USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 378 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 35 ASN : amide:sc= -3.97 K(o=-5.3,f=-9.2!) USER MOD Set 1.2: A 38 SER OG : rot -30:sc= -1.36 USER MOD Single : A 5 ASN : amide:sc= -2.17! C(o=-2.2!,f=-6.2!) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.621 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0931 USER MOD Single : A 24 MET CE :methyl 171:sc= -2.19 (180deg=-2.44) USER MOD Single : A 25 ASN : amide:sc= -6.57! C(o=-6.6!,f=-14!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 99:sc= 0.95 USER MOD Single : A 50 CYS SG : rot 130:sc= -2.59! USER MOD Single : A 58 SER OG : rot -45:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -5.495 4.680 4.318 1.00 0.00 N ATOM 16 CA ILE A 2 -4.857 3.511 3.736 1.00 0.00 C ATOM 17 C ILE A 2 -4.023 2.805 4.808 1.00 0.00 C ATOM 18 O ILE A 2 -3.191 3.430 5.463 1.00 0.00 O ATOM 19 CB ILE A 2 -4.058 3.900 2.492 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.672 4.424 2.872 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.834 4.900 1.632 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.778 5.729 3.664 1.00 0.00 C ATOM 0 HA ILE A 2 -5.607 2.798 3.393 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.909 3.005 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.146 3.676 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.082 4.588 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.243 5.160 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.777 4.453 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.036 5.800 2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.779 6.080 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.282 6.482 3.059 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.348 5.555 4.577 1.00 0.00 H new ATOM 34 N GLU A 3 -4.276 1.513 4.953 1.00 0.00 N ATOM 35 CA GLU A 3 -3.558 0.715 5.932 1.00 0.00 C ATOM 36 C GLU A 3 -3.239 -0.667 5.361 1.00 0.00 C ATOM 37 O GLU A 3 -3.942 -1.157 4.478 1.00 0.00 O ATOM 38 CB GLU A 3 -4.355 0.600 7.234 1.00 0.00 C ATOM 39 CG GLU A 3 -3.420 0.497 8.441 1.00 0.00 C ATOM 40 CD GLU A 3 -2.886 1.874 8.839 1.00 0.00 C ATOM 41 OE1 GLU A 3 -2.738 2.713 7.924 1.00 0.00 O ATOM 42 OE2 GLU A 3 -2.636 2.058 10.051 1.00 0.00 O ATOM 0 H GLU A 3 -4.968 0.999 4.409 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.618 1.216 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.004 1.468 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.000 -0.277 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.953 0.053 9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.587 -0.166 8.205 1.00 0.00 H new ATOM 49 N VAL A 4 -2.176 -1.260 5.887 1.00 0.00 N ATOM 50 CA VAL A 4 -1.755 -2.576 5.440 1.00 0.00 C ATOM 51 C VAL A 4 -2.177 -3.621 6.476 1.00 0.00 C ATOM 52 O VAL A 4 -2.626 -3.272 7.567 1.00 0.00 O ATOM 53 CB VAL A 4 -0.250 -2.579 5.166 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.540 -2.863 6.446 1.00 0.00 C ATOM 55 CG2 VAL A 4 0.105 -3.583 4.068 1.00 0.00 C ATOM 0 H VAL A 4 -1.594 -0.852 6.619 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.243 -2.835 4.500 1.00 0.00 H new ATOM 0 HB VAL A 4 0.029 -1.586 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.607 -2.860 6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.321 -2.094 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.255 -3.838 6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.181 -3.565 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.195 -4.584 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.417 -3.317 3.149 1.00 0.00 H new ATOM 65 N ASN A 5 -2.015 -4.880 6.099 1.00 0.00 N ATOM 66 CA ASN A 5 -2.372 -5.978 6.981 1.00 0.00 C ATOM 67 C ASN A 5 -1.106 -6.739 7.381 1.00 0.00 C ATOM 68 O ASN A 5 0.004 -6.286 7.112 1.00 0.00 O ATOM 69 CB ASN A 5 -3.315 -6.961 6.284 1.00 0.00 C ATOM 70 CG ASN A 5 -4.735 -6.398 6.207 1.00 0.00 C ATOM 71 OD1 ASN A 5 -4.966 -5.207 6.323 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.672 -7.321 6.007 1.00 0.00 N ATOM 0 H ASN A 5 -1.641 -5.165 5.194 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.870 -5.559 7.855 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.949 -7.172 5.279 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.324 -7.907 6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.652 -7.047 5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.410 -8.303 5.918 1.00 0.00 H new ATOM 79 N ASP A 6 -1.318 -7.881 8.018 1.00 0.00 N ATOM 80 CA ASP A 6 -0.207 -8.710 8.457 1.00 0.00 C ATOM 81 C ASP A 6 -0.089 -9.927 7.538 1.00 0.00 C ATOM 82 O ASP A 6 1.013 -10.393 7.258 1.00 0.00 O ATOM 83 CB ASP A 6 -0.427 -9.213 9.884 1.00 0.00 C ATOM 84 CG ASP A 6 0.718 -10.050 10.458 1.00 0.00 C ATOM 85 OD1 ASP A 6 1.232 -10.902 9.702 1.00 0.00 O ATOM 86 OD2 ASP A 6 1.052 -9.820 11.641 1.00 0.00 O ATOM 0 H ASP A 6 -2.242 -8.252 8.241 1.00 0.00 H new ATOM 0 HA ASP A 6 0.699 -8.105 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.591 -8.354 10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.339 -9.809 9.907 1.00 0.00 H new ATOM 91 N ASP A 7 -1.242 -10.407 7.094 1.00 0.00 N ATOM 92 CA ASP A 7 -1.283 -11.562 6.213 1.00 0.00 C ATOM 93 C ASP A 7 -0.577 -11.220 4.899 1.00 0.00 C ATOM 94 O ASP A 7 -0.183 -12.113 4.152 1.00 0.00 O ATOM 95 CB ASP A 7 -2.725 -11.955 5.887 1.00 0.00 C ATOM 96 CG ASP A 7 -3.580 -12.337 7.096 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.662 -11.500 8.022 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.134 -13.457 7.069 1.00 0.00 O ATOM 0 H ASP A 7 -2.155 -10.017 7.328 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.790 -12.391 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.204 -11.124 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.709 -12.795 5.193 1.00 0.00 H new ATOM 103 N CYS A 8 -0.438 -9.924 4.658 1.00 0.00 N ATOM 104 CA CYS A 8 0.213 -9.454 3.448 1.00 0.00 C ATOM 105 C CYS A 8 1.589 -10.118 3.354 1.00 0.00 C ATOM 106 O