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 Set 1.1: A 35 ASN : amide:sc= -0.245 X(o=-0.97,f=-0.68) USER MOD Set 1.2: A 38 SER OG : rot -40:sc= -0.724 USER MOD Single : A 5 ASN :FLIP amide:sc=-0.00578 F(o=-0.73,f=-0.0058) 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 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.65! C(o=-2.6!,f=-2.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 102:sc= 0.524 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.678 6.067 6.952 1.00 0.00 N ATOM 2 CA PRO A 1 -6.635 5.965 5.865 1.00 0.00 C ATOM 3 C PRO A 1 -6.351 4.737 4.997 1.00 0.00 C ATOM 4 O PRO A 1 -7.259 3.966 4.690 1.00 0.00 O ATOM 5 CB PRO A 1 -6.504 7.274 5.101 1.00 0.00 C ATOM 6 CG PRO A 1 -5.163 7.861 5.508 1.00 0.00 C ATOM 7 CD PRO A 1 -4.678 7.109 6.737 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.207 5.170 7.068 1.00 0.00 H new ATOM 0 H3 PRO A 1 -6.177 6.257 7.821 1.00 0.00 H new ATOM 0 HA PRO A 1 -7.657 5.824 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -6.546 7.104 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -7.319 7.954 5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -4.443 7.768 4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.262 8.924 5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.689 6.681 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -4.602 7.769 7.601 1.00 0.00 H new ATOM 15 N ILE A 2 -5.087 4.592 4.629 1.00 0.00 N ATOM 16 CA ILE A 2 -4.671 3.471 3.803 1.00 0.00 C ATOM 17 C ILE A 2 -3.679 2.607 4.585 1.00 0.00 C ATOM 18 O ILE A 2 -2.632 3.092 5.012 1.00 0.00 O ATOM 19 CB ILE A 2 -4.131 3.965 2.460 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.650 4.333 2.566 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.974 5.125 1.923 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.450 5.544 3.479 1.00 0.00 C ATOM 0 H ILE A 2 -4.336 5.232 4.888 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.525 2.838 3.563 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.209 3.150 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.087 3.484 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.254 4.551 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.569 5.457 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.003 4.794 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.951 5.951 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.388 5.785 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.994 6.398 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.825 5.314 4.476 1.00 0.00 H new ATOM 34 N GLU A 3 -4.043 1.344 4.749 1.00 0.00 N ATOM 35 CA GLU A 3 -3.198 0.410 5.472 1.00 0.00 C ATOM 36 C GLU A 3 -3.566 -1.030 5.108 1.00 0.00 C ATOM 37 O GLU A 3 -4.462 -1.259 4.296 1.00 0.00 O ATOM 38 CB GLU A 3 -3.297 0.636 6.982 1.00 0.00 C ATOM 39 CG GLU A 3 -4.061 1.924 7.294 1.00 0.00 C ATOM 40 CD GLU A 3 -4.377 2.025 8.788 1.00 0.00 C ATOM 41 OE1 GLU A 3 -4.922 1.035 9.322 1.00 0.00 O ATOM 42 OE2 GLU A 3 -4.064 3.090 9.363 1.00 0.00 O ATOM 0 H GLU A 3 -4.912 0.946 4.393 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.163 0.585 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.800 -0.211 7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.297 0.689 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.470 2.786 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.987 1.950 6.720 1.00 0.00 H new ATOM 49 N VAL A 4 -2.857 -1.963 5.726 1.00 0.00 N ATOM 50 CA VAL A 4 -3.097 -3.374 5.477 1.00 0.00 C ATOM 51 C VAL A 4 -3.228 -4.108 6.813 1.00 0.00 C ATOM 52 O VAL A 4 -3.447 -3.484 7.849 1.00 0.00 O ATOM 53 CB VAL A 4 -1.992 -3.945 4.586 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.951 -3.228 3.235 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.633 -3.873 5.286 1.00 0.00 C ATOM 0 H VAL A 4 -2.116 -1.769 6.399 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.034 -3.512 4.937 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.219 -4.995 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.157 -3.653 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.908 -3.353 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.759 -2.167 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.135 -4.285 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.396 -2.834 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.669 -4.449 6.211 1.00 0.00 H new ATOM 65 N ASN A 5 -3.088 -5.424 6.745 1.00 0.00 N ATOM 66 CA ASN A 5 -3.187 -6.250 7.936 1.00 0.00 C ATOM 67 C ASN A 5 -1.872 -7.005 8.139 1.00 0.00 C ATOM 68 O ASN A 5 -0.833 -6.602 7.616 1.00 0.00 O ATOM 69 CB ASN A 5 -4.308 -7.281 7.799 1.00 0.00 C ATOM 70 CG ASN A 5 -5.318 -6.855 6.731 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.135 -7.440 5.550 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 -6.204 -6.050 6.964 1.00 0.00 N flip ATOM 0 H ASN A 5 -2.907 -5.939 5.883 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.399 -5.597 8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.885 -8.251 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.815 -7.402 8.756 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.288 -5.639 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.861 -5.788 6.229 1.00 0.00 H new ATOM 79 N ASP A 6 -1.959 -8.086 8.900 1.00 0.00 N ATOM 80 CA ASP A 6 -0.788 -8.901 9.177 1.00 0.00 C ATOM 81 C ASP A 6 -0.805 -10.135 8.274 1.00 0.00 C ATOM 82 O ASP A 6 -0.030 -11.068 8.477 1.00 0.00 O ATOM 83 CB ASP A 6 -0.784 -9.380 10.631 1.00 0.00 C ATOM 84 CG ASP A 6 0.357 -10.333 10.995 1.00 0.00 C ATOM 85 OD1 ASP A 6 1.509 -9.847 11.040 1.00 0.00 O ATOM 86 OD2 ASP A 6 0.052 -11.524 11.218 1.00 0.00 O ATOM 0 H ASP A 6 -2.821 -8.416 9.333 1.00 0.00 H new ATOM 0 HA ASP A 6 0.098 -8.293 8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.732 -8.509 11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.732 -9.877 10.837 1.00 0.00 H new ATOM 91 N ASP A 7 -1.697 -10.100 7.295 1.00 0.00 N ATOM 92 CA ASP A 7 -1.824 -11.204 6.359 1.00 0.00 C ATOM 93 C ASP A 7 -0.990 -10.907 5.110 1.00 0.00 C ATOM 94 O ASP A 7 -0.425 -11.818 4.506 1.00 0.00 O ATOM 