATOM 315 CZ ARG A 23 -6.464 1.600 -12.869 1.00 2.73 C ATOM 316 NH1 ARG A 23 -5.823 0.972 -13.858 1.00 3.29 N ATOM 317 NH2 ARG A 23 -7.799 1.537 -12.789 1.00 3.78 N ATOM 0 H ARG A 23 -1.482 0.708 -9.846 1.00 0.33 H new ATOM 0 HA ARG A 23 -3.174 2.762 -9.199 1.00 0.35 H new ATOM 0 HB2 ARG A 23 -3.795 -0.169 -9.736 1.00 0.43 H new ATOM 0 HB3 ARG A 23 -4.986 1.116 -9.756 1.00 0.43 H new ATOM 0 HG2 ARG A 23 -2.524 1.286 -11.523 1.00 0.75 H new ATOM 0 HG3 ARG A 23 -3.904 0.326 -12.017 1.00 0.75 H new ATOM 0 HD2 ARG A 23 -4.035 3.290 -11.287 1.00 1.58 H new ATOM 0 HD3 ARG A 23 -3.940 2.677 -12.925 1.00 1.58 H new ATOM 0 HE ARG A 23 -6.300 2.761 -11.215 1.00 2.13 H new ATOM 0 HH11 ARG A 23 -4.806 1.021 -13.918 1.00 3.29 H new ATOM 0 HH12 ARG A 23 -6.350 0.444 -14.553 1.00 3.29 H new ATOM 0 HH21 ARG A 23 -8.288 2.017 -12.033 1.00 3.78 H new ATOM 0 HH22 ARG A 23 -8.327 1.009 -13.484 1.00 3.78 H new ATOM 331 N ILE A 24 -3.310 0.283 -6.985 1.00 0.37 N ATOM 332 CA ILE A 24 -3.735 -0.032 -5.634 1.00 0.43 C ATOM 333 C ILE A 24 -3.152 0.986 -4.653 1.00 0.37 C ATOM 334 O ILE A 24 -3.917 1.646 -3.966 1.00 0.38 O ATOM 335 CB ILE A 24 -3.522 -1.502 -5.246 1.00 0.52 C ATOM 336 CG1 ILE A 24 -2.040 -1.763 -5.005 1.00 0.51 C ATOM 337 CG2 ILE A 24 -4.136 -2.437 -6.294 1.00 0.63 C ATOM 338 CD1 ILE A 24 -1.643 -3.225 -4.869 1.00 0.61 C ATOM 0 H ILE A 24 -2.818 -0.471 -7.464 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.819 0.068 -5.585 1.00 0.43 H new ATOM 0 HB ILE A 24 -4.042 -1.714 -4.312 1.00 0.52 H new ATOM 0 HG12 ILE A 24 -1.474 -1.327 -5.828 1.00 0.51 H new ATOM 0 HG13 ILE A 24 -1.740 -1.238 -4.098 1.00 0.51 H new ATOM 0 HG21 ILE A 24 -3.973 -3.473 -5.998 1.00 0.63 H new ATOM 0 HG22 ILE A 24 -5.206 -2.246 -6.370 1.00 0.63 H new ATOM 0 HG23 ILE A 24 -3.666 -2.258 -7.261 1.00 0.63 H new ATOM 0 HD11 ILE A 24 -0.568 -3.296 -4.700 1.00 0.61 H new ATOM 0 HD12 ILE A 24 -2.173 -3.669 -4.026 1.00 0.61 H new ATOM 0 HD13 ILE A 24 -1.903 -3.759 -5.783 1.00 0.61 H new ATOM 350 N GLU A 25 -1.833 1.191 -4.632 1.00 0.35 N ATOM 351 CA GLU A 25 -1.197 2.149 -3.738 1.00 0.35 C ATOM 352 C GLU A 25 -1.781 3.556 -3.891 1.00 0.28 C ATOM 353 O GLU A 25 -1.934 4.281 -2.912 1.00 0.28 O ATOM 354 CB GLU A 25 0.328 2.136 -3.940 1.00 0.37 C ATOM 355 CG GLU A 25 1.032 1.491 -2.739 1.00 0.49 C ATOM 356 CD GLU A 25 0.461 0.123 -2.393 1.00 1.21 C ATOM 357 OE1 GLU A 25 0.455 -0.730 -3.302 1.00 2.14 O ATOM 358 OE2 GLU A 25 0.058 -0.039 -1.222 1.00 2.29 O ATOM 0 H GLU A 25 -1.179 0.694 -5.237 1.00 0.35 H new ATOM 0 HA GLU A 25 -1.407 1.842 -2.713 1.00 0.35 H new ATOM 0 HB2 GLU A 25 0.574 1.587 -4.849 1.00 0.37 H new ATOM 0 HB3 GLU A 25 0.690 3.155 -4.075 1.00 0.37 H new ATOM 0 HG2 GLU A 25 2.096 1.393 -2.956 1.00 0.49 H new ATOM 0 HG3 GLU A 25 0.942 2.148 -1.874 1.00 0.49 H new ATOM 365 N LYS A 26 -2.096 3.971 -5.116 1.00 0.27 N ATOM 366 CA LYS A 26 -2.606 5.313 -5.360 1.00 0.28 C ATOM 367 C LYS A 26 -4.040 5.474 -4.841 1.00 0.29 C ATOM 368 O LYS A 26 -4.347 6.474 -4.196 1.00 0.38 O ATOM 369 CB LYS A 26 -2.437 5.691 -6.837 1.00 0.31 C ATOM 370 CG LYS A 26 -0.956 5.712 -7.257 1.00 0.52 C ATOM 371 CD LYS A 26 -0.175 6.923 -6.717 1.00 1.38 C ATOM 372 CE LYS A 26 1.323 6.822 -7.050 1.00 1.05 C ATOM 373 NZ LYS A 26 2.027 5.820 -6.222 1.00 1.85 N ATOM 0 H LYS A 26 -2.006 3.395 -5.953 1.00 0.27 H new ATOM 0 HA LYS A 26 -2.012 6.026 -4.788 1.00 0.28 H new ATOM 0 HB2 LYS A 26 -2.981 4.980 -7.459 1.00 0.31 H new ATOM 0 HB3 LYS A 26 -2.879 6.672 -7.014 1.00 0.31 H new ATOM 0 HG2 LYS A 26 -0.476 4.797 -6.909 1.00 0.52 H new ATOM 0 HG3 LYS A 26 -0.896 5.709 -8.345 1.00 0.52 H new ATOM 0 HD2 LYS A 26 -0.583 7.840 -7.143 1.00 1.38 H new ATOM 0 HD3 LYS A 26 -0.305 6.989 -5.637 1.00 1.38 H new ATOM 0 HE2 LYS A 26 1.440 6.564 -8.103 1.00 1.05 H new ATOM 0 HE3 LYS A 26 1.789 7.797 -6.907 1.00 1.05 H new ATOM 0 HZ1 LYS A 26 3.002 5.708 -6.566 1.00 1.85 H new ATOM 0 HZ2 LYS A 26 2.044 6.138 -5.232 1.00 1.85 H new ATOM 0 HZ3 LYS A 26 1.531 4.908 -6.284 1.00 1.85 H new ATOM 387 N GLY A 27 -4.925 4.502 -5.083 1.00 0.31 N ATOM 388 CA GLY A 27 -6.255 4.550 -4.477 1.00 0.37 C ATOM 389 C GLY A 27 -6.176 4.317 -2.969 1.00 0.38 C ATOM 390 O GLY A 27 -6.934 4.902 -2.202 1.00 0.51 O ATOM 0 H GLY A 27 -4.750 3.693 -5.679 1.00 0.31 H new ATOM 0 HA2 GLY A 27 -6.715 5.518 -4.676 1.00 0.37 H new ATOM 0 HA3 GLY A 27 -6.894 3.794 -4.933 1.00 0.37 H new ATOM 394 N LEU A 28 -5.231 3.496 -2.520 1.00 0.42 N ATOM 395 CA LEU A 28 -4.953 3.297 -1.107 1.00 0.49 C ATOM 396 C LEU A 28 -4.645 4.662 -0.494 1.00 0.52 C ATOM 397 O LEU A 28 -5.266 5.051 0.489 1.00 0.64 O ATOM 398 CB LEU A 28 -3.846 2.252 -0.967 1.00 0.51 C ATOM 399 CG LEU A 28 -3.515 1.861 0.473 1.00 0.47 C ATOM 400 CD1 LEU A 28 -3.114 0.387 0.479 1.00 2.00 C ATOM 401 CD2 LEU A 28 -2.393 2.759 1.000 1.00 1.66 C ATOM 0 H LEU A 28 -4.632 2.946 -3.136 1.00 0.42 H new ATOM 0 HA LEU A 28 -5.802 2.896 -0.553 1.00 0.49 H new ATOM 0 HB2 LEU A 28 -4.140 1.356 -1.514 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -2.942 2.634 -1.442 1.00 0.51 H new ATOM 0 HG LEU A 28 -4.375 1.996 1.129 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -2.872 0.080 1.496 1.00 2.00 H new ATOM 0 HD12 LEU A 28 -3.941 -0.217 0.105 1.00 2.00 H new ATOM 0 HD13 LEU A 28 -2.243 0.244 -0.160 1.00 2.00 H new ATOM 0 HD21 LEU A 28 -2.156 2.481 2.027 1.00 1.66 H new ATOM 0 HD22 LEU A 28 -1.507 2.637 0.378 1.00 1.66 H new ATOM 0 HD23 LEU A 28 -2.716 3.800 0.971 1.00 1.66 H new ATOM 413 N LYS A 29 -3.765 5.439 -1.130 1.00 0.47 N ATOM 414 CA LYS A 29 -3.428 6.794 -0.714 1.00 0.52 C ATOM 415 C LYS A 29 -4.650 7.714 -0.583 1.00 0.50 C ATOM 416 O LYS A 29 -4.539 8.773 0.031 1.00 0.58 O ATOM 417 CB LYS A 29 -2.411 7.410 -1.686 1.00 0.54 C ATOM 418 CG LYS