CYS A 8 2.242 -10.348 4.371 1.00 0.00 O ATOM 107 CB CYS A 8 0.313 -7.927 3.417 1.00 0.00 C ATOM 108 SG CYS A 8 1.799 -7.272 2.569 1.00 0.00 S ATOM 0 H CYS A 8 -0.765 -9.185 5.281 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.384 -9.732 2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.574 -7.529 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.303 -7.555 4.442 1.00 0.00 H new ATOM 0 HG CYS A 8 1.779 -5.973 2.601 1.00 0.00 H new ATOM 113 N MET A 9 1.988 -10.406 2.124 1.00 0.00 N ATOM 114 CA MET A 9 3.273 -11.039 1.883 1.00 0.00 C ATOM 115 C MET A 9 4.330 -10.003 1.494 1.00 0.00 C ATOM 116 O MET A 9 5.525 -10.231 1.676 1.00 0.00 O ATOM 117 CB MET A 9 3.133 -12.071 0.762 1.00 0.00 C ATOM 118 CG MET A 9 4.387 -12.942 0.660 1.00 0.00 C ATOM 119 SD MET A 9 3.945 -14.586 0.125 1.00 0.00 S ATOM 120 CE MET A 9 5.543 -15.183 -0.397 1.00 0.00 C ATOM 0 H MET A 9 1.444 -10.212 1.283 1.00 0.00 H new ATOM 0 HA MET A 9 3.593 -11.530 2.802 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.263 -12.700 0.949 1.00 0.00 H new ATOM 0 HB3 MET A 9 2.961 -11.562 -0.186 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.092 -12.499 -0.044 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.888 -12.988 1.627 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.448 -16.205 -0.763 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.927 -14.546 -1.194 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.232 -15.163 0.447 1.00 0.00 H new ATOM 130 N ALA A 10 3.852 -8.885 0.967 1.00 0.00 N ATOM 131 CA ALA A 10 4.740 -7.813 0.552 1.00 0.00 C ATOM 132 C ALA A 10 5.119 -8.013 -0.917 1.00 0.00 C ATOM 133 O ALA A 10 6.282 -8.262 -1.234 1.00 0.00 O ATOM 134 CB ALA A 10 5.964 -7.779 1.470 1.00 0.00 C ATOM 0 H ALA A 10 2.860 -8.699 0.818 1.00 0.00 H new ATOM 0 HA ALA A 10 4.242 -6.847 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.630 -6.975 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.643 -7.607 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.491 -8.731 1.409 1.00 0.00 H new ATOM 140 N CYS A 11 4.117 -7.895 -1.775 1.00 0.00 N ATOM 141 CA CYS A 11 4.331 -8.058 -3.203 1.00 0.00 C ATOM 142 C CYS A 11 5.074 -6.825 -3.722 1.00 0.00 C ATOM 143 O CYS A 11 5.852 -6.919 -4.670 1.00 0.00 O ATOM 144 CB CYS A 11 3.015 -8.287 -3.949 1.00 0.00 C ATOM 145 SG CYS A 11 2.946 -9.832 -4.927 1.00 0.00 S ATOM 0 H CYS A 11 3.154 -7.688 -1.509 1.00 0.00 H new ATOM 0 HA CYS A 11 4.935 -8.947 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.200 -8.295 -3.225 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.840 -7.443 -4.616 1.00 0.00 H new ATOM 0 HG CYS A 11 1.789 -9.924 -5.513 1.00 0.00 H new ATOM 150 N GLU A 12 4.810 -5.699 -3.076 1.00 0.00 N ATOM 151 CA GLU A 12 5.444 -4.450 -3.461 1.00 0.00 C ATOM 152 C GLU A 12 4.779 -3.881 -4.715 1.00 0.00 C ATOM 153 O GLU A 12 5.267 -2.913 -5.296 1.00 0.00 O ATOM 154 CB GLU A 12 6.947 -4.641 -3.675 1.00 0.00 C ATOM 155 CG GLU A 12 7.754 -3.739 -2.740 1.00 0.00 C ATOM 156 CD GLU A 12 9.109 -4.366 -2.407 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.107 -5.562 -2.041 1.00 0.00 O ATOM 158 OE2 GLU A 12 10.118 -3.637 -2.528 1.00 0.00 O ATOM 0 H GLU A 12 4.166 -5.626 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 12 5.314 -3.734 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.213 -5.683 -3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.202 -4.417 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.905 -2.766 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.193 -3.567 -1.821 1.00 0.00 H new ATOM 165 N ALA A 13 3.674 -4.506 -5.097 1.00 0.00 N ATOM 166 CA ALA A 13 2.937 -4.073 -6.271 1.00 0.00 C ATOM 167 C ALA A 13 2.275 -2.725 -5.985 1.00 0.00 C ATOM 168 O ALA A 13 2.401 -1.788 -6.771 1.00 0.00 O ATOM 169 CB ALA A 13 1.923 -5.151 -6.663 1.00 0.00 C ATOM 0 H ALA A 13 3.272 -5.309 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 13 3.610 -3.935 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.369 -4.827 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.448 -6.080 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.229 -5.315 -5.839 1.00 0.00 H new ATOM 175 N CYS A 14 1.582 -2.669 -4.856 1.00 0.00 N ATOM 176 CA CYS A 14 0.900 -1.451 -4.456 1.00 0.00 C ATOM 177 C CYS A 14 1.947 -0.349 -4.281 1.00 0.00 C ATOM 178 O CYS A 14 1.659 0.827 -4.499 1.00 0.00 O ATOM 179 CB CYS A 14 0.071 -1.658 -3.187 1.00 0.00 C ATOM 180 SG CYS A 14 1.053 -1.886 -1.658 1.00 0.00 S ATOM 0 H CYS A 14 1.479 -3.448 -4.206 1.00 0.00 H new ATOM 0 HA CYS A 14 0.191 -1.157 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.587 -0.799 -3.055 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.568 -2.530 -3.325 1.00 0.00 H new ATOM 0 HG CYS A 14 0.251 -2.050 -0.648 1.00 0.00 H new ATOM 185 N VAL A 15 3.141 -0.768 -3.888 1.00 0.00 N ATOM 186 CA VAL A 15 4.232 0.168 -3.680 1.00 0.00 C ATOM 187 C VAL A 15 4.763 0.635 -5.038 1.00 0.00 C ATOM 188 O VAL A 15 5.102 1.805 -5.207 1.00 0.00 O ATOM 189 CB VAL A 15 5.311 -0.472 -2.805 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.525 0.449 -2.670 1.00 0.00 C ATOM 191 CG2 VAL A 15 4.752 -0.845 -1.430 1.00 0.00 C ATOM 0 H VAL A 15 3.377 -1.744 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 15 3.881 1.051 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 15 5.638 -1.389 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.277 -0.030 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.945 0.644 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.219 1.390 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.539 -1.298 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.384 0.052 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.933 -1.555 -1.550 1.00 0.00 H new ATOM 201 N GLU A 16 4.818 -0.305 -5.971 1.00 0.00 N ATOM 202 CA GLU A 16 5.302 -0.005 -7.307 1.00 0.00 C ATOM 203 C GLU A 16 4.228 0.737 -8.106 1.00 0.00 C ATOM 204 O GLU A 16 4.540 1.456 -9.054 1.00 0.00 O ATOM 205 CB GLU A 16 5.741 -1.279 -8.030 