USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 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= -1.74 K(o=-1.7,f=-5.1!) 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= -3.84! C(o=-3.8!,f=-17!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.665 K(o=-0.66,f=-2.4) USER MOD Single : A 38 SER OG : rot 71:sc= -0.933 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 135:sc= 0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.646 6.507 8.890 1.00 0.00 N ATOM 2 CA PRO A 1 -4.405 6.534 7.458 1.00 0.00 C ATOM 3 C PRO A 1 -4.968 5.281 6.783 1.00 0.00 C ATOM 4 O PRO A 1 -5.804 4.585 7.358 1.00 0.00 O ATOM 5 CB PRO A 1 -2.896 6.657 7.315 1.00 0.00 C ATOM 6 CG PRO A 1 -2.315 6.228 8.653 1.00 0.00 C ATOM 7 CD PRO A 1 -3.449 6.197 9.665 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.366 5.814 9.095 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.011 7.413 9.185 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.908 7.364 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.527 6.024 6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.608 7.680 7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.850 5.245 8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -1.538 6.922 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -3.528 5.220 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.291 6.927 10.459 1.00 0.00 H new ATOM 15 N ILE A 2 -4.489 5.033 5.573 1.00 0.00 N ATOM 16 CA ILE A 2 -4.934 3.877 4.814 1.00 0.00 C ATOM 17 C ILE A 2 -4.707 2.610 5.642 1.00 0.00 C ATOM 18 O ILE A 2 -4.354 2.688 6.817 1.00 0.00 O ATOM 19 CB ILE A 2 -4.259 3.844 3.442 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.769 4.173 3.555 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.977 4.769 2.455 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.504 5.641 3.215 1.00 0.00 C ATOM 0 H ILE A 2 -3.797 5.613 5.099 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.004 3.941 4.615 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.336 2.830 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.422 3.962 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.199 3.532 2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.477 4.727 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.013 4.448 2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.953 5.792 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.437 5.848 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.830 5.843 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.056 6.280 3.905 1.00 0.00 H new ATOM 34 N GLU A 3 -4.919 1.473 4.995 1.00 0.00 N ATOM 35 CA GLU A 3 -4.741 0.192 5.656 1.00 0.00 C ATOM 36 C GLU A 3 -3.956 -0.765 4.757 1.00 0.00 C ATOM 37 O GLU A 3 -4.063 -0.701 3.534 1.00 0.00 O ATOM 38 CB GLU A 3 -6.089 -0.411 6.054 1.00 0.00 C ATOM 39 CG GLU A 3 -5.915 -1.473 7.141 1.00 0.00 C ATOM 40 CD GLU A 3 -7.072 -1.429 8.142 1.00 0.00 C ATOM 41 OE1 GLU A 3 -8.118 -2.037 7.829 1.00 0.00 O ATOM 42 OE2 GLU A 3 -6.884 -0.787 9.198 1.00 0.00 O ATOM 0 H GLU A 3 -5.212 1.413 4.020 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.168 0.353 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.752 0.376 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.565 -0.855 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.863 -2.461 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.972 -1.313 7.663 1.00 0.00 H new ATOM 49 N VAL A 4 -3.185 -1.631 5.398 1.00 0.00 N ATOM 50 CA VAL A 4 -2.383 -2.600 4.672 1.00 0.00 C ATOM 51 C VAL A 4 -2.537 -3.975 5.325 