USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 385 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 Single : A 5 ASN : amide:sc= -2.22 K(o=-2.2,f=-6!) 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 24 MET CE :methyl 171:sc= -1.12 (180deg=-1.61) USER MOD Single : A 25 ASN : amide:sc= -4.29! C(o=-4.3!,f=-19!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.6) USER MOD Single : A 38 SER OG : rot -80:sc= -4.51! USER MOD Single : A 49 SER OG : rot -104:sc= 1.14 USER MOD Single : A 58 SER OG : rot 177:sc= 0.0705 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.653 7.409 6.847 1.00 0.00 N ATOM 2 CA PRO A 1 -5.623 7.077 5.878 1.00 0.00 C ATOM 3 C PRO A 1 -5.789 5.643 5.370 1.00 0.00 C ATOM 4 O PRO A 1 -6.870 5.066 5.476 1.00 0.00 O ATOM 5 CB PRO A 1 -4.308 7.300 6.609 1.00 0.00 C ATOM 6 CG PRO A 1 -4.650 7.298 8.090 1.00 0.00 C ATOM 7 CD PRO A 1 -6.159 7.430 8.220 1.00 0.00 C ATOM 0 H2 PRO A 1 -7.412 6.731 6.775 1.00 0.00 H new ATOM 0 H3 PRO A 1 -7.046 8.322 6.618 1.00 0.00 H new ATOM 0 HA PRO A 1 -5.675 7.695 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.591 6.514 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.853 8.245 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.305 6.377 8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.149 8.122 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.579 6.611 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.433 8.356 8.725 1.00 0.00 H new ATOM 15 N ILE A 2 -4.703 5.112 4.829 1.00 0.00 N ATOM 16 CA ILE A 2 -4.715 3.757 4.304 1.00 0.00 C ATOM 17 C ILE A 2 -3.907 2.848 5.233 1.00 0.00 C ATOM 18 O ILE A 2 -2.815 3.211 5.668 1.00 0.00 O ATOM 19 CB ILE A 2 -4.230 3.740 2.853 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.728 4.019 2.773 1.00 0.00 C ATOM 21 CG2 ILE A 2 -5.040 4.712 1.993 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.449 5.523 2.767 1.00 0.00 C ATOM 0 H ILE A 2 -3.809 5.595 4.743 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.732 3.367 4.280 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.393 2.740 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.223 3.555 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.318 3.566 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.675 4.680 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.092 4.426 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.931 5.723 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.374 5.693 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.935 5.980 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.839 5.969 3.682 1.00 0.00 H new ATOM 34 N GLU A 3 -4.475 1.683 5.510 1.00 0.00 N ATOM 35 CA GLU A 3 -3.821 0.720 6.379 1.00 0.00 C ATOM 36 C GLU A 3 -3.496 -0.559 5.603 1.00 0.00 C ATOM 37 O GLU A 3 -4.041 -0.791 4.526 1.00 0.00 O ATOM 38 CB GLU A 3 -4.683 0.413 7.604 1.00 0.00 C ATOM 39 CG GLU A 3 -3.815 0.041 8.807 1.00 0.00 C ATOM 40 CD GLU A 3 -4.236 0.827 10.051 1.00 0.00 C ATOM 41 OE1 GLU A 3 -5.463 0.958 10.251 1.00 0.00 O ATOM 42 OE2 GLU A 3 -3.321 1.279 10.774 1.00 0.00 O ATOM 0 H GLU A 3 -5.381 1.385 5.148 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.887 1.155 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.296 1.281 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.366 -0.406 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.897 -1.028 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.768 0.244 8.581 1.00 0.00 H new ATOM 49 N VAL A 4 -2.609 -1.355 6.183 1.00 0.00 N ATOM 50 CA VAL A 4 -2.205 -2.604 5.560 1.00 0.00 C ATOM 51 C VAL A 4 -2.514 -3.765 6.507 1.00 0.00 C ATOM 52 O VAL A 4 -2.488 -3.599 7.725 1.00 0.00 O ATOM 53 CB VAL A 4 -0.729 -2.536 5.159 1.00 0.00 C ATOM 54 CG1 VAL A 4 0.169 -2.413 6.392 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.334 -3.747 4.312 1.00 0.00 C ATOM 0 H VAL A 4 -2.159 -1.159 7.077 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.770 -2.773 4.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.588 -1.642 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.212 -2.367 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.087 -1.506 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.022 -3.279 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.719 -3.673 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.499 -4.660 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.941 -3.771 3.407 1.00 0.00 H new ATOM 65 N ASN A 5 -2.799 -4.913 5.911 1.00 0.00 N ATOM 66 CA ASN A 5 -3.112 -6.101 6.687 1.00 0.00 C ATOM 67 C ASN A 5 -1.811 -6.791 7.103 1.00 0.00 C ATOM 68 O ASN A 5 -0.726 -6.245 6.912 1.00 0.00 O ATOM 69 CB ASN A 5 -3.932 -7.096 5.864 1.00 0.00 C ATOM 70 CG ASN A 5 -5.305 -6.517 5.513 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.501 -5.316 5.439 1.00 0.00 O ATOM 72 ND2 ASN A 5 -6.242 -7.438 5.303 1.00 0.00 N ATOM 0 H ASN A 5 -2.820 -5.046 4.900 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.689 -5.792 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.395 -7.347 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.056 -8.022 6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.192 -7.154 5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.010 -8.428 5.381 1.00 0.00 H new ATOM 79 N ASP A 6 -1.964 -7.982 7.665 1.00 0.00 N ATOM 80 CA ASP A 6 -0.816 -8.752 8.110 1.00 0.00 C ATOM 81 C ASP A 6 -0.626 -9.956 7.186 1.00 0.00 C ATOM 82 O ASP A 6 0.490 -10.448 7.021 1.00 0.00 O ATOM 83 CB ASP A 6 -1.020 -9.275 9.532 1.00 0.00 C ATOM 84 CG ASP A 6 0.188 -9.989 10.140 1.00 0.00 C ATOM 85 OD1 ASP A 6 1.128 -9.270 10.545 1.00 0.00 O ATOM 86 OD2 ASP A 6 0.147 -11.238 10.186 1.00 0.00 O ATOM 0 H ASP A 6 -2.866 -8.432 7.822 1.00 0.00 H new ATOM 0 HA ASP A 6 0.056 -8.099 8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.289 -8.437 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.866 -9.962 9.532 1.00 0.00 H new ATOM 91 N ASP A 7 -1.733 -10.398 6.607 1.00 0.00 N ATOM 92 CA ASP A 7 -1.702 -11.536 5.704 1.00 0.00 C ATOM 93 C ASP A 7 -0.830 -11.198 4.494 1.00 0.00 C ATOM 94 O ASP A 7 -0.334 -12.093 3.812 1.00 0.00 O ATOM 95 CB ASP A 7 -3.105 -11.874 5.196 1.00 0.00 C ATOM 96 CG ASP A 7 -3.536 -13.327 5.402 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.005 -14.187 4.667 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.387 -13.545 6.292 1.00 0.00 O ATOM 0 H ASP A 7 -2.657 -9.989 6.746 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.301 -12.389 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.822 -11.224 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.155 -11.644 4.132 1.00 0.00 H new ATOM 103 N CYS A 8 -0.668 -9.904 4.263 1.00 0.00 N ATOM 104 CA CYS A 8 0.136 -9.436 3.147 1.00 0.00 C ATOM 105 C CYS A 8 1.526 -10.065 3.260 1.00 0.00 C ATOM 106 O CYS A 8 1.993 -10.354 4.361 1.00 0.00 O ATOM 107 CB CYS A 8 0.204 -7.908 3.100 1.00 0.00 C ATOM 108 SG CYS A 8 1.710 -7.230 2.306 1.00 0.00 S ATOM 0 H CYS A 8 -1.081 -9.164 4.831 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.326 -9.743 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.670 -7.536 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.143 -7.524 4.118 1.00 0.00 H new ATOM 113 N MET A 9 2.148 -10.260 2.106 1.00 0.00 N ATOM 114 CA MET A 9 3.475 -10.850 2.061 1.00 0.00 C ATOM 115 C MET A 9 4.528 -9.804 1.692 1.00 0.00 C ATOM 116 O MET A 9 5.332 -9.404 2.532 1.00 0.00 O ATOM 117 CB MET A 9 3.496 -11.981 1.031 1.00 0.00 C ATOM 118 CG MET A 9 4.765 -12.825 1.170 1.00 0.00 C ATOM 119 SD MET A 9 4.376 -14.393 1.928 1.00 0.00 S ATOM 120 CE MET A 9 4.412 -15.450 0.489 1.00 0.00 C ATOM 0 H MET A 9 1.757 -10.020 1.195 1.00 0.00 H new ATOM 0 HA MET A 9 3.711 -11.243 3.050 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.618 -12.613 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.441 -11.563 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.213 -12.987 0.190 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.501 -12.293 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.188 -16.475 0.785 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.668 -15.110 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.402 -15.412 0.034 1.00 0.00 H new ATOM 130 N ALA A 10 4.488 -9.390 0.434 1.00 0.00 N ATOM 131 CA ALA A 10 5.430 -8.397 -0.058 1.00 0.00 C ATOM 132 C ALA A 10 5.440 -8.423 -1.588 1.00 0.00 C ATOM 133 O ALA A 10 6.481 -8.653 -2.201 1.00 0.00 O ATOM 134 CB ALA A 10 6.813 -8.666 0.539 1.00 0.00 C ATOM 0 H ALA A 10 3.819 -9.723 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 10 5.130 -7.396 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.519 -7.922 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.758 -8.607 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.148 -9.661 0.246 1.00 0.00 H new ATOM 140 N CYS A 11 4.269 -8.185 -2.159 1.00 0.00 N ATOM 141 CA CYS A 11 4.129 -8.178 -3.605 1.00 0.00 C ATOM 142 C CYS A 11 4.846 -6.942 -4.151 1.00 0.00 C ATOM 143 O CYS A 11 5.329 -6.948 -5.282 1.00 0.00 O ATOM 144 CB CYS A 11 2.660 -8.222 -4.033 1.00 0.00 C ATOM 145 SG CYS A 11 1.953 -9.904 -4.177 1.00 0.00 S ATOM 0 H CYS A 11 3.408 -7.995 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 11 4.586 -9.076 -4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.069 -7.655 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.561 -7.718 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 11 0.708 -9.822 -4.542 1.00 0.00 H new ATOM 150 N GLU A 12 4.891 -5.909 -3.321 1.00 0.00 N ATOM 151 CA GLU A 12 5.541 -4.668 -3.707 1.00 0.00 C ATOM 152 C GLU A 12 4.875 -4.086 -4.956 1.00 0.00 C ATOM 153 O GLU A 12 5.424 -3.191 -5.596 1.00 0.00 O ATOM 154 CB GLU A 12 7.039 -4.880 -3.932 1.00 0.00 C ATOM 155 CG GLU A 12 7.372 -4.892 -5.425 1.00 0.00 C ATOM 156 CD GLU A 12 8.650 -5.689 -5.695 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.734 -5.071 -5.607 1.00 0.00 O ATOM 158 OE2 GLU A 12 8.515 -6.898 -5.983 1.00 0.00 O ATOM 0 H GLU A 12 4.488 -5.906 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 12 5.428 -3.953 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.601 -4.088 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.349 -5.822 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.543 -5.327 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.494 -3.870 -5.782 1.00 0.00 H new ATOM 165 N ALA A 13 3.702 -4.619 -5.265 1.00 0.00 N ATOM 166 CA ALA A 13 2.956 -4.164 -6.426 1.00 0.00 C ATOM 167 C ALA A 13 2.421 -2.755 -6.162 1.00 0.00 C ATOM 168 O ALA A 13 2.572 -1.864 -6.997 1.00 0.00 O ATOM 169 CB ALA A 13 1.840 -5.163 -6.739 1.00 0.00 C ATOM 0 H ALA A 13 3.250 -5.362 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 13 3.602 -4.112 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.280 -4.822 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.275 -6.141 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.169 -5.239 -5.883 1.00 0.00 H new ATOM 175 N CYS A 14 1.807 -2.598 -4.999 1.00 0.00 N ATOM 176 CA CYS A 14 1.249 -1.311 -4.615 1.00 0.00 C ATOM 177 C CYS A 14 2.390 -0.296 -4.541 1.00 0.00 C ATOM 178 O CYS A 14 2.199 0.881 -4.844 1.00 0.00 O ATOM 179 CB CYS A 14 0.478 -1.401 -3.297 1.00 0.00 C ATOM 180 SG CYS A 14 1.494 -1.851 -1.842 1.00 0.00 S ATOM 0 H CYS A 14 1.683 -3.340 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 14 0.525 -0.987 -5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.000 -0.440 -3.106 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.319 -2.137 -3.408 1.00 0.00 H new ATOM 185 N VAL A 15 3.552 -0.787 -4.135 1.00 0.00 N ATOM 186 CA VAL A 15 4.725 0.064 -4.017 1.00 0.00 C ATOM 187 C VAL A 15 5.273 0.366 -5.413 1.00 0.00 C ATOM 188 O VAL A 15 5.842 1.432 -5.642 1.00 0.00 O ATOM 189 CB VAL A 15 5.757 -0.594 -3.098 1.00 0.00 C ATOM 190 CG1 VAL A 15 7.032 0.249 -3.017 1.00 0.00 C ATOM 191 CG2 VAL A 15 5.173 -0.840 -1.706 1.00 0.00 C ATOM 0 H VAL A 15 3.707 -1.763 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 15 4.462 1.017 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 15 6.020 -1.561 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.750 -0.239 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.464 0.351 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.791 1.236 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.927 -1.308 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.869 0.110 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.307 -1.497 -1.786 1.00 0.00 H new ATOM 201 N GLU A 16 5.081 -0.591 -6.309 1.00 0.00 N ATOM 202 CA GLU A 16 5.549 -0.440 -7.676 1.00 0.00 C ATOM 203 C GLU A 16 4.552 0.386 -8.491 1.00 0.00 C ATOM 204 O GLU A 16 4.882 0.878 -9.569 1.00 0.00 O ATOM 205 CB GLU A 16 5.792 -1.803 -8.326 1.00 0.00 C ATOM 206 CG GLU A 16 7.287 -2.117 -8.403 1.00 0.00 C ATOM 207 CD GLU A 16 7.561 -3.249 -9.394 1.00 0.00 C ATOM 208 OE1 GLU A 16 6.773 -3.361 -10.359 1.00 0.00 O ATOM 209 OE2 GLU A 16 8.551 -3.977 -9.166 1.00 0.00 O ATOM 0 H GLU A 16 4.608 -1.474 -6.115 1.00 0.00 H new ATOM 0 HA GLU A 16 6.500 0.091 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.283 -2.578 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.363 -1.813 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.834 -1.224 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.654 -2.397 -7.416 1.00 0.00 H new ATOM 216 N ILE A 17 3.351 0.514 -7.944 1.00 0.00 N ATOM 217 CA ILE A 17 2.304 1.272 -8.607 1.00 0.00 C ATOM 218 C ILE A 17 2.298 2.704 -8.068 1.00 0.00 C ATOM 219 O ILE A 17 2.164 3.658 -8.832 1.00 0.00 O ATOM 220 CB ILE A 17 0.958 0.558 -8.469 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.154 0.649 -9.769 1.00 0.00 C ATOM 222 CG2 ILE A 17 0.173 1.094 -7.271 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.121 2.106 -10.142 1.00 0.00 C ATOM 0 H ILE A 17 3.081 0.105 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 17 2.498 1.335 -9.678 1.00 0.00 H new ATOM 0 HB ILE A 17 1.149 -0.499 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.702 0.161 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.789 0.115 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.780 0.569 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.748 0.935 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.010 2.160 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.693 2.142 -11.069 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.690 2.584 -9.345 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.824 2.631 -10.278 1.00 0.00 H new ATOM 235 N CYS A 18 2.445 2.809 -6.755 1.00 0.00 N ATOM 236 CA CYS A 18 2.459 4.108 -6.105 1.00 0.00 C ATOM 237 C CYS A 18 3.381 4.026 -4.887 1.00 0.00 C ATOM 238 O CYS A 18 2.921 3.802 -3.769 1.00 0.00 O ATOM 239 CB CYS A 18 1.048 4.564 -5.722 1.00 0.00 C ATOM 240 SG CYS A 18 0.761 6.366 -5.861 1.00 0.00 S ATOM 0 H CYS A 18 2.555 2.015 -6.124 1.00 0.00 H new ATOM 0 HA CYS A 18 2.838 4.860 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.329 4.046 -6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.848 4.256 -4.696 1.00 0.00 H new ATOM 245 N PRO A 19 4.701 4.219 -5.153 1.00 0.00 N ATOM 246 CA PRO A 19 5.693 4.169 -4.092 1.00 0.00 C ATOM 247 C PRO A 19 5.644 5.438 -3.237 1.00 0.00 C ATOM 248 O PRO A 19 6.450 5.605 -2.322 1.00 0.00 O ATOM 249 CB PRO A 19 7.022 3.984 -4.804 1.00 0.00 C ATOM 250 CG PRO A 19 6.784 4.401 -6.247 1.00 0.00 C ATOM 251 CD PRO A 19 5.283 4.487 -6.464 1.00 0.00 C ATOM 0 HA PRO A 19 5.517 3.355 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.799 4.594 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.355 2.948 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.255 5.363 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.228 3.678 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.992 5.471 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.948 3.758 -7.202 1.00 0.00 H new ATOM 259 N ASP A 20 4.692 6.298 -3.564 1.00 0.00 N ATOM 260 CA ASP A 20 4.528 7.546 -2.837 1.00 0.00 C ATOM 261 C ASP A 20 3.400 7.391 -1.816 1.00 0.00 C ATOM 262 O ASP A 20 3.243 8.227 -0.928 1.00 0.00 O ATOM 263 CB ASP A 20 4.157 8.689 -3.784 1.00 0.00 C ATOM 264 CG ASP A 20 4.533 10.087 -3.288 1.00 0.00 C ATOM 265 OD1 ASP A 20 5.748 10.381 -3.287 1.00 0.00 O ATOM 266 OD2 ASP A 20 3.597 10.829 -2.921 1.00 0.00 O ATOM 0 H ASP A 20 4.026 6.156 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 20 5.473 7.778 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.643 8.518 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.082 8.660 -3.961 1.00 0.00 H new ATOM 271 N VAL A 21 2.641 6.317 -1.978 1.00 0.00 N ATOM 272 CA VAL A 21 1.532 6.043 -1.080 1.00 0.00 C ATOM 273 C VAL A 21 1.879 4.841 -0.199 1.00 0.00 C ATOM 274 O VAL A 21 1.441 4.760 0.948 1.00 0.00 O ATOM 275 CB VAL A 21 0.246 5.842 -1.884 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.951 5.621 -0.958 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.001 7.021 -2.828 1.00 0.00 C ATOM 0 H VAL A 21 2.772 5.627 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 21 1.358 6.892 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 21 0.368 4.946 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.852 5.481 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.779 4.735 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.076 6.489 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.921 6.853 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.092 7.939 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.834 7.112 -3.522 1.00 0.00 H new ATOM 287 N PHE A 22 2.663 3.938 -0.768 1.00 0.00 N ATOM 288 CA PHE A 22 3.075 2.745 -0.048 1.00 0.00 C ATOM 289 C PHE A 22 4.569 2.476 -0.240 1.00 0.00 C ATOM 290 O PHE A 22 5.045 2.376 -1.369 1.00 0.00 O ATOM 291 CB PHE A 22 2.281 1.574 -0.631 1.00 0.00 C ATOM 292 CG PHE A 22 0.766 1.796 -0.646 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.053 1.690 0.507 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.134 2.098 -1.812 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.352 1.897 0.495 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.271 2.304 -1.824 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.984 2.199 -0.672 1.00 0.00 C ATOM 0 H PHE A 22 3.024 4.008 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 22 2.890 2.873 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.621 1.389 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.501 0.676 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.555 