95 CB ASP A 7 -3.279 -11.390 5.922 1.00 0.00 C ATOM 96 CG ASP A 7 -3.692 -12.839 5.654 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.903 -13.563 6.652 1.00 0.00 O ATOM 98 OD2 ASP A 7 -3.789 -13.191 4.458 1.00 0.00 O ATOM 0 H ASP A 7 -2.339 -9.325 7.130 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.477 -12.110 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.930 -10.979 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.449 -10.806 5.017 1.00 0.00 H new ATOM 103 N CYS A 8 -0.940 -9.630 4.760 1.00 0.00 N ATOM 104 CA CYS A 8 -0.184 -9.202 3.596 1.00 0.00 C ATOM 105 C CYS A 8 1.229 -9.778 3.702 1.00 0.00 C ATOM 106 O CYS A 8 1.688 -10.107 4.794 1.00 0.00 O ATOM 107 CB CYS A 8 -0.171 -7.679 3.457 1.00 0.00 C ATOM 108 SG CYS A 8 1.338 -6.991 2.680 1.00 0.00 S ATOM 0 H CYS A 8 -1.411 -8.878 5.263 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.662 -9.578 2.691 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.037 -7.375 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.287 -7.237 4.447 1.00 0.00 H new ATOM 113 N MET A 9 1.880 -9.880 2.552 1.00 0.00 N ATOM 114 CA MET A 9 3.233 -10.410 2.502 1.00 0.00 C ATOM 115 C MET A 9 4.256 -9.285 2.342 1.00 0.00 C ATOM 116 O MET A 9 4.699 -8.697 3.328 1.00 0.00 O ATOM 117 CB MET A 9 3.356 -11.385 1.329 1.00 0.00 C ATOM 118 CG MET A 9 2.955 -12.800 1.748 1.00 0.00 C ATOM 119 SD MET A 9 2.364 -13.711 0.331 1.00 0.00 S ATOM 120 CE MET A 9 2.458 -15.375 0.972 1.00 0.00 C ATOM 0 H MET A 9 1.496 -9.605 1.648 1.00 0.00 H new ATOM 0 HA MET A 9 3.436 -10.929 3.439 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.722 -11.052 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.382 -11.388 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.809 -13.313 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.179 -12.756 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.122 -16.078 0.210 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.488 -15.602 1.246 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.821 -15.462 1.852 1.00 0.00 H new ATOM 130 N ALA A 10 4.604 -9.018 1.091 1.00 0.00 N ATOM 131 CA ALA A 10 5.568 -7.974 0.788 1.00 0.00 C ATOM 132 C ALA A 10 5.939 -8.043 -0.694 1.00 0.00 C ATOM 133 O ALA A 10 7.106 -7.891 -1.053 1.00 0.00 O ATOM 134 CB ALA A 10 6.787 -8.123 1.702 1.00 0.00 C ATOM 0 H ALA A 10 4.235 -9.507 0.276 1.00 0.00 H new ATOM 0 HA ALA A 10 5.139 -6.990 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.510 -7.340 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.474 -8.037 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.246 -9.098 1.540 1.00 0.00 H new ATOM 140 N CYS A 11 4.925 -8.271 -1.515 1.00 0.00 N ATOM 141 CA CYS A 11 5.130 -8.361 -2.951 1.00 0.00 C ATOM 142 C CYS A 11 5.526 -6.977 -3.467 1.00 0.00 C ATOM 143 O CYS A 11 6.240 -6.863 -4.462 1.00 0.00 O ATOM 144 CB CYS A 11 3.891 -8.905 -3.666 1.00 0.00 C ATOM 145 SG CYS A 11 4.245 -10.050 -5.049 1.00 0.00 S ATOM 0 H CYS A 11 3.959 -8.396 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 11 5.931 -9.069 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.265 -9.420 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.311 -8.065 -4.048 1.00 0.00 H new ATOM 0 HG CYS A 11 3.127 -10.449 -5.579 1.00 0.00 H new ATOM 150 N GLU A 12 5.045 -5.960 -2.769 1.00 0.00 N ATOM 151 CA GLU A 12 5.341 -4.588 -3.144 1.00 0.00 C ATOM 152 C GLU A 12 4.623 -4.228 -4.447 1.00 0.00 C ATOM 153 O GLU A 12 5.118 -3.416 -5.228 1.00 0.00 O ATOM 154 CB GLU A 12 6.849 -4.365 -3.269 1.00 0.00 C ATOM 155 CG GLU A 12 7.566 -4.722 -1.966 1.00 0.00 C ATOM 156 CD GLU A 12 9.064 -4.924 -2.201 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.425 -5.185 -3.369 1.00 0.00 O ATOM 158 OE2 GLU A 12 9.815 -4.813 -1.207 1.00 0.00 O ATOM 0 H GLU A 12 4.452 -6.058 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 12 4.975 -3.930 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.244 -4.972 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.046 -3.324 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.413 -3.929 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.134 -5.631 -1.547 1.00 0.00 H new ATOM 165 N ALA A 13 3.470 -4.850 -4.641 1.00 0.00 N ATOM 166 CA ALA A 13 2.680 -4.605 -5.836 1.00 0.00 C ATOM 167 C ALA A 13 2.109 -3.187 -5.783 1.00 0.00 C ATOM 168 O ALA A 13 2.207 -2.439 -6.755 1.00 0.00 O ATOM 169 CB ALA A 13 1.586 -5.670 -5.951 1.00 0.00 C ATOM 0 H ALA A 13 3.064 -5.523 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 13 3.301 -4.677 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.993 -5.487 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.044 -6.657 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.941 -5.625 -5.074 1.00 0.00 H new ATOM 175 N CYS A 14 1.526 -2.859 -4.640 1.00 0.00 N ATOM 176 CA CYS A 14 0.941 -1.543 -4.449 1.00 0.00 C ATOM 177 C CYS A 14 2.053 -0.500 -4.567 1.00 0.00 C ATOM 178 O CYS A 14 1.823 0.606 -5.053 1.00 0.00 O ATOM 179 CB CYS A 14 0.202 -1.441 -3.112 1.00 0.00 C ATOM 180 SG CYS A 14 1.180 -1.961 -1.653 1.00 0.00 S ATOM 0 H CYS A 14 1.446 -3.482 -3.836 1.00 0.00 H new ATOM 0 HA CYS A 14 0.191 -1.361 -5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.119 -0.409 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.700 -2.051 -3.164 1.00 0.00 H new ATOM 185 N VAL A 15 3.236 -0.890 -4.114 1.00 0.00 N ATOM 186 CA VAL A 15 4.385 -0.001 -4.163 1.00 0.00 C ATOM 187 C VAL A 15 4.883 0.102 -5.607 1.00 0.00 C ATOM 188 O VAL A 15 5.433 1.127 -6.005 1.00 0.00 O ATOM 189 CB VAL A 15 5.464 -0.488 -3.193 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.694 0.422 -3.239 1.00 0.00 C ATOM 191 CG2 VAL A 15 4.913 -0.594 -1.770 1.00 0.00 C ATOM 0 H VAL A 15 3.424 -1.808 -3.712 1.00 0.00 H new ATOM 0 HA VAL A 15 4.106 1.003 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 15 5.773 -1.485 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.445 0.054 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.107 0.425 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.407 1.436 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.699 -0.942 