A 29 -1.609 8.558 -1.048 1.00 0.75 C ATOM 419 CD LYS A 29 -1.491 9.798 -1.954 1.00 0.83 C ATOM 420 CE LYS A 29 -2.069 11.052 -1.284 1.00 2.26 C ATOM 421 NZ LYS A 29 -3.521 10.968 -1.032 1.00 3.61 N ATOM 0 H LYS A 29 -3.260 5.135 -1.963 1.00 0.47 H new ATOM 0 HA LYS A 29 -2.992 6.710 0.281 1.00 0.52 H new ATOM 0 HB2 LYS A 29 -1.723 6.636 -2.027 1.00 0.54 H new ATOM 0 HB3 LYS A 29 -2.934 7.782 -2.567 1.00 0.54 H new ATOM 0 HG2 LYS A 29 -2.084 8.846 -0.110 1.00 0.75 H new ATOM 0 HG3 LYS A 29 -0.609 8.200 -0.802 1.00 0.75 H new ATOM 0 HD2 LYS A 29 -0.443 9.969 -2.202 1.00 0.83 H new ATOM 0 HD3 LYS A 29 -2.014 9.614 -2.892 1.00 0.83 H new ATOM 0 HE2 LYS A 29 -1.553 11.220 -0.339 1.00 2.26 H new ATOM 0 HE3 LYS A 29 -1.867 11.917 -1.915 1.00 2.26 H new ATOM 0 HZ1 LYS A 29 -3.819 11.774 -0.446 1.00 3.61 H new ATOM 0 HZ2 LYS A 29 -4.032 10.991 -1.937 1.00 3.61 H new ATOM 0 HZ3 LYS A 29 -3.736 10.080 -0.535 1.00 3.61 H new ATOM 435 N ARG A 30 -5.792 7.389 -1.197 1.00 0.50 N ATOM 436 CA ARG A 30 -7.000 8.195 -1.071 1.00 0.50 C ATOM 437 C ARG A 30 -7.717 7.966 0.271 1.00 0.52 C ATOM 438 O ARG A 30 -8.688 8.665 0.551 1.00 0.55 O ATOM 439 CB ARG A 30 -7.909 7.979 -2.296 1.00 0.50 C ATOM 440 CG ARG A 30 -7.446 8.845 -3.474 1.00 0.88 C ATOM 441 CD ARG A 30 -8.312 8.573 -4.709 1.00 2.07 C ATOM 442 NE ARG A 30 -7.996 9.511 -5.797 1.00 2.57 N ATOM 443 CZ ARG A 30 -8.535 9.469 -7.027 1.00 3.71 C ATOM 444 NH1 ARG A 30 -9.400 8.498 -7.339 1.00 4.83 N ATOM 445 NH2 ARG A 30 -8.210 10.396 -7.935 1.00 4.12 N ATOM 0 H ARG A 30 -5.900 6.566 -1.790 1.00 0.50 H new ATOM 0 HA ARG A 30 -6.716 9.247 -1.059 1.00 0.50 H new ATOM 0 HB2 ARG A 30 -7.896 6.928 -2.584 1.00 0.50 H new ATOM 0 HB3 ARG A 30 -8.939 8.226 -2.039 1.00 0.50 H new ATOM 0 HG2 ARG A 30 -7.506 9.899 -3.204 1.00 0.88 H new ATOM 0 HG3 ARG A 30 -6.401 8.633 -3.701 1.00 0.88 H new ATOM 0 HD2 ARG A 30 -8.153 7.550 -5.050 1.00 2.07 H new ATOM 0 HD3 ARG A 30 -9.366 8.661 -4.444 1.00 2.07 H new ATOM 0 HE ARG A 30 -7.318 10.248 -5.603 1.00 2.57 H new ATOM 0 HH11 ARG A 30 -9.648 7.793 -6.644 1.00 4.83 H new ATOM 0 HH12 ARG A 30 -9.812 8.462 -8.271 1.00 4.83 H new ATOM 0 HH21 ARG A 30 -7.552 11.137 -7.694 1.00 4.12 H new ATOM 0 HH22 ARG A 30 -8.621 10.362 -8.868 1.00 4.12 H new ATOM 459 N MET A 31 -7.258 7.033 1.115 1.00 0.51 N ATOM 460 CA MET A 31 -7.813 6.876 2.456 1.00 0.47 C ATOM 461 C MET A 31 -7.412 8.043 3.367 1.00 0.39 C ATOM 462 O MET A 31 -6.356 8.640 3.155 1.00 0.40 O ATOM 463 CB MET A 31 -7.356 5.541 3.060 1.00 0.55 C ATOM 464 CG MET A 31 -5.893 5.526 3.531 1.00 2.12 C ATOM 465 SD MET A 31 -5.312 3.962 4.227 1.00 3.81 S ATOM 466 CE MET A 31 -6.074 2.806 3.095 1.00 3.57 C ATOM 0 H MET A 31 -6.507 6.380 0.890 1.00 0.51 H new ATOM 0 HA MET A 31 -8.900 6.878 2.376 1.00 0.47 H new ATOM 0 HB2 MET A 31 -8.000 5.299 3.906 1.00 0.55 H new ATOM 0 HB3 MET A 31 -7.495 4.754 2.319 1.00 0.55 H new ATOM 0 HG2 MET A 31 -5.255 5.786 2.686 1.00 2.12 H new ATOM 0 HG3 MET A 31 -5.763 6.307 4.280 1.00 2.12 H new ATOM 0 HE1 MET A 31 -5.533 1.860 3.121 1.00 3.57 H new ATOM 0 HE2 MET A 31 -7.110 2.639 3.388 1.00 3.57 H new ATOM 0 HE3 MET A 31 -6.044 3.213 2.084 1.00 3.57 H new ATOM 476 N PRO A 32 -8.192 8.329 4.422 1.00 0.43 N ATOM 477 CA PRO A 32 -7.722 9.162 5.519 1.00 0.39 C ATOM 478 C PRO A 32 -6.474 8.516 6.140 1.00 0.42 C ATOM 479 O PRO A 32 -6.445 7.304 6.350 1.00 0.59 O ATOM 480 CB PRO A 32 -8.903 9.241 6.495 1.00 0.49 C ATOM 481 CG PRO A 32 -9.673 7.949 6.240 1.00 0.56 C ATOM 482 CD PRO A 32 -9.486 7.740 4.739 1.00 0.55 C ATOM 0 HA PRO A 32 -7.423 10.165 5.214 1.00 0.39 H new ATOM 0 HB2 PRO A 32 -8.564 9.307 7.529 1.00 0.49 H new ATOM 0 HB3 PRO A 32 -9.521 10.119 6.305 1.00 0.49 H new ATOM 0 HG2 PRO A 32 -9.271 7.117 6.818 1.00 0.56 H new ATOM 0 HG3 PRO A 32 -10.725 8.045 6.508 1.00 0.56 H new ATOM 0 HD2 PRO A 32 -9.508 6.680 4.485 1.00 0.55 H new ATOM 0 HD3 PRO A 32 -10.285 8.220 4.173 1.00 0.55 H new ATOM 490 N GLY A 33 -5.422 9.308 6.370 1.00 0.46 N ATOM 491 CA GLY A 33 -4.239 8.879 7.106 1.00 0.50 C ATOM 492 C GLY A 33 -3.006 8.693 6.219 1.00 0.41 C ATOM 493 O GLY A 33 -1.891 8.962 6.668 1.00 0.48 O ATOM 0 H GLY A 33 -5.372 10.274 6.045 1.00 0.46 H new ATOM 0 HA2 GLY A 33 -4.014 9.614 7.878 1.00 0.50 H new ATOM 0 HA3 GLY A 33 -4.457 7.940 7.614 1.00 0.50 H new ATOM 497 N VAL A 34 -3.179 8.226 4.975 1.00 0.41 N ATOM 498 CA VAL A 34 -2.056 8.045 4.056 1.00 0.35 C ATOM 499 C VAL A 34 -1.813 9.325 3.257 1.00 0.37 C ATOM 500 O VAL A 34 -2.728 9.857 2.628 1.00 0.61 O ATOM 501 CB VAL A 34 -2.276 6.835 3.140 1.00 0.42 C ATOM 502 CG1 VAL A 34 -1.073 6.653 2.205 1.00 0.36 C ATOM 503 CG2 VAL A 34 -2.435 5.547 3.954 1.00 0.62 C ATOM 0 H VAL A 34 -4.086 7.968 4.586 1.00 0.41 H new ATOM 0 HA VAL A 34 -1.160 7.840 4.642 1.00 0.35 H new ATOM 0 HB VAL A 34 -3.184 7.023 2.567 1.00 0.42 H new ATOM 0 HG11 VAL A 34 -1.241 5.791 1.560 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -0.950 7.546 1.593 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.172 6.492 2.798 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.590 4.706 3.278 1.00 0.62 H new ATOM 0 HG22 VAL A 34 -1.535 5.377 4.545 1.00 0.62 H new ATOM 0 HG23 VAL A 34 -3.294 5.640 4.619 1.00 0.62 H new ATOM 513 N THR A 35 -0.564 9.797 3.248 1.00 0.28 N ATOM 514 CA THR A 35 -0.185 11.059 2.631 1.00 0.30 C ATOM 515 C THR A 35 0.675 10.847 1.388 1.00 0.42 C ATOM 516 O THR A 35 0.586 11.653 0.464 1.00 0.72 O ATOM 517 CB THR A 35 0.462 11.954 3.680 1.00 0.39 C ATOM 518 OG1 THR A 35 -0.518 12.332 4.626 1.00 1.06 O ATOM 519 CG2 THR A 35 1.111 13.206 3.094 1.00 0.85 C ATOM 0 H THR A 35 0.219 9.303 3.676 1.00 0.28 H new ATOM 0 HA THR A 35 -1.075 11.571 2.266 1.00 0.30 H new ATOM 0 HB THR A 35 1.262 11.378 4.145 1.00 0.39 