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 11 GLN : amide:sc= -0.0376 K(o=1,f=-0.32) USER MOD Set 1.2: A 45 THR OG1 : rot -52:sc= 1.03 USER MOD Set 2.1: A 5 GLN : amide:sc= -0.839 K(o=-0.84,f=-4!) USER MOD Set 2.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -111:sc=-0.00534 (180deg=-0.47) USER MOD Single : A 1 MET N :NH3+ -110:sc= 1.54 (180deg=-0.533) USER MOD Single : A 3 SER OG : rot 180:sc= 0.02 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -169:sc= -1.12 (180deg=-1.33) USER MOD Single : A 13 SER OG : rot 180:sc=0.000797 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 114:sc= 0.21 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -114:sc= 0.933 (180deg=-1.94!) USER MOD Single : A 31 MET CE :methyl 162:sc= -0.833 (180deg=-2.13!) USER MOD Single : A 38 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.076) USER MOD Single : A 40 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.1) USER MOD Single : A 43 THR OG1 : rot -46:sc= 0.598 USER MOD Single : A 47 ASN : amide:sc= 0.567 K(o=0.57,f=-0.0035) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 51:sc= 0.0254 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -176:sc= 0.761 (180deg=0.59) USER MOD Single : A 69 TYR OH : rot -60:sc=-0.00572 USER MOD Single : A 70 HIS : no HD1:sc= 0.0983 K(o=0.098,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.612 17.542 17.896 1.00 6.07 N ATOM 2 CA MET A 1 3.318 17.925 16.503 1.00 4.93 C ATOM 3 C MET A 1 1.876 17.535 16.189 1.00 3.02 C ATOM 4 O MET A 1 1.250 16.883 17.022 1.00 3.09 O ATOM 5 CB MET A 1 4.302 17.263 15.523 1.00 6.30 C ATOM 6 CG MET A 1 4.487 15.763 15.797 1.00 7.57 C ATOM 7 SD MET A 1 5.741 15.416 17.059 1.00 9.12 S ATOM 8 CE MET A 1 5.206 13.801 17.663 1.00 10.31 C ATOM 0 H1 MET A 1 3.706 18.398 18.479 1.00 6.07 H new ATOM 0 H2 MET A 1 2.837 16.955 18.266 1.00 6.07 H new ATOM 0 H3 MET A 1 4.500 17.002 17.927 1.00 6.07 H new ATOM 0 HA MET A 1 3.438 19.002 16.387 1.00 4.93 H new ATOM 0 HB2 MET A 1 3.942 17.401 14.503 1.00 6.30 H new ATOM 0 HB3 MET A 1 5.268 17.763 15.590 1.00 6.30 H new ATOM 0 HG2 MET A 1 3.535 15.338 16.114 1.00 7.57 H new ATOM 0 HG3 MET A 1 4.766 15.263 14.870 1.00 7.57 H new ATOM 0 HE1 MET A 1 4.833 13.899 18.683 1.00 10.31 H new ATOM 0 HE2 MET A 1 4.412 13.417 17.022 1.00 10.31 H new ATOM 0 HE3 MET A 1 6.049 13.110 17.650 1.00 10.31 H new ATOM 20 N LEU A 2 1.379 17.905 15.006 1.00 2.33 N ATOM 21 CA LEU A 2 0.195 17.288 14.417 1.00 1.12 C ATOM 22 C LEU A 2 0.573 15.878 13.938 1.00 1.29 C ATOM 23 O LEU A 2 1.706 15.446 14.149 1.00 2.77 O ATOM 24 CB LEU A 2 -0.307 18.165 13.250 1.00 2.60 C ATOM 25 CG LEU A 2 -1.311 19.242 13.689 1.00 3.49 C ATOM 26 CD1 LEU A 2 -0.699 20.262 14.655 1.00 4.19 C ATOM 27 CD2 LEU A 2 -1.844 19.968 12.449 1.00 5.02 C ATOM 0 H LEU A 2 1.789 18.642 14.432 1.00 2.33 H new ATOM 0 HA LEU A 2 -0.610 17.208 15.147 1.00 1.12 H new ATOM 0 HB2 LEU A 2 0.547 18.646 12.773 1.00 2.60 H new ATOM 0 HB3 LEU A 2 -0.774 17.527 12.500 1.00 2.60 H new ATOM 0 HG LEU A 2 -2.119 18.740 14.221 1.00 3.49 H new ATOM 0 HD11 LEU A 2 -1.453 20.999 14.932 1.00 4.19 H new ATOM 0 HD12 LEU A 2 -0.347 19.749 15.550 1.00 4.19 H new ATOM 0 HD13 LEU A 2 0.139 20.764 14.171 1.00 4.19 H new ATOM 0 HD21 LEU A 2 -2.557 20.734 12.754 1.00 5.02 H new ATOM 0 HD22 LEU A 2 -1.015 20.435 11.917 1.00 5.02 H new ATOM 0 HD23 LEU A 2 -2.339 19.252 11.793 1.00 5.02 H new ATOM 39 N SER A 3 -0.372 15.192 13.285 1.00 0.68 N ATOM 40 CA SER A 3 -0.188 13.998 12.478 1.00 0.57 C ATOM 41 C SER A 3 1.240 13.846 11.962 1.00 0.61 C ATOM 42 O SER A 3 1.673 14.607 11.096 1.00 0.87 O ATOM 43 CB SER A 3 -1.167 14.102 11.308 1.00 0.68 C ATOM 44 OG SER A 3 -2.472 14.199 11.844 1.00 0.89 O ATOM 0 H SER A 3 -1.349 15.483 13.314 1.00 0.68 H new ATOM 0 HA SER A 3 -0.377 13.116 13.090 1.00 0.57 H new ATOM 0 HB2 SER A 3 -0.940 14.975 10.696 1.00 0.68 H new ATOM 0 HB3 SER A 3 -1.084 13.229 10.661 1.00 0.68 H new ATOM 0 HG SER A 3 -3.121 14.269 11.113 1.00 0.89 H new ATOM 50 N GLU A 4 1.964 12.876 12.518 1.00 0.53 N ATOM 51 CA GLU A 4 3.294 12.528 12.060 1.00 0.50 C ATOM 52 C GLU A 4 3.207 11.850 10.694 1.00 0.51 C ATOM 53 O GLU A 4 2.131 11.703 10.122 1.00 0.74 O ATOM 54 CB GLU A 4 3.987 11.636 13.098 1.00 0.55 C ATOM 55 CG GLU A 4 4.899 12.418 14.024 1.00 0.66 C ATOM 56 CD GLU A 4 5.846 11.497 14.782 1.00 1.03 C ATOM 57 OE1 GLU A 4 5.375 10.874 15.756 1.00 1.88 O ATOM 58 OE2 GLU A 4 7.020 11.423 14.363 1.00 2.11 O ATOM 0 H GLU A 4 1.637 12.311 13.302 1.00 0.53 H new ATOM 0 HA GLU A 4 3.895 13.430 11.947 1.00 0.50 H new ATOM 0 HB2 GLU A 4 3.231 11.119 13.690 1.00 0.55 H new ATOM 0 HB3 GLU A 4 4.568 10.870 12.584 1.00 0.55 H new ATOM 0 HG2 GLU A 4 5.476 13.139 13.445 1.00 0.66 H new ATOM 0 HG3 GLU A 4 4.298 12.987 14.733 1.00 0.66 H new ATOM 65 N GLN A 5 4.356 11.424 10.170 1.00 0.41 N ATOM 66 CA GLN A 5 4.437 10.550 9.019 1.00 0.38 C ATOM 67 C GLN A 5 5.464 9.473 9.341 1.00 0.37 C ATOM 68 O GLN A 5 6.451 9.770 10.011 1.00 0.44 O ATOM 69 CB GLN A 5 4.911 11.340 7.800 1.00 0.41 C ATOM 70 CG GLN A 5 3.923 12.407 7.318 1.00 0.50 C ATOM 71 CD GLN A 5 3.077 11.941 6.141 1.00 0.57 C ATOM 72 OE1 GLN A 5 2.930 12.673 5.169 1.00 1.27 O ATOM 73 NE2 GLN A 5 2.533 10.727 6.196 1.00 0.44 N ATOM 0 H GLN A 5 5.267 11.686 10.546 1.00 0.41 H new ATOM 0 HA GLN A 5 3.462 10.116 8.800 1.00 0.38 H new ATOM 0 HB2 GLN A 5 5.859 11.821 8.040 1.00 0.41 H new ATOM 0 HB3 GLN A 5 5.104 10.644 6.983 1.00 0.41 H new ATOM 0 HG2 GLN A 5 3.267 12.687 8.142 1.00 0.50 H new ATOM 0 HG3 GLN A 5 4.474 13.303 7.031 1.00 0.50 H new ATOM 0 HE21 GLN A 5 2.674 10.142 7.019 1.00 0.44 H new ATOM 0 HE22 GLN A 5 1.975 10.382 5.415 1.00 0.44 H new ATOM 82 N LYS A 6 5.254 8.254 8.845 1.00 0.33 N ATOM 83 CA LYS A 6 6.304 7.261 8.700 1.00 0.37 C ATOM 84 C LYS A 6 6.085 6.477 7.408 1.00 0.30 C ATOM 85 O LYS A 6 4.994 6.497 6.830 1.00 0.28 O ATOM 86 CB LYS A 6 6.419 6.339 9.928 1.00 0.49 C ATOM 87 CG LYS A 6 7.061 7.080 11.114 1.00 1.05 C ATOM 88 CD LYS A 6 7.622 6.145 12.195 1.00 0.99 C ATOM 89 CE LYS A 6 6.509 5.529 13.052 1.00 2.64 C ATOM 90 NZ LYS A 6 7.045 4.714 14.160 1.00 3.43 N ATOM 0 H LYS A 6 4.339 7.930 8.531 1.00 0.33 H new ATOM 0 HA LYS A 6 7.261 7.779 8.638 1.00 0.37 H new ATOM 0 HB2 LYS A 6 5.430 5.979 10.211 1.00 0.49 H new ATOM 0 HB3 LYS A 6 7.016 5.463 9.675 1.00 0.49 H new ATOM 0 HG2 LYS A 6 7.865 7.715 10.742 1.00 1.05 H new ATOM 0 HG3 LYS A 6 6.318 7.738 11.565 1.00 1.05 H new ATOM 0 HD2 LYS A 6 8.199 5.350 11.723 1.00 0.99 H new ATOM 0 HD3 LYS A 6 8.308 6.700 12.835 1.00 0.99 H new ATOM 0 HE2 LYS A 6 5.883 6.324 13.458 1.00 2.64 H new ATOM 0 HE3 LYS A 6 5.870 4.909 12.423 1.00 2.64 H new ATOM 0 HZ1 LYS A 6 6.258 4.318 14.712 1.00 3.43 H new ATOM 0 HZ2 LYS A 6 7.621 3.939 13.774 1.00 3.43 H new ATOM 0 HZ3 LYS A 6 7.634 5.310 14.776 1.00 3.43 H new ATOM 104 N GLU A 7 7.158 5.813 6.979 1.00 0.33 N ATOM 105 CA GLU A 7 7.371 5.216 5.684 1.00 0.36 C ATOM 106 C GLU A 7 7.623 3.738 5.917 1.00 0.46 C ATOM 107 O GLU A 7 8.753 3.276 6.069 1.00 0.82 O ATOM 108 CB GLU A 7 8.586 5.851 5.001 1.00 0.50 C ATOM 109 CG GLU A 7 8.710 7.370 5.208 1.00 0.72 C ATOM 110 CD GLU A 7 9.350 7.778 6.539 1.00 0.98 C ATOM 111 OE1 GLU A 7 9.484 6.902 7.426 1.00 0.85 O ATOM 112 OE2 GLU A 7 9.668 8.979 6.652 1.00 1.90 O ATOM 0 H GLU A 7 7.963 5.674 7.590 1.00 0.33 H new ATOM 0 HA GLU A 7 6.506 5.371 5.039 1.00 0.36 H new ATOM 0 HB2 GLU A 7 9.490 5.371 5.375 1.00 0.50 H new ATOM 0 HB3 GLU A 7 8.535 5.645 3.932 1.00 0.50 H new ATOM 0 HG2 GLU A 7 9.299 7.789 4.392 1.00 0.72 H new ATOM 0 HG3 GLU A 7 7.717 7.815 5.145 1.00 0.72 H new ATOM 119 N ILE A 8 6.544 2.982 5.985 1.00 0.32 N ATOM 120 CA ILE A 8 6.621 1.586 6.303 1.00 0.36 C ATOM 121 C ILE A 8 6.965 0.863 4.998 1.00 0.26 C ATOM 122 O ILE A 8 6.853 1.446 3.920 1.00 0.25 O ATOM 123 CB ILE A 8 5.300 1.189 6.950 1.00 0.53 C ATOM 124 CG1 ILE A 8 5.017 1.876 8.302 1.00 1.50 C ATOM 125 CG2 ILE A 8 5.265 -0.276 7.274 1.00 0.75 C ATOM 126 CD1 ILE A 8 4.616 3.331 8.162 1.00 2.20 C ATOM 0 H ILE A 8 5.598 3.325 