1.00 0.00 C ATOM 206 CG GLU A 16 7.251 -1.274 -8.281 1.00 0.00 C ATOM 207 CD GLU A 16 7.977 -2.173 -7.277 1.00 0.00 C ATOM 208 OE1 GLU A 16 7.479 -3.299 -7.060 1.00 0.00 O ATOM 209 OE2 GLU A 16 9.012 -1.713 -6.749 1.00 0.00 O ATOM 0 H GLU A 16 4.535 -1.274 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 16 6.175 0.642 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.471 -2.151 -7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.211 -1.364 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.456 -1.616 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.633 -0.256 -8.205 1.00 0.00 H new ATOM 216 N ILE A 17 2.985 0.537 -7.694 1.00 0.00 N ATOM 217 CA ILE A 17 1.863 1.177 -8.359 1.00 0.00 C ATOM 218 C ILE A 17 1.640 2.563 -7.753 1.00 0.00 C ATOM 219 O ILE A 17 1.322 3.513 -8.467 1.00 0.00 O ATOM 220 CB ILE A 17 0.626 0.277 -8.310 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.043 0.069 -9.708 1.00 0.00 C ATOM 222 CG2 ILE A 17 -0.413 0.828 -7.331 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.270 1.409 -10.377 1.00 0.00 C ATOM 0 H ILE A 17 2.730 -0.060 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 17 2.080 1.323 -9.417 1.00 0.00 H new ATOM 0 HB ILE A 17 0.930 -0.702 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.749 -0.491 -10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.866 -0.529 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.282 0.170 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.020 0.881 -6.332 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.718 1.825 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.683 1.232 -11.370 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.995 1.956 -9.774 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.645 1.995 -10.464 1.00 0.00 H new ATOM 235 N CYS A 18 1.814 2.636 -6.442 1.00 0.00 N ATOM 236 CA CYS A 18 1.636 3.890 -5.731 1.00 0.00 C ATOM 237 C CYS A 18 2.711 3.986 -4.647 1.00 0.00 C ATOM 238 O CYS A 18 2.418 3.838 -3.461 1.00 0.00 O ATOM 239 CB CYS A 18 0.226 4.016 -5.149 1.00 0.00 C ATOM 240 SG CYS A 18 -0.425 5.724 -5.079 1.00 0.00 S ATOM 0 H CYS A 18 2.077 1.846 -5.853 1.00 0.00 H new ATOM 0 HA CYS A 18 1.747 4.723 -6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.454 3.407 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.226 3.600 -4.141 1.00 0.00 H new ATOM 245 N PRO A 19 3.967 4.239 -5.103 1.00 0.00 N ATOM 246 CA PRO A 19 5.087 4.357 -4.186 1.00 0.00 C ATOM 247 C PRO A 19 5.050 5.693 -3.442 1.00 0.00 C ATOM 248 O PRO A 19 5.962 6.009 -2.680 1.00 0.00 O ATOM 249 CB PRO A 19 6.325 4.193 -5.053 1.00 0.00 C ATOM 250 CG PRO A 19 5.871 4.455 -6.480 1.00 0.00 C ATOM 251 CD PRO A 19 4.352 4.422 -6.500 1.00 0.00 C ATOM 0 HA PRO A 19 5.066 3.604 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.105 4.894 -4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.742 3.191 -4.953 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.236 5.422 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.278 3.702 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.941 5.346 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.982 3.608 -7.123 1.00 0.00 H new ATOM 259 N ASP A 20 3.987 6.443 -3.691 1.00 0.00 N ATOM 260 CA ASP A 20 3.819 7.738 -3.055 1.00 0.00 C ATOM 261 C ASP A 20 2.802 7.616 -1.919 1.00 0.00 C ATOM 262 O ASP A 20 2.616 8.553 -1.144 1.00 0.00 O ATOM 263 CB ASP A 20 3.294 8.776 -4.049 1.00 0.00 C ATOM 264 CG ASP A 20 3.777 10.207 -3.805 1.00 0.00 C ATOM 265 OD1 ASP A 20 4.991 10.361 -3.552 1.00 0.00 O ATOM 266 OD2 ASP A 20 2.921 11.115 -3.878 1.00 0.00 O ATOM 0 H ASP A 20 3.233 6.178 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 20 4.791 8.057 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.589 8.476 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.204 8.766 -4.020 1.00 0.00 H new ATOM 271 N VAL A 21 2.172 6.452 -1.855 1.00 0.00 N ATOM 272 CA VAL A 21 1.179 6.195 -0.825 1.00 0.00 C ATOM 273 C VAL A 21 1.666 5.059 0.075 1.00 0.00 C ATOM 274 O VAL A 21 1.362 5.031 1.267 1.00 0.00 O ATOM 275 CB VAL A 21 -0.179 5.907 -1.470 1.00 0.00 C ATOM 276 CG1 VAL A 21 -1.247 5.649 -0.405 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.598 7.046 -2.401 1.00 0.00 C ATOM 0 H VAL A 21 2.330 5.677 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 21 1.046 7.074 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.079 5.003 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.202 5.447 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.958 4.789 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.343 6.527 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.566 6.815 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.672 7.973 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.145 7.163 -3.190 1.00 0.00 H new ATOM 287 N PHE A 22 2.415 4.147 -0.529 1.00 0.00 N ATOM 288 CA PHE A 22 2.948 3.012 0.204 1.00 0.00 C ATOM 289 C PHE A 22 4.430 2.803 -0.111 1.00 0.00 C ATOM 290 O PHE A 22 4.811 2.678 -1.274 1.00 0.00 O ATOM 291 CB PHE A 22 2.164 1.779 -0.251 1.00 0.00 C ATOM 292 CG PHE A 22 0.646 1.968 -0.239 1.00 0.00 C ATOM 293 CD1 PHE A 22 -0.020 2.053 0.944 1.00 0.00 C ATOM 294 CD2 PHE A 22 -0.038 2.049 -1.412 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.428 2.228 0.955 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.447 2.225 -1.401 1.00 0.00 C ATOM 297 CZ PHE A 22 -2.113 2.311 -0.218 1.00 0.00 C ATOM 0 H PHE A 22 2.665 4.172 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 22 2.853 3.183 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.479 1.513 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.420 0.939 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.523 1.987 1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.490 1.979 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.956 2.295 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.990 2.291 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.185 2.445 -0.210 1.00 0.00 