1.448 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.700 2.181 -2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.918 1.815 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.773 2.544 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.053 2.355 -0.682 1.00 0.00 H new ATOM 307 N GLU A 23 5.266 2.367 0.882 1.00 0.00 N ATOM 308 CA GLU A 23 6.696 2.112 0.852 1.00 0.00 C ATOM 309 C GLU A 23 7.035 0.885 1.700 1.00 0.00 C ATOM 310 O GLU A 23 6.240 0.468 2.541 1.00 0.00 O ATOM 311 CB GLU A 23 7.482 3.338 1.324 1.00 0.00 C ATOM 312 CG GLU A 23 8.640 2.929 2.235 1.00 0.00 C ATOM 313 CD GLU A 23 9.369 4.160 2.780 1.00 0.00 C ATOM 314 OE1 GLU A 23 9.118 5.256 2.235 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.160 3.976 3.730 1.00 0.00 O ATOM 0 H GLU A 23 4.867 2.451 1.817 1.00 0.00 H new ATOM 0 HA GLU A 23 6.987 1.909 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.868 3.881 0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.817 4.017 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.262 2.329 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.340 2.303 1.681 1.00 0.00 H new ATOM 322 N MET A 24 8.217 0.340 1.450 1.00 0.00 N ATOM 323 CA MET A 24 8.670 -0.831 2.180 1.00 0.00 C ATOM 324 C MET A 24 9.155 -0.451 3.580 1.00 0.00 C ATOM 325 O MET A 24 9.758 0.605 3.767 1.00 0.00 O ATOM 326 CB MET A 24 9.809 -1.504 1.411 1.00 0.00 C ATOM 327 CG MET A 24 9.714 -1.199 -0.087 1.00 0.00 C ATOM 328 SD MET A 24 10.898 0.062 -0.529 1.00 0.00 S ATOM 329 CE MET A 24 9.938 0.983 -1.719 1.00 0.00 C ATOM 0 H MET A 24 8.874 0.688 0.752 1.00 0.00 H new ATOM 0 HA MET A 24 7.831 -1.519 2.281 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.768 -1.157 1.796 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.773 -2.582 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.902 -2.105 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.706 -0.867 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.465 1.900 -1.980 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.794 0.380 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.968 1.232 -1.289 1.00 0.00 H new ATOM 339 N ASN A 25 8.874 -1.333 4.529 1.00 0.00 N ATOM 340 CA ASN A 25 9.275 -1.103 5.907 1.00 0.00 C ATOM 341 C ASN A 25 10.801 -1.096 5.995 1.00 0.00 C ATOM 342 O ASN A 25 11.484 -0.849 5.002 1.00 0.00 O ATOM 343 CB ASN A 25 8.752 -2.210 6.824 1.00 0.00 C ATOM 344 CG ASN A 25 9.546 -3.504 6.629 1.00 0.00 C ATOM 345 OD1 ASN A 25 9.804 -3.943 5.521 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.917 -4.086 7.766 1.00 0.00 N ATOM 0 H ASN A 25 8.374 -2.208 4.371 1.00 0.00 H new ATOM 0 HA ASN A 25 8.860 -0.146 6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.822 -1.889 7.863 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.697 -2.391 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.452 -4.954 7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.667 -3.664 8.660 1.00 0.00 H new ATOM 353 N GLU A 26 11.295 -1.370 7.194 1.00 0.00 N ATOM 354 CA GLU A 26 12.728 -1.399 7.426 1.00 0.00 C ATOM 355 C GLU A 26 13.365 -2.567 6.669 1.00 0.00 C ATOM 356 O GLU A 26 14.297 -2.372 5.891 1.00 0.00 O ATOM 357 CB GLU A 26 13.041 -1.479 8.922 1.00 0.00 C ATOM 358 CG GLU A 26 14.177 -0.526 9.297 1.00 0.00 C ATOM 359 CD GLU A 26 14.321 -0.414 10.816 1.00 0.00 C ATOM 360 OE1 GLU A 26 13.290 -0.134 11.464 1.00 0.00 O ATOM 361 OE2 GLU A 26 15.459 -0.613 11.293 1.00 0.00 O ATOM 0 H GLU A 26 10.726 -1.574 8.016 1.00 0.00 H new ATOM 0 HA GLU A 26 13.156 -0.470 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.149 -1.231 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.317 -2.500 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 26 15.112 -0.882 8.865 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.984 0.459 8.873 1.00 0.00 H new ATOM 368 N GLU A 27 12.835 -3.754 6.924 1.00 0.00 N ATOM 369 CA GLU A 27 13.340 -4.953 6.277 1.00 0.00 C ATOM 370 C GLU A 27 12.822 -5.039 4.840 1.00 0.00 C ATOM 371 O GLU A 27 13.126 -5.989 4.122 1.00 0.00 O ATOM 372 CB GLU A 27 12.964 -6.205 7.071 1.00 0.00 C ATOM 373 CG GLU A 27 13.474 -6.114 8.511 1.00 0.00 C ATOM 374 CD GLU A 27 14.218 -7.390 8.910 1.00 0.00 C ATOM 375 OE1 GLU A 27 14.780 -8.029 7.995 1.00 0.00 O ATOM 376 OE2 GLU A 27 14.209 -7.697 10.121 1.00 0.00 O ATOM 0 H GLU A 27 12.061 -3.911 7.570 1.00 0.00 H new ATOM 0 HA GLU A 27 14.428 -4.895 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.881 -6.328 7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.384 -7.087 6.587 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.137 -5.255 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.636 -5.951 9.188 1.00 0.00 H new ATOM 383 N GLY A 28 12.048 -4.032 4.463 1.00 0.00 N ATOM 384 CA GLY A 28 11.483 -3.981 3.125 1.00 0.00 C ATOM 385 C GLY A 28 10.650 -5.231 2.833 1.00 0.00 C ATOM 386 O GLY A 28 10.548 -5.660 1.686 1.00 0.00 O ATOM 0 H GLY A 28 11.799 -3.244 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.860 -3.093 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.284 -3.894 2.391 1.00 0.00 H new ATOM 390 N ASP A 29 10.074 -5.779 3.894 1.00 0.00 N ATOM 391 CA ASP A 29 9.253 -6.971 3.766 1.00 0.00 C ATOM 392 C ASP A 29 7.820 -6.645 4.192 1.00 0.00 C ATOM 393 O ASP A 29 6.914 -7.456 4.005 1.00 0.00 O ATOM 394 CB ASP A 29 9.770 -8.095 4.666 1.00 0.00 C ATOM 395 CG ASP A 29 9.906 -9.458 3.985 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.198 -9.458 2.769 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.717 -10.469 4.696 1.00 0.00 O ATOM 0 H ASP A 29 10.160 -5.420 4.845 1.00 0.00 H new ATOM 0 HA ASP A 29 9.290 -7.296 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.743 -7.805 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.097 -8.197 5.518 1.00 0.00 H new ATOM 402 N LYS A 30 7.659 -5.457 4.756 1.00 0.00 N ATOM 403 CA LYS A 30 6.352 -5.014 5.209 1.00 0.00 C ATOM 404 C LYS A 30 5.979 -3.718 4.489 1.00 0.00 C ATOM 405 O LYS A 30 6.596 -2.678 4.716 1.00 0.00 O ATOM 406 CB LYS A 30 6.325 -4.900 6.735 1.00 0.00 C ATOM 407 CG LYS A 30 4.976 -4.364 7.220 1.00 0.00 C ATOM 408 CD LYS A 30 