5.821 1.00 0.32 H new ATOM 0 HA ILE A 8 7.394 1.319 7.024 1.00 0.36 H new ATOM 0 HB ILE A 8 4.563 1.490 6.205 1.00 0.53 H new ATOM 0 HG12 ILE A 8 4.223 1.335 8.817 1.00 1.50 H new ATOM 0 HG13 ILE A 8 5.906 1.810 8.929 1.00 1.50 H new ATOM 0 HG21 ILE A 8 4.309 -0.524 7.734 1.00 0.75 H new ATOM 0 HG22 ILE A 8 5.388 -0.854 6.358 1.00 0.75 H new ATOM 0 HG23 ILE A 8 6.073 -0.515 7.965 1.00 0.75 H new ATOM 0 HD11 ILE A 8 4.431 3.754 9.149 1.00 2.20 H new ATOM 0 HD12 ILE A 8 5.419 3.884 7.674 1.00 2.20 H new ATOM 0 HD13 ILE A 8 3.709 3.402 7.561 1.00 2.20 H new ATOM 138 N ALA A 9 7.426 -0.382 5.100 1.00 0.27 N ATOM 139 CA ALA A 9 7.883 -1.208 3.990 1.00 0.27 C ATOM 140 C ALA A 9 7.364 -2.630 4.204 1.00 0.35 C ATOM 141 O ALA A 9 7.460 -3.133 5.322 1.00 0.48 O ATOM 142 CB ALA A 9 9.415 -1.214 3.948 1.00 0.33 C ATOM 0 H ALA A 9 7.493 -0.861 5.998 1.00 0.27 H new ATOM 0 HA ALA A 9 7.509 -0.812 3.046 1.00 0.27 H new ATOM 0 HB1 ALA A 9 9.754 -1.833 3.117 1.00 0.33 H new ATOM 0 HB2 ALA A 9 9.779 -0.195 3.814 1.00 0.33 H new ATOM 0 HB3 ALA A 9 9.803 -1.618 4.883 1.00 0.33 H new ATOM 148 N MET A 10 6.815 -3.268 3.166 1.00 0.34 N ATOM 149 CA MET A 10 6.376 -4.664 3.230 1.00 0.48 C ATOM 150 C MET A 10 6.349 -5.289 1.831 1.00 0.30 C ATOM 151 O MET A 10 6.585 -4.593 0.842 1.00 0.23 O ATOM 152 CB MET A 10 5.026 -4.791 3.955 1.00 0.80 C ATOM 153 CG MET A 10 3.992 -3.748 3.529 1.00 1.02 C ATOM 154 SD MET A 10 3.729 -2.396 4.699 1.00 1.58 S ATOM 155 CE MET A 10 4.169 -1.000 3.654 1.00 2.71 C ATOM 0 H MET A 10 6.663 -2.830 2.257 1.00 0.34 H new ATOM 0 HA MET A 10 7.100 -5.226 3.820 1.00 0.48 H new ATOM 0 HB2 MET A 10 4.620 -5.786 3.773 1.00 0.80 H new ATOM 0 HB3 MET A 10 5.192 -4.706 5.029 1.00 0.80 H new ATOM 0 HG2 MET A 10 4.301 -3.324 2.573 1.00 1.02 H new ATOM 0 HG3 MET A 10 3.040 -4.252 3.362 1.00 1.02 H new ATOM 0 HE1 MET A 10 4.253 -0.101 4.264 1.00 2.71 H new ATOM 0 HE2 MET A 10 5.123 -1.198 3.165 1.00 2.71 H new ATOM 0 HE3 MET A 10 3.398 -0.854 2.898 1.00 2.71 H new ATOM 165 N GLN A 11 6.077 -6.600 1.762 1.00 0.37 N ATOM 166 CA GLN A 11 6.029 -7.378 0.532 1.00 0.31 C ATOM 167 C GLN A 11 4.592 -7.433 0.005 1.00 0.33 C ATOM 168 O GLN A 11 3.651 -7.175 0.749 1.00 0.42 O ATOM 169 CB GLN A 11 6.591 -8.785 0.813 1.00 0.43 C ATOM 170 CG GLN A 11 8.120 -8.778 0.952 1.00 0.78 C ATOM 171 CD GLN A 11 8.744 -8.281 -0.341 1.00 1.39 C ATOM 172 OE1 GLN A 11 9.388 -7.235 -0.377 1.00 2.68 O ATOM 173 NE2 GLN A 11 8.446 -8.981 -1.427 1.00 0.95 N ATOM 0 H GLN A 11 5.879 -7.159 2.592 1.00 0.37 H new ATOM 0 HA GLN A 11 6.640 -6.909 -0.240 1.00 0.31 H new ATOM 0 HB2 GLN A 11 6.146 -9.177 1.728 1.00 0.43 H new ATOM 0 HB3 GLN A 11 6.304 -9.458 0.005 1.00 0.43 H new ATOM 0 HG2 GLN A 11 8.417 -8.137 1.782 1.00 0.78 H new ATOM 0 HG3 GLN A 11 8.480 -9.781 1.180 1.00 0.78 H new ATOM 0 HE21 GLN A 11 7.908 -9.844 -1.346 1.00 0.95 H new ATOM 0 HE22 GLN A 11 8.754 -8.656 -2.344 1.00 0.95 H new ATOM 182 N VAL A 12 4.417 -7.750 -1.280 1.00 0.36 N ATOM 183 CA VAL A 12 3.137 -7.665 -1.981 1.00 0.41 C ATOM 184 C VAL A 12 2.746 -9.057 -2.491 1.00 0.41 C ATOM 185 O VAL A 12 3.622 -9.892 -2.704 1.00 0.48 O ATOM 186 CB VAL A 12 3.279 -6.654 -3.135 1.00 0.54 C ATOM 187 CG1 VAL A 12 1.924 -6.360 -3.786 1.00 1.11 C ATOM 188 CG2 VAL A 12 3.851 -5.328 -2.622 1.00 1.22 C ATOM 0 H VAL A 12 5.178 -8.080 -1.873 1.00 0.36 H new ATOM 0 HA VAL A 12 2.347 -7.321 -1.313 1.00 0.41 H new ATOM 0 HB VAL A 12 3.951 -7.100 -3.868 1.00 0.54 H new ATOM 0 HG11 VAL A 12 2.058 -5.643 -4.596 1.00 1.11 H new ATOM 0 HG12 VAL A 12 1.503 -7.284 -4.184 1.00 1.11 H new ATOM 0 HG13 VAL A 12 1.245 -5.943 -3.042 1.00 1.11 H new ATOM 0 HG21 VAL A 12 3.944 -4.627 -3.451 1.00 1.22 H new ATOM 0 HG22 VAL A 12 3.184 -4.911 -1.868 1.00 1.22 H new ATOM 0 HG23 VAL A 12 4.833 -5.501 -2.182 1.00 1.22 H new ATOM 198 N SER A 13 1.448 -9.325 -2.693 1.00 0.46 N ATOM 199 CA SER A 13 0.986 -10.539 -3.355 1.00 0.50 C ATOM 200 C SER A 13 -0.385 -10.307 -3.997 1.00 0.69 C ATOM 201 O SER A 13 -0.976 -9.237 -3.862 1.00 0.79 O ATOM 202 CB SER A 13 0.982 -11.720 -2.375 1.00 0.50 C ATOM 203 OG SER A 13 0.631 -12.922 -3.042 1.00 1.97 O ATOM 0 H SER A 13 0.695 -8.703 -2.400 1.00 0.46 H new ATOM 0 HA SER A 13 1.678 -10.795 -4.157 1.00 0.50 H new ATOM 0 HB2 SER A 13 1.967 -11.825 -1.920 1.00 0.50 H new ATOM 0 HB3 SER A 13 0.276 -11.527 -1.567 1.00 0.50 H new ATOM 0 HG SER A 13 0.635 -13.664 -2.402 1.00 1.97 H new ATOM 209 N GLY A 14 -0.874 -11.325 -4.709 1.00 0.84 N ATOM 210 CA GLY A 14 -2.100 -11.260 -5.491 1.00 1.01 C ATOM 211 C GLY A 14 -1.996 -10.161 -6.547 1.00 1.19 C ATOM 212 O GLY A 14 -2.617 -9.110 -6.411 1.00 2.05 O ATOM 0 H GLY A 14 -0.415 -12.235 -4.756 1.00 0.84 H new ATOM 0 HA2 GLY A 14 -2.284 -12.220 -5.972 1.00 1.01 H new ATOM 0 HA3 GLY A 14 -2.948 -11.065 -4.835 1.00 1.01 H new ATOM 216 N MET A 15 -1.192 -10.400 -7.590 1.00 1.09 N ATOM 217 CA MET A 15 -0.857 -9.404 -8.598 1.00 1.14 C ATOM 218 C MET A 15 -0.719 -10.057 -9.973 1.00 1.32 C ATOM 219 O MET A 15 -0.505 -11.264 -10.065 1.00 1.57 O ATOM 220 CB MET A 15 0.435 -8.679 -8.181 1.00 1.07 C ATOM 221 CG MET A 15 1.674 -9.569 -8.015 1.00 1.14 C ATOM 222 SD MET A 15 2.507 -10.077 -9.541 1.00 1.80 S ATOM 223 CE MET A 15 3.829 -11.093 -8.847 1.00 2.03 C ATOM 0 H MET A 15 -0.753 -11.306 -7.754 1.00 1.09 H new ATOM 0 HA MET A 15 -1.659 -8.670 -8.671 1.00 1.14 H new ATOM 0 HB2 MET A 15 0.657 -7.914 -8.925 1.00 1.07 H new ATOM 0 HB3 MET A 15 0.252 -8.163 -7.238 1.00 1.07 H new ATOM 0 HG2 MET A 15 2.395 -9.040 -7.392 1.00 1.14 H new ATOM 0 HG3 MET A 15 1.380 -10.466 -7.470 1.00 1.14 H new ATOM 0 HE1 MET A 15 4.445 -11.490 -9.654 1.00 2.03 H new ATOM 0 HE2 MET A 15 4.446 -10.485 -8.185 1.00 2.03 H new ATOM 0 HE3 MET A 15 3.395 -11.918 -8.282 1.00 2.03 H new ATOM 233 N THR A 16 -0.827 -9.242 -11.025 1.00 1.29 N ATOM 234 CA THR A 16 -0.514 -9.582 -12.405 1.00 1.45 C ATOM 235 C THR A 16 0.868 -9.043 -12.783 1.00 1.00 C ATOM 236 O THR A 16 1.769 -9.823 -13.087 1.00 1.46 O ATOM 237 CB THR A 16 -1.604 -9.000 -13.321 1.00 2.09 C ATOM 238 OG1 THR A 16 -2.159 -7.860 -12.683 1.00 2.28 O ATOM 239 CG2 THR A 16 -2.702 -10.039 -13.561 1.00 3.07 C ATOM 0 H THR A 16 -1.152 -8.280 -10.927 1.00 1.29 H new ATOM 0 HA THR A 16 -0.490 -10.665 -12.524 1.00 1.45 H new ATOM 0 HB THR A 16 -1.171 -8.725 -14.283 1.00 2.09 H new ATOM 0 HG1 THR A 16 -1.944 -7.057 -13.202 1.00 2.28 H new ATOM 0 HG21 THR A 16 -3.468 -9.616 -14.211 1.00 3.07 H new ATOM 0 HG22 THR A 16 -2.271 -10.921 -14.035 1.00 3.07 H new ATOM 0 HG23 THR A 16 -3.150 -10.322 -12.608 1.00 3.07 H new ATOM 247 N CYS A 17 1.027 -7.716 -12.805 1.00 0.81 N ATOM 248 CA CYS A 17 2.180 -7.058 -13.405 1.00 1.34 C ATOM 249 C CYS A 17 2.468 -5.737 -12.694 1.00 1.28 C ATOM 250 O CYS A 17 1.612 -5.194 -11.993 1.00 2.09 O ATOM 251 CB CYS A 17 1.934 -6.854 -14.909 1.00 1.82 C ATOM 252 SG CYS A 17 0.233 -6.300 -15.242 1.00 1.87 S ATOM 0 H CYS A 17 0.351 -7.068 -12.402 1.00 0.81 H new ATOM 0 HA CYS A 17 3.061 -7.689 -13.288 1.00 1.34 H new ATOM 0 HB2 CYS A 17 2.639 -6.119 -15.297 1.00 1.82 H new ATOM 0 HB3 CYS A 17 2.123 -7.788 -15.439 1.00 1.82 H new ATOM 257 N ALA A 18 3.672 -5.194 -12.915 1.00 1.19 N ATOM 258 CA ALA A 18 4.218 -4.021 -12.230 1.00 1.19 C ATOM 259 C ALA A 18 3.566 -2.695 -12.657 1.00 1.05 C ATOM 260 O ALA A 18 4.216 -1.652 -12.658 1.00 1.78 O ATOM 261 CB ALA A 18 5.735 -3.988 -12.453 1.00 1.60 C ATOM 0 H ALA A 18 4.317 -5.578 -13.605 1.00 1.19 H new ATOM 0 HA ALA A 18 3.989 -4.119 -11.169 1.00 1.19 H new ATOM 0 HB1 ALA A 18 6.158 -3.119 -11.949 1.00 1.60 H new ATOM 0 HB2 ALA A 18 6.182 -4.896 -12.048 1.00 1.60 H new ATOM 0 HB3 ALA A 18 5.945 -3.925 -13.521 1.00 1.60 H new ATOM 267 N ALA A 19 2.277 -2.731 -12.992 1.00 0.67 N ATOM 268 CA ALA A 19 1.425 -1.585 -13.258 1.00 0.55 C ATOM 269 C ALA A 19 0.336 -1.523 -12.186 1.00 0.45 C ATOM 270 O ALA A 19 0.097 -0.475 -11.590 1.00 0.47 O ATOM 271 CB ALA A 19 0.823 -1.718 -14.661 1.00 0.71 C ATOM 0 H ALA A 19 1.776 -3.614 -13.089 1.00 0.67 H new ATOM 0 HA ALA A 19 1.999 -0.659 -13.223 1.00 0.55 