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.563 0.385 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.083 -1.300 -1.753 1.00 0.00 H new ATOM 201 N GLU A 16 4.671 -0.973 -6.351 1.00 0.00 N ATOM 202 CA GLU A 16 5.090 -1.015 -7.742 1.00 0.00 C ATOM 203 C GLU A 16 4.032 -0.365 -8.635 1.00 0.00 C ATOM 204 O GLU A 16 3.772 -0.839 -9.740 1.00 0.00 O ATOM 205 CB GLU A 16 5.375 -2.452 -8.185 1.00 0.00 C ATOM 206 CG GLU A 16 6.811 -2.856 -7.845 1.00 0.00 C ATOM 207 CD GLU A 16 7.808 -2.180 -8.787 1.00 0.00 C ATOM 208 OE1 GLU A 16 8.049 -2.759 -9.869 1.00 0.00 O ATOM 209 OE2 GLU A 16 8.308 -1.101 -8.404 1.00 0.00 O ATOM 0 H GLU A 16 4.215 -1.822 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 16 6.016 -0.449 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.677 -3.132 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.212 -2.544 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.035 -2.581 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.915 -3.939 -7.916 1.00 0.00 H new ATOM 216 N ILE A 17 3.451 0.710 -8.124 1.00 0.00 N ATOM 217 CA ILE A 17 2.428 1.431 -8.862 1.00 0.00 C ATOM 218 C ILE A 17 2.196 2.794 -8.206 1.00 0.00 C ATOM 219 O ILE A 17 2.066 3.803 -8.896 1.00 0.00 O ATOM 220 CB ILE A 17 1.160 0.584 -8.986 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.306 1.044 -10.169 1.00 0.00 C ATOM 222 CG2 ILE A 17 0.371 0.583 -7.674 1.00 0.00 C ATOM 223 CD1 ILE A 17 0.019 2.545 -10.086 1.00 0.00 C ATOM 0 H ILE A 17 3.669 1.100 -7.207 1.00 0.00 H new ATOM 0 HA ILE A 17 2.758 1.621 -9.883 1.00 0.00 H new ATOM 0 HB ILE A 17 1.455 -0.446 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.821 0.819 -11.103 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.633 0.491 -10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.526 -0.026 -7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.990 0.171 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.086 1.604 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.590 2.847 -10.938 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.517 2.762 -9.162 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.959 3.096 -10.098 1.00 0.00 H new ATOM 235 N CYS A 18 2.153 2.777 -6.882 1.00 0.00 N ATOM 236 CA CYS A 18 1.938 4.000 -6.126 1.00 0.00 C ATOM 237 C CYS A 18 2.932 4.024 -4.962 1.00 0.00 C ATOM 238 O CYS A 18 2.546 3.848 -3.808 1.00 0.00 O ATOM 239 CB CYS A 18 0.492 4.120 -5.643 1.00 0.00 C ATOM 240 SG CYS A 18 -0.150 5.832 -5.560 1.00 0.00 S ATOM 0 H CYS A 18 2.263 1.937 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 18 2.109 4.863 -6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.148 3.539 -6.307 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.416 3.670 -4.653 1.00 0.00 H new ATOM 245 N PRO A 19 4.225 4.250 -5.316 1.00 0.00 N ATOM 246 CA PRO A 19 5.277 4.301 -4.314 1.00 0.00 C ATOM 247 C PRO A 19 5.225 5.614 -3.530 1.00 0.00 C ATOM 248 O PRO A 19 6.068 5.860 -2.669 1.00 0.00 O ATOM 249 CB PRO A 19 6.571 4.125 -5.093 1.00 0.00 C ATOM 250 CG PRO A 19 6.234 4.448 -6.539 1.00 0.00 C ATOM 251 CD PRO A 19 4.719 4.464 -6.673 1.00 0.00 C ATOM 0 HA PRO A 19 5.174 3.524 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.348 4.790 -4.715 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.949 3.107 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.652 5.414 -6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.668 3.705 -7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.367 5.413 -7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.373 3.682 -7.348 1.00 0.00 H new ATOM 259 N ASP A 20 4.226 6.421 -3.856 1.00 0.00 N ATOM 260 CA ASP A 20 4.053 7.703 -3.192 1.00 0.00 C ATOM 261 C ASP A 20 3.033 7.554 -2.063 1.00 0.00 C ATOM 262 O ASP A 20 2.860 8.464 -1.253 1.00 0.00 O ATOM 263 CB ASP A 20 3.530 8.760 -4.166 1.00 0.00 C ATOM 264 CG ASP A 20 4.307 10.078 -4.169 1.00 0.00 C ATOM 265 OD1 ASP A 20 5.178 10.225 -3.285 1.00 0.00 O ATOM 266 OD2 ASP A 20 4.011 10.910 -5.055 1.00 0.00 O ATOM 0 H ASP A 20 3.528 6.213 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 20 5.023 8.017 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.546 8.344 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.488 8.971 -3.925 1.00 0.00 H new ATOM 271 N VAL A 21 2.383 6.399 -2.044 1.00 0.00 N ATOM 272 CA VAL A 21 1.384 6.119 -1.027 1.00 0.00 C ATOM 273 C VAL A 21 1.810 4.887 -0.224 1.00 0.00 C ATOM 274 O VAL A 21 1.552 4.803 0.975 1.00 0.00 O ATOM 275 CB VAL A 21 0.007 5.964 -1.674 1.00 0.00 C ATOM 276 CG1 VAL A 21 -1.041 5.546 -0.640 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.411 7.250 -2.389 1.00 0.00 C ATOM 0 H VAL A 21 2.529 5.646 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 21 1.308 6.952 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 21 0.075 5.173 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.011 5.443 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.754 4.593 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.105 6.305 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.394 7.112 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.453 8.069 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.315 7.487 -3.166 1.00 0.00 H new ATOM 287 N PHE A 22 2.454 3.962 -0.921 1.00 0.00 N ATOM 288 CA PHE A 22 2.919 2.738 -0.288 1.00 0.00 C ATOM 289 C PHE A 22 4.372 2.444 -0.666 1.00 0.00 C ATOM 290 O PHE A 22 4.709 2.375 -1.846 1.00 0.00 O ATOM 291 CB PHE A 22 2.031 1.604 -0.804 1.00 0.00 C ATOM 292 CG PHE A 22 0.537 1.933 -0.801 1.00 0.00 C ATOM 293 CD1 PHE A 22 -0.143 1.998 0.375 1.00 0.00 C ATOM 294 CD2 PHE A 22 -0.112 2.160 -1.975 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.530 2.304 0.378 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.499 2.466 -1.972 1.00 0.00 C ATOM 297 CZ PHE A 22 -2.178 2.530 -0.795 1.00 0.00 C ATOM 0 H PHE A 22 2.665 4.035 -1.916 1.00 0.00 H new ATOM 0 HA PHE A 22 2.866 2.836 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.335 1.352 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.199 0.718 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.372 1.817 