H new ATOM 307 N GLU A 23 5.229 2.772 0.947 1.00 0.00 N ATOM 308 CA GLU A 23 6.662 2.581 0.799 1.00 0.00 C ATOM 309 C GLU A 23 7.120 1.360 1.600 1.00 0.00 C ATOM 310 O GLU A 23 6.795 1.230 2.779 1.00 0.00 O ATOM 311 CB GLU A 23 7.429 3.835 1.222 1.00 0.00 C ATOM 312 CG GLU A 23 8.788 3.470 1.821 1.00 0.00 C ATOM 313 CD GLU A 23 9.775 4.631 1.690 1.00 0.00 C ATOM 314 OE1 GLU A 23 9.735 5.512 2.575 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.547 4.612 0.707 1.00 0.00 O ATOM 0 H GLU A 23 4.910 2.876 1.910 1.00 0.00 H new ATOM 0 HA GLU A 23 6.879 2.402 -0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.571 4.487 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.844 4.394 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.667 3.208 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.187 2.590 1.317 1.00 0.00 H new ATOM 322 N MET A 24 7.867 0.498 0.927 1.00 0.00 N ATOM 323 CA MET A 24 8.374 -0.707 1.562 1.00 0.00 C ATOM 324 C MET A 24 8.785 -0.432 3.010 1.00 0.00 C ATOM 325 O MET A 24 9.086 0.705 3.368 1.00 0.00 O ATOM 326 CB MET A 24 9.580 -1.229 0.778 1.00 0.00 C ATOM 327 CG MET A 24 9.235 -1.410 -0.702 1.00 0.00 C ATOM 328 SD MET A 24 10.479 -0.629 -1.718 1.00 0.00 S ATOM 329 CE MET A 24 9.898 1.059 -1.676 1.00 0.00 C ATOM 0 H MET A 24 8.134 0.610 -0.051 1.00 0.00 H new ATOM 0 HA MET A 24 7.581 -1.455 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.413 -0.533 0.879 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.907 -2.180 1.198 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.171 -2.471 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.257 -0.976 -0.912 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.645 1.712 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.964 1.136 -2.233 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.730 1.360 -0.642 1.00 0.00 H new ATOM 339 N ASN A 25 8.786 -1.494 3.802 1.00 0.00 N ATOM 340 CA ASN A 25 9.156 -1.382 5.203 1.00 0.00 C ATOM 341 C ASN A 25 10.674 -1.228 5.315 1.00 0.00 C ATOM 342 O ASN A 25 11.310 -0.648 4.434 1.00 0.00 O ATOM 343 CB ASN A 25 8.750 -2.634 5.982 1.00 0.00 C ATOM 344 CG ASN A 25 8.634 -2.336 7.478 1.00 0.00 C ATOM 345 OD1 ASN A 25 7.897 -1.465 7.909 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.402 -3.105 8.244 1.00 0.00 N ATOM 0 H ASN A 25 8.537 -2.436 3.501 1.00 0.00 H new ATOM 0 HA ASN A 25 8.641 -0.516 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.797 -3.007 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.486 -3.422 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.397 -2.983 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.997 -3.816 7.819 1.00 0.00 H new ATOM 353 N GLU A 26 11.213 -1.757 6.403 1.00 0.00 N ATOM 354 CA GLU A 26 12.644 -1.686 6.641 1.00 0.00 C ATOM 355 C GLU A 26 13.394 -2.553 5.627 1.00 0.00 C ATOM 356 O GLU A 26 14.576 -2.330 5.368 1.00 0.00 O ATOM 357 CB GLU A 26 12.983 -2.101 8.074 1.00 0.00 C ATOM 358 CG GLU A 26 14.022 -1.158 8.686 1.00 0.00 C ATOM 359 CD GLU A 26 14.155 -1.394 10.192 1.00 0.00 C ATOM 360 OE1 GLU A 26 13.094 -1.506 10.844 1.00 0.00 O ATOM 361 OE2 GLU A 26 15.314 -1.455 10.657 1.00 0.00 O ATOM 0 H GLU A 26 10.683 -2.237 7.131 1.00 0.00 H new ATOM 0 HA GLU A 26 12.963 -0.652 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.078 -2.095 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.365 -3.122 8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.987 -1.312 8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.734 -0.123 8.500 1.00 0.00 H new ATOM 368 N GLU A 27 12.677 -3.524 5.082 1.00 0.00 N ATOM 369 CA GLU A 27 13.260 -4.426 4.102 1.00 0.00 C ATOM 370 C GLU A 27 12.191 -4.903 3.117 1.00 0.00 C ATOM 371 O GLU A 27 12.398 -5.876 2.394 1.00 0.00 O ATOM 372 CB GLU A 27 13.944 -5.611 4.786 1.00 0.00 C ATOM 373 CG GLU A 27 14.007 -5.408 6.302 1.00 0.00 C ATOM 374 CD GLU A 27 14.654 -6.612 6.989 1.00 0.00 C ATOM 375 OE1 GLU A 27 15.869 -6.805 6.769 1.00 0.00 O ATOM 376 OE2 GLU A 27 13.919 -7.309 7.721 1.00 0.00 O ATOM 0 H GLU A 27 11.697 -3.707 5.300 1.00 0.00 H new ATOM 0 HA GLU A 27 14.022 -3.882 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.401 -6.529 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.952 -5.732 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.576 -4.506 6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.001 -5.258 6.695 1.00 0.00 H new ATOM 383 N GLY A 28 11.070 -4.197 3.122 1.00 0.00 N ATOM 384 CA GLY A 28 9.968 -4.536 2.239 1.00 0.00 C ATOM 385 C GLY A 28 9.269 -5.817 2.700 1.00 0.00 C ATOM 386 O GLY A 28 8.696 -6.543 1.889 1.00 0.00 O ATOM 0 H GLY A 28 10.901 -3.391 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.251 -3.715 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.339 -4.666 1.222 1.00 0.00 H new ATOM 390 N ASP A 29 9.339 -6.055 4.001 1.00 0.00 N ATOM 391 CA ASP A 29 8.721 -7.235 4.581 1.00 0.00 C ATOM 392 C ASP A 29 7.266 -6.920 4.938 1.00 0.00 C ATOM 393 O ASP A 29 6.508 -7.814 5.312 1.00 0.00 O ATOM 394 CB ASP A 29 9.441 -7.661 5.862 1.00 0.00 C ATOM 395 CG ASP A 29 9.577 -9.173 6.054 1.00 0.00 C ATOM 396 OD1 ASP A 29 9.653 -9.871 5.020 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.605 -9.595 7.230 1.00 0.00 O ATOM 0 H ASP A 29 9.815 -5.450 4.671 1.00 0.00 H new ATOM 0 HA ASP A 29 8.780 -8.041 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.437 -7.218 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.905 -7.248 6.717 1.00 0.00 H new ATOM 402 N LYS A 30 6.921 -5.647 4.812 1.00 0.00 N ATOM 403 CA LYS A 30 5.572 -5.203 5.116 1.00 0.00 C ATOM 404 C LYS A 30 5.391 -3.764 4.630 1.00 0.00 C ATOM 405 O LYS A 30 5.629 -2.818 5.377 1.00 0.00 O ATOM 406 CB LYS A 30 5.269 -5.392 6.604 1.00 0.00 C ATOM 407 CG LYS A 30 3.779 -5.194 6.890 1.00 0.00 C ATOM 408 CD LYS A 30 3.392 -5.809 8.236 1.00 0.00 C ATOM 409 CE LYS A 30 2.435 -4.895 9.002 1.00 0.00 C ATOM 410 NZ LYS A 30 3.189 -3.986 9.893 1.00 0.00 N ATOM 0 H LYS A 30 7.553 -4.909 4.503 1.00 0.00 H new ATOM 