H new ATOM 0 HB1 ALA A 19 0.183 -0.860 -14.865 1.00 0.71 H new ATOM 0 HB2 ALA A 19 1.625 -1.756 -15.399 1.00 0.71 H new ATOM 0 HB3 ALA A 19 0.233 -2.633 -14.719 1.00 0.71 H new ATOM 277 N CYS A 20 -0.324 -2.648 -11.907 1.00 0.53 N ATOM 278 CA CYS A 20 -1.510 -2.674 -11.064 1.00 0.45 C ATOM 279 C CYS A 20 -1.159 -2.288 -9.628 1.00 0.33 C ATOM 280 O CYS A 20 -1.880 -1.537 -8.971 1.00 0.32 O ATOM 281 CB CYS A 20 -2.152 -4.062 -11.153 1.00 0.58 C ATOM 282 SG CYS A 20 -2.404 -4.511 -12.897 1.00 1.25 S ATOM 0 H CYS A 20 -0.048 -3.564 -12.261 1.00 0.53 H new ATOM 0 HA CYS A 20 -2.234 -1.938 -11.414 1.00 0.45 H new ATOM 0 HB2 CYS A 20 -1.514 -4.800 -10.666 1.00 0.58 H new ATOM 0 HB3 CYS A 20 -3.106 -4.067 -10.625 1.00 0.58 H new ATOM 287 N ALA A 21 0.006 -2.740 -9.164 1.00 0.37 N ATOM 288 CA ALA A 21 0.532 -2.351 -7.868 1.00 0.41 C ATOM 289 C ALA A 21 0.661 -0.822 -7.753 1.00 0.35 C ATOM 290 O ALA A 21 0.540 -0.259 -6.670 1.00 0.49 O ATOM 291 CB ALA A 21 1.858 -3.073 -7.631 1.00 0.59 C ATOM 0 H ALA A 21 0.606 -3.384 -9.679 1.00 0.37 H new ATOM 0 HA ALA A 21 -0.164 -2.650 -7.085 1.00 0.41 H new ATOM 0 HB1 ALA A 21 2.260 -2.786 -6.659 1.00 0.59 H new ATOM 0 HB2 ALA A 21 1.694 -4.150 -7.652 1.00 0.59 H new ATOM 0 HB3 ALA A 21 2.567 -2.798 -8.412 1.00 0.59 H new ATOM 297 N ALA A 22 0.874 -0.105 -8.864 1.00 0.33 N ATOM 298 CA ALA A 22 0.822 1.348 -8.812 1.00 0.38 C ATOM 299 C ALA A 22 -0.604 1.786 -8.487 1.00 0.42 C ATOM 300 O ALA A 22 -0.818 2.610 -7.598 1.00 0.47 O ATOM 301 CB ALA A 22 1.290 1.954 -10.138 1.00 0.44 C ATOM 0 H ALA A 22 1.078 -0.500 -9.782 1.00 0.33 H new ATOM 0 HA ALA A 22 1.493 1.706 -8.032 1.00 0.38 H new ATOM 0 HB1 ALA A 22 1.243 3.041 -10.078 1.00 0.44 H new ATOM 0 HB2 ALA A 22 2.316 1.645 -10.337 1.00 0.44 H new ATOM 0 HB3 ALA A 22 0.644 1.607 -10.945 1.00 0.44 H new ATOM 307 N ARG A 23 -1.575 1.250 -9.230 1.00 0.42 N ATOM 308 CA ARG A 23 -2.976 1.600 -9.064 1.00 0.43 C ATOM 309 C ARG A 23 -3.395 1.430 -7.611 1.00 0.41 C ATOM 310 O ARG A 23 -3.997 2.351 -7.055 1.00 0.45 O ATOM 311 CB ARG A 23 -3.881 0.778 -9.994 1.00 0.49 C ATOM 312 CG ARG A 23 -3.580 0.991 -11.486 1.00 0.85 C ATOM 313 CD ARG A 23 -3.744 2.450 -11.933 1.00 1.67 C ATOM 314 NE ARG A 23 -5.061 2.983 -11.545 1.00 2.51 N ATOM 315 CZ ARG A 23 -5.414 4.277 -11.564 1.00 4.05 C ATOM 316 NH1 ARG A 23 -4.560 5.193 -12.034 1.00 4.93 N ATOM 317 NH2 ARG A 23 -6.619 4.647 -11.112 1.00 5.17 N ATOM 0 H ARG A 23 -1.405 0.561 -9.963 1.00 0.42 H new ATOM 0 HA ARG A 23 -3.093 2.648 -9.342 1.00 0.43 H new ATOM 0 HB2 ARG A 23 -3.768 -0.280 -9.756 1.00 0.49 H new ATOM 0 HB3 ARG A 23 -4.921 1.039 -9.800 1.00 0.49 H new ATOM 0 HG2 ARG A 23 -2.561 0.666 -11.694 1.00 0.85 H new ATOM 0 HG3 ARG A 23 -4.243 0.360 -12.078 1.00 0.85 H new ATOM 0 HD2 ARG A 23 -2.957 3.060 -11.489 1.00 1.67 H new ATOM 0 HD3 ARG A 23 -3.626 2.517 -13.015 1.00 1.67 H new ATOM 0 HE ARG A 23 -5.764 2.312 -11.236 1.00 2.51 H new ATOM 0 HH11 ARG A 23 -3.643 4.907 -12.377 1.00 4.93 H new ATOM 0 HH12 ARG A 23 -4.826 6.178 -12.050 1.00 4.93 H new ATOM 0 HH21 ARG A 23 -7.267 3.945 -10.754 1.00 5.17 H new ATOM 0 HH22 ARG A 23 -6.889 5.631 -11.126 1.00 5.17 H new ATOM 331 N ILE A 24 -3.072 0.286 -6.994 1.00 0.39 N ATOM 332 CA ILE A 24 -3.453 0.095 -5.601 1.00 0.40 C ATOM 333 C ILE A 24 -2.863 1.193 -4.724 1.00 0.42 C ATOM 334 O ILE A 24 -3.628 1.910 -4.099 1.00 0.48 O ATOM 335 CB ILE A 24 -3.263 -1.328 -5.068 1.00 0.39 C ATOM 336 CG1 ILE A 24 -1.833 -1.583 -4.609 1.00 0.41 C ATOM 337 CG2 ILE A 24 -3.794 -2.351 -6.073 1.00 0.49 C ATOM 338 CD1 ILE A 24 -1.525 -3.033 -4.273 1.00 0.49 C ATOM 0 H ILE A 24 -2.567 -0.490 -7.422 1.00 0.39 H new ATOM 0 HA ILE A 24 -4.537 0.204 -5.555 1.00 0.40 H new ATOM 0 HB ILE A 24 -3.862 -1.447 -4.165 1.00 0.39 H new ATOM 0 HG12 ILE A 24 -1.150 -1.252 -5.391 1.00 0.41 H new ATOM 0 HG13 ILE A 24 -1.633 -0.970 -3.730 1.00 0.41 H new ATOM 0 HG21 ILE A 24 -3.651 -3.357 -5.678 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -4.856 -2.176 -6.244 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -3.254 -2.251 -7.014 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -0.486 -3.120 -3.956 1.00 0.49 H new ATOM 0 HD12 ILE A 24 -2.179 -3.367 -3.468 1.00 0.49 H new ATOM 0 HD13 ILE A 24 -1.689 -3.653 -5.154 1.00 0.49 H new ATOM 350 N GLU A 25 -1.543 1.396 -4.720 1.00 0.38 N ATOM 351 CA GLU A 25 -0.918 2.441 -3.913 1.00 0.38 C ATOM 352 C GLU A 25 -1.529 3.822 -4.164 1.00 0.40 C ATOM 353 O GLU A 25 -1.757 4.583 -3.224 1.00 0.42 O ATOM 354 CB GLU A 25 0.603 2.442 -4.120 1.00 0.34 C ATOM 355 CG GLU A 25 1.294 1.631 -3.017 1.00 0.35 C ATOM 356 CD GLU A 25 0.684 0.248 -2.842 1.00 1.14 C ATOM 357 OE1 GLU A 25 0.994 -0.615 -3.687 1.00 2.62 O ATOM 358 OE2 GLU A 25 -0.074 0.085 -1.863 1.00 1.96 O ATOM 0 H GLU A 25 -0.885 0.845 -5.271 1.00 0.38 H new ATOM 0 HA GLU A 25 -1.119 2.211 -2.867 1.00 0.38 H new ATOM 0 HB2 GLU A 25 0.844 2.020 -5.096 1.00 0.34 H new ATOM 0 HB3 GLU A 25 0.976 3.466 -4.115 1.00 0.34 H new ATOM 0 HG2 GLU A 25 2.353 1.530 -3.254 1.00 0.35 H new ATOM 0 HG3 GLU A 25 1.229 2.175 -2.075 1.00 0.35 H new ATOM 365 N LYS A 26 -1.807 4.174 -5.420 1.00 0.41 N ATOM 366 CA LYS A 26 -2.344 5.494 -5.723 1.00 0.44 C ATOM 367 C LYS A 26 -3.787 5.623 -5.215 1.00 0.47 C ATOM 368 O LYS A 26 -4.153 6.647 -4.638 1.00 0.56 O ATOM 369 CB LYS A 26 -2.210 5.844 -7.211 1.00 0.47 C ATOM 370 CG LYS A 26 -0.851 6.489 -7.547 1.00 0.68 C ATOM 371 CD LYS A 26 0.298 5.487 -7.629 1.00 1.19 C ATOM 372 CE LYS A 26 1.551 6.157 -8.214 1.00 1.03 C ATOM 373 NZ LYS A 26 2.699 5.231 -8.300 1.00 2.01 N ATOM 0 H LYS A 26 -1.671 3.571 -6.231 1.00 0.41 H new ATOM 0 HA LYS A 26 -1.744 6.230 -5.189 1.00 0.44 H new ATOM 0 HB2 LYS A 26 -2.336 4.940 -7.806 1.00 0.47 H new ATOM 0 HB3 LYS A 26 -3.012 6.526 -7.494 1.00 0.47 H new ATOM 0 HG2 LYS A 26 -0.933 7.014 -8.499 1.00 0.68 H new ATOM 0 HG3 LYS A 26 -0.616 7.237 -6.790 1.00 0.68 H new ATOM 0 HD2 LYS A 26 0.518 5.094 -6.636 1.00 1.19 H new ATOM 0 HD3 LYS A 26 0.007 4.640 -8.250 1.00 1.19 H new ATOM 0 HE2 LYS A 26 1.323 6.541 -9.208 1.00 1.03 H new ATOM 0 HE3 LYS A 26 1.824 7.013 -7.596 1.00 1.03 H new ATOM 0 HZ1 LYS A 26 3.519 5.730 -8.701 1.00 2.01 H new ATOM 0 HZ2 LYS A 26 2.936 4.883 -7.349 1.00 2.01 H new ATOM 0 HZ3 LYS A 26 2.451 4.427 -8.911 1.00 2.01 H new ATOM 387 N GLY A 27 -4.618 4.598 -5.427 1.00 0.47 N ATOM 388 CA GLY A 27 -5.977 4.573 -4.900 1.00 0.54 C ATOM 389 C GLY A 27 -5.978 4.487 -3.373 1.00 0.53 C ATOM 390 O GLY A 27 -6.850 5.040 -2.708 1.00 0.65 O ATOM 0 H GLY A 27 -4.366 3.769 -5.966 1.00 0.47 H new ATOM 0 HA2 GLY A 27 -6.509 5.470 -5.216 1.00 0.54 H new ATOM 0 HA3 GLY A 27 -6.515 3.721 -5.315 1.00 0.54 H new ATOM 394 N LEU A 28 -4.987 3.801 -2.813 1.00 0.49 N ATOM 395 CA LEU A 28 -4.795 3.632 -1.388 1.00 0.50 C ATOM 396 C LEU A 28 -4.472 5.003 -0.799 1.00 0.49 C ATOM 397 O LEU A 28 -5.093 5.400 0.179 1.00 0.59 O ATOM 398 CB LEU A 28 -3.723 2.548 -1.164 1.00 0.53 C ATOM 399 CG LEU A 28 -3.308 2.188 0.269 1.00 0.50 C ATOM 400 CD1 LEU A 28 -2.403 3.256 0.883 1.00 2.26 C ATOM 401 CD2 LEU A 28 -4.514 1.886 1.153 1.00 1.97 C ATOM 0 H LEU A 28 -4.271 3.331 -3.367 1.00 0.49 H new ATOM 0 HA LEU A 28 -5.684 3.275 -0.868 1.00 0.50 H new ATOM 0 HB2 LEU A 28 -4.076 1.634 -1.642 1.00 0.53 H new ATOM 0 HB3 LEU A 28 -2.825 2.860 -1.697 1.00 0.53 H new ATOM 0 HG LEU A 28 -2.723 1.270 0.210 1.00 0.50 H new ATOM 0 HD11 LEU A 28 -2.132 2.964 1.897 1.00 2.26 H new ATOM 0 HD12 LEU A 28 -1.500 3.358 0.281 1.00 2.26 H new ATOM 0 HD13 LEU A 28 -2.931 4.209 0.909 1.00 2.26 H new ATOM 0 HD21 LEU A 28 -4.175 1.636 2.158 1.00 1.97 H new ATOM 0 HD22 LEU A 28 -5.162 2.761 1.196 1.00 1.97 H new ATOM 0 HD23 LEU A 28 -5.068 1.044 0.737 1.00 1.97 H new ATOM 413 N LYS A 29 -3.566 5.772 -1.416 1.00 0.40 N ATOM 414 CA LYS A 29 -3.239 7.125 -0.969 1.00 0.39 C ATOM 415 C LYS A 29 -4.491 7.982 -0.733 1.00 0.40 C ATOM 416 O LYS A 29 -4.503 8.821 0.160 1.00 0.55 O ATOM 417 CB LYS A 29 -2.307 7.818 -1.976 1.00 0.43 C ATOM 418 CG LYS A 29 -1.598 9.010 -1.316 1.00 0.61 C ATOM 