1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.427 2.108 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.069 2.357 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.014 2.648 -2.904 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.233 2.761 -0.793 1.00 0.00 H new ATOM 307 N GLU A 23 5.194 2.279 0.360 1.00 0.00 N ATOM 308 CA GLU A 23 6.604 1.994 0.152 1.00 0.00 C ATOM 309 C GLU A 23 7.076 0.913 1.126 1.00 0.00 C ATOM 310 O GLU A 23 6.546 0.792 2.230 1.00 0.00 O ATOM 311 CB GLU A 23 7.447 3.263 0.290 1.00 0.00 C ATOM 312 CG GLU A 23 8.909 2.921 0.583 1.00 0.00 C ATOM 313 CD GLU A 23 9.589 2.325 -0.651 1.00 0.00 C ATOM 314 OE1 GLU A 23 8.847 1.953 -1.585 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.838 2.254 -0.632 1.00 0.00 O ATOM 0 H GLU A 23 4.911 2.337 1.338 1.00 0.00 H new ATOM 0 HA GLU A 23 6.733 1.621 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.383 3.848 -0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.047 3.884 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.441 3.819 0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.962 2.213 1.410 1.00 0.00 H new ATOM 322 N MET A 24 8.069 0.155 0.684 1.00 0.00 N ATOM 323 CA MET A 24 8.618 -0.912 1.503 1.00 0.00 C ATOM 324 C MET A 24 8.988 -0.398 2.896 1.00 0.00 C ATOM 325 O MET A 24 9.329 0.773 3.060 1.00 0.00 O ATOM 326 CB MET A 24 9.864 -1.487 0.824 1.00 0.00 C ATOM 327 CG MET A 24 9.651 -1.624 -0.685 1.00 0.00 C ATOM 328 SD MET A 24 10.577 -0.365 -1.548 1.00 0.00 S ATOM 329 CE MET A 24 11.875 -1.364 -2.254 1.00 0.00 C ATOM 0 H MET A 24 8.508 0.259 -0.231 1.00 0.00 H new ATOM 0 HA MET A 24 7.861 -1.688 1.611 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.719 -0.840 1.017 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.099 -2.462 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.968 -2.613 -1.017 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.591 -1.533 -0.921 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.549 -0.730 -2.831 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.432 -1.854 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.438 -2.119 -2.908 1.00 0.00 H new ATOM 339 N ASN A 25 8.907 -1.298 3.865 1.00 0.00 N ATOM 340 CA ASN A 25 9.228 -0.951 5.239 1.00 0.00 C ATOM 341 C ASN A 25 10.686 -0.494 5.317 1.00 0.00 C ATOM 342 O ASN A 25 11.183 0.168 4.406 1.00 0.00 O ATOM 343 CB ASN A 25 9.060 -2.156 6.165 1.00 0.00 C ATOM 344 CG ASN A 25 8.836 -1.709 7.611 1.00 0.00 C ATOM 345 OD1 ASN A 25 7.952 -0.924 7.916 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.683 -2.251 8.482 1.00 0.00 N ATOM 0 H ASN A 25 8.623 -2.268 3.726 1.00 0.00 H new ATOM 0 HA ASN A 25 8.550 -0.158 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.216 -2.760 5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.946 -2.788 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.616 -2.016 9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.400 -2.901 8.159 1.00 0.00 H new ATOM 353 N GLU A 26 11.331 -0.865 6.413 1.00 0.00 N ATOM 354 CA GLU A 26 12.722 -0.501 6.623 1.00 0.00 C ATOM 355 C GLU A 26 13.643 -1.524 5.956 1.00 0.00 C ATOM 356 O GLU A 26 14.799 -1.224 5.660 1.00 0.00 O ATOM 357 CB GLU A 26 13.036 -0.369 8.114 1.00 0.00 C ATOM 358 CG GLU A 26 13.951 0.829 8.378 1.00 0.00 C ATOM 359 CD GLU A 26 15.167 0.417 9.210 1.00 0.00 C ATOM 360 OE1 GLU A 26 16.098 -0.158 8.606 1.00 0.00 O ATOM 361 OE2 GLU A 26 15.137 0.686 10.430 1.00 0.00 O ATOM 0 H GLU A 26 10.916 -1.414 7.166 1.00 0.00 H new ATOM 0 HA GLU A 26 12.897 0.471 6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.109 -0.254 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.514 -1.281 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.281 1.255 7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.395 1.608 8.901 1.00 0.00 H new ATOM 368 N GLU A 27 13.099 -2.712 5.740 1.00 0.00 N ATOM 369 CA GLU A 27 13.858 -3.782 5.115 1.00 0.00 C ATOM 370 C GLU A 27 12.973 -4.560 4.138 1.00 0.00 C ATOM 371 O GLU A 27 13.353 -5.631 3.668 1.00 0.00 O ATOM 372 CB GLU A 27 14.463 -4.712 6.167 1.00 0.00 C ATOM 373 CG GLU A 27 14.770 -3.953 7.459 1.00 0.00 C ATOM 374 CD GLU A 27 15.574 -4.822 8.428 1.00 0.00 C ATOM 375 OE1 GLU A 27 15.304 -6.043 8.454 1.00 0.00 O ATOM 376 OE2 GLU A 27 16.439 -4.246 9.122 1.00 0.00 O ATOM 0 H GLU A 27 12.140 -2.958 5.987 1.00 0.00 H new ATOM 0 HA GLU A 27 14.681 -3.338 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.772 -5.528 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.377 -5.160 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.329 -3.046 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.839 -3.641 7.932 1.00 0.00 H new ATOM 383 N GLY A 28 11.808 -3.991 3.863 1.00 0.00 N ATOM 384 CA GLY A 28 10.866 -4.618 2.951 1.00 0.00 C ATOM 385 C GLY A 28 10.134 -5.777 3.632 1.00 0.00 C ATOM 386 O GLY A 28 9.487 -6.584 2.965 1.00 0.00 O ATOM 0 H GLY A 28 11.495 -3.103 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.143 -3.880 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.395 -4.984 2.071 1.00 0.00 H new ATOM 390 N ASP A 29 10.259 -5.823 4.950 1.00 0.00 N ATOM 391 CA ASP A 29 9.617 -6.868 5.727 1.00 0.00 C ATOM 392 C ASP A 29 8.105 -6.812 5.500 1.00 0.00 C ATOM 393 O ASP A 29 7.389 -7.759 5.824 1.00 0.00 O ATOM 394 CB ASP A 29 9.877 -6.682 7.224 1.00 0.00 C ATOM 395 CG ASP A 29 10.123 -7.974 8.004 1.00 0.00 C ATOM 396 OD1 ASP A 29 11.108 -8.664 7.664 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.319 -8.243 8.923 1.00 0.00 O ATOM 0 H ASP A 29 10.796 -5.152 5.500 1.00 0.00 H new ATOM 0 HA ASP A 29 10.027 -7.825 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.742 -6.030 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.023 -6.167 7.664 1.00 0.00 H new ATOM 402 N LYS A 30 7.663 -5.693 4.944 1.00 0.00 N ATOM 403 CA LYS A 30 6.250 -5.501 4.671 1.00 0.00 C ATOM 404 C LYS A 30 6.043 -4.134 4.016 1.00 0.00 C ATOM 405 O LYS A 30 6.890 -3.250 4.135 1.00 0.00 O ATOM 406 CB LYS A 30 5.425 -5.706 5.942 1.00 0.00 C ATOM 407 CG LYS A 30 4.397 -6.824 5.755 1.00 0.00 C ATOM 408 CD LYS A 30 3.817 -7.265 7.100 1.00 0.00 C ATOM 409 CE LYS