0 HA LYS A 30 4.841 -5.813 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.573 -6.391 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.853 -4.683 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.544 -4.130 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.189 -5.650 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.923 -6.779 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.288 -5.983 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.838 -4.313 8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.740 -5.496 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.524 -3.372 10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.740 -4.546 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.834 -3.400 9.326 1.00 0.00 H new ATOM 423 N ALA A 31 4.970 -3.644 3.378 1.00 0.00 N ATOM 424 CA ALA A 31 4.754 -2.337 2.783 1.00 0.00 C ATOM 425 C ALA A 31 4.125 -1.406 3.821 1.00 0.00 C ATOM 426 O ALA A 31 3.054 -1.697 4.353 1.00 0.00 O ATOM 427 CB ALA A 31 3.889 -2.483 1.530 1.00 0.00 C ATOM 0 H ALA A 31 4.773 -4.431 2.760 1.00 0.00 H new ATOM 0 HA ALA A 31 5.701 -1.894 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.727 -1.502 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.394 -3.129 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.929 -2.922 1.800 1.00 0.00 H new ATOM 433 N VAL A 32 4.816 -0.305 4.079 1.00 0.00 N ATOM 434 CA VAL A 32 4.337 0.669 5.044 1.00 0.00 C ATOM 435 C VAL A 32 3.611 1.796 4.307 1.00 0.00 C ATOM 436 O VAL A 32 3.668 1.879 3.081 1.00 0.00 O ATOM 437 CB VAL A 32 5.501 1.169 5.904 1.00 0.00 C ATOM 438 CG1 VAL A 32 5.006 2.121 6.994 1.00 0.00 C ATOM 439 CG2 VAL A 32 6.278 -0.002 6.509 1.00 0.00 C ATOM 0 H VAL A 32 5.703 -0.066 3.636 1.00 0.00 H new ATOM 0 HA VAL A 32 3.620 0.211 5.725 1.00 0.00 H new ATOM 0 HB VAL A 32 6.182 1.724 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.852 2.462 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.518 2.980 6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.295 1.601 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.099 0.381 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.612 -0.596 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.677 -0.626 5.709 1.00 0.00 H new ATOM 449 N VAL A 33 2.946 2.637 5.085 1.00 0.00 N ATOM 450 CA VAL A 33 2.209 3.755 4.522 1.00 0.00 C ATOM 451 C VAL A 33 3.060 5.023 4.622 1.00 0.00 C ATOM 452 O VAL A 33 3.789 5.211 5.595 1.00 0.00 O ATOM 453 CB VAL A 33 0.851 3.890 5.214 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.054 5.061 4.635 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.056 2.586 5.121 1.00 0.00 C ATOM 0 H VAL A 33 2.902 2.566 6.102 1.00 0.00 H new ATOM 0 HA VAL A 33 2.004 3.583 3.465 1.00 0.00 H new ATOM 0 HB VAL A 33 1.032 4.097 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.907 5.134 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.612 5.987 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.112 4.897 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.905 2.709 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.109 2.335 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.615 1.784 5.603 1.00 0.00 H new ATOM 465 N ILE A 34 2.939 5.861 3.603 1.00 0.00 N ATOM 466 CA ILE A 34 3.688 7.105 3.564 1.00 0.00 C ATOM 467 C ILE A 34 2.712 8.281 3.501 1.00 0.00 C ATOM 468 O ILE A 34 2.960 9.332 4.090 1.00 0.00 O ATOM 469 CB ILE A 34 4.701 7.085 2.418 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.614 5.776 1.631 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.117 7.349 2.934 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.452 5.846 0.354 1.00 0.00 C ATOM 0 H ILE A 34 2.333 5.703 2.798 1.00 0.00 H new ATOM 0 HA ILE A 34 4.274 7.225 4.475 1.00 0.00 H new ATOM 0 HB ILE A 34 4.452 7.892 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.961 4.950 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.574 5.569 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.818 7.329 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.153 8.327 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.391 6.579 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.372 4.902 -0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.087 6.657 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.495 6.029 0.613 1.00 0.00 H new ATOM 484 N ASN A 35 1.621 8.066 2.781 1.00 0.00 N ATOM 485 CA ASN A 35 0.605 9.094 2.633 1.00 0.00 C ATOM 486 C ASN A 35 -0.696 8.617 3.280 1.00 0.00 C ATOM 487 O ASN A 35 -1.555 8.046 2.610 1.00 0.00 O ATOM 488 CB ASN A 35 0.322 9.381 1.157 1.00 0.00 C ATOM 489 CG ASN A 35 -0.148 10.823 0.958 1.00 0.00 C ATOM 490 OD1 ASN A 35 -1.025 11.317 1.645 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.485 11.468 -0.018 1.00 0.00 N ATOM 0 H ASN A 35 1.418 7.194 2.293 1.00 0.00 H new ATOM 0 HA ASN A 35 0.972 10.001 3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.223 9.204 0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.439 8.693 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.245 12.437 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.211 10.994 -0.555 1.00 0.00 H new ATOM 498 N PRO A 36 -0.804 8.876 4.612 1.00 0.00 N ATOM 499 CA PRO A 36 -1.988 8.480 5.357 1.00 0.00 C ATOM 500 C PRO A 36 -3.167 9.404 5.046 1.00 0.00 C ATOM 501 O PRO A 36 -3.998 9.667 5.913 1.00 0.00 O ATOM 502 CB PRO A 36 -1.565 8.525 6.816 1.00 0.00 C ATOM 503 CG PRO A 36 -0.314 9.387 6.861 1.00 0.00 C ATOM 504 CD PRO A 36 0.192 9.550 5.438 1.00 0.00 C ATOM 0 HA PRO A 36 -2.342 7.485 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.353 8.948 7.438 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.363 7.523 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.536 10.359 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.448 8.921 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.284 10.602 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.178 9.102 5.314 1.00 0.00 H new ATOM 512 N ASP A 37 -3.201 