419 CD LYS A 29 -1.117 10.062 -2.325 1.00 0.75 C ATOM 420 CE LYS A 29 -0.136 9.504 -3.367 1.00 2.03 C ATOM 421 NZ LYS A 29 0.854 10.516 -3.796 1.00 3.25 N ATOM 0 H LYS A 29 -3.042 5.471 -2.238 1.00 0.40 H new ATOM 0 HA LYS A 29 -2.726 7.026 -0.012 1.00 0.39 H new ATOM 0 HB2 LYS A 29 -1.569 7.107 -2.347 1.00 0.43 H new ATOM 0 HB3 LYS A 29 -2.881 8.159 -2.837 1.00 0.43 H new ATOM 0 HG2 LYS A 29 -2.278 9.481 -0.606 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -0.744 8.646 -0.746 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -1.981 10.483 -2.839 1.00 0.75 H new ATOM 0 HD3 LYS A 29 -0.637 10.879 -1.786 1.00 0.75 H new ATOM 0 HE2 LYS A 29 0.385 8.642 -2.949 1.00 2.03 H new ATOM 0 HE3 LYS A 29 -0.692 9.150 -4.235 1.00 2.03 H new ATOM 0 HZ1 LYS A 29 0.703 10.746 -4.799 1.00 3.25 H new ATOM 0 HZ2 LYS A 29 0.742 11.376 -3.222 1.00 3.25 H new ATOM 0 HZ3 LYS A 29 1.814 10.138 -3.669 1.00 3.25 H new ATOM 435 N ARG A 30 -5.539 7.790 -1.539 1.00 0.46 N ATOM 436 CA ARG A 30 -6.789 8.535 -1.411 1.00 0.48 C ATOM 437 C ARG A 30 -7.466 8.351 -0.037 1.00 0.48 C ATOM 438 O ARG A 30 -8.332 9.146 0.321 1.00 0.57 O ATOM 439 CB ARG A 30 -7.755 8.125 -2.543 1.00 0.47 C ATOM 440 CG ARG A 30 -8.159 9.270 -3.482 1.00 0.77 C ATOM 441 CD ARG A 30 -7.161 9.443 -4.636 1.00 2.27 C ATOM 442 NE ARG A 30 -7.725 10.321 -5.674 1.00 2.33 N ATOM 443 CZ ARG A 30 -7.321 10.371 -6.955 1.00 3.68 C ATOM 444 NH1 ARG A 30 -6.226 9.702 -7.335 1.00 5.37 N ATOM 445 NH2 ARG A 30 -8.018 11.083 -7.849 1.00 3.85 N ATOM 0 H ARG A 30 -5.542 7.111 -2.300 1.00 0.46 H new ATOM 0 HA ARG A 30 -6.542 9.593 -1.493 1.00 0.48 H new ATOM 0 HB2 ARG A 30 -7.289 7.336 -3.133 1.00 0.47 H new ATOM 0 HB3 ARG A 30 -8.656 7.701 -2.099 1.00 0.47 H new ATOM 0 HG2 ARG A 30 -9.152 9.074 -3.887 1.00 0.77 H new ATOM 0 HG3 ARG A 30 -8.223 10.199 -2.915 1.00 0.77 H new ATOM 0 HD2 ARG A 30 -6.230 9.866 -4.260 1.00 2.27 H new ATOM 0 HD3 ARG A 30 -6.919 8.471 -5.065 1.00 2.27 H new ATOM 0 HE ARG A 30 -8.485 10.943 -5.398 1.00 2.33 H new ATOM 0 HH11 ARG A 30 -5.700 9.156 -6.653 1.00 5.37 H new ATOM 0 HH12 ARG A 30 -5.918 9.738 -8.307 1.00 5.37 H new ATOM 0 HH21 ARG A 30 -8.855 11.587 -7.558 1.00 3.85 H new ATOM 0 HH22 ARG A 30 -7.712 11.121 -8.821 1.00 3.85 H new ATOM 459 N MET A 31 -7.145 7.280 0.697 1.00 0.52 N ATOM 460 CA MET A 31 -7.801 6.924 1.951 1.00 0.57 C ATOM 461 C MET A 31 -7.481 7.929 3.073 1.00 0.53 C ATOM 462 O MET A 31 -6.458 8.610 3.011 1.00 0.50 O ATOM 463 CB MET A 31 -7.378 5.494 2.316 1.00 0.68 C ATOM 464 CG MET A 31 -5.972 5.425 2.913 1.00 1.83 C ATOM 465 SD MET A 31 -5.931 5.027 4.667 1.00 3.72 S ATOM 466 CE MET A 31 -5.386 3.314 4.515 1.00 4.31 C ATOM 0 H MET A 31 -6.409 6.628 0.428 1.00 0.52 H new ATOM 0 HA MET A 31 -8.883 6.964 1.827 1.00 0.57 H new ATOM 0 HB2 MET A 31 -8.091 5.080 3.029 1.00 0.68 H new ATOM 0 HB3 MET A 31 -7.420 4.869 1.424 1.00 0.68 H new ATOM 0 HG2 MET A 31 -5.395 4.677 2.369 1.00 1.83 H new ATOM 0 HG3 MET A 31 -5.477 6.384 2.758 1.00 1.83 H new ATOM 0 HE1 MET A 31 -4.991 2.972 5.472 1.00 4.31 H new ATOM 0 HE2 MET A 31 -6.230 2.688 4.226 1.00 4.31 H new ATOM 0 HE3 MET A 31 -4.607 3.246 3.756 1.00 4.31 H new ATOM 476 N PRO A 32 -8.303 8.012 4.130 1.00 0.62 N ATOM 477 CA PRO A 32 -8.011 8.873 5.263 1.00 0.66 C ATOM 478 C PRO A 32 -6.872 8.270 6.089 1.00 0.72 C ATOM 479 O PRO A 32 -7.016 7.194 6.664 1.00 1.04 O ATOM 480 CB PRO A 32 -9.310 8.954 6.061 1.00 0.82 C ATOM 481 CG PRO A 32 -9.970 7.608 5.777 1.00 0.85 C ATOM 482 CD PRO A 32 -9.548 7.290 4.342 1.00 0.76 C ATOM 0 HA PRO A 32 -7.683 9.868 4.962 1.00 0.66 H new ATOM 0 HB2 PRO A 32 -9.122 9.095 7.125 1.00 0.82 H new ATOM 0 HB3 PRO A 32 -9.933 9.786 5.734 1.00 0.82 H new ATOM 0 HG2 PRO A 32 -9.630 6.841 6.473 1.00 0.85 H new ATOM 0 HG3 PRO A 32 -11.054 7.666 5.871 1.00 0.85 H new ATOM 0 HD2 PRO A 32 -9.408 6.218 4.203 1.00 0.76 H new ATOM 0 HD3 PRO A 32 -10.310 7.606 3.630 1.00 0.76 H new ATOM 490 N GLY A 33 -5.743 8.975 6.138 1.00 0.80 N ATOM 491 CA GLY A 33 -4.605 8.649 6.992 1.00 0.77 C ATOM 492 C GLY A 33 -3.307 8.492 6.200 1.00 0.59 C ATOM 493 O GLY A 33 -2.240 8.878 6.684 1.00 0.59 O ATOM 0 H GLY A 33 -5.592 9.809 5.571 1.00 0.80 H new ATOM 0 HA2 GLY A 33 -4.479 9.433 7.739 1.00 0.77 H new ATOM 0 HA3 GLY A 33 -4.812 7.725 7.531 1.00 0.77 H new ATOM 497 N VAL A 34 -3.375 7.930 4.985 1.00 0.60 N ATOM 498 CA VAL A 34 -2.199 7.871 4.124 1.00 0.42 C ATOM 499 C VAL A 34 -2.010 9.224 3.438 1.00 0.41 C ATOM 500 O VAL A 34 -2.989 9.877 3.087 1.00 0.61 O ATOM 501 CB VAL A 34 -2.302 6.692 3.144 1.00 0.49 C ATOM 502 CG1 VAL A 34 -1.064 6.607 2.240 1.00 0.36 C ATOM 503 CG2 VAL A 34 -2.432 5.368 3.913 1.00 0.72 C ATOM 0 H VAL A 34 -4.219 7.518 4.587 1.00 0.60 H new ATOM 0 HA VAL A 34 -1.304 7.682 4.717 1.00 0.42 H new ATOM 0 HB VAL A 34 -3.186 6.860 2.528 1.00 0.49 H new ATOM 0 HG11 VAL A 34 -1.168 5.763 1.559 1.00 0.36 H new ATOM 0 HG12 VAL A 34 -0.970 7.528 1.665 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.174 6.470 2.854 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.504 4.542 3.206 1.00 0.72 H new ATOM 0 HG22 VAL A 34 -1.556 5.228 4.547 1.00 0.72 H new ATOM 0 HG23 VAL A 34 -3.328 5.394 4.533 1.00 0.72 H new ATOM 513 N THR A 35 -0.757 9.662 3.273 1.00 0.34 N ATOM 514 CA THR A 35 -0.433 10.969 2.712 1.00 0.37 C ATOM 515 C THR A 35 0.309 10.825 1.387 1.00 0.34 C ATOM 516 O THR A 35 0.004 11.550 0.442 1.00 0.47 O ATOM 517 CB THR A 35 0.367 11.791 3.715 1.00 0.47 C ATOM 518 OG1 THR A 35 -0.131 11.573 5.020 1.00 1.69 O ATOM 519 CG2 THR A 35 0.335 13.286 3.374 1.00 1.48 C ATOM 0 H THR A 35 0.063 9.112 3.528 1.00 0.34 H new ATOM 0 HA THR A 35 -1.363 11.500 2.507 1.00 0.37 H new ATOM 0 HB THR A 35 1.406 11.466 3.666 1.00 0.47 H new ATOM 0 HG1 THR A 35 0.388 12.102 5.661 1.00 1.69 H new ATOM 0 HG21 THR A 35 0.916 13.840 4.111 1.00 1.48 H new ATOM 0 HG22 THR A 35 0.762 13.442 2.383 1.00 1.48 H new ATOM 0 HG23 THR A 35 -0.696 13.640 3.385 1.00 1.48 H new ATOM 527 N ASP A 36 1.256 9.882 1.300 1.00 0.29 N ATOM 528 CA ASP A 36 1.886 9.488 0.053 1.00 0.33 C ATOM 529 C ASP A 36 2.012 7.975 -0.020 1.00 0.27 C ATOM 530 O ASP A 36 1.795 7.280 0.969 1.00 0.28 O ATOM 531 CB ASP A 36 3.207 10.221 -0.219 1.00 0.46 C ATOM 532 CG ASP A 36 3.232 10.627 -1.678 1.00 0.82 C ATOM 533 OD1 ASP A 36 2.949 9.733 -2.509 1.00 2.04 O ATOM 534 OD2 ASP A 36 3.325 11.830 -1.980 1.00 1.53 O ATOM 0 H ASP A 36 1.604 9.370 2.110 1.00 0.29 H new ATOM 0 HA ASP A 36 1.232 9.804 -0.760 1.00 0.33 H new ATOM 0 HB2 ASP A 36 3.293 11.099 0.421 1.00 0.46 H new ATOM 0 HB3 ASP A 36 4.054 9.575 0.010 1.00 0.46 H new ATOM 539 N ALA A 37 2.298 7.455 -1.210 1.00 0.32 N ATOM 540 CA ALA A 37 2.400 6.023 -1.438 1.00 0.32 C ATOM 541 C ALA A 37 3.214 5.720 -2.686 1.00 0.37 C ATOM 542 O ALA A 37 3.127 6.447 -3.676 1.00 0.46 O ATOM 543 CB ALA A 37 1.005 5.402 -1.507 1.00 0.44 C ATOM 0 H ALA A 37 2.465 8.019 -2.043 1.00 0.32 H new ATOM 0 HA ALA A 37 2.930 5.573 -0.598 1.00 0.32 H new ATOM 0 HB1 ALA A 37 1.092 4.329 -1.678 1.00 0.44 H new ATOM 0 HB2 ALA A 37 0.481 5.578 -0.567 1.00 0.44 H new ATOM 0 HB3 ALA A 37 0.445 5.855 -2.325 1.00 0.44 H new ATOM 549 N ASN A 38 4.013 4.650 -2.645 1.00 0.31 N ATOM 550 CA ASN A 38 5.029 4.395 -3.645 1.00 0.33 C ATOM 551 C ASN A 38 5.262 2.896 -3.640 1.00 0.30 C ATOM 552 O ASN A 38 5.871 2.358 -2.715 1.00 0.33 O ATOM 553 CB ASN A 38 6.354 5.144 -3.369 1.00 0.35 C ATOM 554 CG ASN A 38 6.432 5.943 -2.069 1.00 0.32 C ATOM 555 OD1 ASN A 38 6.724 7.133 -2.084 1.00 0.43 O ATOM 556 ND2 ASN A 38 6.189 5.306 -0.928 1.00 0.31 N ATOM 0 H ASN A 38 3.966 3.941 -1.913 1.00 0.31 H new ATOM 0 HA ASN A 38 4.686 4.759 -4.614 1.00 0.33 H new ATOM 0 HB2 ASN A 38 7.164 4.414 -3.369 1.00 0.35 H new ATOM 0 HB3 ASN A 38 6.539 5.826 -4.199 1.00 0.35 H new ATOM 0 HD21 ASN A 38 6.244 5.808 -0.042 1.00 0.31 H new ATOM 0 HD22 ASN A 38 5.948 4.315 -0.939 1.00 0.31 H new ATOM 563 N VAL A 39 4.791 2.219 -4.684 1.00 0.32 N ATOM 564 CA VAL A 39 5.071 0.806 -4.831 1.00 0.29 C ATOM 565 C VAL A 39 6.484 0.671 -5.403 1.00 0.34 C ATOM 566 