4.920 -4.323 8.748 1.00 0.00 C ATOM 409 CE LYS A 30 5.602 -3.064 9.289 1.00 0.00 C ATOM 410 NZ LYS A 30 6.497 -3.404 10.418 1.00 0.00 N ATOM 0 H LYS A 30 8.413 -4.787 4.910 1.00 0.00 H new ATOM 0 HA LYS A 30 5.590 -5.751 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.514 -5.877 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.125 -4.238 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.813 -3.363 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.172 -4.994 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.881 -4.349 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.406 -5.209 9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.174 -2.584 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.849 -2.348 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.952 -2.539 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.942 -3.842 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.227 -4.071 10.094 1.00 0.00 H new ATOM 423 N ALA A 31 4.972 -3.821 3.633 1.00 0.00 N ATOM 424 CA ALA A 31 4.511 -2.669 2.879 1.00 0.00 C ATOM 425 C ALA A 31 3.858 -1.667 3.833 1.00 0.00 C ATOM 426 O ALA A 31 2.700 -1.831 4.214 1.00 0.00 O ATOM 427 CB ALA A 31 3.555 -3.130 1.775 1.00 0.00 C ATOM 0 H ALA A 31 4.463 -4.685 3.446 1.00 0.00 H new ATOM 0 HA ALA A 31 5.350 -2.167 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.209 -2.265 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.075 -3.817 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.700 -3.637 2.222 1.00 0.00 H new ATOM 433 N VAL A 32 4.629 -0.651 4.191 1.00 0.00 N ATOM 434 CA VAL A 32 4.141 0.377 5.094 1.00 0.00 C ATOM 435 C VAL A 32 3.498 1.502 4.280 1.00 0.00 C ATOM 436 O VAL A 32 3.634 1.543 3.058 1.00 0.00 O ATOM 437 CB VAL A 32 5.277 0.866 5.994 1.00 0.00 C ATOM 438 CG1 VAL A 32 4.783 1.939 6.968 1.00 0.00 C ATOM 439 CG2 VAL A 32 5.922 -0.301 6.746 1.00 0.00 C ATOM 0 H VAL A 32 5.589 -0.518 3.872 1.00 0.00 H new ATOM 0 HA VAL A 32 3.373 -0.028 5.753 1.00 0.00 H new ATOM 0 HB VAL A 32 6.038 1.317 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.611 2.269 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.392 2.788 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.994 1.525 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.727 0.074 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.172 -0.793 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.327 -1.016 6.030 1.00 0.00 H new ATOM 449 N VAL A 33 2.810 2.385 4.989 1.00 0.00 N ATOM 450 CA VAL A 33 2.146 3.506 4.347 1.00 0.00 C ATOM 451 C VAL A 33 3.043 4.743 4.435 1.00 0.00 C ATOM 452 O VAL A 33 3.798 4.900 5.394 1.00 0.00 O ATOM 453 CB VAL A 33 0.766 3.722 4.971 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.036 4.885 4.295 1.00 0.00 C ATOM 455 CG2 VAL A 33 -0.070 2.442 4.912 1.00 0.00 C ATOM 0 H VAL A 33 2.698 2.346 6.002 1.00 0.00 H new ATOM 0 HA VAL A 33 1.981 3.299 3.290 1.00 0.00 H new ATOM 0 HB VAL A 33 0.909 3.980 6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.942 5.018 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.620 5.798 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.090 4.668 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.046 2.624 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.200 2.140 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.440 1.649 5.459 1.00 0.00 H new ATOM 465 N ILE A 34 2.931 5.589 3.422 1.00 0.00 N ATOM 466 CA ILE A 34 3.721 6.807 3.372 1.00 0.00 C ATOM 467 C ILE A 34 2.793 8.005 3.165 1.00 0.00 C ATOM 468 O ILE A 34 3.058 9.095 3.669 1.00 0.00 O ATOM 469 CB ILE A 34 4.820 6.689 2.314 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.606 5.454 1.437 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.207 6.701 2.960 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.430 5.546 0.150 1.00 0.00 C ATOM 0 H ILE A 34 2.304 5.455 2.629 1.00 0.00 H new ATOM 0 HA ILE A 34 4.238 6.965 4.319 1.00 0.00 H new ATOM 0 HB ILE A 34 4.762 7.561 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.887 4.558 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.549 5.358 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.970 6.616 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.346 7.634 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.295 5.861 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.260 4.656 -0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.129 6.430 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.489 5.618 0.400 1.00 0.00 H new ATOM 484 N ASN A 35 1.723 7.762 2.421 1.00 0.00 N ATOM 485 CA ASN A 35 0.754 8.808 2.140 1.00 0.00 C ATOM 486 C ASN A 35 -0.576 8.457 2.809 1.00 0.00 C ATOM 487 O ASN A 35 -1.435 7.822 2.197 1.00 0.00 O ATOM 488 CB ASN A 35 0.507 8.940 0.636 1.00 0.00 C ATOM 489 CG ASN A 35 -0.127 10.291 0.301 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.624 11.003 1.160 1.00 0.00 O ATOM 491 ND2 ASN A 35 -0.084 10.604 -0.990 1.00 0.00 N ATOM 0 H ASN A 35 1.506 6.856 2.005 1.00 0.00 H new ATOM 0 HA ASN A 35 1.151 9.748 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.449 8.833 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.145 8.135 0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.482 11.485 -1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.347 9.963 -1.656 1.00 0.00 H new ATOM 498 N PRO A 36 -0.709 8.896 4.089 1.00 0.00 N ATOM 499 CA PRO A 36 -1.921 8.634 4.847 1.00 0.00 C ATOM 500 C PRO A 36 -3.065 9.538 4.382 1.00 0.00 C ATOM 501 O PRO A 36 -3.839 10.036 5.198 1.00 0.00 O ATOM 502 CB PRO A 36 -1.533 8.867 6.299 1.00 0.00 C ATOM 503 CG PRO A 36 -0.259 9.695 6.263 1.00 0.00 C ATOM 504 CD PRO A 36 0.286 9.650 4.845 1.00 0.00 C ATOM 0 HA PRO A 36 -2.296 7.620 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.324 9.391 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.370 7.921 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.464 10.723 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.474 9.299 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.415 10.653 4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.261 9.164 4.811 1.00 0.00 H new