9.870 3.806 1.00 0.00 N ATOM 513 CA ASP A 37 -4.264 10.759 3.370 1.00 0.00 C ATOM 514 C ASP A 37 -3.930 11.303 1.980 1.00 0.00 C ATOM 515 O ASP A 37 -4.123 12.489 1.711 1.00 0.00 O ATOM 516 CB ASP A 37 -4.413 11.948 4.321 1.00 0.00 C ATOM 517 CG ASP A 37 -5.456 12.985 3.902 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.655 12.698 4.104 1.00 0.00 O ATOM 519 OD2 ASP A 37 -5.031 14.042 3.389 1.00 0.00 O ATOM 0 H ASP A 37 -2.509 9.648 3.090 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.194 10.191 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.674 11.572 5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.447 12.444 4.413 1.00 0.00 H new ATOM 524 N SER A 38 -3.435 10.412 1.134 1.00 0.00 N ATOM 525 CA SER A 38 -3.073 10.789 -0.222 1.00 0.00 C ATOM 526 C SER A 38 -4.314 11.253 -0.986 1.00 0.00 C ATOM 527 O SER A 38 -5.373 11.457 -0.393 1.00 0.00 O ATOM 528 CB SER A 38 -2.402 9.626 -0.955 1.00 0.00 C ATOM 529 OG SER A 38 -1.291 10.058 -1.736 1.00 0.00 O ATOM 0 H SER A 38 -3.276 9.430 1.361 1.00 0.00 H new ATOM 0 HA SER A 38 -2.359 11.611 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.069 8.884 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.130 9.136 -1.601 1.00 0.00 H new ATOM 0 HG SER A 38 -1.443 10.977 -2.042 1.00 0.00 H new ATOM 535 N ASP A 39 -4.144 11.406 -2.291 1.00 0.00 N ATOM 536 CA ASP A 39 -5.237 11.843 -3.142 1.00 0.00 C ATOM 537 C ASP A 39 -4.851 11.635 -4.608 1.00 0.00 C ATOM 538 O ASP A 39 -5.292 12.381 -5.481 1.00 0.00 O ATOM 539 CB ASP A 39 -5.536 13.329 -2.937 1.00 0.00 C ATOM 540 CG ASP A 39 -6.983 13.652 -2.561 1.00 0.00 C ATOM 541 OD1 ASP A 39 -7.404 13.192 -1.477 1.00 0.00 O ATOM 542 OD2 ASP A 39 -7.636 14.353 -3.365 1.00 0.00 O ATOM 0 H ASP A 39 -3.265 11.235 -2.780 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.120 11.259 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.879 13.712 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.287 13.864 -3.853 1.00 0.00 H new ATOM 547 N LEU A 40 -4.031 10.619 -4.833 1.00 0.00 N ATOM 548 CA LEU A 40 -3.580 10.304 -6.178 1.00 0.00 C ATOM 549 C LEU A 40 -4.546 9.299 -6.812 1.00 0.00 C ATOM 550 O LEU A 40 -5.635 9.065 -6.291 1.00 0.00 O ATOM 551 CB LEU A 40 -2.126 9.831 -6.158 1.00 0.00 C ATOM 552 CG LEU A 40 -1.108 10.817 -5.581 1.00 0.00 C ATOM 553 CD1 LEU A 40 0.243 10.687 -6.288 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.645 12.249 -5.628 1.00 0.00 C ATOM 0 H LEU A 40 -3.667 10.003 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.592 11.197 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.073 8.907 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.829 9.589 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.947 10.568 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.948 11.399 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.625 9.675 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.119 10.895 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.902 12.930 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.853 12.526 -6.662 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.563 12.313 -5.044 1.00 0.00 H new ATOM 566 N ASP A 41 -4.110 8.735 -7.929 1.00 0.00 N ATOM 567 CA ASP A 41 -4.922 7.761 -8.640 1.00 0.00 C ATOM 568 C ASP A 41 -4.116 6.475 -8.832 1.00 0.00 C ATOM 569 O ASP A 41 -4.342 5.733 -9.786 1.00 0.00 O ATOM 570 CB ASP A 41 -5.319 8.280 -10.023 1.00 0.00 C ATOM 571 CG ASP A 41 -6.395 7.460 -10.738 1.00 0.00 C ATOM 572 OD1 ASP A 41 -7.554 7.515 -10.272 1.00 0.00 O ATOM 573 OD2 ASP A 41 -6.034 6.795 -11.733 1.00 0.00 O ATOM 0 H ASP A 41 -3.206 8.933 -8.359 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.821 7.577 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.673 9.306 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.429 8.311 -10.652 1.00 0.00 H new ATOM 578 N CYS A 42 -3.192 6.250 -7.910 1.00 0.00 N ATOM 579 CA CYS A 42 -2.351 5.066 -7.965 1.00 0.00 C ATOM 580 C CYS A 42 -2.818 4.094 -6.880 1.00 0.00 C ATOM 581 O CYS A 42 -2.396 2.939 -6.853 1.00 0.00 O ATOM 582 CB CYS A 42 -0.869 5.417 -7.818 1.00 0.00 C ATOM 583 SG CYS A 42 -0.523 6.841 -6.722 1.00 0.00 S ATOM 0 H CYS A 42 -3.007 6.868 -7.120 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.449 4.593 -8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.340 4.545 -7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.461 5.629 -8.806 1.00 0.00 H new ATOM 588 N VAL A 43 -3.682 4.597 -6.011 1.00 0.00 N ATOM 589 CA VAL A 43 -4.210 3.788 -4.927 1.00 0.00 C ATOM 590 C VAL A 43 -5.194 2.762 -5.493 1.00 0.00 C ATOM 591 O VAL A 43 -5.035 1.561 -5.283 1.00 0.00 O ATOM 592 CB VAL A 43 -4.836 4.688 -3.858 1.00 0.00 C ATOM 593 CG1 VAL A 43 -5.377 3.860 -2.692 1.00 0.00 C ATOM 594 CG2 VAL A 43 -3.833 5.735 -3.369 1.00 0.00 C ATOM 0 H VAL A 43 -4.030 5.556 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.407 3.235 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.676 5.214 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.816 4.524 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.138 3.171 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.563 3.294 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.302 6.362 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.965 5.235 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.517 6.356 -4.207 1.00 0.00 H new ATOM 604 N GLU A 44 -6.190 3.273 -6.203 1.00 0.00 N ATOM 605 CA GLU A 44 -7.199 2.417 -6.803 1.00 0.00 C ATOM 606 C GLU A 44 -6.537 1.232 -7.510 1.00 0.00 C ATOM 607 O GLU A 44 -7.158 0.185 -7.688 1.00 0.00 O ATOM 608 CB GLU A 44 -8.085 3.206 -7.767 1.00 0.00 C ATOM 609 CG GLU A 44 -9.536 2.725 -7.697 1.00 0.00 C ATOM 610 CD GLU A 44 -10.461 3.839 -7.201 1.00 0.00 C ATOM 611 OE1 GLU A 44 -10.179 4.362 -6.101 1.00 0.00 O ATOM 612 OE2 GLU A 44 -11.427 4.143 -7.933 1.00 0.00 O ATOM 0 H GLU A 44 -6.319 4.270 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.838 2.030 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.038 