1.00 0.00 C ATOM 52 O VAL A 4 -1.809 -4.910 4.992 1.00 0.00 O ATOM 53 CB VAL A 4 -0.928 -2.130 4.604 1.00 0.00 C ATOM 54 CG1 VAL A 4 -0.415 -1.735 5.991 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.035 -3.199 3.973 1.00 0.00 C ATOM 0 H VAL A 4 -3.099 -1.681 6.413 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.730 -2.688 3.643 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.891 -1.246 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.621 -1.405 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.026 -0.924 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.474 -2.594 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.993 -2.839 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.080 -4.110 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.381 -3.411 2.961 1.00 0.00 H new ATOM 65 N ASN A 5 -3.488 -4.056 6.243 1.00 0.00 N ATOM 66 CA ASN A 5 -3.748 -5.300 6.945 1.00 0.00 C ATOM 67 C ASN A 5 -2.421 -5.908 7.403 1.00 0.00 C ATOM 68 O ASN A 5 -1.374 -5.269 7.306 1.00 0.00 O ATOM 69 CB ASN A 5 -4.441 -6.314 6.032 1.00 0.00 C ATOM 70 CG ASN A 5 -5.891 -5.907 5.763 1.00 0.00 C ATOM 71 OD1 ASN A 5 -6.320 -4.805 6.063 1.00 0.00 O ATOM 72 ND2 ASN A 5 -6.620 -6.855 5.181 1.00 0.00 N ATOM 0 H ASN A 5 -4.089 -3.279 6.517 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.394 -5.079 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.900 -6.389 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.416 -7.301 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.600 -6.681 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.199 -7.756 4.956 1.00 0.00 H new ATOM 79 N ASP A 6 -2.506 -7.137 7.892 1.00 0.00 N ATOM 80 CA ASP A 6 -1.325 -7.838 8.365 1.00 0.00 C ATOM 81 C ASP A 6 -1.137 -9.120 7.552 1.00 0.00 C ATOM 82 O ASP A 6 -0.011 -9.574 7.352 1.00 0.00 O ATOM 83 CB ASP A 6 -1.469 -8.229 9.837 1.00 0.00 C ATOM 84 CG ASP A 6 -0.203 -8.796 10.483 1.00 0.00 C ATOM 85 OD1 ASP A 6 0.303 -9.806 9.948 1.00 0.00 O ATOM 86 OD2 ASP A 6 0.229 -8.208 11.498 1.00 0.00 O ATOM 0 H ASP A 6 -3.375 -7.665 7.971 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.470 -7.172 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.785 -7.351 10.401 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.266 -8.968 9.925 1.00 0.00 H new ATOM 91 N ASP A 7 -2.258 -9.668 7.105 1.00 0.00 N ATOM 92 CA ASP A 7 -2.231 -10.889 6.317 1.00 0.00 C ATOM 93 C ASP A 7 -1.395 -10.659 5.057 1.00 0.00 C ATOM 94 O ASP A 7 -0.941 -11.613 4.427 1.00 0.00 O ATOM 95 CB ASP A 7 -3.641 -11.295 5.882 1.00 0.00 C ATOM 96 CG ASP A 7 -4.320 -12.332 6.778 1.00 0.00 C ATOM 97 OD1 ASP A 7 -4.273 -12.135 8.011 1.00 0.00 O ATOM 98 OD2 ASP A 7 -4.872 -13.298 6.208 1.00 0.00 O ATOM 0 H ASP A 7 -3.190 -9.289 7.273 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.802 -11.679 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.265 -10.402 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.592 -11.690 4.867 1.00 0.00 H new ATOM 103 N CYS A 8 -1.216 -9.389 4.727 1.00 0.00 N ATOM 104 CA CYS A 8 -0.442 -9.022 3.553 1.00 0.00 C ATOM 105 C CYS A 8 0.944 -9.660 3.672 1.00 0.00 C ATOM 106 O CYS A 8 1.372 -10.022 4.767 1.00 0.00 O ATOM 107 CB CYS A 8 -0.359 -7.504 3.382 1.00 0.00 C ATOM 108 SG CYS A 8 1.215 -6.897 2.668 1.00 0.00 S ATOM 0 H CYS A 8 -1.594 -8.600 5.252 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.937 -9.396 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.181 -7.179 2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.506 -7.034 4.355 1.00 0.00 H new ATOM 113 N