ATOM 512 N ASP A 37 -3.136 9.721 3.072 1.00 0.00 N ATOM 513 CA ASP A 37 -4.172 10.556 2.488 1.00 0.00 C ATOM 514 C ASP A 37 -3.967 10.633 0.974 1.00 0.00 C ATOM 515 O ASP A 37 -4.175 11.682 0.368 1.00 0.00 O ATOM 516 CB ASP A 37 -4.113 11.979 3.046 1.00 0.00 C ATOM 517 CG ASP A 37 -5.196 12.924 2.523 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.384 12.574 2.691 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.811 13.975 1.967 1.00 0.00 O ATOM 0 H ASP A 37 -2.493 9.305 2.398 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.138 10.113 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.188 11.931 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.137 12.405 2.813 1.00 0.00 H new ATOM 524 N SER A 38 -3.559 9.506 0.406 1.00 0.00 N ATOM 525 CA SER A 38 -3.323 9.433 -1.025 1.00 0.00 C ATOM 526 C SER A 38 -4.601 9.789 -1.786 1.00 0.00 C ATOM 527 O SER A 38 -4.783 10.932 -2.202 1.00 0.00 O ATOM 528 CB SER A 38 -2.833 8.042 -1.433 1.00 0.00 C ATOM 529 OG SER A 38 -2.558 7.959 -2.828 1.00 0.00 O ATOM 0 H SER A 38 -3.386 8.637 0.912 1.00 0.00 H new ATOM 0 HA SER A 38 -2.544 10.152 -1.279 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.932 7.796 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.586 7.300 -1.168 1.00 0.00 H new ATOM 0 HG SER A 38 -3.396 7.834 -3.320 1.00 0.00 H new ATOM 535 N ASP A 39 -5.456 8.789 -1.944 1.00 0.00 N ATOM 536 CA ASP A 39 -6.713 8.982 -2.648 1.00 0.00 C ATOM 537 C ASP A 39 -6.451 9.733 -3.955 1.00 0.00 C ATOM 538 O ASP A 39 -7.217 10.619 -4.331 1.00 0.00 O ATOM 539 CB ASP A 39 -7.688 9.814 -1.813 1.00 0.00 C ATOM 540 CG ASP A 39 -9.154 9.389 -1.918 1.00 0.00 C ATOM 541 OD1 ASP A 39 -9.412 8.419 -2.663 1.00 0.00 O ATOM 542 OD2 ASP A 39 -9.984 10.044 -1.251 1.00 0.00 O ATOM 0 H ASP A 39 -5.303 7.842 -1.596 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.147 8.001 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.384 9.762 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.605 10.857 -2.117 1.00 0.00 H new ATOM 547 N LEU A 40 -5.365 9.350 -4.612 1.00 0.00 N ATOM 548 CA LEU A 40 -4.993 9.975 -5.870 1.00 0.00 C ATOM 549 C LEU A 40 -5.120 8.951 -7.001 1.00 0.00 C ATOM 550 O LEU A 40 -4.422 9.046 -8.009 1.00 0.00 O ATOM 551 CB LEU A 40 -3.602 10.604 -5.764 1.00 0.00 C ATOM 552 CG LEU A 40 -2.427 9.627 -5.688 1.00 0.00 C ATOM 553 CD1 LEU A 40 -1.701 9.539 -7.032 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.480 9.998 -4.546 1.00 0.00 C ATOM 0 H LEU A 40 -4.732 8.615 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.672 10.795 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.453 11.254 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.579 11.239 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.820 8.634 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.870 8.838 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.395 9.193 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.320 10.523 -7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.653 9.288 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.089 11.003 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.021 9.968 -3.600 1.00 0.00 H new ATOM 566 N ASP A 41 -6.015 7.997 -6.794 1.00 0.00 N ATOM 567 CA ASP A 41 -6.243 6.958 -7.784 1.00 0.00 C ATOM 568 C ASP A 41 -5.264 5.807 -7.542 1.00 0.00 C ATOM 569 O ASP A 41 -5.616 4.642 -7.715 1.00 0.00 O ATOM 570 CB ASP A 41 -6.012 7.486 -9.201 1.00 0.00 C ATOM 571 CG ASP A 41 -6.757 6.730 -10.302 1.00 0.00 C ATOM 572 OD1 ASP A 41 -7.910 6.328 -10.035 1.00 0.00 O ATOM 573 OD2 ASP A 41 -6.157 6.571 -11.387 1.00 0.00 O ATOM 0 H ASP A 41 -6.591 7.921 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.276 6.622 -7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.310 8.534 -9.235 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.944 7.451 -9.416 1.00 0.00 H new ATOM 578 N CYS A 42 -4.054 6.175 -7.147 1.00 0.00 N ATOM 579 CA CYS A 42 -3.023 5.188 -6.879 1.00 0.00 C ATOM 580 C CYS A 42 -3.609 4.116 -5.959 1.00 0.00 C ATOM 581 O CYS A 42 -3.260 2.941 -6.067 1.00 0.00 O ATOM 582 CB CYS A 42 -1.767 5.828 -6.283 1.00 0.00 C ATOM 583 SG CYS A 42 -0.444 6.196 -7.492 1.00 0.00 S ATOM 0 H CYS A 42 -3.765 7.143 -7.006 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.707 4.727 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.051 6.754 -5.783 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.366 5.163 -5.518 1.00 0.00 H new ATOM 588 N VAL A 43 -4.489 4.559 -5.073 1.00 0.00 N ATOM 589 CA VAL A 43 -5.127 3.653 -4.134 1.00 0.00 C ATOM 590 C VAL A 43 -6.085 2.732 -4.892 1.00 0.00 C ATOM 591 O VAL A 43 -6.252 1.569 -4.528 1.00 0.00 O ATOM 592 CB VAL A 43 -5.815 4.449 -3.024 1.00 0.00 C ATOM 593 CG1 VAL A 43 -6.570 3.521 -2.071 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.809 5.314 -2.263 1.00 0.00 C ATOM 0 H VAL A 43 -4.775 5.534 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.384 3.020 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.542 5.114 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.050 4.112 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.328 2.968 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.871 2.820 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.325 5.869 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.047 4.677 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.336 6.014 -2.952 1.00 0.00 H new ATOM 604 N GLU A 44 -6.691 3.287 -5.932 1.00 0.00 N ATOM 605 CA GLU A 44 -7.628 2.530 -6.744 1.00 0.00 C ATOM 606 C GLU A 44 -6.886 1.475 -7.566 1.00 0.00 C ATOM 607 O GLU A 44 -7.381 0.363 -7.746 1.00 0.00 O ATOM 608 CB GLU A 44 -8.442 3.457 -7.649 1.00 0.00 C ATOM 609 CG GLU A 44 -9.718 2.767 -8.136 1.00 0.00 C ATOM 610 CD GLU A 44 -10.449 3.629 -9.168 1.00 0.00 C ATOM 611 OE1 GLU A 44 -9.745 4.207 -10.023 1.00 0.00 O ATOM 612 OE2 GLU A 44 -11.694 3.688 -9.077 1.00 0.00 O ATOM 0 H GLU A 44 -6.551 4.252 -6.231 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.325 2.020 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.701 4.366 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.838 3.758 