O VAL A 39 6.846 1.421 -6.308 1.00 0.84 O ATOM 567 CB VAL A 39 3.986 0.154 -5.704 1.00 0.30 C ATOM 568 CG1 VAL A 39 4.171 0.425 -7.204 1.00 0.49 C ATOM 569 CG2 VAL A 39 3.916 -1.350 -5.432 1.00 0.49 C ATOM 0 H VAL A 39 4.222 2.625 -5.427 1.00 0.32 H new ATOM 0 HA VAL A 39 5.043 0.279 -3.877 1.00 0.29 H new ATOM 0 HB VAL A 39 3.040 0.618 -5.424 1.00 0.30 H new ATOM 0 HG11 VAL A 39 3.373 -0.063 -7.763 1.00 0.49 H new ATOM 0 HG12 VAL A 39 4.138 1.499 -7.386 1.00 0.49 H new ATOM 0 HG13 VAL A 39 5.134 0.031 -7.529 1.00 0.49 H new ATOM 0 HG21 VAL A 39 3.143 -1.797 -6.057 1.00 0.49 H new ATOM 0 HG22 VAL A 39 4.879 -1.807 -5.662 1.00 0.49 H new ATOM 0 HG23 VAL A 39 3.676 -1.519 -4.382 1.00 0.49 H new ATOM 579 N ASN A 40 7.295 -0.245 -4.865 1.00 0.34 N ATOM 580 CA ASN A 40 8.663 -0.472 -5.314 1.00 0.34 C ATOM 581 C ASN A 40 8.782 -1.935 -5.735 1.00 0.27 C ATOM 582 O ASN A 40 9.637 -2.697 -5.274 1.00 0.23 O ATOM 583 CB ASN A 40 9.638 -0.078 -4.198 1.00 0.38 C ATOM 584 CG ASN A 40 11.081 -0.035 -4.689 1.00 0.51 C ATOM 585 OD1 ASN A 40 11.375 -0.356 -5.836 1.00 0.62 O ATOM 586 ND2 ASN A 40 12.005 0.371 -3.822 1.00 0.80 N ATOM 0 H ASN A 40 7.012 -0.854 -4.097 1.00 0.34 H new ATOM 0 HA ASN A 40 8.918 0.146 -6.175 1.00 0.34 H new ATOM 0 HB2 ASN A 40 9.360 0.899 -3.802 1.00 0.38 H new ATOM 0 HB3 ASN A 40 9.556 -0.790 -3.377 1.00 0.38 H new ATOM 0 HD21 ASN A 40 12.984 0.421 -4.106 1.00 0.80 H new ATOM 0 HD22 ASN A 40 11.735 0.633 -2.874 1.00 0.80 H new ATOM 593 N LEU A 41 7.902 -2.309 -6.667 1.00 0.36 N ATOM 594 CA LEU A 41 7.834 -3.646 -7.238 1.00 0.37 C ATOM 595 C LEU A 41 9.108 -3.959 -8.022 1.00 0.40 C ATOM 596 O LEU A 41 9.453 -5.125 -8.183 1.00 0.46 O ATOM 597 CB LEU A 41 6.559 -3.790 -8.087 1.00 0.48 C ATOM 598 CG LEU A 41 5.482 -4.702 -7.471 1.00 0.58 C ATOM 599 CD1 LEU A 41 5.756 -6.180 -7.766 1.00 0.95 C ATOM 600 CD2 LEU A 41 5.296 -4.513 -5.960 1.00 0.97 C ATOM 0 H LEU A 41 7.203 -1.672 -7.051 1.00 0.36 H new ATOM 0 HA LEU A 41 7.773 -4.384 -6.438 1.00 0.37 H new ATOM 0 HB2 LEU A 41 6.131 -2.801 -8.248 1.00 0.48 H new ATOM 0 HB3 LEU A 41 6.832 -4.182 -9.067 1.00 0.48 H new ATOM 0 HG LEU A 41 4.553 -4.396 -7.952 1.00 0.58 H new ATOM 0 HD11 LEU A 41 4.975 -6.792 -7.315 1.00 0.95 H new ATOM 0 HD12 LEU A 41 5.766 -6.340 -8.844 1.00 0.95 H new ATOM 0 HD13 LEU A 41 6.723 -6.461 -7.349 1.00 0.95 H new ATOM 0 HD21 LEU A 41 4.521 -5.190 -5.601 1.00 0.97 H new ATOM 0 HD22 LEU A 41 6.233 -4.731 -5.448 1.00 0.97 H new ATOM 0 HD23 LEU A 41 5.001 -3.484 -5.756 1.00 0.97 H new ATOM 612 N ALA A 42 9.857 -2.929 -8.427 1.00 0.41 N ATOM 613 CA ALA A 42 11.214 -3.085 -8.933 1.00 0.45 C ATOM 614 C ALA A 42 12.081 -3.943 -8.005 1.00 0.44 C ATOM 615 O ALA A 42 12.899 -4.711 -8.502 1.00 0.55 O ATOM 616 CB ALA A 42 11.861 -1.715 -9.128 1.00 0.54 C ATOM 0 H ALA A 42 9.533 -1.962 -8.411 1.00 0.41 H new ATOM 0 HA ALA A 42 11.147 -3.601 -9.891 1.00 0.45 H new ATOM 0 HB1 ALA A 42 12.875 -1.842 -9.506 1.00 0.54 H new ATOM 0 HB2 ALA A 42 11.277 -1.135 -9.843 1.00 0.54 H new ATOM 0 HB3 ALA A 42 11.893 -1.189 -8.174 1.00 0.54 H new ATOM 622 N THR A 43 11.912 -3.819 -6.680 1.00 0.43 N ATOM 623 CA THR A 43 12.554 -4.717 -5.720 1.00 0.60 C ATOM 624 C THR A 43 11.516 -5.560 -4.969 1.00 0.68 C ATOM 625 O THR A 43 11.799 -6.050 -3.878 1.00 1.26 O ATOM 626 CB THR A 43 13.500 -3.947 -4.786 1.00 0.74 C ATOM 627 OG1 THR A 43 14.280 -4.855 -4.038 1.00 0.89 O ATOM 628 CG2 THR A 43 12.777 -3.026 -3.802 1.00 0.75 C ATOM 0 H THR A 43 11.331 -3.099 -6.251 1.00 0.43 H new ATOM 0 HA THR A 43 13.177 -5.422 -6.270 1.00 0.60 H new ATOM 0 HB THR A 43 14.115 -3.324 -5.435 1.00 0.74 H new ATOM 0 HG1 THR A 43 13.704 -5.560 -3.675 1.00 0.89 H new ATOM 0 HG21 THR A 43 13.509 -2.516 -3.176 1.00 0.75 H new ATOM 0 HG22 THR A 43 12.195 -2.288 -4.355 1.00 0.75 H new ATOM 0 HG23 THR A 43 12.111 -3.617 -3.173 1.00 0.75 H new ATOM 636 N GLU A 44 10.334 -5.746 -5.566 1.00 0.36 N ATOM 637 CA GLU A 44 9.258 -6.591 -5.072 1.00 0.36 C ATOM 638 C GLU A 44 8.628 -6.110 -3.752 1.00 0.38 C ATOM 639 O GLU A 44 7.954 -6.896 -3.090 1.00 0.75 O ATOM 640 CB GLU A 44 9.724 -8.062 -5.060 1.00 0.50 C ATOM 641 CG GLU A 44 8.886 -8.923 -6.013 1.00 0.79 C ATOM 642 CD GLU A 44 9.490 -10.312 -6.173 1.00 1.58 C ATOM 643 OE1 GLU A 44 9.537 -11.028 -5.149 1.00 2.63 O ATOM 644 OE2 GLU A 44 9.901 -10.626 -7.309 1.00 2.70 O ATOM 0 H GLU A 44 10.097 -5.288 -6.446 1.00 0.36 H new ATOM 0 HA GLU A 44 8.422 -6.512 -5.767 1.00 0.36 H new ATOM 0 HB2 GLU A 44 10.774 -8.115 -5.348 1.00 0.50 H new ATOM 0 HB3 GLU A 44 9.651 -8.460 -4.048 1.00 0.50 H new ATOM 0 HG2 GLU A 44 7.868 -9.007 -5.632 1.00 0.79 H new ATOM 0 HG3 GLU A 44 8.822 -8.437 -6.986 1.00 0.79 H new ATOM 651 N THR A 45 8.782 -4.831 -3.384 1.00 0.26 N ATOM 652 CA THR A 45 8.362 -4.281 -2.100 1.00 0.24 C ATOM 653 C THR A 45 7.373 -3.124 -2.327 1.00 0.20 C ATOM 654 O THR A 45 7.275 -2.597 -3.434 1.00 0.24 O ATOM 655 CB THR A 45 9.649 -3.834 -1.387 1.00 0.35 C ATOM 656 OG1 THR A 45 10.585 -4.891 -1.383 1.00 0.67 O ATOM 657 CG2 THR A 45 9.454 -3.413 0.063 1.00 0.52 C ATOM 0 H THR A 45 9.215 -4.136 -3.992 1.00 0.26 H new ATOM 0 HA THR A 45 7.835 -5.009 -1.483 1.00 0.24 H new ATOM 0 HB THR A 45 9.993 -2.965 -1.947 1.00 0.35 H new ATOM 0 HG1 THR A 45 10.162 -5.702 -1.031 1.00 0.67 H new ATOM 0 HG21 THR A 45 10.413 -3.114 0.487 1.00 0.52 H new ATOM 0 HG22 THR A 45 8.759 -2.574 0.108 1.00 0.52 H new ATOM 0 HG23 THR A 45 9.050 -4.249 0.634 1.00 0.52 H new ATOM 665 N VAL A 46 6.632 -2.700 -1.300 1.00 0.22 N ATOM 666 CA VAL A 46 5.769 -1.518 -1.348 1.00 0.20 C ATOM 667 C VAL A 46 6.081 -0.610 -0.161 1.00 0.21 C ATOM 668 O VAL A 46 6.425 -1.128 0.904 1.00 0.23 O ATOM 669 CB VAL A 46 4.292 -1.948 -1.391 1.00 0.24 C ATOM 670 CG1 VAL A 46 3.885 -2.842 -0.217 1.00 0.37 C ATOM 671 CG2 VAL A 46 3.339 -0.755 -1.381 1.00 0.33 C ATOM 0 H VAL A 46 6.615 -3.176 -0.398 1.00 0.22 H new ATOM 0 HA VAL A 46 5.962 -0.947 -2.256 1.00 0.20 H new ATOM 0 HB VAL A 46 4.211 -2.504 -2.325 1.00 0.24 H new ATOM 0 HG11 VAL A 46 2.832 -3.108 -0.310 1.00 0.37 H new ATOM 0 HG12 VAL A 46 4.490 -3.749 -0.223 1.00 0.37 H new ATOM 0 HG13 VAL A 46 4.043 -2.307 0.719 1.00 0.37 H new ATOM 0 HG21 VAL A 46 2.309 -1.111 -1.412 1.00 0.33 H new ATOM 0 HG22 VAL A 46 3.494 -0.173 -0.472 1.00 0.33 H new ATOM 0 HG23 VAL A 46 3.532 -0.128 -2.251 1.00 0.33 H new ATOM 681 N ASN A 47 5.964 0.719 -0.335 1.00 0.22 N ATOM 682 CA ASN A 47 6.143 1.688 0.736 1.00 0.25 C ATOM 683 C ASN A 47 4.937 2.623 0.726 1.00 0.26 C ATOM 684 O ASN A 47 4.536 3.082 -0.344 1.00 0.31 O ATOM 685 CB ASN A 47 7.405 2.528 0.496 1.00 0.30 C ATOM 686 CG ASN A 47 8.703 1.815 0.847 1.00 0.33 C ATOM 687 OD1 ASN A 47 9.478 1.447 -0.031 1.00 0.36 O ATOM 688 ND2 ASN A 47 8.978 1.667 2.137 1.00 0.36 N ATOM 0 H ASN A 47 5.740 1.144 -1.235 1.00 0.22 H new ATOM 0 HA ASN A 47 6.239 1.165 1.687 1.00 0.25 H new ATOM 0 HB2 ASN A 47 7.438 2.823 -0.553 1.00 0.30 H new ATOM 0 HB3 ASN A 47 7.336 3.444 1.083 1.00 0.30 H new ATOM 0 HD21 ASN A 47 9.856 1.236 2.425 1.00 0.36 H new ATOM 0 HD22 ASN A 47 8.311 1.984 2.840 1.00 0.36 H new ATOM 695 N VAL A 48 4.380 2.950 1.893 1.00 0.29 N ATOM 696 CA VAL A 48 3.243 3.825 2.048 1.00 0.30 C ATOM 697 C VAL A 48 3.650 4.824 3.124 1.00 0.26 C ATOM 698 O VAL A 48 4.187 4.424 4.159 1.00 0.27 O ATOM 699 CB VAL A 48 2.003 3.016 2.438 1.00 0.35 C ATOM 700 CG1 VAL A 48 1.294 2.451 1.205 1.00 2.40 C ATOM 701 CG2 VAL A 48 2.327 1.853 3.373 1.00 2.20 C ATOM 0 H VAL A 48 4.730 2.593 2.782 1.00 0.29 H new ATOM 0 HA VAL A 48 2.978 4.343 1.126 1.00 0.30 H new ATOM 0 HB VAL A 48 1.352 3.718 2.960 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.418 1.882 1.518 1.00 2.40 H new ATOM 0 HG12 VAL A 48 0.982 3.270 0.557 1.00 2.40 H new ATOM 0 HG13 VAL A 48 1.976 1.797 0.661 1.00 2.40 H new ATOM 0 HG21 VAL A 48 1.411 1.315 3.616 1.00 2.20 H new ATOM 0 HG22 VAL A 48 3.026 1.176 2.882 1.00 2.20 H new ATOM 0 HG23 VAL A 48 2.776 2.237 4.289 1.00 2.20 H new ATOM 711 N ILE A 49 3.460 6.110 2.829 1.00 0.26 N ATOM 712 CA ILE A 49 3.881 7.221 3.655 