MET A 9 1.606 -9.778 2.531 1.00 0.00 N ATOM 114 CA MET A 9 2.934 -10.366 2.494 1.00 0.00 C ATOM 115 C MET A 9 3.999 -9.299 2.232 1.00 0.00 C ATOM 116 O MET A 9 4.496 -8.671 3.165 1.00 0.00 O ATOM 117 CB MET A 9 2.992 -11.427 1.393 1.00 0.00 C ATOM 118 CG MET A 9 2.564 -12.796 1.928 1.00 0.00 C ATOM 119 SD MET A 9 1.629 -13.671 0.684 1.00 0.00 S ATOM 120 CE MET A 9 2.831 -14.898 0.199 1.00 0.00 C ATOM 0 H MET A 9 1.248 -9.476 1.625 1.00 0.00 H new ATOM 0 HA MET A 9 3.136 -10.823 3.463 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.342 -11.136 0.568 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.005 -11.488 0.995 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.442 -13.376 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.961 -12.672 2.828 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.408 -15.535 -0.578 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.723 -14.402 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.098 -15.507 1.063 1.00 0.00 H new ATOM 130 N ALA A 10 4.316 -9.127 0.958 1.00 0.00 N ATOM 131 CA ALA A 10 5.313 -8.147 0.560 1.00 0.00 C ATOM 132 C ALA A 10 5.585 -8.281 -0.939 1.00 0.00 C ATOM 133 O ALA A 10 6.734 -8.211 -1.374 1.00 0.00 O ATOM 134 CB ALA A 10 6.577 -8.334 1.401 1.00 0.00 C ATOM 0 H ALA A 10 3.900 -9.650 0.187 1.00 0.00 H new ATOM 0 HA ALA A 10 4.949 -7.135 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.325 -7.599 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.336 -8.199 2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.972 -9.338 1.245 1.00 0.00 H new ATOM 140 N CYS A 11 4.510 -8.472 -1.689 1.00 0.00 N ATOM 141 CA CYS A 11 4.619 -8.616 -3.131 1.00 0.00 C ATOM 142 C CYS A 11 5.207 -7.324 -3.700 1.00 0.00 C ATOM 143 O CYS A 11 5.888 -7.346 -4.724 1.00 0.00 O ATOM 144 CB CYS A 11 3.271 -8.959 -3.768 1.00 0.00 C ATOM 145 SG CYS A 11 3.379 -9.736 -5.421 1.00 0.00 S ATOM 0 H CYS A 11 3.559 -8.530 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 11 5.281 -9.449 -3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.730 -9.630 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.681 -8.046 -3.849 1.00 0.00 H new ATOM 0 HG CYS A 11 2.182 -9.984 -5.863 1.00 0.00 H new ATOM 150 N GLU A 12 4.922 -6.228 -3.012 1.00 0.00 N ATOM 151 CA GLU A 12 5.414 -4.928 -3.437 1.00 0.00 C ATOM 152 C GLU A 12 4.676 -4.466 -4.695 1.00 0.00 C ATOM 153 O GLU A 12 5.212 -3.687 -5.482 1.00 0.00 O ATOM 154 CB GLU A 12 6.926 -4.964 -3.670 1.00 0.00 C ATOM 155 CG GLU A 12 7.666 -4.169 -2.593 1.00 0.00 C ATOM 156 CD GLU A 12 7.970 -5.045 -1.377 1.00 0.00 C ATOM 157 OE1 GLU A 12 6.992 -5.520 -0.761 1.00 0.00 O ATOM 158 OE2 GLU A 12 9.174 -5.220 -1.090 1.00 0.00 O ATOM 0 H GLU A 12 4.357 -6.213 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 12 5.219 -4.209 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.273 -5.997 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.156 -4.553 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.596 -3.773 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.063 -3.314 -2.288 1.00 0.00 H new ATOM 165 N ALA A 13 3.458 -4.966 -4.844 1.00 0.00 N ATOM 166 CA ALA A 13 2.640 -4.614 -5.993 1.00 0.00 C ATOM 167 C ALA A 13 2.200 -3.154 -5.872 1.00 0.00 C ATOM 168 O ALA A 13 2.330 -2.382 -6.821 1.00 0.00 O ATOM 169 CB ALA A 13 1.454 -5.575 -6.089 1.00 0.00 C ATOM 0 H ALA A 13 3.018 -5.612 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 13 3.212 -4.710 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.841 -5.311 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.821 -6.595 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.854 -5.505 -5.182 1.00 0.00 H new ATOM 175 N CYS A 14 1.688 -2.819 -4.697 1.00 0.00 N ATOM 176 CA CYS A 14 1.227 -1.465 -4.439 1.00 0.00 C ATOM 177 C CYS A 14 2.423 -0.519 -4.561 1.00 0.00 C ATOM 178 O CYS A 14 2.278 0.616 -5.009 1.00 0.00 O ATOM 179 CB CYS A 14 0.544 -1.350 -3.074 1.00 0.00 C ATOM 180 SG CYS A 14 1.522 -2.004 -1.670 1.00 0.00 S ATOM 0 H CYS A 14 1.582 -3.462 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 14 0.471 -1.189 -5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.318 -0.301 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.408 -1.879 -3.114 1.00 0.00 H new ATOM 185 N VAL A 15 3.580 -1.024 -4.154 1.00 0.00 N ATOM 186 CA VAL A 15 4.800 -0.237 -4.212 1.00 0.00 C ATOM 187 C VAL A 15 5.273 -0.144 -5.664 1.00 0.00 C ATOM 188 O VAL A 15 5.907 0.835 -6.051 1.00 0.00 O ATOM 189 CB VAL A 15 5.853 -0.837 -3.277 1.00 0.00 C ATOM 190 CG1 VAL A 15 7.086 0.064 -3.192 1.00 0.00 C ATOM 191 CG2 VAL A 15 5.268 -1.099 -1.889 1.00 0.00 C ATOM 0 H VAL A 15 3.697 -1.967 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 15 4.617 0.780 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 15 6.166 -1.794 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.819 -0.385 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.523 0.177 -4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.796 1.043 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.037 -1.525 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.914 -0.161 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.435 -1.798 -1.971 1.00 0.00 H new ATOM 201 N GLU A 16 4.946 -1.177 -6.426 1.00 0.00 N ATOM 202 CA GLU A 16 5.329 -1.224 -7.827 1.00 0.00 C ATOM 203 C GLU A 16 4.286 -0.508 -8.688 1.00 0.00 C ATOM 204 O GLU A 16 4.117 -0.832 -9.862 1.00 0.00 O ATOM 205 CB GLU A 16 5.528 -2.668 -8.294 1.00 0.00 C ATOM 206 CG GLU A 16 6.952 -3.146 -8.008 1.00 0.00 C ATOM 207 CD GLU A 16 6.967 -4.626 -7.622 1.00 0.00 C ATOM 208 OE1 GLU A 16 6.101 -5.359 -8.149 1.00 0.00 O ATOM 209 OE2 GLU A 16 7.844 -4.993 -6.811 1.00 0.00 O ATOM 0 H GLU A 16 4.420 -1.988 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 16 6.281 -0.706 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.814 -3.319 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.324 -2.740 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.575 -2.990 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.384 -2.552 -7.202 1.00 0.00 H new ATOM 216 N ILE A 17 3.614 0.452 -8.069 1.00 0.00 N ATOM 217 CA ILE A 17 2.591 1.216 -8.764 1.00 0.00 C ATOM 218 C ILE A 17 2.550 2.636 -8.197 1.00 0.00 C ATOM 219 O ILE A 17 2.516 3.608 -8.951 1.00 0.00 O ATOM 220 CB ILE A 17 1.246 0.489 -8.703 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.210 1.180 -9.594 1.00 0.00 C ATOM 222 CG2 ILE A 17 0.760 0.355 -7.259 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.090 2.594 -9.093 1.00 0.00 C ATOM 0 H ILE A 17 3.758 0.718 -7.095 1.00 0.00 H new ATOM 0 HA ILE A 17 2.832 1.302 -9.824 1.00 0.00 H new ATOM 0 HB ILE A 17 1.385 -0.520 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.579 1.224 -10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.709 0.594 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.198 -0.165 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.490 -0.212 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.641 1.346 -6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.829 3.062 -9.744 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.481 