H new ATOM 0 HG1 THR A 35 -0.111 12.907 5.307 1.00 1.06 H new ATOM 0 HG21 THR A 35 1.552 13.797 3.897 1.00 0.85 H new ATOM 0 HG22 THR A 35 1.889 12.916 2.388 1.00 0.85 H new ATOM 0 HG23 THR A 35 0.356 13.800 2.579 1.00 0.85 H new ATOM 527 N ASP A 36 1.445 9.757 1.310 1.00 0.31 N ATOM 528 CA ASP A 36 2.025 9.330 0.048 1.00 0.33 C ATOM 529 C ASP A 36 2.129 7.818 -0.029 1.00 0.24 C ATOM 530 O ASP A 36 1.979 7.130 0.979 1.00 0.22 O ATOM 531 CB ASP A 36 3.362 10.019 -0.253 1.00 0.49 C ATOM 532 CG ASP A 36 3.364 10.485 -1.699 1.00 0.94 C ATOM 533 OD1 ASP A 36 2.958 9.644 -2.538 1.00 2.34 O ATOM 534 OD2 ASP A 36 3.735 11.653 -1.932 1.00 1.77 O ATOM 0 H ASP A 36 1.676 9.162 2.106 1.00 0.31 H new ATOM 0 HA ASP A 36 1.341 9.650 -0.738 1.00 0.33 H new ATOM 0 HB2 ASP A 36 3.507 10.867 0.416 1.00 0.49 H new ATOM 0 HB3 ASP A 36 4.188 9.330 -0.078 1.00 0.49 H new ATOM 539 N ALA A 37 2.332 7.299 -1.237 1.00 0.27 N ATOM 540 CA ALA A 37 2.376 5.857 -1.464 1.00 0.28 C ATOM 541 C ALA A 37 3.163 5.485 -2.718 1.00 0.31 C ATOM 542 O ALA A 37 2.962 6.089 -3.775 1.00 0.42 O ATOM 543 CB ALA A 37 0.949 5.312 -1.519 1.00 0.43 C ATOM 0 H ALA A 37 2.469 7.859 -2.078 1.00 0.27 H new ATOM 0 HA ALA A 37 2.908 5.398 -0.631 1.00 0.28 H new ATOM 0 HB1 ALA A 37 0.977 4.236 -1.688 1.00 0.43 H new ATOM 0 HB2 ALA A 37 0.444 5.518 -0.575 1.00 0.43 H new ATOM 0 HB3 ALA A 37 0.407 5.793 -2.333 1.00 0.43 H new ATOM 549 N ASN A 38 4.051 4.484 -2.624 1.00 0.25 N ATOM 550 CA ASN A 38 5.104 4.253 -3.605 1.00 0.28 C ATOM 551 C ASN A 38 5.409 2.757 -3.637 1.00 0.26 C ATOM 552 O ASN A 38 5.871 2.193 -2.647 1.00 0.27 O ATOM 553 CB ASN A 38 6.397 5.037 -3.283 1.00 0.32 C ATOM 554 CG ASN A 38 6.414 5.828 -1.974 1.00 0.32 C ATOM 555 OD1 ASN A 38 6.641 7.032 -1.974 1.00 0.44 O ATOM 556 ND2 ASN A 38 6.197 5.165 -0.841 1.00 0.32 N ATOM 0 H ASN A 38 4.053 3.811 -1.857 1.00 0.25 H new ATOM 0 HA ASN A 38 4.751 4.607 -4.574 1.00 0.28 H new ATOM 0 HB2 ASN A 38 7.227 4.331 -3.264 1.00 0.32 H new ATOM 0 HB3 ASN A 38 6.587 5.731 -4.102 1.00 0.32 H new ATOM 0 HD21 ASN A 38 6.218 5.659 0.051 1.00 0.32 H new ATOM 0 HD22 ASN A 38 6.010 4.163 -0.865 1.00 0.32 H new ATOM 563 N VAL A 39 5.151 2.114 -4.775 1.00 0.33 N ATOM 564 CA VAL A 39 5.306 0.683 -4.937 1.00 0.28 C ATOM 565 C VAL A 39 6.698 0.365 -5.493 1.00 0.27 C ATOM 566 O VAL A 39 6.951 0.485 -6.690 1.00 0.53 O ATOM 567 CB VAL A 39 4.113 0.150 -5.749 1.00 0.32 C ATOM 568 CG1 VAL A 39 4.075 0.588 -7.221 1.00 0.46 C ATOM 569 CG2 VAL A 39 4.012 -1.371 -5.648 1.00 0.42 C ATOM 0 H VAL A 39 4.824 2.586 -5.618 1.00 0.33 H new ATOM 0 HA VAL A 39 5.274 0.153 -3.985 1.00 0.28 H new ATOM 0 HB VAL A 39 3.242 0.613 -5.286 1.00 0.32 H new ATOM 0 HG11 VAL A 39 3.197 0.160 -7.705 1.00 0.46 H new ATOM 0 HG12 VAL A 39 4.026 1.676 -7.276 1.00 0.46 H new ATOM 0 HG13 VAL A 39 4.975 0.239 -7.728 1.00 0.46 H new ATOM 0 HG21 VAL A 39 3.160 -1.719 -6.232 1.00 0.42 H new ATOM 0 HG22 VAL A 39 4.925 -1.823 -6.035 1.00 0.42 H new ATOM 0 HG23 VAL A 39 3.879 -1.658 -4.605 1.00 0.42 H new ATOM 579 N ASN A 40 7.630 -0.044 -4.630 1.00 0.36 N ATOM 580 CA ASN A 40 8.994 -0.358 -5.038 1.00 0.34 C ATOM 581 C ASN A 40 9.047 -1.799 -5.563 1.00 0.31 C ATOM 582 O ASN A 40 9.805 -2.653 -5.091 1.00 0.30 O ATOM 583 CB ASN A 40 9.936 -0.113 -3.853 1.00 0.35 C ATOM 584 CG ASN A 40 11.404 -0.154 -4.265 1.00 0.41 C ATOM 585 OD1 ASN A 40 11.739 -0.401 -5.419 1.00 0.54 O ATOM 586 ND2 ASN A 40 12.301 0.106 -3.319 1.00 0.63 N ATOM 0 H ASN A 40 7.458 -0.166 -3.632 1.00 0.36 H new ATOM 0 HA ASN A 40 9.323 0.288 -5.852 1.00 0.34 H new ATOM 0 HB2 ASN A 40 9.712 0.857 -3.408 1.00 0.35 H new ATOM 0 HB3 ASN A 40 9.755 -0.865 -3.086 1.00 0.35 H new ATOM 0 HD21 ASN A 40 13.296 0.103 -3.545 1.00 0.63 H new ATOM 0 HD22 ASN A 40 11.995 0.308 -2.367 1.00 0.63 H new ATOM 593 N LEU A 41 8.221 -2.058 -6.581 1.00 0.33 N ATOM 594 CA LEU A 41 8.047 -3.380 -7.169 1.00 0.35 C ATOM 595 C LEU A 41 9.306 -3.785 -7.937 1.00 0.38 C ATOM 596 O LEU A 41 9.562 -4.972 -8.124 1.00 0.46 O ATOM 597 CB LEU A 41 6.768 -3.409 -8.029 1.00 0.41 C ATOM 598 CG LEU A 41 5.748 -4.503 -7.656 1.00 0.43 C ATOM 599 CD1 LEU A 41 6.147 -5.869 -8.222 1.00 0.74 C ATOM 600 CD2 LEU A 41 5.478 -4.630 -6.149 1.00 0.92 C ATOM 0 H LEU A 41 7.647 -1.340 -7.023 1.00 0.33 H new ATOM 0 HA LEU A 41 7.912 -4.125 -6.385 1.00 0.35 H new ATOM 0 HB2 LEU A 41 6.278 -2.438 -7.955 1.00 0.41 H new ATOM 0 HB3 LEU A 41 7.054 -3.543 -9.072 1.00 0.41 H new ATOM 0 HG LEU A 41 4.817 -4.173 -8.117 1.00 0.43 H new ATOM 0 HD11 LEU A 41 5.403 -6.612 -7.937 1.00 0.74 H new ATOM 0 HD12 LEU A 41 6.203 -5.810 -9.309 1.00 0.74 H new ATOM 0 HD13 LEU A 41 7.120 -6.158 -7.823 1.00 0.74 H new ATOM 0 HD21 LEU A 41 4.750 -5.422 -5.975 1.00 0.92 H new ATOM 0 HD22 LEU A 41 6.407 -4.871 -5.632 1.00 0.92 H new ATOM 0 HD23 LEU A 41 5.086 -3.687 -5.769 1.00 0.92 H new ATOM 612 N ALA A 42 10.139 -2.803 -8.301 1.00 0.39 N ATOM 613 CA ALA A 42 11.501 -3.025 -8.769 1.00 0.46 C ATOM 614 C ALA A 42 12.263 -4.004 -7.874 1.00 0.48 C ATOM 615 O ALA A 42 13.074 -4.773 -8.383 1.00 0.60 O ATOM 616 CB ALA A 42 12.252 -1.694 -8.813 1.00 0.45 C ATOM 0 H ALA A 42 9.876 -1.818 -8.276 1.00 0.39 H new ATOM 0 HA ALA A 42 11.439 -3.460 -9.766 1.00 0.46 H new ATOM 0 HB1 ALA A 42 13.270 -1.862 -9.163 1.00 0.45 H new ATOM 0 HB2 ALA A 42 11.743 -1.011 -9.493 1.00 0.45 H new ATOM 0 HB3 ALA A 42 12.279 -1.258 -7.814 1.00 0.45 H new ATOM 622 N THR A 43 12.018 -3.969 -6.557 1.00 0.44 N ATOM 623 CA THR A 43 12.579 -4.942 -5.623 1.00 0.57 C ATOM 624 C THR A 43 11.440 -5.652 -4.874 1.00 0.69 C ATOM 625 O THR A 43 11.534 -5.935 -3.682 1.00 1.33 O ATOM 626 CB THR A 43 13.645 -4.261 -4.749 1.00 0.60 C ATOM 627 OG1 THR A 43 14.474 -5.211 -4.110 1.00 0.75 O ATOM 628 CG2 THR A 