4.267 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.710 3.095 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.860 2.391 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.606 1.866 -7.030 1.00 0.00 H new ATOM 619 N GLU A 45 -5.286 1.437 -7.894 1.00 0.00 N ATOM 620 CA GLU A 45 -4.534 0.400 -8.578 1.00 0.00 C ATOM 621 C GLU A 45 -3.829 -0.502 -7.562 1.00 0.00 C ATOM 622 O GLU A 45 -3.700 -1.706 -7.780 1.00 0.00 O ATOM 623 CB GLU A 45 -3.531 1.006 -9.561 1.00 0.00 C ATOM 624 CG GLU A 45 -3.857 2.475 -9.839 1.00 0.00 C ATOM 625 CD GLU A 45 -3.141 2.966 -11.099 1.00 0.00 C ATOM 626 OE1 GLU A 45 -3.733 2.808 -12.188 1.00 0.00 O ATOM 627 OE2 GLU A 45 -2.016 3.490 -10.945 1.00 0.00 O ATOM 0 H GLU A 45 -4.774 2.307 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.233 -0.208 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.523 0.924 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.545 0.443 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.934 2.596 -9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.560 3.085 -8.986 1.00 0.00 H new ATOM 634 N ALA A 46 -3.393 0.115 -6.474 1.00 0.00 N ATOM 635 CA ALA A 46 -2.704 -0.618 -5.425 1.00 0.00 C ATOM 636 C ALA A 46 -3.666 -1.631 -4.801 1.00 0.00 C ATOM 637 O ALA A 46 -3.234 -2.627 -4.223 1.00 0.00 O ATOM 638 CB ALA A 46 -2.148 0.368 -4.395 1.00 0.00 C ATOM 0 H ALA A 46 -3.503 1.113 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.860 -1.173 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.631 -0.181 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.449 1.048 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.967 0.940 -3.960 1.00 0.00 H new ATOM 644 N ILE A 47 -4.951 -1.342 -4.939 1.00 0.00 N ATOM 645 CA ILE A 47 -5.977 -2.216 -4.396 1.00 0.00 C ATOM 646 C ILE A 47 -6.377 -3.245 -5.456 1.00 0.00 C ATOM 647 O ILE A 47 -6.387 -4.446 -5.186 1.00 0.00 O ATOM 648 CB ILE A 47 -7.153 -1.395 -3.863 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.928 -1.001 -2.402 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.475 -2.139 -4.059 1.00 0.00 C ATOM 651 CD1 ILE A 47 -6.272 0.377 -2.300 1.00 0.00 C ATOM 0 H ILE A 47 -5.306 -0.515 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.591 -2.771 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.215 -0.472 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.881 -0.994 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.298 -1.745 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.294 -1.533 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.633 -2.326 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.441 -3.088 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.123 0.632 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.308 0.360 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.916 1.122 -2.767 1.00 0.00 H new ATOM 663 N ASP A 48 -6.695 -2.738 -6.637 1.00 0.00 N ATOM 664 CA ASP A 48 -7.093 -3.599 -7.738 1.00 0.00 C ATOM 665 C ASP A 48 -5.916 -4.492 -8.134 1.00 0.00 C ATOM 666 O ASP A 48 -6.108 -5.547 -8.736 1.00 0.00 O ATOM 667 CB ASP A 48 -7.496 -2.776 -8.964 1.00 0.00 C ATOM 668 CG ASP A 48 -8.791 -3.222 -9.645 1.00 0.00 C ATOM 669 OD1 ASP A 48 -8.845 -4.406 -10.040 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.697 -2.368 -9.756 1.00 0.00 O ATOM 0 H ASP A 48 -6.685 -1.742 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.944 -4.195 -7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.601 -1.733 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.687 -2.818 -9.693 1.00 0.00 H new ATOM 675 N SER A 49 -4.723 -4.035 -7.781 1.00 0.00 N ATOM 676 CA SER A 49 -3.514 -4.778 -8.092 1.00 0.00 C ATOM 677 C SER A 49 -3.168 -5.722 -6.938 1.00 0.00 C ATOM 678 O SER A 49 -2.366 -6.640 -7.101 1.00 0.00 O ATOM 679 CB SER A 49 -2.344 -3.835 -8.375 1.00 0.00 C ATOM 680 OG SER A 49 -2.607 -2.975 -9.481 1.00 0.00 O ATOM 0 H SER A 49 -4.568 -3.159 -7.282 1.00 0.00 H new ATOM 0 HA SER A 49 -3.697 -5.366 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.140 -3.234 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.447 -4.420 -8.576 1.00 0.00 H new ATOM 0 HG SER A 49 -2.903 -2.101 -9.152 1.00 0.00 H new ATOM 686 N CYS A 50 -3.793 -5.464 -5.798 1.00 0.00 N ATOM 687 CA CYS A 50 -3.560 -6.278 -4.617 1.00 0.00 C ATOM 688 C CYS A 50 -4.545 -7.449 -4.640 1.00 0.00 C ATOM 689 O CYS A 50 -5.752 -7.253 -4.502 1.00 0.00 O ATOM 690 CB CYS A 50 -3.679 -5.457 -3.331 1.00 0.00 C ATOM 691 SG CYS A 50 -3.403 -6.404 -1.788 1.00 0.00 S ATOM 0 H CYS A 50 -4.460 -4.703 -5.667 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.540 -6.662 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.961 -4.638 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.672 -5.009 -3.293 1.00 0.00 H new ATOM 0 HG CYS A 50 -2.542 -5.777 -1.042 1.00 0.00 H new ATOM 696 N PRO A 51 -3.979 -8.673 -4.820 1.00 0.00 N ATOM 697 CA PRO A 51 -4.793 -9.875 -4.864 1.00 0.00 C ATOM 698 C PRO A 51 -5.271 -10.264 -3.463 1.00 0.00 C ATOM 699 O PRO A 51 -6.365 -10.803 -3.304 1.00 0.00 O ATOM 700 CB PRO A 51 -3.904 -10.929 -5.502 1.00 0.00 C ATOM 701 CG PRO A 51 -2.482 -10.413 -5.368 1.00 0.00 C ATOM 702 CD PRO A 51 -2.554 -8.943 -4.988 1.00 0.00 C ATOM 0 HA PRO A 51 -5.708 -9.743 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.019 -11.891 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.167 -11.080 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.941 -10.978 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.940 -10.539 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.002 -8.744 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.120 -8.312 -5.763 1.00 0.00 H new ATOM 710 N ALA A 52 -4.426 -9.975 -2.484 1.00 0.00 N ATOM 711 CA ALA A 52 -4.749 -10.289 -1.101 1.00 0.00 C ATOM 712 C ALA A 52 -5.585 -9.154 -0.508 1.00 0.00 C ATOM 713 O ALA A 52 -6.081 -9.264 0.612 1.00 0.00 O ATOM 714 CB ALA A 52 -3.457 -10.533 -0.319 1.00 0.00 C ATOM 0 H ALA A 52 -3.520 -9.528 