A 30 4.614 -8.432 7.685 1.00 0.00 C ATOM 410 NZ LYS A 30 5.237 -8.042 8.970 1.00 0.00 N ATOM 0 H LYS A 30 8.259 -4.910 4.675 1.00 0.00 H new ATOM 0 HA LYS A 30 5.893 -6.251 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.086 -5.951 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.915 -4.778 6.202 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.594 -6.479 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.865 -7.675 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.828 -6.427 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.775 -7.559 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.957 -9.288 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.385 -8.743 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.774 -8.846 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.879 -7.239 8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.496 -7.767 9.646 1.00 0.00 H new ATOM 423 N ALA A 31 4.912 -4.003 3.339 1.00 0.00 N ATOM 424 CA ALA A 31 4.582 -2.758 2.666 1.00 0.00 C ATOM 425 C ALA A 31 4.065 -1.748 3.692 1.00 0.00 C ATOM 426 O ALA A 31 3.007 -1.949 4.285 1.00 0.00 O ATOM 427 CB ALA A 31 3.568 -3.031 1.553 1.00 0.00 C ATOM 0 H ALA A 31 4.212 -4.739 3.242 1.00 0.00 H new ATOM 0 HA ALA A 31 5.469 -2.328 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.321 -2.097 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.996 -3.729 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.663 -3.462 1.982 1.00 0.00 H new ATOM 433 N VAL A 32 4.836 -0.686 3.870 1.00 0.00 N ATOM 434 CA VAL A 32 4.469 0.355 4.815 1.00 0.00 C ATOM 435 C VAL A 32 3.796 1.505 4.064 1.00 0.00 C ATOM 436 O VAL A 32 3.913 1.607 2.844 1.00 0.00 O ATOM 437 CB VAL A 32 5.699 0.799 5.610 1.00 0.00 C ATOM 438 CG1 VAL A 32 6.680 1.564 4.719 1.00 0.00 C ATOM 439 CG2 VAL A 32 5.294 1.634 6.826 1.00 0.00 C ATOM 0 H VAL A 32 5.713 -0.524 3.376 1.00 0.00 H new ATOM 0 HA VAL A 32 3.750 -0.025 5.541 1.00 0.00 H new ATOM 0 HB VAL A 32 6.205 -0.096 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.545 1.868 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.006 0.921 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.189 2.448 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.187 1.937 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.754 2.521 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.653 1.041 7.478 1.00 0.00 H new ATOM 449 N VAL A 33 3.106 2.343 4.824 1.00 0.00 N ATOM 450 CA VAL A 33 2.414 3.482 4.245 1.00 0.00 C ATOM 451 C VAL A 33 3.316 4.715 4.327 1.00 0.00 C ATOM 452 O VAL A 33 4.085 4.865 5.275 1.00 0.00 O ATOM 453 CB VAL A 33 1.065 3.681 4.938 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.292 4.842 4.308 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.239 2.393 4.911 1.00 0.00 C ATOM 0 H VAL A 33 3.011 2.256 5.836 1.00 0.00 H new ATOM 0 HA VAL A 33 2.200 3.305 3.191 1.00 0.00 H new ATOM 0 HB VAL A 33 1.258 3.933 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.663 4.963 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.873 5.760 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.116 4.632 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.715 2.562 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.060 2.097 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.783 1.601 5.426 1.00 0.00 H new ATOM 465 N ILE A 34 3.191 5.568 3.320 1.00 0.00 N ATOM 466 CA ILE A 34 3.984 6.784 3.266 1.00 0.00 C ATOM 467 C ILE A 34 3.052 7.996 3.260 1.00 0.00 C ATOM 468 O ILE A 34 3.373 9.035 3.837 1.00 0.00 O ATOM 469 CB ILE A 34 4.947 6.742 2.077 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.815 5.425 1.310 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.386 7.001 2.528 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.616 5.466 0.007 1.00 0.00 C ATOM 0 H ILE A 34 2.552 5.440 2.535 1.00 0.00 H new ATOM 0 HA ILE A 34 4.612 6.870 4.153 1.00 0.00 H new ATOM 0 HB ILE A 34 4.676 7.543 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.167 4.601 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.765 5.232 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.050 6.966 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.450 7.984 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.685 6.238 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.505 4.518 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.246 6.275 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.669 5.635 0.232 1.00 0.00 H new ATOM 484 N ASN A 35 1.915 7.826 2.601 1.00 0.00 N ATOM 485 CA ASN A 35 0.934 8.893 2.514 1.00 0.00 C ATOM 486 C ASN A 35 -0.362 8.448 3.194 1.00 0.00 C ATOM 487 O ASN A 35 -1.312 8.043 2.526 1.00 0.00 O ATOM 488 CB ASN A 35 0.611 9.226 1.055 1.00 0.00 C ATOM 489 CG ASN A 35 0.494 10.737 0.850 1.00 0.00 C ATOM 490 OD1 ASN A 35 0.025 11.472 1.703 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.946 11.160 -0.328 1.00 0.00 N ATOM 0 H ASN A 35 1.652 6.965 2.122 1.00 0.00 H new ATOM 0 HA ASN A 35 1.351 9.774 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.391 8.827 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.322 8.743 0.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.912 12.152 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.327 10.492 -0.998 1.00 0.00 H new ATOM 498 N PRO A 36 -0.358 8.539 4.552 1.00 0.00 N ATOM 499 CA PRO A 36 -1.521 8.149 5.331 1.00 0.00 C ATOM 500 C PRO A 36 -2.626 9.202 5.229 1.00 0.00 C ATOM 501 O PRO A 36 -3.304 9.493 6.214 1.00 0.00 O ATOM 502 CB PRO A 36 -1.002 7.969 6.748 1.00 0.00 C ATOM 503 CG PRO A 36 0.324 8.709 6.805 1.00 0.00 C ATOM 504 CD PRO A 36 0.749 9.013 5.377 1.00 0.00 C ATOM 0 HA PRO A 36 -1.981 7.229 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.706 8.373 7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.870 6.913 6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.223 9.631 7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.078 8.103 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.921 10.080 5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.678 8.503 5.123 1.00 0.00 H new ATOM 512 