43 13.079 -3.289 -3.711 1.00 0.66 C ATOM 0 H THR A 43 11.426 -3.266 -6.115 1.00 0.44 H new ATOM 0 HA THR A 43 13.112 -5.741 -6.137 1.00 0.57 H new ATOM 0 HB THR A 43 14.236 -3.666 -5.445 1.00 0.60 H new ATOM 0 HG1 THR A 43 13.918 -5.870 -3.645 1.00 0.75 H new ATOM 0 HG21 THR A 43 13.897 -2.853 -3.137 1.00 0.66 H new ATOM 0 HG22 THR A 43 12.527 -2.497 -4.217 1.00 0.66 H new ATOM 0 HG23 THR A 43 12.409 -3.825 -3.038 1.00 0.66 H new ATOM 636 N GLU A 44 10.339 -5.917 -5.589 1.00 0.31 N ATOM 637 CA GLU A 44 9.136 -6.594 -5.117 1.00 0.33 C ATOM 638 C GLU A 44 8.706 -6.166 -3.707 1.00 0.37 C ATOM 639 O GLU A 44 8.264 -6.996 -2.916 1.00 0.61 O ATOM 640 CB GLU A 44 9.327 -8.112 -5.234 1.00 0.39 C ATOM 641 CG GLU A 44 9.425 -8.542 -6.704 1.00 0.81 C ATOM 642 CD GLU A 44 9.344 -10.056 -6.841 1.00 1.50 C ATOM 643 OE1 GLU A 44 8.217 -10.572 -6.676 1.00 2.64 O ATOM 644 OE2 GLU A 44 10.401 -10.665 -7.107 1.00 2.47 O ATOM 0 H GLU A 44 10.265 -5.646 -6.570 1.00 0.31 H new ATOM 0 HA GLU A 44 8.309 -6.289 -5.758 1.00 0.33 H new ATOM 0 HB2 GLU A 44 10.231 -8.410 -4.703 1.00 0.39 H new ATOM 0 HB3 GLU A 44 8.492 -8.625 -4.756 1.00 0.39 H new ATOM 0 HG2 GLU A 44 8.621 -8.079 -7.276 1.00 0.81 H new ATOM 0 HG3 GLU A 44 10.364 -8.185 -7.128 1.00 0.81 H new ATOM 651 N THR A 45 8.811 -4.871 -3.401 1.00 0.26 N ATOM 652 CA THR A 45 8.476 -4.290 -2.112 1.00 0.24 C ATOM 653 C THR A 45 7.450 -3.179 -2.350 1.00 0.20 C ATOM 654 O THR A 45 7.339 -2.668 -3.464 1.00 0.25 O ATOM 655 CB THR A 45 9.781 -3.753 -1.505 1.00 0.31 C ATOM 656 OG1 THR A 45 10.698 -4.808 -1.302 1.00 0.68 O ATOM 657 CG2 THR A 45 9.569 -3.071 -0.156 1.00 0.56 C ATOM 0 H THR A 45 9.144 -4.179 -4.072 1.00 0.26 H new ATOM 0 HA THR A 45 8.039 -5.011 -1.421 1.00 0.24 H new ATOM 0 HB THR A 45 10.163 -3.021 -2.217 1.00 0.31 H new ATOM 0 HG1 THR A 45 10.905 -5.231 -2.161 1.00 0.68 H new ATOM 0 HG21 THR A 45 10.525 -2.712 0.224 1.00 0.56 H new ATOM 0 HG22 THR A 45 8.887 -2.229 -0.277 1.00 0.56 H new ATOM 0 HG23 THR A 45 9.143 -3.784 0.549 1.00 0.56 H new ATOM 665 N VAL A 46 6.706 -2.772 -1.324 1.00 0.20 N ATOM 666 CA VAL A 46 5.856 -1.592 -1.384 1.00 0.20 C ATOM 667 C VAL A 46 6.117 -0.720 -0.162 1.00 0.17 C ATOM 668 O VAL A 46 6.447 -1.256 0.897 1.00 0.18 O ATOM 669 CB VAL A 46 4.392 -2.016 -1.538 1.00 0.26 C ATOM 670 CG1 VAL A 46 3.904 -2.945 -0.423 1.00 0.30 C ATOM 671 CG2 VAL A 46 3.462 -0.812 -1.591 1.00 0.43 C ATOM 0 H VAL A 46 6.678 -3.255 -0.426 1.00 0.20 H new ATOM 0 HA VAL A 46 6.092 -0.985 -2.258 1.00 0.20 H new ATOM 0 HB VAL A 46 4.361 -2.563 -2.480 1.00 0.26 H new ATOM 0 HG11 VAL A 46 2.860 -3.204 -0.597 1.00 0.30 H new ATOM 0 HG12 VAL A 46 4.507 -3.853 -0.416 1.00 0.30 H new ATOM 0 HG13 VAL A 46 3.997 -2.440 0.538 1.00 0.30 H new ATOM 0 HG21 VAL A 46 2.432 -1.152 -1.701 1.00 0.43 H new ATOM 0 HG22 VAL A 46 3.558 -0.237 -0.670 1.00 0.43 H new ATOM 0 HG23 VAL A 46 3.729 -0.183 -2.441 1.00 0.43 H new ATOM 681 N ASN A 47 6.010 0.608 -0.324 1.00 0.17 N ATOM 682 CA ASN A 47 6.233 1.578 0.734 1.00 0.18 C ATOM 683 C ASN A 47 5.037 2.513 0.782 1.00 0.19 C ATOM 684 O ASN A 47 4.562 2.942 -0.272 1.00 0.28 O ATOM 685 CB ASN A 47 7.500 2.399 0.459 1.00 0.20 C ATOM 686 CG ASN A 47 8.782 1.693 0.874 1.00 0.25 C ATOM 687 OD1 ASN A 47 9.588 1.300 0.035 1.00 0.30 O ATOM 688 ND2 ASN A 47 9.003 1.573 2.178 1.00 0.31 N ATOM 0 H ASN A 47 5.761 1.036 -1.216 1.00 0.17 H new ATOM 0 HA ASN A 47 6.358 1.055 1.682 1.00 0.18 H new ATOM 0 HB2 ASN A 47 7.550 2.630 -0.605 1.00 0.20 H new ATOM 0 HB3 ASN A 47 7.430 3.349 0.989 1.00 0.20 H new ATOM 0 HD21 ASN A 47 9.865 1.143 2.512 1.00 0.31 H new ATOM 0 HD22 ASN A 47 8.310 1.911 2.846 1.00 0.31 H new ATOM 695 N VAL A 48 4.571 2.868 1.981 1.00 0.18 N ATOM 696 CA VAL A 48 3.427 3.745 2.153 1.00 0.20 C ATOM 697 C VAL A 48 3.815 4.746 3.232 1.00 0.20 C ATOM 698 O VAL A 48 4.340 4.351 4.277 1.00 0.21 O ATOM 699 CB VAL A 48 2.152 2.948 2.480 1.00 0.27 C ATOM 700 CG1 VAL A 48 0.944 3.892 2.510 1.00 2.15 C ATOM 701 CG2 VAL A 48 1.874 1.884 1.409 1.00 1.84 C ATOM 0 H VAL A 48 4.983 2.551 2.859 1.00 0.18 H new ATOM 0 HA VAL A 48 3.182 4.277 1.234 1.00 0.20 H new ATOM 0 HB VAL A 48 2.304 2.470 3.447 1.00 0.27 H new ATOM 0 HG11 VAL A 48 0.043 3.323 2.742 1.00 2.15 H new ATOM 0 HG12 VAL A 48 1.098 4.655 3.273 1.00 2.15 H new ATOM 0 HG13 VAL A 48 0.831 4.369 1.537 1.00 2.15 H new ATOM 0 HG21 VAL A 48 0.967 1.337 1.667 1.00 1.84 H new ATOM 0 HG22 VAL A 48 1.743 2.368 0.441 1.00 1.84 H new ATOM 0 HG23 VAL A 48 2.714 1.191 1.358 1.00 1.84 H new ATOM 711 N ILE A 49 3.619 6.029 2.923 1.00 0.21 N ATOM 712 CA ILE A 49 4.031 7.159 3.728 1.00 0.22 C ATOM 713 C ILE A 49 2.771 7.706 4.404 1.00 0.21 C ATOM 714 O ILE A 49 1.967 8.406 3.775 1.00 0.22 O ATOM 715 CB ILE A 49 4.709 8.228 2.843 1.00 0.27 C ATOM 716 CG1 ILE A 49 5.669 7.665 1.776 1.00 0.41 C ATOM 717 CG2 ILE A 49 5.412 9.266 3.727 1.00 0.33 C ATOM 718 CD1 ILE A 49 6.804 6.803 2.331 1.00 0.31 C ATOM 0 H ILE A 49 3.147 6.311 2.064 1.00 0.21 H new ATOM 0 HA ILE A 49 4.763 6.865 4.480 1.00 0.22 H new ATOM 0 HB ILE A 49 3.909 8.702 2.274 1.00 0.27 H new ATOM 0 HG12 ILE A 49 5.094 7.071 1.066 1.00 0.41 H new ATOM 0 HG13 ILE A 49 6.101 8.497 1.220 1.00 0.41 H new ATOM 0 HG21 ILE A 49 5.888 10.017 3.097 1.00 0.33 H new ATOM 0 HG22 ILE A 49 4.680 9.747 4.375 1.00 0.33 H new ATOM 0 HG23 ILE A 49 6.168 8.772 4.337 1.00 0.33 H new ATOM 0 HD11 ILE A 49 7.428 6.451 1.510 1.00 0.31 H new ATOM 0 HD12 ILE A 49 7.408 7.395 3.018 1.00 0.31 H new ATOM 0 HD13 ILE A 49 6.385 5.948 2.861 1.00 0.31 H new ATOM 730 N TYR A 50 2.552 7.358 5.672 1.00 0.26 N ATOM 731 CA TYR A 50 1.292 7.654 6.343 1.00 0.25 C ATOM 732 C TYR A 50 1.514 8.133 7.757 1.00 0.25 C ATOM 733 O TYR A 50 2.626 8.032 8.269 1.00 0.28 O ATOM 734 CB