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.468 1.801 -8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.376 2.571 -7.289 1.00 0.00 H new ATOM 619 N GLU A 45 -5.711 1.860 -8.043 1.00 0.00 N ATOM 620 CA GLU A 45 -4.896 0.960 -8.842 1.00 0.00 C ATOM 621 C GLU A 45 -4.005 0.107 -7.936 1.00 0.00 C ATOM 622 O GLU A 45 -3.576 -0.979 -8.326 1.00 0.00 O ATOM 623 CB GLU A 45 -4.061 1.737 -9.860 1.00 0.00 C ATOM 624 CG GLU A 45 -3.038 2.635 -9.161 1.00 0.00 C ATOM 625 CD GLU A 45 -2.656 3.823 -10.045 1.00 0.00 C ATOM 626 OE1 GLU A 45 -3.489 4.181 -10.905 1.00 0.00 O ATOM 627 OE2 GLU A 45 -1.539 4.347 -9.840 1.00 0.00 O ATOM 0 H GLU A 45 -5.304 2.783 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.558 0.295 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.546 1.040 -10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.716 2.344 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.450 2.996 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.147 2.056 -8.918 1.00 0.00 H new ATOM 634 N ALA A 46 -3.751 0.630 -6.746 1.00 0.00 N ATOM 635 CA ALA A 46 -2.919 -0.069 -5.783 1.00 0.00 C ATOM 636 C ALA A 46 -3.743 -1.164 -5.102 1.00 0.00 C ATOM 637 O ALA A 46 -3.189 -2.123 -4.569 1.00 0.00 O ATOM 638 CB ALA A 46 -2.342 0.934 -4.782 1.00 0.00 C ATOM 0 H ALA A 46 -4.107 1.531 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.079 -0.551 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.718 0.409 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.741 1.672 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.156 1.437 -4.260 1.00 0.00 H new ATOM 644 N ILE A 47 -5.056 -0.982 -5.141 1.00 0.00 N ATOM 645 CA ILE A 47 -5.962 -1.942 -4.535 1.00 0.00 C ATOM 646 C ILE A 47 -6.352 -2.996 -5.574 1.00 0.00 C ATOM 647 O ILE A 47 -6.296 -4.194 -5.300 1.00 0.00 O ATOM 648 CB ILE A 47 -7.159 -1.226 -3.906 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.813 -0.700 -2.513 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.393 -2.131 -3.889 1.00 0.00 C ATOM 651 CD1 ILE A 47 -7.601 0.573 -2.195 1.00 0.00 C ATOM 0 H ILE A 47 -5.513 -0.184 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.469 -2.467 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.403 -0.362 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.033 -1.464 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.744 -0.495 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.229 -1.598 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.652 -2.413 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.178 -3.028 -3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.336 0.926 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.360 1.343 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.669 0.358 -2.232 1.00 0.00 H new ATOM 663 N ASP A 48 -6.740 -2.511 -6.745 1.00 0.00 N ATOM 664 CA ASP A 48 -7.140 -3.397 -7.825 1.00 0.00 C ATOM 665 C ASP A 48 -5.978 -4.333 -8.168 1.00 0.00 C ATOM 666 O ASP A 48 -6.190 -5.512 -8.446 1.00 0.00 O ATOM 667 CB ASP A 48 -7.493 -2.603 -9.085 1.00 0.00 C ATOM 668 CG ASP A 48 -8.743 -3.085 -9.823 1.00 0.00 C ATOM 669 OD1 ASP A 48 -8.890 -4.321 -9.945 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.525 -2.208 -10.249 1.00 0.00 O ATOM 0 H ASP A 48 -6.786 -1.517 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.013 -3.959 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.632 -1.557 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.647 -2.643 -9.771 1.00 0.00 H new ATOM 675 N SER A 49 -4.778 -3.773 -8.134 1.00 0.00 N ATOM 676 CA SER A 49 -3.584 -4.543 -8.437 1.00 0.00 C ATOM 677 C SER A 49 -3.254 -5.476 -7.271 1.00 0.00 C ATOM 678 O SER A 49 -2.527 -6.454 -7.440 1.00 0.00 O ATOM 679 CB SER A 49 -2.398 -3.625 -8.734 1.00 0.00 C ATOM 680 OG SER A 49 -2.041 -2.831 -7.606 1.00 0.00 O ATOM 0 H SER A 49 -4.607 -2.795 -7.901 1.00 0.00 H new ATOM 0 HA SER A 49 -3.779 -5.140 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.542 -4.226 -9.039 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.645 -2.973 -9.572 1.00 0.00 H new ATOM 0 HG SER A 49 -2.361 -1.914 -7.737 1.00 0.00 H new ATOM 686 N CYS A 50 -3.805 -5.142 -6.112 1.00 0.00 N ATOM 687 CA CYS A 50 -3.577 -5.939 -4.919 1.00 0.00 C ATOM 688 C CYS A 50 -4.622 -7.056 -4.881 1.00 0.00 C ATOM 689 O CYS A 50 -5.813 -6.791 -4.723 1.00 0.00 O ATOM 690 CB CYS A 50 -3.612 -5.081 -3.652 1.00 0.00 C ATOM 691 SG CYS A 50 -3.419 -6.015 -2.088 1.00 0.00 S ATOM 0 H CYS A 50 -4.408 -4.331 -5.975 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.580 -6.377 -4.955 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.820 -4.335 -3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.558 -4.540 -3.622 1.00 0.00 H new ATOM 696 N PRO A 51 -4.125 -8.313 -5.032 1.00 0.00 N ATOM 697 CA PRO A 51 -5.003 -9.471 -5.015 1.00 0.00 C ATOM 698 C PRO A 51 -5.466 -9.788 -3.593 1.00 0.00 C ATOM 699 O PRO A 51 -6.574 -10.285 -3.393 1.00 0.00 O ATOM 700 CB PRO A 51 -4.186 -10.592 -5.637 1.00 0.00 C ATOM 701 CG PRO A 51 -2.734 -10.147 -5.552 1.00 0.00 C ATOM 702 CD PRO A 51 -2.720 -8.663 -5.220 1.00 0.00 C ATOM 0 HA PRO A 51 -5.924 -9.308 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.339 -11.530 -5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.482 -10.763 -6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.205 -10.714 -4.786 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.222 -10.332 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.138 -8.464 -4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.271 -8.081 -6.025 1.00 0.00 H new ATOM 710 N ALA A 52 -4.596 -9.488 -2.640 1.00 0.00 N ATOM 711 CA ALA A 52 -4.903 -9.734 -1.241 1.00 0.00 C ATOM 712 C ALA A 52 -5.710 -8.559 -0.685 1.00 0.00 C ATOM 713 O ALA A 52 -6.187 -8.610 0.447 1.00 0.00 O ATOM 714 CB ALA A 52 -3.604 -9.967 -0.466 1.00 0.00 C ATOM 0 H ALA A 52 -3.678 -9.077 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.512 -10.632 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.834 -10.151 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.083 -10.830 -0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.968 -9.086 -0.548 1.00 0.00 