N ASP A 37 -2.774 9.744 4.028 1.00 0.00 N ATOM 513 CA ASP A 37 -3.786 10.759 3.785 1.00 0.00 C ATOM 514 C ASP A 37 -3.576 11.359 2.394 1.00 0.00 C ATOM 515 O ASP A 37 -3.674 12.572 2.216 1.00 0.00 O ATOM 516 CB ASP A 37 -3.688 11.891 4.809 1.00 0.00 C ATOM 517 CG ASP A 37 -4.670 13.045 4.592 1.00 0.00 C ATOM 518 OD1 ASP A 37 -5.529 12.899 3.697 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.539 14.047 5.328 1.00 0.00 O ATOM 0 H ASP A 37 -2.211 9.500 3.214 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.765 10.286 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.852 11.476 5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.673 12.289 4.793 1.00 0.00 H new ATOM 524 N SER A 38 -3.292 10.481 1.443 1.00 0.00 N ATOM 525 CA SER A 38 -3.068 10.909 0.072 1.00 0.00 C ATOM 526 C SER A 38 -4.381 11.391 -0.547 1.00 0.00 C ATOM 527 O SER A 38 -5.357 11.624 0.163 1.00 0.00 O ATOM 528 CB SER A 38 -2.469 9.779 -0.767 1.00 0.00 C ATOM 529 OG SER A 38 -1.380 10.228 -1.568 1.00 0.00 O ATOM 0 H SER A 38 -3.212 9.476 1.595 1.00 0.00 H new ATOM 0 HA SER A 38 -2.355 11.733 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.129 8.980 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.241 9.356 -1.409 1.00 0.00 H new ATOM 0 HG SER A 38 -1.588 11.112 -1.936 1.00 0.00 H new ATOM 535 N ASP A 39 -4.361 11.528 -1.865 1.00 0.00 N ATOM 536 CA ASP A 39 -5.538 11.980 -2.588 1.00 0.00 C ATOM 537 C ASP A 39 -5.289 11.847 -4.092 1.00 0.00 C ATOM 538 O ASP A 39 -5.776 12.658 -4.878 1.00 0.00 O ATOM 539 CB ASP A 39 -5.841 13.448 -2.286 1.00 0.00 C ATOM 540 CG ASP A 39 -5.022 14.457 -3.095 1.00 0.00 C ATOM 541 OD1 ASP A 39 -3.827 14.613 -2.764 1.00 0.00 O ATOM 542 OD2 ASP A 39 -5.610 15.049 -4.026 1.00 0.00 O ATOM 0 H ASP A 39 -3.549 11.334 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.383 11.367 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.900 13.630 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.667 13.629 -1.225 1.00 0.00 H new ATOM 547 N LEU A 40 -4.530 10.820 -4.445 1.00 0.00 N ATOM 548 CA LEU A 40 -4.211 10.572 -5.842 1.00 0.00 C ATOM 549 C LEU A 40 -5.217 9.576 -6.420 1.00 0.00 C ATOM 550 O LEU A 40 -6.233 9.278 -5.794 1.00 0.00 O ATOM 551 CB LEU A 40 -2.754 10.128 -5.986 1.00 0.00 C ATOM 552 CG LEU A 40 -2.070 9.642 -4.707 1.00 0.00 C ATOM 553 CD1 LEU A 40 -2.725 8.360 -4.188 1.00 0.00 C ATOM 554 CD2 LEU A 40 -0.565 9.471 -4.921 1.00 0.00 C ATOM 0 H LEU A 40 -4.127 10.151 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.300 11.490 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.711 9.327 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.179 10.963 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.201 10.404 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.220 8.036 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.776 8.550 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.646 7.579 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.103 9.125 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.390 8.739 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.128 10.427 -5.209 1.00 0.00 H new ATOM 566 N ASP A 41 -4.900 9.087 -7.610 1.00 0.00 N ATOM 567 CA ASP A 41 -5.764 8.131 -8.282 1.00 0.00 C ATOM 568 C ASP A 41 -5.032 6.794 -8.412 1.00 0.00 C ATOM 569 O ASP A 41 -5.566 5.842 -8.980 1.00 0.00 O ATOM 570 CB ASP A 41 -6.127 8.610 -9.689 1.00 0.00 C ATOM 571 CG ASP A 41 -7.198 7.778 -10.398 1.00 0.00 C ATOM 572 OD1 ASP A 41 -8.391 8.050 -10.140 1.00 0.00 O ATOM 573 OD2 ASP A 41 -6.800 6.890 -11.181 1.00 0.00 O ATOM 0 H ASP A 41 -4.056 9.335 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.674 8.025 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.471 9.642 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.225 8.611 -10.301 1.00 0.00 H new ATOM 578 N CYS A 42 -3.820 6.763 -7.876 1.00 0.00 N ATOM 579 CA CYS A 42 -3.011 5.559 -7.925 1.00 0.00 C ATOM 580 C CYS A 42 -3.332 4.712 -6.691 1.00 0.00 C ATOM 581 O CYS A 42 -2.619 3.757 -6.386 1.00 0.00 O ATOM 582 CB CYS A 42 -1.518 5.883 -8.020 1.00 0.00 C ATOM 583 SG CYS A 42 -0.930 7.149 -6.837 1.00 0.00 S ATOM 0 H CYS A 42 -3.380 7.554 -7.406 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.252 4.994 -8.826 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.951 4.966 -7.861 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.298 6.222 -9.032 1.00 0.00 H new ATOM 588 N VAL A 43 -4.405 5.094 -6.015 1.00 0.00 N ATOM 589 CA VAL A 43 -4.829 4.382 -4.821 1.00 0.00 C ATOM 590 C VAL A 43 -5.808 3.274 -5.214 1.00 0.00 C ATOM 591 O VAL A 43 -5.823 2.208 -4.600 1.00 0.00 O ATOM 592 CB VAL A 43 -5.417 5.366 -3.807 1.00 0.00 C ATOM 593 CG1 VAL A 43 -6.355 4.653 -2.832 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.309 6.109 -3.058 1.00 0.00 C ATOM 0 H VAL A 43 -4.994 5.887 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.976 3.906 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.002 6.103 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.759 5.375 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.173 4.191 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.803 3.884 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.754 6.802 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.685 5.391 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.698 6.664 -3.770 1.00 0.00 H new ATOM 604 N GLU A 44 -6.601 3.563 -6.236 1.00 0.00 N ATOM 605 CA GLU A 44 -7.579 2.603 -6.718 1.00 0.00 C ATOM 606 C GLU A 44 -6.886 1.484 -7.498 1.00 0.00 C ATOM 607 O GLU A 44 -7.277 0.322 -7.403 1.00 0.00 O ATOM 608 CB GLU A 44 -8.645 3.291 -7.575 1.00 0.00 C ATOM 609 CG GLU A 44 -9.932 3.509 -6.778 1.00 0.00 C ATOM 610 CD GLU A 44 -11.159 3.100 -7.595 1.00 0.00 C ATOM 611 OE1 GLU A 44 -11.035 2.112 -8.351 1.00 0.00 O ATOM 612 OE2 GLU A 44 -12.194 3.785 -7.446 1.00 0.00 O ATOM 0 H GLU A 44 -6.586 4.448 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.081 2.161 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.267 4.249 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.857 2.684 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.895 