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.343 -11.201 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.698 -10.768 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.914 -11.367 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.837 -9.637 -0.353 1.00 0.00 H new ATOM 720 N GLU A 53 -5.716 -8.089 -1.285 1.00 0.00 N ATOM 721 CA GLU A 53 -6.483 -6.934 -0.850 1.00 0.00 C ATOM 722 C GLU A 53 -6.310 -6.719 0.655 1.00 0.00 C ATOM 723 O GLU A 53 -7.285 -6.488 1.369 1.00 0.00 O ATOM 724 CB GLU A 53 -7.960 -7.088 -1.216 1.00 0.00 C ATOM 725 CG GLU A 53 -8.519 -5.790 -1.800 1.00 0.00 C ATOM 726 CD GLU A 53 -8.658 -4.716 -0.719 1.00 0.00 C ATOM 727 OE1 GLU A 53 -9.247 -5.045 0.334 1.00 0.00 O ATOM 728 OE2 GLU A 53 -8.173 -3.593 -0.970 1.00 0.00 O ATOM 0 H GLU A 53 -5.304 -8.002 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.104 -6.053 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.077 -7.896 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.530 -7.368 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.862 -5.431 -2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.491 -5.981 -2.255 1.00 0.00 H new ATOM 735 N ALA A 54 -5.062 -6.800 1.093 1.00 0.00 N ATOM 736 CA ALA A 54 -4.750 -6.618 2.500 1.00 0.00 C ATOM 737 C ALA A 54 -4.730 -5.123 2.824 1.00 0.00 C ATOM 738 O ALA A 54 -4.783 -4.735 3.991 1.00 0.00 O ATOM 739 CB ALA A 54 -3.419 -7.300 2.821 1.00 0.00 C ATOM 0 H ALA A 54 -4.255 -6.989 0.498 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.513 -7.082 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.185 -7.163 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.493 -8.365 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.628 -6.859 2.214 1.00 0.00 H new ATOM 745 N ILE A 55 -4.656 -4.322 1.770 1.00 0.00 N ATOM 746 CA ILE A 55 -4.629 -2.878 1.928 1.00 0.00 C ATOM 747 C ILE A 55 -6.062 -2.344 1.941 1.00 0.00 C ATOM 748 O ILE A 55 -6.787 -2.474 0.956 1.00 0.00 O ATOM 749 CB ILE A 55 -3.745 -2.239 0.855 1.00 0.00 C ATOM 750 CG1 ILE A 55 -4.061 -2.812 -0.529 1.00 0.00 C ATOM 751 CG2 ILE A 55 -2.263 -2.380 1.209 1.00 0.00 C ATOM 752 CD1 ILE A 55 -3.511 -1.908 -1.634 1.00 0.00 C ATOM 0 H ILE A 55 -4.614 -4.646 0.804 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.179 -2.607 2.883 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.967 -1.172 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.630 -3.809 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.140 -2.919 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.657 -1.917 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.068 -1.887 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.007 -3.436 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.749 -2.337 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.962 -0.919 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.429 -1.823 -1.530 1.00 0.00 H new ATOM 764 N VAL A 56 -6.430 -1.755 3.070 1.00 0.00 N ATOM 765 CA VAL A 56 -7.764 -1.202 3.225 1.00 0.00 C ATOM 766 C VAL A 56 -7.669 0.322 3.332 1.00 0.00 C ATOM 767 O VAL A 56 -6.600 0.864 3.607 1.00 0.00 O ATOM 768 CB VAL A 56 -8.461 -1.843 4.427 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.004 -3.229 4.070 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.520 -1.917 5.631 1.00 0.00 C ATOM 0 H VAL A 56 -5.827 -1.649 3.886 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.376 -1.430 2.352 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.306 -1.211 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.495 -3.663 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.723 -3.139 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.181 -3.873 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.040 -2.377 6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.646 -2.516 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.202 -0.911 5.907 1.00 0.00 H new ATOM 780 N ARG A 57 -8.804 0.970 3.110 1.00 0.00 N ATOM 781 CA ARG A 57 -8.862 2.420 3.178 1.00 0.00 C ATOM 782 C ARG A 57 -9.556 2.863 4.468 1.00 0.00 C ATOM 783 O ARG A 57 -10.334 3.816 4.462 1.00 0.00 O ATOM 784 CB ARG A 57 -9.615 2.998 1.977 1.00 0.00 C ATOM 785 CG ARG A 57 -8.989 2.532 0.661 1.00 0.00 C ATOM 786 CD ARG A 57 -9.477 3.386 -0.511 1.00 0.00 C ATOM 787 NE ARG A 57 -10.948 3.280 -0.636 1.00 0.00 N ATOM 788 CZ ARG A 57 -11.662 3.830 -1.640 1.00 0.00 C ATOM 789 NH1 ARG A 57 -11.047 4.531 -2.617 1.00 0.00 N ATOM 790 NH2 ARG A 57 -12.974 3.673 -1.653 1.00 0.00 N ATOM 0 H ARG A 57 -9.690 0.517 2.883 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.838 2.794 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.660 2.690 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.602 4.087 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.903 2.590 0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.242 1.487 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.191 4.426 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.001 3.057 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.453 2.759 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.034 4.648 -2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.596 4.943 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.432 3.143 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.529 4.082 -2.405 1.00 0.00 H new ATOM 804 N SER A 58 -9.250 2.151 5.542 1.00 0.00 N ATOM 805 CA SER A 58 -9.835 2.458 6.836 1.00 0.00 C ATOM 806 C SER A 58 -9.921 3.974 7.024 1.00 0.00 C ATOM 807 O SER A 58 -9.894 4.466 8.151 1.00 0.00 O ATOM 808 CB SER A 58 -9.024 1.828 7.970 1.00 0.00 C ATOM 809 OG SER A 58 -9.709 1.897 9.217 1.00 0.00 O ATOM 810 OXT SER A 58 -10.017 4.705 6.052 1.00 1.00 O ATOM 0 H SER A 58 -8.604 1.362 5.543 1.00 0.00 H new ATOM 0 HA SER A 58 -10.840 2.036 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.813 0.786 7.729 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.064 2.337 8.055 1.00 0.00 H new ATOM 0 HG SER A 58 -10.088 2.793 9.333 1.00 0.00 H new