H new ATOM 720 N GLU A 53 -5.838 -7.529 -1.509 1.00 0.00 N ATOM 721 CA GLU A 53 -6.579 -6.342 -1.114 1.00 0.00 C ATOM 722 C GLU A 53 -6.390 -6.072 0.380 1.00 0.00 C ATOM 723 O GLU A 53 -7.355 -5.805 1.093 1.00 0.00 O ATOM 724 CB GLU A 53 -8.063 -6.482 -1.463 1.00 0.00 C ATOM 725 CG GLU A 53 -8.737 -7.532 -0.578 1.00 0.00 C ATOM 726 CD GLU A 53 -10.155 -7.101 -0.198 1.00 0.00 C ATOM 727 OE1 GLU A 53 -10.738 -6.317 -0.978 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.624 -7.564 0.864 1.00 0.00 O ATOM 0 H GLU A 53 -5.441 -7.492 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.187 -5.490 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.562 -5.521 -1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.169 -6.762 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.772 -8.487 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.146 -7.686 0.325 1.00 0.00 H new ATOM 735 N ALA A 54 -5.138 -6.150 0.809 1.00 0.00 N ATOM 736 CA ALA A 54 -4.810 -5.917 2.205 1.00 0.00 C ATOM 737 C ALA A 54 -4.759 -4.410 2.468 1.00 0.00 C ATOM 738 O ALA A 54 -4.710 -3.978 3.618 1.00 0.00 O ATOM 739 CB ALA A 54 -3.491 -6.613 2.543 1.00 0.00 C ATOM 0 H ALA A 54 -4.339 -6.371 0.214 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.577 -6.339 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.245 -6.438 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.589 -7.684 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.697 -6.214 1.912 1.00 0.00 H new ATOM 745 N ILE A 55 -4.771 -3.652 1.381 1.00 0.00 N ATOM 746 CA ILE A 55 -4.726 -2.202 1.479 1.00 0.00 C ATOM 747 C ILE A 55 -6.151 -1.661 1.611 1.00 0.00 C ATOM 748 O ILE A 55 -6.940 -1.743 0.671 1.00 0.00 O ATOM 749 CB ILE A 55 -3.950 -1.610 0.301 1.00 0.00 C ATOM 750 CG1 ILE A 55 -2.526 -2.170 0.247 1.00 0.00 C ATOM 751 CG2 ILE A 55 -3.963 -0.081 0.350 1.00 0.00 C ATOM 752 CD1 ILE A 55 -2.122 -2.497 -1.192 1.00 0.00 C ATOM 0 H ILE A 55 -4.811 -4.014 0.428 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.184 -1.896 2.374 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.449 -1.907 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.830 -1.445 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.461 -3.069 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.405 0.315 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.992 0.276 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.502 0.257 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.107 -2.893 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.806 -3.240 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.165 -1.591 -1.797 1.00 0.00 H new ATOM 764 N VAL A 56 -6.436 -1.118 2.786 1.00 0.00 N ATOM 765 CA VAL A 56 -7.752 -0.562 3.053 1.00 0.00 C ATOM 766 C VAL A 56 -7.620 0.936 3.333 1.00 0.00 C ATOM 767 O VAL A 56 -6.514 1.443 3.513 1.00 0.00 O ATOM 768 CB VAL A 56 -8.421 -1.328 4.196 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.023 -2.643 3.698 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.436 -1.574 5.341 1.00 0.00 C ATOM 0 H VAL A 56 -5.779 -1.051 3.563 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.399 -0.674 2.183 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.235 -0.713 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.492 -3.167 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.771 -2.434 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.235 -3.266 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.937 -2.120 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.592 -2.159 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.077 -0.619 5.724 1.00 0.00 H new ATOM 780 N ARG A 57 -8.766 1.603 3.362 1.00 0.00 N ATOM 781 CA ARG A 57 -8.792 3.033 3.617 1.00 0.00 C ATOM 782 C ARG A 57 -9.272 3.310 5.043 1.00 0.00 C ATOM 783 O ARG A 57 -10.188 4.102 5.250 1.00 0.00 O ATOM 784 CB ARG A 57 -9.712 3.752 2.628 1.00 0.00 C ATOM 785 CG ARG A 57 -8.956 4.139 1.356 1.00 0.00 C ATOM 786 CD ARG A 57 -9.919 4.636 0.275 1.00 0.00 C ATOM 787 NE ARG A 57 -10.421 5.983 0.626 1.00 0.00 N ATOM 788 CZ ARG A 57 -11.577 6.503 0.163 1.00 0.00 C ATOM 789 NH1 ARG A 57 -12.361 5.794 -0.677 1.00 0.00 N ATOM 790 NH2 ARG A 57 -11.929 7.718 0.541 1.00 0.00 N ATOM 0 H ARG A 57 -9.682 1.179 3.213 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.777 3.410 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.553 3.107 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.126 4.646 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.227 4.917 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.399 3.279 0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.412 4.668 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.754 3.943 0.173 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.858 6.554 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.081 4.857 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.233 6.195 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.330 8.249 1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.800 8.126 0.200 1.00 0.00 H new ATOM 804 N SER A 58 -8.631 2.638 5.989 1.00 0.00 N ATOM 805 CA SER A 58 -8.982 2.801 7.390 1.00 0.00 C ATOM 806 C SER A 58 -9.282 4.271 7.686 1.00 0.00 C ATOM 807 O SER A 58 -10.266 4.585 8.354 1.00 0.00 O ATOM 808 CB SER A 58 -7.861 2.294 8.300 1.00 0.00 C ATOM 809 OG SER A 58 -8.290 2.161 9.652 1.00 0.00 O ATOM 810 OXT SER A 58 -8.543 5.142 7.259 1.00 1.00 O ATOM 0 H SER A 58 -7.872 1.980 5.813 1.00 0.00 H new ATOM 0 HA SER A 58 -9.874 2.207 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.506 1.330 7.936 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.017 2.982 8.253 1.00 0.00 H new ATOM 0 HG SER A 58 -7.563 1.783 10.190 1.00 0.00 H new TER 816 SER A 58 HETATM 817 FE1 F3S A 59 1.024 -6.421 0.266 1.00 0.00 FE HETATM 818 FE3 F3S A 59 -1.163 -6.023 -1.646 1.00 0.00 FE HETATM 819 FE4 F3S A 59 0.923 -4.020 -1.333 1.00 0.00 FE HETATM 820 S1 F3S A 59 0.063 -7.896 -1.214 1.00 0.00 S HETATM 821 S2 F3S A 59 2.705 -5.363 -0.779 1.00 0.00 S HETATM 822 S3 F3S A 59 -0.512 -4.713 0.392 1.00 0.00 S HETATM 823 S4 F3S A 59 0.112 -4.911 -3.204 1.00 0.00 S