TYR A 50 0.383 6.429 6.314 1.00 0.26 C ATOM 735 CG TYR A 50 0.856 5.200 7.066 1.00 0.28 C ATOM 736 CD1 TYR A 50 0.490 5.024 8.412 1.00 1.88 C ATOM 737 CD2 TYR A 50 1.462 4.137 6.373 1.00 2.00 C ATOM 738 CE1 TYR A 50 0.642 3.772 9.025 1.00 1.82 C ATOM 739 CE2 TYR A 50 1.522 2.861 6.959 1.00 2.06 C ATOM 740 CZ TYR A 50 1.041 2.665 8.265 1.00 0.37 C ATOM 741 OH TYR A 50 0.909 1.404 8.777 1.00 0.57 O ATOM 0 H TYR A 50 3.233 6.870 6.253 1.00 0.26 H new ATOM 0 HA TYR A 50 0.802 8.465 5.804 1.00 0.25 H new ATOM 0 HB2 TYR A 50 -0.588 6.719 6.716 1.00 0.26 H new ATOM 0 HB3 TYR A 50 0.226 6.149 5.272 1.00 0.26 H new ATOM 0 HD1 TYR A 50 0.091 5.855 8.975 1.00 1.88 H new ATOM 0 HD2 TYR A 50 1.881 4.301 5.391 1.00 2.00 H new ATOM 0 HE1 TYR A 50 0.452 3.661 10.082 1.00 1.82 H new ATOM 0 HE2 TYR A 50 1.937 2.032 6.406 1.00 2.06 H new ATOM 0 HH TYR A 50 1.231 0.750 8.122 1.00 0.57 H new ATOM 751 N ASP A 51 0.454 8.670 8.358 1.00 0.27 N ATOM 752 CA ASP A 51 0.466 9.085 9.757 1.00 0.29 C ATOM 753 C ASP A 51 0.081 7.899 10.650 1.00 0.28 C ATOM 754 O ASP A 51 -1.089 7.502 10.649 1.00 0.33 O ATOM 755 CB ASP A 51 -0.476 10.273 9.977 1.00 0.40 C ATOM 756 CG ASP A 51 -0.657 10.606 11.457 1.00 1.84 C ATOM 757 OD1 ASP A 51 0.091 10.046 12.290 1.00 3.04 O ATOM 758 OD2 ASP A 51 -1.558 11.421 11.747 1.00 3.00 O ATOM 0 H ASP A 51 -0.437 8.829 7.888 1.00 0.27 H new ATOM 0 HA ASP A 51 1.471 9.410 10.025 1.00 0.29 H new ATOM 0 HB2 ASP A 51 -0.083 11.146 9.456 1.00 0.40 H new ATOM 0 HB3 ASP A 51 -1.447 10.049 9.536 1.00 0.40 H new ATOM 763 N PRO A 52 1.024 7.331 11.424 1.00 0.33 N ATOM 764 CA PRO A 52 0.763 6.171 12.256 1.00 0.39 C ATOM 765 C PRO A 52 -0.055 6.506 13.512 1.00 0.47 C ATOM 766 O PRO A 52 -0.251 5.625 14.347 1.00 0.55 O ATOM 767 CB PRO A 52 2.143 5.610 12.603 1.00 0.48 C ATOM 768 CG PRO A 52 2.987 6.880 12.697 1.00 0.50 C ATOM 769 CD PRO A 52 2.408 7.754 11.583 1.00 0.41 C ATOM 0 HA PRO A 52 0.148 5.442 11.728 1.00 0.39 H new ATOM 0 HB2 PRO A 52 2.134 5.056 13.541 1.00 0.48 H new ATOM 0 HB3 PRO A 52 2.512 4.930 11.835 1.00 0.48 H new ATOM 0 HG2 PRO A 52 2.895 7.356 13.673 1.00 0.50 H new ATOM 0 HG3 PRO A 52 4.046 6.675 12.541 1.00 0.50 H new ATOM 0 HD2 PRO A 52 2.466 8.810 11.845 1.00 0.41 H new ATOM 0 HD3 PRO A 52 2.965 7.625 10.655 1.00 0.41 H new ATOM 777 N ALA A 53 -0.531 7.748 13.678 1.00 0.52 N ATOM 778 CA ALA A 53 -1.535 8.067 14.679 1.00 0.63 C ATOM 779 C ALA A 53 -2.924 7.813 14.099 1.00 0.57 C ATOM 780 O ALA A 53 -3.861 7.563 14.855 1.00 0.69 O ATOM 781 CB ALA A 53 -1.402 9.536 15.087 1.00 0.74 C ATOM 0 H ALA A 53 -0.228 8.548 13.122 1.00 0.52 H new ATOM 0 HA ALA A 53 -1.390 7.438 15.558 1.00 0.63 H new ATOM 0 HB1 ALA A 53 -2.155 9.775 15.838 1.00 0.74 H new ATOM 0 HB2 ALA A 53 -0.409 9.710 15.501 1.00 0.74 H new ATOM 0 HB3 ALA A 53 -1.547 10.171 14.213 1.00 0.74 H new ATOM 787 N GLU A 54 -3.056 7.926 12.771 1.00 0.45 N ATOM 788 CA GLU A 54 -4.335 7.953 12.083 1.00 0.45 C ATOM 789 C GLU A 54 -4.559 6.584 11.435 1.00 0.40 C ATOM 790 O GLU A 54 -5.498 5.864 11.767 1.00 0.51 O ATOM 791 CB GLU A 54 -4.333 9.140 11.101 1.00 0.56 C ATOM 792 CG GLU A 54 -5.672 9.892 11.017 1.00 0.67 C ATOM 793 CD GLU A 54 -6.599 9.334 9.950 1.00 2.01 C ATOM 794 OE1 GLU A 54 -7.159 8.245 10.188 1.00 3.46 O ATOM 795 OE2 GLU A 54 -6.728 10.017 8.912 1.00 2.89 O ATOM 0 H GLU A 54 -2.257 8.002 12.141 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.177 8.116 12.755 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -3.553 9.841 11.398 1.00 0.56 H new ATOM 0 HB3 GLU A 54 -4.071 8.775 10.108 1.00 0.56 H new ATOM 0 HG2 GLU A 54 -6.171 9.844 11.985 1.00 0.67 H new ATOM 0 HG3 GLU A 54 -5.479 10.944 10.809 1.00 0.67 H new ATOM 802 N THR A 55 -3.614 6.188 10.578 1.00 0.35 N ATOM 803 CA THR A 55 -3.415 4.811 10.151 1.00 0.36 C ATOM 804 C THR A 55 -2.378 4.085 10.993 1.00 0.35 C ATOM 805 O THR A 55 -1.966 4.556 12.046 1.00 0.41 O ATOM 806 CB THR A 55 -3.267 4.697 8.619 1.00 0.37 C ATOM 807 OG1 THR A 55 -2.613 5.835 8.105 1.00 0.43 O ATOM 808 CG2 THR A 55 -4.665 4.628 8.020 1.00 0.42 C ATOM 0 H THR A 55 -2.952 6.838 10.154 1.00 0.35 H new ATOM 0 HA THR A 55 -4.326 4.250 10.358 1.00 0.36 H new ATOM 0 HB THR A 55 -2.684 3.811 8.370 1.00 0.37 H new ATOM 0 HG1 THR A 55 -1.646 5.744 8.237 1.00 0.43 H new ATOM 0 HG21 THR A 55 -4.593 4.547 6.935 1.00 0.42 H new ATOM 0 HG22 THR A 55 -5.188 3.757 8.415 1.00 0.42 H new ATOM 0 HG23 THR A 55 -5.217 5.531 8.280 1.00 0.42 H new ATOM 816 N GLY A 56 -2.059 2.867 10.566 1.00 0.45 N ATOM 817 CA GLY A 56 -1.522 1.816 11.392 1.00 0.53 C ATOM 818 C GLY A 56 -2.207 0.569 10.857 1.00 0.93 C ATOM 819 O GLY A 56 -3.283 0.238 11.333 1.00 2.26 O ATOM 0 H GLY A 56 -2.176 2.584 9.593 1.00 0.45 H new ATOM 0 HA2 GLY A 56 -0.438 1.749 11.304 1.00 0.53 H new ATOM 0 HA3 GLY A 56 -1.747 1.978 12.446 1.00 0.53 H new ATOM 823 N THR A 57 -1.552 -0.076 9.885 1.00 0.51 N ATOM 824 CA THR A 57 -1.863 -0.901 8.705 1.00 0.67 C ATOM 825 C THR A 57 -3.277 -1.460 8.497 1.00 0.43 C ATOM 826 O THR A 57 -3.597 -1.877 7.384 1.00 0.43 O ATOM 827 CB THR A 57 -0.768 -1.977 8.516 1.00 1.42 C ATOM 828 OG1 THR A 57 -1.204 -3.144 7.843 1.00 3.02 O ATOM 829 CG2 THR A 57 -0.185 -2.379 9.862 1.00 0.98 C ATOM 0 H THR A 57 -0.535 -0.008 9.928 1.00 0.51 H new ATOM 0 HA THR A 57 -1.860 -0.163 7.903 1.00 0.67 H new ATOM 0 HB THR A 57 -0.015 -1.509 7.882 1.00 1.42 H new ATOM 0 HG1 THR A 57 -0.605 -3.889 8.059 1.00 3.02 H new ATOM 0 HG21 THR A 57 0.584 -3.137 9.714 1.00 0.98 H new ATOM 0 HG22 THR A 57 0.254 -1.505 10.344 1.00 0.98 H new ATOM 0 HG23 THR A 57 -0.975 -2.783 10.495 1.00 0.98 H new ATOM 837 N ALA A 58 -4.125 -1.430 9.510 1.00 0.47 N ATOM 838 CA ALA A 58 -5.566 -1.542 9.440 1.00 0.48 C ATOM 839 C ALA A 58 -6.182 -1.090 8.117 