1.00 0.25 C ATOM 713 C ILE A 49 2.617 7.736 4.348 1.00 0.22 C ATOM 714 O ILE A 49 1.802 8.435 3.734 1.00 0.26 O ATOM 715 CB ILE A 49 4.535 8.310 2.780 1.00 0.32 C ATOM 716 CG1 ILE A 49 5.495 7.767 1.702 1.00 0.47 C ATOM 717 CG2 ILE A 49 5.204 9.390 3.648 1.00 0.36 C ATOM 718 CD1 ILE A 49 6.606 6.863 2.244 1.00 0.36 C ATOM 0 H ILE A 49 2.990 6.408 1.974 1.00 0.26 H new ATOM 0 HA ILE A 49 4.627 6.925 4.393 1.00 0.25 H new ATOM 0 HB ILE A 49 3.719 8.769 2.223 1.00 0.32 H new ATOM 0 HG12 ILE A 49 4.917 7.210 0.965 1.00 0.47 H new ATOM 0 HG13 ILE A 49 5.950 8.609 1.180 1.00 0.47 H new ATOM 0 HG21 ILE A 49 5.657 10.145 3.005 1.00 0.36 H new ATOM 0 HG22 ILE A 49 4.455 9.859 4.286 1.00 0.36 H new ATOM 0 HG23 ILE A 49 5.975 8.932 4.268 1.00 0.36 H new ATOM 0 HD11 ILE A 49 7.235 6.525 1.420 1.00 0.36 H new ATOM 0 HD12 ILE A 49 7.212 7.420 2.959 1.00 0.36 H new ATOM 0 HD13 ILE A 49 6.163 5.999 2.740 1.00 0.36 H new ATOM 730 N TYR A 50 2.405 7.343 5.604 1.00 0.22 N ATOM 731 CA TYR A 50 1.152 7.607 6.299 1.00 0.21 C ATOM 732 C TYR A 50 1.406 8.085 7.709 1.00 0.21 C ATOM 733 O TYR A 50 2.545 8.035 8.165 1.00 0.25 O ATOM 734 CB TYR A 50 0.268 6.359 6.282 1.00 0.20 C ATOM 735 CG TYR A 50 0.793 5.118 6.975 1.00 0.24 C ATOM 736 CD1 TYR A 50 0.614 4.963 8.360 1.00 1.57 C ATOM 737 CD2 TYR A 50 1.254 4.029 6.213 1.00 1.61 C ATOM 738 CE1 TYR A 50 0.927 3.745 8.980 1.00 1.57 C ATOM 739 CE2 TYR A 50 1.467 2.780 6.821 1.00 1.66 C ATOM 740 CZ TYR A 50 1.294 2.636 8.205 1.00 0.48 C ATOM 741 OH TYR A 50 1.487 1.424 8.801 1.00 0.65 O ATOM 0 H TYR A 50 3.093 6.837 6.162 1.00 0.22 H new ATOM 0 HA TYR A 50 0.624 8.405 5.777 1.00 0.21 H new ATOM 0 HB2 TYR A 50 -0.688 6.618 6.736 1.00 0.20 H new ATOM 0 HB3 TYR A 50 0.068 6.103 5.242 1.00 0.20 H new ATOM 0 HD1 TYR A 50 0.234 5.785 8.949 1.00 1.57 H new ATOM 0 HD2 TYR A 50 1.445 4.153 5.157 1.00 1.61 H new ATOM 0 HE1 TYR A 50 0.885 3.661 10.056 1.00 1.57 H new ATOM 0 HE2 TYR A 50 1.764 1.931 6.222 1.00 1.66 H new ATOM 0 HH TYR A 50 1.736 0.762 8.123 1.00 0.65 H new ATOM 751 N ASP A 51 0.348 8.556 8.370 1.00 0.23 N ATOM 752 CA ASP A 51 0.405 8.957 9.770 1.00 0.27 C ATOM 753 C ASP A 51 0.059 7.756 10.652 1.00 0.29 C ATOM 754 O ASP A 51 -1.118 7.398 10.744 1.00 0.35 O ATOM 755 CB ASP A 51 -0.552 10.123 10.044 1.00 0.42 C ATOM 756 CG ASP A 51 -0.657 10.436 11.537 1.00 1.90 C ATOM 757 OD1 ASP A 51 0.154 9.880 12.312 1.00 3.02 O ATOM 758 OD2 ASP A 51 -1.566 11.212 11.898 1.00 2.62 O ATOM 0 H ASP A 51 -0.573 8.669 7.946 1.00 0.23 H new ATOM 0 HA ASP A 51 1.414 9.297 10.003 1.00 0.27 H new ATOM 0 HB2 ASP A 51 -0.207 11.009 9.511 1.00 0.42 H new ATOM 0 HB3 ASP A 51 -1.540 9.881 9.653 1.00 0.42 H new ATOM 763 N PRO A 52 1.039 7.130 11.324 1.00 0.37 N ATOM 764 CA PRO A 52 0.795 5.955 12.138 1.00 0.46 C ATOM 765 C PRO A 52 0.113 6.299 13.471 1.00 0.59 C ATOM 766 O PRO A 52 -0.006 5.422 14.324 1.00 0.69 O ATOM 767 CB PRO A 52 2.170 5.312 12.339 1.00 0.61 C ATOM 768 CG PRO A 52 3.072 6.545 12.402 1.00 0.63 C ATOM 769 CD PRO A 52 2.442 7.500 11.391 1.00 0.43 C ATOM 0 HA PRO A 52 0.101 5.270 11.650 1.00 0.46 H new ATOM 0 HB2 PRO A 52 2.217 4.721 13.254 1.00 0.61 H new ATOM 0 HB3 PRO A 52 2.438 4.649 11.517 1.00 0.61 H new ATOM 0 HG2 PRO A 52 3.093 6.976 13.403 1.00 0.63 H new ATOM 0 HG3 PRO A 52 4.101 6.303 12.138 1.00 0.63 H new ATOM 0 HD2 PRO A 52 2.559 8.537 11.706 1.00 0.43 H new ATOM 0 HD3 PRO A 52 2.919 7.408 10.415 1.00 0.43 H new ATOM 777 N ALA A 53 -0.331 7.548 13.679 1.00 0.64 N ATOM 778 CA ALA A 53 -1.215 7.896 14.773 1.00 0.81 C ATOM 779 C ALA A 53 -2.659 7.699 14.324 1.00 0.76 C ATOM 780 O ALA A 53 -3.516 7.432 15.166 1.00 0.92 O ATOM 781 CB ALA A 53 -0.977 9.349 15.194 1.00 0.97 C ATOM 0 H ALA A 53 -0.080 8.338 13.085 1.00 0.64 H new ATOM 0 HA ALA A 53 -1.014 7.254 15.631 1.00 0.81 H new ATOM 0 HB1 ALA A 53 -1.645 9.603 16.017 1.00 0.97 H new ATOM 0 HB2 ALA A 53 0.057 9.470 15.516 1.00 0.97 H new ATOM 0 HB3 ALA A 53 -1.174 10.009 14.349 1.00 0.97 H new ATOM 787 N GLU A 54 -2.931 7.841 13.016 1.00 0.61 N ATOM 788 CA GLU A 54 -4.276 7.743 12.472 1.00 0.66 C ATOM 789 C GLU A 54 -4.443 6.376 11.810 1.00 0.66 C ATOM 790 O GLU A 54 -5.299 5.578 12.188 1.00 0.81 O ATOM 791 CB GLU A 54 -4.561 8.901 11.494 1.00 0.66 C ATOM 792 CG GLU A 54 -5.912 9.558 11.817 1.00 0.91 C ATOM 793 CD GLU A 54 -6.397 10.511 10.729 1.00 1.35 C ATOM 794 OE1 GLU A 54 -5.631 10.743 9.769 1.00 2.42 O ATOM 795 OE2 GLU A 54 -7.549 10.976 10.869 1.00 2.19 O ATOM 0 H GLU A 54 -2.216 8.027 12.313 1.00 0.61 H new ATOM 0 HA GLU A 54 -5.007 7.832 13.276 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -3.765 9.643 11.557 1.00 0.66 H new ATOM 0 HB3 GLU A 54 -4.567 8.527 10.470 1.00 0.66 H new ATOM 0 HG2 GLU A 54 -6.660 8.779 11.967 1.00 0.91 H new ATOM 0 HG3 GLU A 54 -5.827 10.104 12.757 1.00 0.91 H new ATOM 802 N THR A 55 -3.588 6.119 10.821 1.00 0.51 N ATOM 803 CA THR A 55 -3.361 4.817 10.226 1.00 0.41 C ATOM 804 C THR A 55 -2.325 3.976 10.951 1.00 0.39 C ATOM 805 O THR A 55 -1.918 4.252 12.074 1.00 0.53 O ATOM 806 CB THR A 55 -3.247 4.896 8.686 1.00 0.42 C ATOM 807 OG1 THR A 55 -2.727 6.149 8.297 1.00 0.55 O ATOM 808 CG2 THR A 55 -4.653 4.750 8.114 1.00 0.48 C ATOM 0 H THR A 55 -3.013 6.849 10.399 1.00 0.51 H new ATOM 0 HA THR A 55 -4.261 4.223 10.388 1.00 0.41 H new ATOM 0 HB THR A 55 -2.583 4.112 8.321 1.00 0.42 H new ATOM 0 HG1 THR A 55 -1.908 6.334 8.802 1.00 0.55 H new ATOM 0 HG21 THR A 55 -4.610 4.801 7.026 1.00 0.48 H new ATOM 0 HG22 THR A 55 -5.071 3.790 8.416 1.00 0.48 H new ATOM 0 HG23 THR A 55 -5.284 5.555 8.491 1.00 0.48 H new ATOM 816 N GLY A 56 -2.020 2.858 10.311 1.00 0.45 N ATOM 817 CA GLY A 56 -1.333 1.698 10.789 1.00 0.67 C ATOM 818 C GLY A 56 -1.593 0.699 9.671 1.00 1.17 C ATOM 819 O GLY A 56 -1.699 1.070 8.502 1.00 2.63 O ATOM 0 H GLY A 56 -2.285 2.743 9.333 1.00 0.45 H new ATOM 0 HA2 GLY A 56 -0.268 1.883 10.932 1.00 0.67 H new ATOM 0 HA3 GLY A 56 -1.728 1.354 11.745 1.00 0.67 H new ATOM 823 N THR A 57 -1.785 -0.553 10.034 1.00 0.50 N ATOM 824 CA THR A 57 -2.107 -1.649 9.154 1.00 0.69 C ATOM 825 C THR A 57 -3.585 -1.579 8.772 1.00 0.42 C ATOM 826 O THR A 57 -3.971 -1.949 7.665 1.00 0.47 O ATOM 827 CB THR A 57 -1.750 -2.914 9.934 1.00 1.11 C ATOM 828 OG1 THR A 57 -2.404 -2.841 11.191 1.00 1.26 O ATOM 829 CG2 THR A 57 -0.231 -2.941 10.171 1.00 1.29 C ATOM 0 H THR A 57 -1.716 -0.846 11.009 1.00 0.50 H new ATOM 0 HA THR A 57 -1.556 -1.625 8.214 1.00 0.69 H new ATOM 0 HB THR A 57 -2.054 -3.806 9.386 1.00 1.11 H new ATOM 0 HG1 THR A 57 -2.195 -3.642 11.715 1.00 1.26 H new ATOM 0 HG21 THR A 57 0.035 -3.840 10.727 1.00 1.29 H new ATOM 0 HG22 THR A 57 0.287 -2.941 9.212 1.00 1.29 H new ATOM 0 HG23 THR A 57 0.064 -2.061 10.742 1.00 1.29 H new ATOM 837 N ALA A 58 -4.404 -1.126 9.731 1.00 0.42 N ATOM 838 CA ALA A 58 -5.838 -1.322 9.764 1.00 0.49 C ATOM 839 C ALA A 58 -6.519 -0.979 8.454 1.00 0.50 C ATOM 840 O ALA A 58 -7.119 -1.830 7.798 1.00 0.58 O ATOM 841 CB ALA A 58 -6.438 -0.532 10.932 1.00 0.56 C ATOM 0 H ALA A 58 -4.061 -0.594 10.531 1.00 0.42 H new ATOM 0 HA ALA A 58 -6.020 -2.386 9.915 1.00 0.49 H new ATOM 0 HB1 ALA A 58 -7.518 -0.681 10.955 1.00 0.56 H new ATOM 0 HB2 ALA A 58 -6.003 -0.881 11.869 1.00 0.56 H new ATOM 0 HB3 ALA A 58 -6.220 0.528 10.804 1.00 0.56 H new ATOM 847 N ALA A 59 -6.416 0.291 8.086 1.00 0.49 N ATOM 848 CA ALA A 59 -7.153 0.764 6.919 1.00 0.48 C ATOM 849 C ALA A 59 -6.472 0.275 5.645 1.00 0.43 C ATOM 850 O ALA A 59 -7.124 0.037 4.627 1.00 0.37 O ATOM 851 CB ALA A 59 -7.407 2.269 6.983 1.00 0.65 C ATOM 0 H ALA A 59 -5.849 0.994 8.560 1.00 0.49 H new ATOM 0 HA ALA A 59 -8.153 0.331 6.911 1.00 0.48 H new ATOM 0 HB1 ALA A 59 -7.958 2.583 6.097 1.00 0.65 H new ATOM 0 HB2 ALA A 59 -7.990 2.502 7.874 1.00 0.65 H new ATOM 0 HB3 ALA A 59 -6.454 2.797 7.024 1.00 0.65 H new ATOM 857 N ILE A 60 -5.148 0.109 5.718 1.00 0.48 N ATOM 858 CA ILE A 60 -4.348 -0.405 4.631 1.00 0.44 C ATOM 859 C ILE A 60 -4.837 -1.778 4.211 1.00 0.38 C ATOM 860 O ILE A 60 -5.186 -1.941 3.052 1.00 0.38 O ATOM 861 CB ILE A 60 -2.848 -0.337 4.980 1.00 0.42 C ATOM 862 CG1 ILE A 60 -2.401 1.047 4.510 1.00 0.44 C ATOM 863 CG2 ILE A 60 -2.010 -1.412 4.270 1.00 0.40 C ATOM 864 CD1 ILE A 60 -1.067 1.508 5.090 1.00 1.46 C ATOM 0 H ILE A 60 -4.605 0.335 6.552 1.00 0.48 H new ATOM 0 HA ILE A 60 -4.469 0.228 3.752 1.00 0.44 H new ATOM 0 HB ILE A 60 -2.703 -0.510 6.046 1.00 0.42 H new ATOM 0 HG12 ILE A 60 -2.329 1.042 3.422 1.00 0.44 H new ATOM 0 HG13 ILE A 60 -3.169 1.773 4.775 1.00 0.44 H new ATOM 0 HG21 ILE A 60 -0.964 -1.308 4.559 1.00 0.40 H new ATOM 0 HG22 ILE A 60 -2.369 -2.401 4.556 1.00 0.40 H new ATOM 0 HG23 ILE A 60 -2.102 -1.291 3.191 1.00 0.40 H new ATOM 0 HD11 ILE A 60 -0.826 2.499 4.705 1.00 1.46 H new ATOM 0 HD12 ILE A 60 -1.137 1.549 6.177 1.00 1.46 H new ATOM 0 HD13 ILE A 60 -0.284 0.806 4.803 1.00 1.46 H new ATOM 876 N GLN A 61 -4.882 -2.756 5.118 1.00 0.37 N ATOM 877 CA GLN A 61 -5.281 -4.106 4.737 1.00 0.34 C ATOM 878 C GLN A 61 -6.703 -4.054 4.150 1.00 0.30 C ATOM 879 O GLN A 61 -6.983 -4.666 3.120 1.00 0.30 O ATOM 880 CB GLN A 61 -5.228 -5.049 5.943 1.00 0.46 C ATOM 881 CG GLN A 61 -4.184 -6.173 5.848 1.00 0.44 C ATOM 882 CD GLN A 61 -2.857 -5.821 6.519 1.00 0.65 C ATOM 883 OE1 GLN A 61 -2.408 -4.576 6.406 1.00 1.11 O flip ATOM 884 NE2 GLN A 61 -2.235 -6.664 7.156 1.00 0.88 N flip ATOM 0 H GLN A 61 -4.651 -2.639 6.105 1.00 0.37 H new ATOM 0 HA GLN A 61 -4.590 -4.492 3.988 1.00 0.34 H new ATOM 0 HB2 GLN A 61 -5.024 -4.459 6.837 1.00 0.46 H new ATOM 0 HB3 GLN A 61 -6.212 -5.499 6.076 1.00 0.46 H new ATOM 0 HG2 GLN A 61 -4.588 -7.075 6.308 1.00 0.44 H new ATOM 0 HG3 GLN A 61 -4.003 -6.404 4.798 1.00 0.44 H new ATOM 0 HE21 GLN A 61 -2.596 -7.615 7.231 1.00 0.88 H new ATOM 0 HE22 GLN A 61 -1.357 -6.414 7.610 1.00 0.88 H new ATOM 893 N GLU A 62 -7.588 -3.297 4.811 1.00 0.29 N ATOM 894 CA GLU A 62 -8.967 -3.110 4.379 1.00 0.31 C ATOM 895 C GLU A 62 -9.015 -2.698 2.903 1.00 0.31 C ATOM 896 O GLU A 62 -9.635 -3.370 2.071 1.00 0.33 O ATOM 897 CB GLU A 62 -9.666 -2.084 5.296 1.00 0.36 C ATOM 898 CG GLU A 62 -11.067 -2.546 5.715 1.00 0.87 C ATOM 899 CD GLU A 62 -11.984 -2.751 4.522 1.00 2.21 C ATOM 900 OE1 GLU A 62 -12.038 -1.840 3.670 1.00 2.97 O ATOM 901 OE2 GLU A 62 -12.572 -3.852 4.434 1.00 3.12 O ATOM 0 H GLU A 62 -7.358 -2.795 5.669 1.00 0.29 H new ATOM 0 HA GLU A 62 -9.508 -4.052 4.463 1.00 0.31 H new ATOM 0 HB2 GLU A 62 -9.058 -1.920 6.185 1.00 0.36 H new ATOM 0 HB3 GLU A 62 -9.740 -1.127 4.779 1.00 0.36 H new ATOM 0 HG2 GLU A 62 -10.988 -3.478 6.275 1.00 0.87 H new ATOM 0 HG3 GLU A 62 -11.506 -1.807 6.386 1.00 0.87 H new ATOM 908 N LYS A 63 -8.326 -1.602 2.575 1.00 0.31 N ATOM 909 CA LYS A 63 -8.268 -1.077 1.238 1.00 0.34 C ATOM 910 C LYS A 63 -7.542 -2.024 0.286 1.00 0.31 C ATOM 911 O LYS A 63 -8.015 -2.207 -0.824 1.00 0.34 O ATOM 912 CB LYS A 63 -7.596 0.294 1.278 1.00 0.37 C ATOM 913 CG LYS A 63 -8.494 1.478 1.660 1.00 0.51 C ATOM 914 CD LYS A 63 -9.485 1.953 0.579 1.00 0.73 C ATOM 915 CE LYS A 63 -10.713 1.042 0.399 1.00 1.62 C ATOM 916 NZ LYS A 63 -11.908 1.781 -0.060 1.00 2.18 N ATOM 0 H LYS A 63 -7.790 -1.058 3.251 1.00 0.31 H new ATOM 0 HA LYS A 63 -9.282 -0.975 0.853 1.00 0.34 H new ATOM 0 HB2 LYS A 63 -6.768 0.249 1.986 1.00 0.37 H new ATOM 0 HB3 LYS A 63 -7.165 0.493 0.297 1.00 0.37 H new ATOM 0 HG2 LYS A 63 -9.061 1.205 2.550 1.00 0.51 H new ATOM 0 HG3 LYS A 63 -7.856 2.318 1.934 1.00 0.51 H new ATOM 0 HD2 LYS A 63 -9.826 2.957 0.832 1.00 0.73 H new ATOM 0 HD3 LYS A 63 -8.959 2.025 -0.373 1.00 0.73 H new ATOM 0 HE2 LYS A 63 -10.477 0.258 -0.321 1.00 1.62 H new ATOM 0 HE3 LYS A 63 -10.937 0.549 1.345 1.00 1.62 H new ATOM 0 HZ1 LYS A 63 -12.705 1.121 -0.165 1.00 2.18 H new ATOM 0 HZ2 LYS A 63 -12.153 2.512 0.638 1.00 2.18 H new ATOM 0 HZ3 LYS A 63 -11.708 2.230 -0.976 1.00 2.18 H new ATOM 930 N ILE A 64 -6.419 -2.616 0.691 1.00 0.26 N ATOM 931 CA ILE A 64 -5.653 -3.594 -0.065 1.00 0.24 C ATOM 932 C ILE A 64 -6.615 -4.663 -0.609 1.00 0.25 C ATOM 933 O ILE A 64 -6.656 -4.922 -1.815 1.00 0.26 O ATOM 934 CB ILE A 64 -4.581 -4.146 0.883 1.00 0.25 C ATOM 935 CG1 ILE A 64 -3.334 -3.257 0.892 1.00 0.38 C ATOM 936 CG2 ILE A 64 -4.255 -5.624 0.686 1.00 0.27 C ATOM 937 CD1 ILE A 64 -2.538 -3.311 -0.403 1.00 0.57 C ATOM 0 H ILE A 64 -6.002 -2.414 1.600 1.00 0.26 H new ATOM 0 HA ILE A 64 -5.150 -3.170 -0.934 1.00 0.24 H new ATOM 0 HB ILE A 64 -5.023 -4.108 1.879 1.00 0.25 H new ATOM 0 HG12 ILE A 64 -3.634 -2.226 1.081 1.00 0.38 H new ATOM 0 HG13 ILE A 64 -2.689 -3.558 1.718 1.00 0.38 H new ATOM 0 HG21 ILE A 64 -3.488 -5.926 1.399 1.00 0.27 H new ATOM 0 HG22 ILE A 64 -5.154 -6.219 0.847 1.00 0.27 H new ATOM 0 HG23 ILE A 64 -3.890 -5.784 -0.329 1.00 0.27 H new ATOM 0 HD11 ILE A 64 -1.670 -2.657 -0.324 1.00 0.57 H new ATOM 0 HD12 ILE A 64 -2.207 -4.334 -0.584 1.00 0.57 H new ATOM 0 HD13 ILE A 64 -3.166 -2.981 -1.230 1.00 0.57 H new ATOM 949 N GLU A 65 -7.433 -5.229 0.286 1.00 0.27 N ATOM 950 CA GLU A 65 -8.482 -6.174 -0.067 1.00 0.32 C ATOM 951 C GLU A 65 -9.435 -5.561 -1.101 1.00 0.35 C ATOM 952 O GLU A 65 -9.593 -6.109 -2.188 1.00 0.38 O ATOM 953 CB GLU A 65 -9.228 -6.596 1.206 1.00 0.38 C ATOM 954 CG GLU A 65 -8.435 -7.585 2.069 1.00 0.46 C ATOM 955 CD GLU A 65 -8.574 -9.040 1.629 1.00 0.65 C ATOM 956 OE1 GLU A 65 -9.497 -9.318 0.834 1.00 1.53 O ATOM 957 OE2 GLU A 65 -7.771 -9.852 2.134 1.00 1.49 O ATOM 0 H GLU A 65 -7.379 -5.037 1.286 1.00 0.27 H new ATOM 0 HA GLU A 65 -8.040 -7.060 -0.523 1.00 0.32 H new ATOM 0 HB2 GLU A 65 -9.456 -5.709 1.797 1.00 0.38 H new ATOM 0 HB3 GLU A 65 -10.180 -7.048 0.929 1.00 0.38 H new ATOM 0 HG2 GLU A 65 -7.381 -7.308 2.046 1.00 0.46 H new ATOM 0 HG3 GLU A 65 -8.766 -7.495 3.104 1.00 0.46 H new ATOM 964 N LYS A 66 -10.079 -4.428 -0.790 1.00 0.38 N ATOM 965 CA LYS A 66 -11.062 -3.827 -1.704 1.00 0.46 C ATOM 966 C LYS A 66 -10.462 -3.502 -3.080 1.00 0.47 C ATOM 967 O LYS A 66 -11.139 -3.619 -4.097 1.00 0.57 O ATOM 968 CB LYS A 66 -11.700 -2.566 -1.095 1.00 0.55 C ATOM 969 CG LYS A 66 -13.017 -2.804 -0.332 1.00 0.62 C ATOM 970 CD LYS A 66 -12.815 -3.363 1.078 1.00 2.16 C ATOM 971 CE LYS A 66 -12.764 -4.896 1.147 1.00 3.27 C ATOM 972 NZ LYS A 66 -12.119 -5.333 2.398 1.00 5.16 N ATOM 0 H LYS A 66 -9.940 -3.912 0.079 1.00 0.38 H new ATOM 0 HA LYS A 66 -11.839 -4.577 -1.850 1.00 0.46 H new ATOM 0 HB2 LYS A 66 -10.982 -2.106 -0.415 1.00 0.55 H new ATOM 0 HB3 LYS A 66 -11.886 -1.849 -1.895 1.00 0.55 H new ATOM 0 HG2 LYS A 66 -13.564 -1.864 -0.266 1.00 0.62 H new ATOM 0 HG3 LYS A 66 -13.638 -3.495 -0.902 1.00 0.62 H new ATOM 0 HD2 LYS A 66 -11.888 -2.961 1.486 1.00 2.16 H new ATOM 0 HD3 LYS A 66 -13.624 -3.009 1.716 1.00 2.16 H new ATOM 0 HE2 LYS A 66 -13.774 -5.303 1.090 1.00 3.27 H new ATOM 0 HE3 LYS A 66 -12.214 -5.287 0.291 1.00 3.27 H new ATOM 0 HZ1 LYS A 66 -12.031 -6.369 2.399 1.00 5.16 H new ATOM 0 HZ2 LYS A 66 -11.174 -4.905 2.469 1.00 5.16 H new ATOM 0 HZ3 LYS A 66 -12.697 -5.034 3.209 1.00 5.16 H new ATOM 986 N LEU A 67 -9.201 -3.072 -3.110 1.00 0.42 N ATOM 987 CA LEU A 67 -8.446 -2.773 -4.318 1.00 0.49 C ATOM 988 C LEU A 67 -8.151 -4.050 -5.112 1.00 0.51 C ATOM 989 O LEU A 67 -7.818 -3.971 -6.292 1.00 0.59 O ATOM 990 CB LEU A 67 -7.167 -2.002 -3.957 1.00 0.48 C ATOM 991 CG LEU A 67 -7.475 -0.583 -3.438 1.00 0.56 C ATOM 992 CD1 LEU A 67 -6.280 -0.039 -2.652 1.00 0.57 C ATOM 993 CD2 LEU A 67 -7.793 0.391 -4.580 1.00 0.69 C ATOM 0 H LEU A 67 -8.660 -2.918 -2.259 1.00 0.42 H new ATOM 0 HA LEU A 67 -9.047 -2.136 -4.967 1.00 0.49 H new ATOM 0 HB2 LEU A 67 -6.613 -2.554 -3.197 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -6.524 -1.935 -4.835 1.00 0.48 H new ATOM 0 HG LEU A 67 -8.352 -0.662 -2.795 1.00 0.56 H new ATOM 0 HD11 LEU A 67 -6.508 0.964 -2.290 1.00 0.57 H new ATOM 0 HD12 LEU A 67 -6.074 -0.693 -1.804 1.00 0.57 H new ATOM 0 HD13 LEU A 67 -5.405 0.000 -3.301 1.00 0.57 H new ATOM 0 HD21 LEU A 67 -8.004 1.378 -4.168 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -6.938 0.454 -5.253 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -8.663 0.034 -5.131 1.00 0.69 H new ATOM 