2.929 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.014 4.558 -6.492 1.00 0.00 H new ATOM 619 N GLU A 45 -5.869 1.875 -8.253 1.00 0.00 N ATOM 620 CA GLU A 45 -5.118 0.919 -9.049 1.00 0.00 C ATOM 621 C GLU A 45 -4.073 0.212 -8.183 1.00 0.00 C ATOM 622 O GLU A 45 -3.498 -0.794 -8.595 1.00 0.00 O ATOM 623 CB GLU A 45 -4.464 1.602 -10.251 1.00 0.00 C ATOM 624 CG GLU A 45 -3.410 2.615 -9.800 1.00 0.00 C ATOM 625 CD GLU A 45 -3.188 3.688 -10.869 1.00 0.00 C ATOM 626 OE1 GLU A 45 -3.955 3.674 -11.855 1.00 0.00 O ATOM 627 OE2 GLU A 45 -2.256 4.497 -10.675 1.00 0.00 O ATOM 0 H GLU A 45 -5.548 2.840 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.811 0.169 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.002 0.852 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.226 2.105 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.727 3.084 -8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.471 2.101 -9.595 1.00 0.00 H new ATOM 634 N ALA A 46 -3.857 0.769 -7.000 1.00 0.00 N ATOM 635 CA ALA A 46 -2.890 0.205 -6.073 1.00 0.00 C ATOM 636 C ALA A 46 -3.585 -0.831 -5.187 1.00 0.00 C ATOM 637 O ALA A 46 -2.930 -1.690 -4.599 1.00 0.00 O ATOM 638 CB ALA A 46 -2.247 1.330 -5.260 1.00 0.00 C ATOM 0 H ALA A 46 -4.335 1.605 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.092 -0.305 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.522 0.908 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.743 2.023 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.018 1.862 -4.702 1.00 0.00 H new ATOM 644 N ILE A 47 -4.903 -0.717 -5.119 1.00 0.00 N ATOM 645 CA ILE A 47 -5.694 -1.633 -4.315 1.00 0.00 C ATOM 646 C ILE A 47 -6.241 -2.748 -5.209 1.00 0.00 C ATOM 647 O ILE A 47 -6.251 -3.914 -4.818 1.00 0.00 O ATOM 648 CB ILE A 47 -6.777 -0.874 -3.547 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.293 -0.498 -2.144 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.082 -1.671 -3.507 1.00 0.00 C ATOM 651 CD1 ILE A 47 -5.366 0.719 -2.192 1.00 0.00 C ATOM 0 H ILE A 47 -5.444 -0.004 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.072 -2.108 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.983 0.056 -4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.150 -0.282 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.768 -1.343 -1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.835 -1.109 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.433 -1.846 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.909 -2.627 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.036 0.965 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.499 0.491 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.902 1.568 -2.616 1.00 0.00 H new ATOM 663 N ASP A 48 -6.683 -2.350 -6.393 1.00 0.00 N ATOM 664 CA ASP A 48 -7.231 -3.301 -7.346 1.00 0.00 C ATOM 665 C ASP A 48 -6.127 -4.260 -7.794 1.00 0.00 C ATOM 666 O ASP A 48 -6.394 -5.423 -8.091 1.00 0.00 O ATOM 667 CB ASP A 48 -7.770 -2.588 -8.588 1.00 0.00 C ATOM 668 CG ASP A 48 -9.068 -3.168 -9.154 1.00 0.00 C ATOM 669 OD1 ASP A 48 -10.139 -2.737 -8.676 1.00 0.00 O ATOM 670 OD2 ASP A 48 -8.959 -4.031 -10.052 1.00 0.00 O ATOM 0 H ASP A 48 -6.673 -1.382 -6.714 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.044 -3.838 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.935 -1.539 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.007 -2.618 -9.366 1.00 0.00 H new ATOM 675 N SER A 49 -4.910 -3.737 -7.827 1.00 0.00 N ATOM 676 CA SER A 49 -3.763 -4.533 -8.234 1.00 0.00 C ATOM 677 C SER A 49 -3.374 -5.499 -7.114 1.00 0.00 C ATOM 678 O SER A 49 -2.540 -6.382 -7.313 1.00 0.00 O ATOM 679 CB SER A 49 -2.577 -3.642 -8.603 1.00 0.00 C ATOM 680 OG SER A 49 -2.677 -3.141 -9.934 1.00 0.00 O ATOM 0 H SER A 49 -4.693 -2.772 -7.579 1.00 0.00 H new ATOM 0 HA SER A 49 -4.040 -5.106 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.520 -2.807 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.652 -4.209 -8.498 1.00 0.00 H new ATOM 0 HG SER A 49 -2.981 -2.210 -9.911 1.00 0.00 H new ATOM 686 N CYS A 50 -3.995 -5.300 -5.960 1.00 0.00 N ATOM 687 CA CYS A 50 -3.724 -6.143 -4.809 1.00 0.00 C ATOM 688 C CYS A 50 -4.634 -7.370 -4.885 1.00 0.00 C ATOM 689 O CYS A 50 -5.853 -7.251 -4.764 1.00 0.00 O ATOM 690 CB CYS A 50 -3.903 -5.381 -3.495 1.00 0.00 C ATOM 691 SG CYS A 50 -3.654 -6.385 -1.984 1.00 0.00 S ATOM 0 H CYS A 50 -4.685 -4.567 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.682 -6.463 -4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.204 -4.545 -3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.907 -4.957 -3.471 1.00 0.00 H new ATOM 696 N PRO A 51 -3.992 -8.551 -5.091 1.00 0.00 N ATOM 697 CA PRO A 51 -4.731 -9.798 -5.187 1.00 0.00 C ATOM 698 C PRO A 51 -5.208 -10.259 -3.807 1.00 0.00 C ATOM 699 O PRO A 51 -6.264 -10.878 -3.686 1.00 0.00 O ATOM 700 CB PRO A 51 -3.769 -10.777 -5.840 1.00 0.00 C ATOM 701 CG PRO A 51 -2.383 -10.179 -5.663 1.00 0.00 C ATOM 702 CD PRO A 51 -2.551 -8.729 -5.240 1.00 0.00 C ATOM 0 HA PRO A 51 -5.642 -9.703 -5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.833 -11.759 -5.372 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.005 -10.911 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.821 -10.733 -4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.818 -10.242 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.028 -8.526 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.143 -8.049 -5.988 1.00 0.00 H new ATOM 710 N ALA A 52 -4.406 -9.939 -2.802 1.00 0.00 N ATOM 711 CA ALA A 52 -4.733 -10.312 -1.436 1.00 0.00 C ATOM 712 C ALA A 52 -5.664 -9.259 -0.833 1.00 0.00 C ATOM 713 O ALA A 52 -6.162 -9.429 0.279 1.00 0.00 O ATOM 714 CB ALA A 52 -3.443 -10.481 -0.631 1.00 0.00 C ATOM 0 H ALA A 52 -3.531 -9.426 -2.906 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.259 -11.267 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.688 -10.761 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.831 -11.261 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.890 -9.542 -0.628 1.00 0.00 H new ATOM 720 N GLU A 53 -5.870 -8.193 -1.592 1.00 0.00 N ATOM 721 CA GLU A 53 -6.733 -7.112 -1.147 1.00 0.00 C ATOM 722 C GLU A 53 -6.558 -6.878 0.355 1.00 0.00 C ATOM 723 O GLU A 53 -7.519 -6.558 1.053 1.00 0.00 O ATOM 724 CB GLU A 53 -8.195 -7.399 -1.491 1.00 0.00 C ATOM 725 CG GLU A 53 -8.734 -8.567 -0.662 1.00 0.00 C ATOM 726 CD GLU A 53 -10.259 -8.505 -0.553 1.00 0.00 C ATOM 727 OE1 GLU A 53 -10.767 -7.383 -0.344 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.882 -9.581 -0.681 1.00 0.00 O ATOM 0 H GLU A 53 -5.454 -8.055 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.443 -6.202 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.797 -6.509 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.284 -7.630 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.437 -9.510 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.293 -8.544 0.335 1.00 0.00 H new ATOM 735 N ALA A 54 -5.325 -7.048 0.809 1.00 0.00 N ATOM 736 CA ALA A 54 -5.013 -6.861 2.215 1.00 0.00 C ATOM 737 C ALA A 54 -4.922 -5.364 2.517 1.00 0.00 C ATOM 738 O ALA A 54 -4.995 -4.955 3.676 1.00 0.00 O ATOM 739 CB ALA A 54 -3.718 -7.603 2.555 1.00 0.00 C ATOM 0 H ALA A 54 -4.530 -7.313 0.227 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.802 -7.278 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.484 -7.462 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.843 -8.666 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.903 -7.210 1.947 1.00 0.00 H new ATOM 745 N ILE A 55 -4.766 -4.586 1.456 1.00 0.00 N ATOM 746 CA ILE A 55 -4.665 -3.143 1.593 1.00 0.00 C ATOM 747 C ILE A 55 -6.068 -2.533 1.565 1.00 0.00 C ATOM 748 O ILE A 55 -6.685 -2.436 0.506 1.00 0.00 O ATOM 749 CB ILE A 55 -3.724 -2.569 0.532 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.658 -1.043 0.625 1.00 0.00 C ATOM 751 CG2 ILE A 55 -4.121 -3.042 -0.867 1.00 0.00 C ATOM 752 CD1 ILE A 55 -2.316 -0.519 0.113 1.00 0.00 C ATOM 0 H ILE A 55 -4.707 -4.928 0.497 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.222 -2.882 2.554 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.720 -2.947 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.469 -0.605 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.803 -0.732 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.436 -2.619 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.074 -4.130 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.137 -2.714 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.296 0.568 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.509 -0.940 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.185 -0.811 -0.929 1.00 0.00 H new ATOM 764 N VAL A 56 -6.530 -2.138 2.743 1.00 0.00 N ATOM 765 CA VAL A 56 -7.848 -1.541 2.866 1.00 0.00 C ATOM 766 C VAL A 56 -7.702 -0.031 3.070 1.00 0.00 C ATOM 767 O VAL A 56 -6.673 0.436 3.557 1.00 0.00 O ATOM 768 CB VAL A 56 -8.628 -2.222 3.992 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.045 -3.639 3.590 1.00 0.00 C ATOM 770 CG2 VAL A 56 -7.819 -2.236 5.290 1.00 0.00 C ATOM 0 H VAL A 56 -6.015 -2.220 3.620 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.422 -1.693 1.952 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.534 -1.643 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.598 -4.101 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.678 -3.594 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.157 -4.232 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.397 -2.726 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.888 -2.780 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.595 -1.212 5.590 1.00 0.00 H new ATOM 780 N ARG A 57 -8.746 0.690 2.687 1.00 0.00 N ATOM 781 CA ARG A 57 -8.747 2.137 2.822 1.00 0.00 C ATOM 782 C ARG A 57 -9.635 2.561 3.993 1.00 0.00 C ATOM 783 O ARG A 57 -10.466 3.456 3.854 1.00 0.00 O ATOM 784 CB ARG A 57 -9.248 2.808 1.541 1.00 0.00 C ATOM 785 CG ARG A 57 -8.268 2.587 0.386 1.00 0.00 C ATOM 786 CD ARG A 57 -8.886 3.016 -0.946 1.00 0.00 C ATOM 787 NE ARG A 57 -9.954 2.070 -1.337 1.00 0.00 N ATOM 788 CZ ARG A 57 -10.912 2.343 -2.249 1.00 0.00 C ATOM 789 NH1 ARG A 57 -10.942 3.540 -2.872 1.00 0.00 N ATOM 790 NH2 ARG A 57 -11.818 1.423 -2.521 1.00 0.00 N ATOM 0 H ARG A 57 -9.597 0.299 2.283 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.721 2.454 3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.226 2.407 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.378 3.876 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.354 3.153 0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.987 1.535 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.295 4.023 -0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.118 3.049 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.968 1.154 -0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.238 4.246 -2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.669 3.739 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.788 0.521 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.548 1.613 -3.207 1.00 0.00 H new ATOM 804 N SER A 58 -9.429 1.896 5.121 1.00 0.00 N ATOM 805 CA SER A 58 -10.200 2.193 6.315 1.00 0.00 C ATOM 806 C SER A 58 -10.431 3.701 6.428 1.00 0.00 C ATOM 807 O SER A 58 -10.570 4.231 7.529 1.00 0.00 O ATOM 808 CB SER A 58 -9.498 1.669 7.569 1.00 0.00 C ATOM 809 OG SER A 58 -10.252 0.648 8.217 1.00 0.00 O ATOM 810 OXT SER A 58 -10.479 4.388 5.421 1.00 1.00 O ATOM 0 H SER A 58 -8.739 1.153 5.232 1.00 0.00 H new ATOM 0 HA SER A 58 -11.163 1.689 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.517 1.279 7.299 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.333 2.493 8.263 1.00 0.00 H new ATOM 0 HG SER A 58 -9.769 0.339 9.012 1.00 0.00 H new TER 816 SER A 58 HETATM 817 FE1 F3S A 59 0.717 -6.384 0.551 1.00 0.00 FE HETATM 818 FE3 F3S A 59 -1.432 -6.148 -1.441 1.00 0.00 FE HETATM 819 FE4 F3S A 59 0.663 -4.175 -1.315 1.00 0.00 FE HETATM 820 S1 F3S A 59 -0.246 -7.985 -0.791 1.00 0.00 S HETATM 821 S2 F3S A 59 2.435 -5.469 -0.625 1.00 0.00 S HETATM 822 S3 F3S A 59 -0.780 -4.640 0.461 1.00 0.00 S HETATM 823 S4 F3S A 59 -0.138 -5.248 -3.117 1.00 0.00 S