1.00 0.44 C ATOM 840 O ALA A 58 -6.815 -1.876 7.411 1.00 0.41 O ATOM 841 CB ALA A 58 -6.104 -0.689 10.592 1.00 0.57 C ATOM 0 H ALA A 58 -3.798 -1.319 10.470 1.00 0.47 H new ATOM 0 HA ALA A 58 -5.839 -2.595 9.514 1.00 0.48 H new ATOM 0 HB1 ALA A 58 -7.193 -0.730 10.597 1.00 0.57 H new ATOM 0 HB2 ALA A 58 -5.722 -1.073 11.538 1.00 0.57 H new ATOM 0 HB3 ALA A 58 -5.780 0.344 10.462 1.00 0.57 H new ATOM 847 N ALA A 59 -6.020 0.191 7.787 1.00 0.44 N ATOM 848 CA ALA A 59 -6.798 0.755 6.686 1.00 0.41 C ATOM 849 C ALA A 59 -6.223 0.256 5.369 1.00 0.36 C ATOM 850 O ALA A 59 -6.938 -0.099 4.433 1.00 0.35 O ATOM 851 CB ALA A 59 -6.813 2.274 6.764 1.00 0.49 C ATOM 0 H ALA A 59 -5.380 0.838 8.248 1.00 0.44 H new ATOM 0 HA ALA A 59 -7.835 0.427 6.756 1.00 0.41 H new ATOM 0 HB1 ALA A 59 -7.397 2.675 5.936 1.00 0.49 H new ATOM 0 HB2 ALA A 59 -7.260 2.585 7.708 1.00 0.49 H new ATOM 0 HB3 ALA A 59 -5.792 2.651 6.704 1.00 0.49 H new ATOM 857 N ILE A 60 -4.892 0.243 5.340 1.00 0.38 N ATOM 858 CA ILE A 60 -4.075 -0.355 4.311 1.00 0.35 C ATOM 859 C ILE A 60 -4.602 -1.729 3.945 1.00 0.32 C ATOM 860 O ILE A 60 -4.946 -1.919 2.788 1.00 0.32 O ATOM 861 CB ILE A 60 -2.612 -0.299 4.776 1.00 0.34 C ATOM 862 CG1 ILE A 60 -2.067 1.038 4.282 1.00 0.37 C ATOM 863 CG2 ILE A 60 -1.725 -1.446 4.286 1.00 0.40 C ATOM 864 CD1 ILE A 60 -0.956 1.595 5.175 1.00 1.51 C ATOM 0 H ILE A 60 -4.335 0.675 6.077 1.00 0.38 H new ATOM 0 HA ILE A 60 -4.122 0.197 3.372 1.00 0.35 H new ATOM 0 HB ILE A 60 -2.594 -0.402 5.861 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -1.685 0.917 3.268 1.00 0.37 H new ATOM 0 HG13 ILE A 60 -2.882 1.760 4.231 1.00 0.37 H new ATOM 0 HG21 ILE A 60 -0.713 -1.313 4.669 1.00 0.40 H new ATOM 0 HG22 ILE A 60 -2.126 -2.394 4.643 1.00 0.40 H new ATOM 0 HG23 ILE A 60 -1.703 -1.449 3.196 1.00 0.40 H new ATOM 0 HD11 ILE A 60 -0.609 2.547 4.773 1.00 1.51 H new ATOM 0 HD12 ILE A 60 -1.341 1.746 6.183 1.00 1.51 H new ATOM 0 HD13 ILE A 60 -0.126 0.889 5.206 1.00 1.51 H new ATOM 876 N GLN A 61 -4.720 -2.661 4.894 1.00 0.32 N ATOM 877 CA GLN A 61 -5.244 -3.987 4.581 1.00 0.33 C ATOM 878 C GLN A 61 -6.667 -3.888 3.998 1.00 0.34 C ATOM 879 O GLN A 61 -6.956 -4.510 2.977 1.00 0.36 O ATOM 880 CB GLN A 61 -5.171 -4.911 5.805 1.00 0.42 C ATOM 881 CG GLN A 61 -4.328 -6.187 5.599 1.00 0.52 C ATOM 882 CD GLN A 61 -3.043 -6.147 6.422 1.00 0.69 C ATOM 883 OE1 GLN A 61 -2.868 -6.924 7.354 1.00 1.18 O ATOM 884 NE2 GLN A 61 -2.150 -5.214 6.107 1.00 0.96 N ATOM 0 H GLN A 61 -4.463 -2.523 5.871 1.00 0.32 H new ATOM 0 HA GLN A 61 -4.616 -4.437 3.812 1.00 0.33 H new ATOM 0 HB2 GLN A 61 -4.757 -4.350 6.643 1.00 0.42 H new ATOM 0 HB3 GLN A 61 -6.184 -5.202 6.085 1.00 0.42 H new ATOM 0 HG2 GLN A 61 -4.915 -7.061 5.881 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -4.082 -6.295 4.543 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -2.326 -4.583 5.325 1.00 0.96 H new ATOM 0 HE22 GLN A 61 -1.289 -5.129 6.647 1.00 0.96 H new ATOM 893 N GLU A 62 -7.541 -3.088 4.627 1.00 0.38 N ATOM 894 CA GLU A 62 -8.922 -2.875 4.181 1.00 0.40 C ATOM 895 C GLU A 62 -8.971 -2.538 2.683 1.00 0.40 C ATOM 896 O GLU A 62 -9.642 -3.198 1.888 1.00 0.42 O ATOM 897 CB GLU A 62 -9.579 -1.770 5.043 1.00 0.42 C ATOM 898 CG GLU A 62 -11.086 -1.963 5.311 1.00 1.29 C ATOM 899 CD GLU A 62 -12.022 -1.716 4.135 1.00 2.61 C ATOM 900 OE1 GLU A 62 -11.916 -0.653 3.477 1.00 3.40 O ATOM 901 OE2 GLU A 62 -12.895 -2.586 3.925 1.00 3.40 O ATOM 0 H GLU A 62 -7.303 -2.565 5.470 1.00 0.38 H new ATOM 0 HA GLU A 62 -9.489 -3.796 4.314 1.00 0.40 H new ATOM 0 HB2 GLU A 62 -9.059 -1.719 5.999 1.00 0.42 H new ATOM 0 HB3 GLU A 62 -9.433 -0.810 4.549 1.00 0.42 H new ATOM 0 HG2 GLU A 62 -11.242 -2.983 5.663 1.00 1.29 H new ATOM 0 HG3 GLU A 62 -11.376 -1.297 6.124 1.00 1.29 H new ATOM 908 N LYS A 63 -8.235 -1.498 2.291 1.00 0.38 N ATOM 909 CA LYS A 63 -8.141 -1.042 0.927 1.00 0.41 C ATOM 910 C LYS A 63 -7.394 -2.026 0.039 1.00 0.35 C ATOM 911 O LYS A 63 -7.834 -2.252 -1.081 1.00 0.38 O ATOM 912 CB LYS A 63 -7.524 0.354 0.946 1.00 0.42 C ATOM 913 CG LYS A 63 -8.493 1.486 1.348 1.00 0.49 C ATOM 914 CD LYS A 63 -9.745 1.618 0.466 1.00 0.57 C ATOM 915 CE LYS A 63 -10.890 0.707 0.942 1.00 1.93 C ATOM 916 NZ LYS A 63 -11.871 1.359 1.827 1.00 3.09 N ATOM 0 H LYS A 63 -7.677 -0.943 2.940 1.00 0.38 H new ATOM 0 HA LYS A 63 -9.133 -0.984 0.479 1.00 0.41 H new ATOM 0 HB2 LYS A 63 -6.681 0.354 1.637 1.00 0.42 H new ATOM 0 HB3 LYS A 63 -7.124 0.572 -0.044 1.00 0.42 H new ATOM 0 HG2 LYS A 63 -8.809 1.323 2.378 1.00 0.49 H new ATOM 0 HG3 LYS A 63 -7.951 2.432 1.326 1.00 0.49 H new ATOM 0 HD2 LYS A 63 -10.082 2.655 0.470 1.00 0.57 H new ATOM 0 HD3 LYS A 63 -9.490 1.369 -0.564 1.00 0.57 H new ATOM 0 HE2 LYS A 63 -11.413 0.317 0.068 1.00 1.93 H new ATOM 0 HE3 LYS A 63 -10.462 -0.148 1.465 1.00 1.93 H new ATOM 0 HZ1 LYS A 63 -12.196 0.680 2.545 1.00 3.09 H new ATOM 0 HZ2 LYS A 63 -11.427 2.174 2.296 1.00 3.09 H new ATOM 0 HZ3 LYS A 63 -12.684 1.684 1.265 1.00 3.09 H new ATOM 930 N ILE A 64 -6.304 -2.621 0.516 1.00 0.29 N ATOM 931 CA ILE A 64 -5.556 -3.638 -0.198 1.00 0.24 C ATOM 932 C ILE A 64 -6.550 -4.694 -0.719 1.00 0.25 C ATOM 933 O ILE A 64 -6.613 -4.972 -1.919 1.00 0.26 O ATOM 934 CB ILE A 64 -4.491 -4.207 0.754 1.00 0.24 C ATOM 935 CG1 ILE A 64 -3.165 -3.455 0.610 1.00 0.30 C ATOM 936 CG2 ILE A 64 -4.294 -5.717 0.675 1.00 0.27 C ATOM 937 CD1 ILE A 64 -2.390 -3.892 -0.629 1.00 0.39 C ATOM 0 H ILE A 64 -5.912 -2.401 1.431 1.00 0.29 H new ATOM 0 HA ILE A 64 -5.030 -3.240 -1.066 1.00 0.24 H new ATOM 0 HB ILE A 64 -4.887 -4.038 1.755 1.00 0.24 H new ATOM 0 HG12 ILE A 64 -3.360 -2.384 0.556 1.00 0.30 H new ATOM 0 HG13 ILE A 64 -2.555 -3.624 1.497 1.00 0.30 H new ATOM 0 HG21 ILE A 64 -3.523 -6.021 