1005 N GLY A 68 -8.268 -5.221 -4.476 1.00 0.45 N ATOM 1006 CA GLY A 68 -8.141 -6.517 -5.117 1.00 0.46 C ATOM 1007 C GLY A 68 -6.706 -7.017 -5.055 1.00 0.39 C ATOM 1008 O GLY A 68 -6.230 -7.613 -6.019 1.00 0.37 O ATOM 0 H GLY A 68 -8.458 -5.286 -3.476 1.00 0.45 H new ATOM 0 HA2 GLY A 68 -8.801 -7.234 -4.629 1.00 0.46 H new ATOM 0 HA3 GLY A 68 -8.460 -6.445 -6.157 1.00 0.46 H new ATOM 1012 N TYR A 69 -6.016 -6.775 -3.935 1.00 0.39 N ATOM 1013 CA TYR A 69 -4.624 -7.153 -3.750 1.00 0.33 C ATOM 1014 C TYR A 69 -4.424 -7.824 -2.400 1.00 0.28 C ATOM 1015 O TYR A 69 -5.339 -7.852 -1.577 1.00 0.28 O ATOM 1016 CB TYR A 69 -3.766 -5.892 -3.841 1.00 0.36 C ATOM 1017 CG TYR A 69 -2.913 -5.909 -5.078 1.00 0.36 C ATOM 1018 CD1 TYR A 69 -3.504 -5.684 -6.330 1.00 1.79 C ATOM 1019 CD2 TYR A 69 -1.541 -6.184 -4.983 1.00 1.90 C ATOM 1020 CE1 TYR A 69 -2.697 -5.570 -7.468 1.00 1.83 C ATOM 1021 CE2 TYR A 69 -0.732 -6.031 -6.117 1.00 1.88 C ATOM 1022 CZ TYR A 69 -1.308 -5.743 -7.364 1.00 0.47 C ATOM 1023 OH TYR A 69 -0.521 -5.618 -8.469 1.00 0.53 O ATOM 0 H TYR A 69 -6.420 -6.305 -3.125 1.00 0.39 H new ATOM 0 HA TYR A 69 -4.333 -7.864 -4.523 1.00 0.33 H new ATOM 0 HB2 TYR A 69 -4.408 -5.011 -3.850 1.00 0.36 H new ATOM 0 HB3 TYR A 69 -3.131 -5.815 -2.958 1.00 0.36 H new ATOM 0 HD1 TYR A 69 -4.577 -5.599 -6.416 1.00 1.79 H new ATOM 0 HD2 TYR A 69 -1.113 -6.510 -4.047 1.00 1.90 H new ATOM 0 HE1 TYR A 69 -3.143 -5.349 -8.426 1.00 1.83 H new ATOM 0 HE2 TYR A 69 0.340 -6.135 -6.031 1.00 1.88 H new ATOM 0 HH TYR A 69 -0.791 -6.280 -9.140 1.00 0.53 H new ATOM 1033 N HIS A 70 -3.207 -8.316 -2.152 1.00 0.27 N ATOM 1034 CA HIS A 70 -2.802 -8.772 -0.836 1.00 0.26 C ATOM 1035 C HIS A 70 -1.355 -8.334 -0.588 1.00 0.28 C ATOM 1036 O HIS A 70 -0.670 -7.852 -1.490 1.00 0.82 O ATOM 1037 CB HIS A 70 -3.032 -10.286 -0.736 1.00 0.34 C ATOM 1038 CG HIS A 70 -3.160 -10.841 0.664 1.00 0.53 C ATOM 1039 ND1 HIS A 70 -3.373 -10.132 1.830 1.00 1.66 N ATOM 1040 CD2 HIS A 70 -3.229 -12.172 0.978 1.00 1.55 C ATOM 1041 CE1 HIS A 70 -3.509 -11.024 2.825 1.00 1.39 C ATOM 1042 NE2 HIS A 70 -3.429 -12.279 2.357 1.00 1.23 N ATOM 0 H HIS A 70 -2.481 -8.406 -2.863 1.00 0.27 H new ATOM 0 HA HIS A 70 -3.402 -8.323 -0.044 1.00 0.26 H new ATOM 0 HB2 HIS A 70 -3.938 -10.534 -1.289 1.00 0.34 H new ATOM 0 HB3 HIS A 70 -2.206 -10.794 -1.234 1.00 0.34 H new ATOM 0 HD2 HIS A 70 -3.144 -12.994 0.283 1.00 1.55 H new ATOM 0 HE1 HIS A 70 -3.662 -10.766 3.862 1.00 1.39 H new ATOM 0 HE2 HIS A 70 -3.500 -13.140 2.900 1.00 1.23 H new ATOM 1050 N VAL A 71 -0.904 -8.447 0.658 1.00 0.70 N ATOM 1051 CA VAL A 71 0.366 -7.937 1.139 1.00 0.60 C ATOM 1052 C VAL A 71 0.905 -9.008 2.076 1.00 0.65 C ATOM 1053 O VAL A 71 0.118 -9.694 2.729 1.00 0.80 O ATOM 1054 CB VAL A 71 0.131 -6.586 1.838 1.00 0.72 C ATOM 1055 CG1 VAL A 71 1.320 -6.065 2.647 1.00 2.14 C ATOM 1056 CG2 VAL A 71 -0.238 -5.507 0.814 1.00 1.87 C ATOM 0 H VAL A 71 -1.440 -8.917 1.387 1.00 0.70 H new ATOM 0 HA VAL A 71 1.090 -7.746 0.346 1.00 0.60 H new ATOM 0 HB VAL A 71 -0.681 -6.783 2.537 1.00 0.72 H new ATOM 0 HG11 VAL A 71 1.060 -5.109 3.102 1.00 2.14 H new ATOM 0 HG12 VAL A 71 1.571 -6.782 3.428 1.00 2.14 H new ATOM 0 HG13 VAL A 71 2.178 -5.932 1.988 1.00 2.14 H new ATOM 0 HG21 VAL A 71 -0.400 -4.559 1.327 1.00 1.87 H new ATOM 0 HG22 VAL A 71 0.573 -5.396 0.094 1.00 1.87 H new ATOM 0 HG23 VAL A 71 -1.149 -5.798 0.292 1.00 1.87 H new ATOM 1066 N VAL A 72 2.226 -9.176 2.100 1.00 0.58 N ATOM 1067 CA VAL A 72 2.915 -10.179 2.886 1.00 0.66 C ATOM 1068 C VAL A 72 3.872 -9.457 3.831 1.00 0.68 C ATOM 1069 O VAL A 72 4.552 -8.505 3.446 1.00 0.64 O ATOM 1070 CB VAL A 72 3.631 -11.191 1.987 1.00 0.65 C ATOM 1071 CG1 VAL A 72 4.057 -12.429 2.788 1.00 0.78 C ATOM 1072 CG2 VAL A 72 2.755 -11.638 0.809 1.00 0.71 C ATOM 0 H VAL A 72 2.860 -8.595 1.552 1.00 0.58 H new ATOM 0 HA VAL A 72 2.203 -10.759 3.473 1.00 0.66 H new ATOM 0 HB VAL A 72 4.512 -10.685 1.592 1.00 0.65 H new ATOM 0 HG11 VAL A 72 4.563 -13.133 2.128 1.00 0.78 H new ATOM 0 HG12 VAL A 72 4.735 -12.130 3.587 1.00 0.78 H new ATOM 0 HG13 VAL A 72 3.176 -12.905 3.218 1.00 0.78 H new ATOM 0 HG21 VAL A 72 3.304 -12.355 0.199 1.00 0.71 H new ATOM 0 HG22 VAL A 72 1.846 -12.105 1.188 1.00 0.71 H new ATOM 0 HG23 VAL A 72 2.492 -10.772 0.202 1.00 0.71 H new ATOM 1082 N ILE A 73 3.903 -9.916 5.078 1.00 0.77 N ATOM 1083 CA ILE A 73 4.719 -9.360 6.144 1.00 0.92 C ATOM 1084 C ILE A 73 5.804 -10.389 6.458 1.00 1.03 C ATOM 1085 O ILE A 73 5.747 -11.093 7.463 1.00 1.10 O ATOM 1086 CB ILE A 73 3.840 -9.000 7.352 1.00 0.97 C ATOM 1087 CG1 ILE A 73 2.671 -8.074 6.970 1.00 1.02 C ATOM 1088 CG2 ILE A 73 4.686 -8.341 8.451 1.00 1.14 C ATOM 1089 CD1 ILE A 73 3.077 -6.746 6.325 1.00 1.42 C ATOM 0 H ILE A 73 3.341 -10.712 5.381 1.00 0.77 H new ATOM 0 HA ILE A 73 5.200 -8.427 5.851 1.00 0.92 H new ATOM 0 HB ILE A 73 3.415 -9.932 7.725 1.00 0.97 H new ATOM 0 HG12 ILE A 73 2.015 -8.608 6.283 1.00 1.02 H new ATOM 0 HG13 ILE A 73 2.089 -7.861 7.867 1.00 1.02 H new ATOM 0 HG21 ILE A 73 4.049 -8.092 9.300 1.00 1.14 H new ATOM 0 HG22 ILE A 73 5.466 -9.031 8.773 1.00 1.14 H new ATOM 0 HG23 ILE A 73 5.144 -7.432 8.062 1.00 1.14 H new ATOM 0 HD11 ILE A 73 2.184 -6.166 6.093 1.00 1.42 H new ATOM 0 HD12 ILE A 73 3.706 -6.184 7.015 1.00 1.42 H new ATOM 0 HD13 ILE A 73 3.631 -6.942 5.407 1.00 1.42 H new ATOM 1101 N GLU A 74 6.797 -10.482 5.569 1.00 1.14 N ATOM 1102 CA GLU A 74 7.904 -11.421 5.668 1.00 1.39 C ATOM 1103 C GLU A 74 8.930 -11.014 6.739 1.00 1.67 C ATOM 1104 O GLU A 74 9.852 -11.753 7.062 1.00 1.91 O ATOM 1105 CB GLU A 74 8.492 -11.673 4.271 1.00 1.47 C ATOM 1106 CG GLU A 74 8.736 -13.157 3.949 1.00 1.78 C ATOM 1107 CD GLU A 74 10.005 -13.713 4.582 1.00 2.53 C ATOM 1108 OE1 GLU A 74 11.078 -13.170 4.246 1.00 3.21 O ATOM 1109 OE2 GLU A 74 9.874 -14.694 5.345 1.00 3.49 O ATOM 0 H GLU A 74 6.849 -9.888 4.741 1.00 1.14 H new ATOM 0 HA GLU A 74 7.533 -12.380 6.029 1.00 1.39 H new ATOM 0 HB2 GLU A 74 7.816 -11.257 3.524 1.00 1.47 H new ATOM 0 HB3 GLU A 74 9.435 -11.134 4.183 1.00 1.47 H new ATOM 0 HG2 GLU A 74 7.882 -13.741 4.292 1.00 1.78 H new ATOM 0 HG3 GLU A 74 8.794 -13.282 2.868 1.00 1.78 H new ATOM 1116 N GLY A 75 8.731 -9.830 7.313 1.00 1.71 N ATOM 1117 CA GLY A 75 9.496 -9.273 8.416 1.00 2.01 C ATOM 1118 C GLY A 75 8.523 -8.763 9.472 1.00 2.37 C ATOM 1119 O GLY A 75 8.436 -7.560 9.706 1.00 2.82 O ATOM 0 H GLY A 75 7.990 -9.202 7.001 1.00 1.71 H new ATOM 0 HA2 GLY A 75 10.153 -10.031 8.842 1.00 2.01 H new ATOM 0 HA3 GLY A 75 10.132 -8.461 8.064 1.00 2.01 H new ATOM 1123 N ARG A 76 7.754 -9.684 10.056 1.00 3.69 N ATOM 1124 CA ARG A 76 6.878 -9.394 11.181 1.00 5.06 C ATOM 1125 C ARG A 76 7.713 -9.180 12.447 1.00 5.63 C ATOM 1126 O ARG A 76 7.239 -8.426 13.326 1.00 6.22 O ATOM 1127 CB ARG A 76 5.892 -10.554 11.382 1.00 6.65 C ATOM 1128 CG ARG A 76 4.691 -10.113 12.233 1.00 8.08 C ATOM 1129 CD ARG A 76 4.258 -11.219 13.199 1.00 9.33 C ATOM 1130 NE ARG A 76 3.166 -10.749 14.065 1.00 10.44 N ATOM 1131 CZ ARG A 76 2.709 -11.399 15.147 1.00 11.84 C ATOM 1132 NH1 ARG A 76 3.214 -12.596 15.465 1.00 12.37 N ATOM 1133 NH2 ARG A 76 1.752 -10.850 15.903 1.00 13.00 N ATOM 1134 OXT ARG A 76 8.786 -9.816 12.535 1.00 6.18 O ATOM 0 H ARG A 76 7.725 -10.658 9.755 1.00 3.69 H new ATOM 0 HA ARG A 76 6.314 -8.484 10.975 1.00 5.06 H new ATOM 0 HB2 ARG A 76 5.544 -10.913 10.413 1.00 6.65 H new ATOM 0 HB3 ARG A 76 6.400 -11.388 11.867 1.00 6.65 H new ATOM 0 HG2 ARG A 76 4.951 -9.217 12.796 1.00 8.08 H new ATOM 0 HG3 ARG A 76 3.858 -9.850 11.581 1.00 8.08 H new ATOM 0 HD2 ARG A 76 3.933 -12.094 12.637 1.00 9.33 H new ATOM 0 HD3 ARG A 76 5.106 -11.529 13.809 1.00 9.33 H new ATOM 0 HE ARG A 76 2.722 -9.862 13.825 1.00 10.44 H new ATOM 0 HH11 ARG A 76 3.944 -13.012 14.886 1.00 12.37 H new ATOM 0 HH12 ARG A 76 2.869 -13.093 16.286 1.00 12.37 H new ATOM 0 HH21 ARG A 76 1.369 -9.937 15.658 1.00 13.00 H new ATOM 0 HH22 ARG A 76 1.405 -11.344 16.725 1.00 13.00 H new TER 1148 ARG A 76 HETATM 1149 CU CU A 77 -0.459 -4.714 -13.917 1.00 2.18 CU