1.383 1.00 0.27 H new ATOM 0 HG22 ILE A 64 -5.230 -6.219 0.919 1.00 0.27 H new ATOM 0 HG23 ILE A 64 -3.988 -5.992 -0.334 1.00 0.27 H new ATOM 0 HD11 ILE A 64 -1.457 -3.332 -0.690 1.00 0.39 H new ATOM 0 HD12 ILE A 64 -2.171 -4.958 -0.564 1.00 0.39 H new ATOM 0 HD13 ILE A 64 -2.988 -3.699 -1.519 1.00 0.39 H new ATOM 949 N GLU A 65 -7.371 -5.224 0.197 1.00 0.27 N ATOM 950 CA GLU A 65 -8.418 -6.187 -0.105 1.00 0.31 C ATOM 951 C GLU A 65 -9.427 -5.597 -1.091 1.00 0.33 C ATOM 952 O GLU A 65 -9.625 -6.146 -2.171 1.00 0.36 O ATOM 953 CB GLU A 65 -9.105 -6.626 1.197 1.00 0.34 C ATOM 954 CG GLU A 65 -8.274 -7.671 1.956 1.00 0.40 C ATOM 955 CD GLU A 65 -8.467 -9.096 1.438 1.00 0.65 C ATOM 956 OE1 GLU A 65 -9.087 -9.247 0.363 1.00 1.51 O ATOM 957 OE2 GLU A 65 -8.010 -10.014 2.150 1.00 1.42 O ATOM 0 H GLU A 65 -7.318 -4.985 1.187 1.00 0.27 H new ATOM 0 HA GLU A 65 -7.973 -7.063 -0.577 1.00 0.31 H new ATOM 0 HB2 GLU A 65 -9.265 -5.756 1.834 1.00 0.34 H new ATOM 0 HB3 GLU A 65 -10.087 -7.039 0.968 1.00 0.34 H new ATOM 0 HG2 GLU A 65 -7.219 -7.407 1.884 1.00 0.40 H new ATOM 0 HG3 GLU A 65 -8.540 -7.638 3.013 1.00 0.40 H new ATOM 964 N LYS A 66 -10.071 -4.476 -0.745 1.00 0.35 N ATOM 965 CA LYS A 66 -11.119 -3.889 -1.587 1.00 0.41 C ATOM 966 C LYS A 66 -10.650 -3.613 -3.020 1.00 0.41 C ATOM 967 O LYS A 66 -11.404 -3.806 -3.970 1.00 0.47 O ATOM 968 CB LYS A 66 -11.681 -2.613 -0.947 1.00 0.47 C ATOM 969 CG LYS A 66 -13.122 -2.810 -0.446 1.00 0.67 C ATOM 970 CD LYS A 66 -13.231 -2.114 0.903 1.00 2.30 C ATOM 971 CE LYS A 66 -14.625 -2.163 1.545 1.00 2.90 C ATOM 972 NZ LYS A 66 -14.808 -3.378 2.358 1.00 4.01 N ATOM 0 H LYS A 66 -9.884 -3.957 0.113 1.00 0.35 H new ATOM 0 HA LYS A 66 -11.914 -4.632 -1.655 1.00 0.41 H new ATOM 0 HB2 LYS A 66 -11.045 -2.314 -0.114 1.00 0.47 H new ATOM 0 HB3 LYS A 66 -11.657 -1.801 -1.674 1.00 0.47 H new ATOM 0 HG2 LYS A 66 -13.836 -2.389 -1.154 1.00 0.67 H new ATOM 0 HG3 LYS A 66 -13.354 -3.871 -0.351 1.00 0.67 H new ATOM 0 HD2 LYS A 66 -12.515 -2.568 1.588 1.00 2.30 H new ATOM 0 HD3 LYS A 66 -12.939 -1.071 0.782 1.00 2.30 H new ATOM 0 HE2 LYS A 66 -14.769 -1.282 2.170 1.00 2.90 H new ATOM 0 HE3 LYS A 66 -15.386 -2.129 0.765 1.00 2.90 H new ATOM 0 HZ1 LYS A 66 -15.803 -3.454 2.650 1.00 4.01 H new ATOM 0 HZ2 LYS A 66 -14.547 -4.214 1.797 1.00 4.01 H new ATOM 0 HZ3 LYS A 66 -14.203 -3.325 3.202 1.00 4.01 H new ATOM 986 N LEU A 67 -9.415 -3.136 -3.171 1.00 0.40 N ATOM 987 CA LEU A 67 -8.789 -2.870 -4.459 1.00 0.43 C ATOM 988 C LEU A 67 -8.531 -4.167 -5.238 1.00 0.43 C ATOM 989 O LEU A 67 -8.325 -4.116 -6.448 1.00 0.47 O ATOM 990 CB LEU A 67 -7.508 -2.051 -4.245 1.00 0.45 C ATOM 991 CG LEU A 67 -7.830 -0.594 -3.860 1.00 0.52 C ATOM 992 CD1 LEU A 67 -6.663 0.036 -3.098 1.00 0.55 C ATOM 993 CD2 LEU A 67 -8.116 0.250 -5.111 1.00 0.61 C ATOM 0 H LEU A 67 -8.810 -2.920 -2.379 1.00 0.40 H new ATOM 0 HA LEU A 67 -9.471 -2.282 -5.073 1.00 0.43 H new ATOM 0 HB2 LEU A 67 -6.907 -2.512 -3.461 1.00 0.45 H new ATOM 0 HB3 LEU A 67 -6.909 -2.064 -5.156 1.00 0.45 H new ATOM 0 HG LEU A 67 -8.714 -0.612 -3.223 1.00 0.52 H new ATOM 0 HD11 LEU A 67 -6.912 1.064 -2.836 1.00 0.55 H new ATOM 0 HD12 LEU A 67 -6.472 -0.534 -2.189 1.00 0.55 H new ATOM 0 HD13 LEU A 67 -5.772 0.027 -3.725 1.00 0.55 H new ATOM 0 HD21 LEU A 67 -8.341 1.275 -4.815 1.00 0.61 H new ATOM 0 HD22 LEU A 67 -7.242 0.244 -5.762 1.00 0.61 H new ATOM 0 HD23 LEU A 67 -8.969 -0.169 -5.645 1.00 0.61 H new ATOM 1005 N GLY A 68 -8.545 -5.316 -4.558 1.00 0.40 N ATOM 1006 CA GLY A 68 -8.445 -6.636 -5.157 1.00 0.42 C ATOM 1007 C GLY A 68 -7.010 -7.141 -5.113 1.00 0.38 C ATOM 1008 O GLY A 68 -6.536 -7.722 -6.087 1.00 0.40 O ATOM 0 H GLY A 68 -8.629 -5.347 -3.542 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -9.096 -7.331 -4.627 1.00 0.42 H new ATOM 0 HA3 GLY A 68 -8.791 -6.599 -6.190 1.00 0.42 H new ATOM 1012 N TYR A 69 -6.313 -6.912 -3.994 1.00 0.37 N ATOM 1013 CA TYR A 69 -4.907 -7.242 -3.835 1.00 0.34 C ATOM 1014 C TYR A 69 -4.655 -7.836 -2.453 1.00 0.30 C ATOM 1015 O TYR A 69 -5.559 -7.885 -1.623 1.00 0.29 O ATOM 1016 CB TYR A 69 -4.082 -5.972 -4.041 1.00 0.38 C ATOM 1017 CG TYR A 69 -3.178 -6.090 -5.239 1.00 0.38 C ATOM 1018 CD1 TYR A 69 -3.712 -5.970 -6.534 1.00 1.96 C ATOM 1019 CD2 TYR A 69 -1.810 -6.343 -5.064 1.00 1.73 C ATOM 1020 CE1 TYR A 69 -2.857 -5.971 -7.644 1.00 1.95 C ATOM 1021 CE2 TYR A 69 -0.951 -6.279 -6.170 1.00 1.76 C ATOM 1022 CZ TYR A 69 -1.471 -6.094 -7.462 1.00 0.47 C ATOM 1023 OH TYR A 69 -0.624 -5.939 -8.521 1.00 0.53 O ATOM 0 H TYR A 69 -6.724 -6.485 -3.164 1.00 0.37 H new ATOM 0 HA TYR A 69 -4.614 -7.988 -4.574 1.00 0.34 H new ATOM 0 HB2 TYR A 69 -4.750 -5.120 -4.170 1.00 0.38 H new ATOM 0 HB3 TYR A 69 -3.484 -5.777 -3.151 1.00 0.38 H new ATOM 0 HD1 TYR A 69 -4.779 -5.877 -6.673 1.00 1.96 H new ATOM 0 HD2 TYR A 69 -1.422 -6.585 -4.086 1.00 1.73 H new ATOM 0 HE1 TYR A 69 -3.265 -5.877 -8.640 1.00 1.95 H new ATOM 0 HE2 TYR A 69 0.116 -6.372 -6.028 1.00 1.76 H new ATOM 0 HH TYR A 69 0.301 -5.909 -8.198 1.00 0.53 H new ATOM 1033 N HIS A 70 -3.414 -8.266 -2.198 1.00 0.30 N ATOM 1034 CA HIS A 70 -2.999 -8.754 -0.894 1.00 0.28 C ATOM 1035 C HIS A 70 -1.565 -8.283 -0.635 1.00 0.31 C ATOM 1036 O HIS A 70 -0.784 -8.115 -1.571 1.00 0.65 O ATOM 1037 CB HIS A 70 -3.161 -10.281 -0.865 1.00 0.38 C ATOM 1038 CG HIS A 70 -3.153 -10.942 0.495 1.00 0.56 C ATOM 1039 ND1 HIS A 70 -3.096 -12.303 0.701 1.00 2.06 N ATOM 1040 CD2 HIS A 70 -3.395 -10.359 1.714 1.00 1.66 C ATOM 1041 CE1 HIS A 70 -3.267 -12.526 2.015 1.00 1.70 C ATOM 1042 NE2 HIS A 70 -3.446 -11.373 2.675 1.00 1.19 N ATOM 0 H HIS A 70 -2.673 -8.282 -2.898 1.00 0.30 H new ATOM 0 HA HIS A 70 -3.617 -8.356 -0.089 1.00 0.28 H new ATOM 0 HB2 HIS A 70 -4.099 -10.532 -1.359 1.00 0.38 H new ATOM 0 HB3 HIS A 70 -2.360 -10.719 -1.460 1.00 0.38 H new ATOM 0 HD2 HIS A 70 -3.523 -9.303 1.898 1.00 1.66 H new ATOM 0 HE1 HIS A 70 -3.261 -13.502 2.477 1.00 1.70 H new ATOM 0 HE2 HIS A 70 -3.591 -11.258 3.678 1.00 1.19 H new ATOM 1050 N VAL A 71 -1.230 -8.044 0.633 1.00 0.35 N ATOM 1051 CA VAL A 71 0.091 -7.647 1.101 1.00 0.38 C ATOM 1052 C VAL A 71 0.577 -8.745 2.047 1.00 0.43 C ATOM 1053 O VAL A 71 -0.240 -9.443 2.646 1.00 0.60 O ATOM 1054 CB VAL A 71 -0.005 -6.248 1.752 1.00 0.51 C ATOM 1055 CG1 VAL A 71 0.763 -6.093 3.071 1.00 1.86 C ATOM 1056 CG2 VAL A 71 0.481 -5.175 0.768 1.00 1.62 C ATOM 0 H VAL A 71 -1.905 -8.127 1.393 1.00 0.35 H new ATOM 0 HA VAL A 71 0.820 -7.551 0.296 1.00 0.38 H new ATOM 0 HB VAL A 71 -1.060 -6.122 1.995 1.00 0.51 H new ATOM 0 HG11 VAL A 71 0.635 -5.079 3.449 1.00 1.86 H new ATOM 0 HG12 VAL A 71 0.378 -6.804 3.802 1.00 1.86 H new ATOM 0 HG13 VAL A 71 1.822 -6.286 2.900 1.00 1.86 H new ATOM 0 HG21 VAL A 71 0.409 -4.193 1.236 1.00 1.62 H new ATOM 0 HG22 VAL A 71 1.518 -5.373 0.497 1.00 1.62 H new ATOM 0 HG23 VAL A 71 -0.139 -5.196 -0.128 1.00 1.62 H new ATOM 1066 N VAL A 72 1.896 -8.907 2.160 1.00 0.37 N ATOM 1067 CA VAL A 72 2.543 -9.883 3.020 1.00 0.40 C ATOM 1068 C VAL A 72 3.507 -9.142 3.945 1.00 0.41 C ATOM 1069 O VAL A 72 4.092 -8.125 3.567 1.00 0.41 O ATOM 1070 CB VAL A 72 3.222 -10.976 2.189 1.00 0.41 C ATOM 1071 CG1 VAL A 72 3.881 -12.050 3.064 1.00 0.48 C ATOM 1072 CG2 VAL A 72 2.217 -11.654 1.249 1.00 0.56 C ATOM 0 H VAL A 72 2.561 -8.340 1.635 1.00 0.37 H new ATOM 0 HA VAL A 72 1.809 -10.400 3.638 1.00 0.40 H new ATOM 0 HB VAL A 72 3.999 -10.478 1.608 1.00 0.41 H new ATOM 0 HG11 VAL A 72 4.348 -12.802 2.428 1.00 0.48 H new ATOM 0 HG12 VAL A 72 4.639 -11.589 3.697 1.00 0.48 H new ATOM 0 HG13 VAL A 72 3.125 -12.524 3.690 1.00 0.48 H new ATOM 0 HG21 VAL A 72 2.724 -12.426 0.670 1.00 0.56 H new ATOM 0 HG22 VAL A 72 1.418 -12.107 1.836 1.00 0.56 H new ATOM 0 HG23 VAL A 72 1.794 -10.912 0.572 1.00 0.56 H new ATOM 1082 N ILE A 73 3.638 -9.646 5.171 1.00 0.52 N ATOM 1083 CA ILE A 73 4.402 -9.025 6.243 1.00 0.61 C ATOM 1084 C ILE A 73 5.559 -9.944 6.621 1.00 0.68 C ATOM 1085 O ILE A 73 5.493 -10.663 7.614 1.00 0.75 O ATOM 1086 CB ILE A 73 3.499 -8.715 7.449 1.00 0.69 C ATOM 1087 CG1 ILE A 73 2.247 -7.917 7.054 1.00 0.85 C ATOM 1088 CG2 ILE A 73 4.288 -7.962 8.537 1.00 0.79 C ATOM 1089 CD1 ILE A 73 2.505 -6.545 6.424 1.00 1.04 C ATOM 0 H ILE A 73 3.201 -10.524 5.450 1.00 0.52 H new ATOM 0 HA ILE A 73 4.809 -8.073 5.903 1.00 0.61 H new ATOM 0 HB ILE A 73 3.162 -9.672 7.846 1.00 0.69 H new ATOM 0 HG12 ILE A 73 1.664 -8.514 6.353 1.00 0.85 H new ATOM 0 HG13 ILE A 73 1.632 -7.778 7.943 1.00 0.85 H new ATOM 0 HG21 ILE A 73 3.632 -7.752 9.382 1.00 0.79 H new ATOM 0 HG22 ILE A 73 5.124 -8.576 8.871 1.00 0.79 H new ATOM 0 HG23 ILE A 73 4.666 -7.025 8.129 1.00 0.79 H new ATOM 0 HD11 ILE A 73 1.554 -6.070 6.185 1.00 1.04 H new ATOM 0 HD12 ILE A 73 3.056 -5.920 7.127 1.00 1.04 H new ATOM 0 HD13 ILE A 73 3.089 -6.667 5.512 1.00 1.04 H new ATOM 1101 N GLU A 74 6.646 -9.899 5.849 1.00 0.75 N ATOM 1102 CA GLU A 74 7.871 -10.593 6.168 1.00 0.86 C ATOM 1103 C GLU A 74 8.659 -9.979 7.329 1.00 1.04 C ATOM 1104 O GLU A 74 9.640 -10.557 7.785 1.00 1.22 O ATOM 1105 CB GLU A 74 8.715 -10.725 4.903 1.00 0.97 C ATOM 1106 CG GLU A 74 8.142 -11.758 3.925 1.00 0.97 C ATOM 1107 CD GLU A 74 9.149 -12.091 2.830 1.00 1.89 C ATOM 1108 OE1 GLU A 74 9.835 -11.145 2.389 1.00 3.03 O ATOM 1109 OE2 GLU A 74 9.216 -13.283 2.465 1.00 2.57 O ATOM 0 H GLU A 74 6.690 -9.371 4.978 1.00 0.75 H new ATOM 0 HA GLU A 74 7.598 -11.584 6.531 1.00 0.86 H new ATOM 0 HB2 GLU A 74 8.778 -9.756 4.408 1.00 0.97 H new ATOM 0 HB3 GLU A 74 9.731 -11.010 5.175 1.00 0.97 H new ATOM 0 HG2 GLU A 74 7.873 -12.666 4.465 1.00 0.97 H new ATOM 0 HG3 GLU A 74 7.227 -11.371 3.477 1.00 0.97 H new ATOM 1116 N GLY A 75 8.219 -8.815 7.802 1.00 1.08 N ATOM 1117 CA GLY A 75 8.867 -8.056 8.864 1.00 1.34 C ATOM 1118 C GLY A 75 10.278 -7.657 8.435 1.00 2.29 C ATOM 1119 O GLY A 75 11.256 -8.281 8.838 1.00 2.95 O ATOM 0 H GLY A 75 7.377 -8.363 7.445 1.00 1.08 H new ATOM 0 HA2 GLY A 75 8.283 -7.165 9.094 1.00 1.34 H new ATOM 0 HA3 GLY A 75 8.910 -8.653 9.775 1.00 1.34 H new ATOM 1123 N ARG A 76 10.371 -6.634 7.582 1.00 3.63 N ATOM 1124 CA ARG A 76 11.555 -6.311 6.810 1.00 5.67 C ATOM 1125 C ARG A 76 11.676 -4.788 6.787 1.00 6.81 C ATOM 1126 O ARG A 76 10.613 -4.154 6.621 1.00 7.21 O ATOM 1127 CB ARG A 76 11.354 -6.916 5.408 1.00 6.87 C ATOM 1128 CG ARG A 76 12.620 -7.188 4.586 1.00 8.98 C ATOM 1129 CD ARG A 76 13.322 -5.914 4.100 1.00 10.31 C ATOM 1130 NE ARG A 76 14.285 -5.415 5.089 1.00 10.93 N ATOM 1131 CZ ARG A 76 15.539 -5.848 5.257 1.00 11.89 C ATOM 1132 NH1 ARG A 76 15.984 -6.883 4.533 1.00 12.42 N ATOM 1133 NH2 ARG A 76 16.338 -5.249 6.145 1.00 12.61 N ATOM 1134 OXT ARG A 76 12.816 -4.288 6.940 1.00 7.77 O ATOM 0 H ARG A 76 9.596 -5.993 7.410 1.00 3.63 H new ATOM 0 HA ARG A 76 12.477 -6.716 7.227 1.00 5.67 H new ATOM 0 HB2 ARG A 76 10.811 -7.855 5.517 1.00 6.87 H new ATOM 0 HB3 ARG A 76 10.715 -6.243 4.836 1.00 6.87 H new ATOM 0 HG2 ARG A 76 13.317 -7.769 5.190 1.00 8.98 H new ATOM 0 HG3 ARG A 76 12.358 -7.800 3.723 1.00 8.98 H new ATOM 0 HD2 ARG A 76 13.837 -6.118 3.161 1.00 10.31 H new ATOM 0 HD3 ARG A 76 12.578 -5.144 3.895 1.00 10.31 H new ATOM 0 HE ARG A 76 13.968 -4.668 5.706 1.00 10.93 H new ATOM 0 HH11 ARG A 76 15.368 -7.336 3.858 1.00 12.42 H new ATOM 0 HH12 ARG A 76 16.939 -7.218 4.656 1.00 12.42 H new ATOM 0 HH21 ARG A 76 15.991 -4.462 6.694 1.00 12.61 H new ATOM 0 HH22 ARG A 76 17.295 -5.578 6.274 1.00 12.61 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -2.930 -3.586 -14.241 1.00 2.61 CU