2.545 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.826 3.185 -9.101 1.00 0.00 H new ATOM 235 N CYS A 18 2.553 2.712 -6.874 1.00 0.00 N ATOM 236 CA CYS A 18 2.516 3.998 -6.199 1.00 0.00 C ATOM 237 C CYS A 18 3.541 3.972 -5.062 1.00 0.00 C ATOM 238 O CYS A 18 3.191 3.710 -3.913 1.00 0.00 O ATOM 239 CB CYS A 18 1.112 4.331 -5.694 1.00 0.00 C ATOM 240 SG CYS A 18 0.769 6.118 -5.499 1.00 0.00 S ATOM 0 H CYS A 18 2.580 1.904 -6.252 1.00 0.00 H new ATOM 0 HA CYS A 18 2.774 4.789 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.383 3.909 -6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.961 3.840 -4.733 1.00 0.00 H new ATOM 245 N PRO A 19 4.818 4.257 -5.433 1.00 0.00 N ATOM 246 CA PRO A 19 5.895 4.270 -4.458 1.00 0.00 C ATOM 247 C PRO A 19 5.831 5.526 -3.586 1.00 0.00 C ATOM 248 O PRO A 19 6.742 5.788 -2.801 1.00 0.00 O ATOM 249 CB PRO A 19 7.171 4.180 -5.279 1.00 0.00 C ATOM 250 CG PRO A 19 6.786 4.590 -6.692 1.00 0.00 C ATOM 251 CD PRO A 19 5.269 4.574 -6.785 1.00 0.00 C ATOM 0 HA PRO A 19 5.833 3.442 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.941 4.838 -4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.576 3.168 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.172 5.584 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.220 3.905 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.882 5.538 -7.116 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.924 3.829 -7.502 1.00 0.00 H new ATOM 259 N ASP A 20 4.748 6.269 -3.754 1.00 0.00 N ATOM 260 CA ASP A 20 4.553 7.491 -2.993 1.00 0.00 C ATOM 261 C ASP A 20 3.440 7.275 -1.965 1.00 0.00 C ATOM 262 O ASP A 20 3.200 8.132 -1.116 1.00 0.00 O ATOM 263 CB ASP A 20 4.137 8.647 -3.904 1.00 0.00 C ATOM 264 CG ASP A 20 4.603 10.031 -3.446 1.00 0.00 C ATOM 265 OD1 ASP A 20 5.298 10.082 -2.408 1.00 0.00 O ATOM 266 OD2 ASP A 20 4.251 11.007 -4.142 1.00 0.00 O ATOM 0 H ASP A 20 3.996 6.048 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 20 5.496 7.738 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.529 8.461 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.050 8.654 -3.984 1.00 0.00 H new ATOM 271 N VAL A 21 2.791 6.125 -2.076 1.00 0.00 N ATOM 272 CA VAL A 21 1.710 5.786 -1.167 1.00 0.00 C ATOM 273 C VAL A 21 2.101 4.552 -0.353 1.00 0.00 C ATOM 274 O VAL A 21 1.740 4.435 0.817 1.00 0.00 O ATOM 275 CB VAL A 21 0.408 5.598 -1.950 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.711 5.091 -1.038 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.002 6.893 -2.653 1.00 0.00 C ATOM 0 H VAL A 21 2.993 5.417 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 21 1.536 6.598 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 21 0.584 4.843 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.625 4.966 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.422 4.133 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.884 5.812 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.930 6.731 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.151 7.678 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.782 7.194 -3.347 1.00 0.00 H new ATOM 287 N PHE A 22 2.835 3.662 -1.004 1.00 0.00 N ATOM 288 CA PHE A 22 3.281 2.440 -0.355 1.00 0.00 C ATOM 289 C PHE A 22 4.706 2.082 -0.778 1.00 0.00 C ATOM 290 O PHE A 22 4.995 1.972 -1.969 1.00 0.00 O ATOM 291 CB PHE A 22 2.332 1.325 -0.802 1.00 0.00 C ATOM 292 CG PHE A 22 0.855 1.723 -0.793 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.199 1.877 0.389 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.199 1.924 -1.967 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.171 2.246 0.396 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.173 2.293 -1.960 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.829 2.447 -0.778 1.00 0.00 C ATOM 0 H PHE A 22 3.132 3.762 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 22 3.275 2.570 0.727 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.607 1.010 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.469 0.462 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.721 1.718 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.721 1.803 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.692 2.367 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.695 2.451 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.872 2.729 -0.772 1.00 0.00 H new ATOM 307 N GLU A 23 5.561 1.910 0.219 1.00 0.00 N ATOM 308 CA GLU A 23 6.949 1.567 -0.035 1.00 0.00 C ATOM 309 C GLU A 23 7.491 0.679 1.087 1.00 0.00 C ATOM 310 O GLU A 23 7.164 0.880 2.255 1.00 0.00 O ATOM 311 CB GLU A 23 7.804 2.826 -0.200 1.00 0.00 C ATOM 312 CG GLU A 23 9.270 2.539 0.132 1.00 0.00 C ATOM 313 CD GLU A 23 9.567 2.834 1.604 1.00 0.00 C ATOM 314 OE1 GLU A 23 8.589 2.887 2.381 1.00 0.00 O ATOM 315 OE2 GLU A 23 10.764 3.001 1.920 1.00 0.00 O ATOM 0 H GLU A 23 5.319 2.002 1.205 1.00 0.00 H new ATOM 0 HA GLU A 23 6.999 1.008 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.724 3.193 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.427 3.614 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.499 1.496 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.916 3.147 -0.502 1.00 0.00 H new ATOM 322 N MET A 24 8.309 -0.286 0.692 1.00 0.00 N ATOM 323 CA MET A 24 8.900 -1.205 1.650 1.00 0.00 C ATOM 324 C MET A 24 9.181 -0.504 2.980 1.00 0.00 C ATOM 325 O MET A 24 9.586 0.656 3.000 1.00 0.00 O ATOM 326 CB MET A 24 10.204 -1.767 1.082 1.00 0.00 C ATOM 327 CG MET A 24 10.234 -1.647 -0.443 1.00 0.00 C ATOM 328 SD MET A 24 11.600 -2.589 -1.103 1.00 0.00 S ATOM 329 CE MET A 24 12.922 -1.407 -0.893 1.00 0.00 C ATOM 0 H MET A 24 8.576 -0.451 -0.278 1.00 0.00 H new ATOM 0 HA MET A 24 8.194 -2.016 1.831 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.052 -1.231 1.509 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.310 -2.813 1.370 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.295 -2.009 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.330 -0.600 -0.732 1.00 0.00 H new ATOM 0 HE1 MET A 24 13.855 -1.836 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.694 -0.502 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.024 -1.160 0.164 1.00 0.00 H new ATOM 339 N ASN A 25 8.957 -1.240 4.059 1.00 0.00 N ATOM 340 CA ASN A 25 9.182 -0.704 5.391 1.00 0.00 C ATOM 341 C ASN A 25 10.687 -0.548 5.625 1.00 0.00 C ATOM 342 O ASN A 25 11.458 -0.433 4.674 1.00 0.00 O ATOM 343 CB ASN A 25 8.632 -1.645 6.464 1.00 0.00 C ATOM 344 CG ASN A 25 9.519 -2.883 6.615 1.00 0.00 C ATOM 345 OD1 ASN A 25 9.891 -3.532 5.653 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.835 -3.171 7.875 1.00 0.00 N ATOM 0 H ASN A 25 8.622 -2.203 4.038 1.00 0.00 H new ATOM 0 HA ASN A 25 8.672 0.257 5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.570 -1.119 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.619 -1.949 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.423 -3.978 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.489 -2.584 8.634 1.00 0.00 H new ATOM 353 N GLU A 26 11.058 -0.549 6.897 1.00 0.00 N ATOM 354 CA GLU A 26 12.456 -0.408 7.268 1.00 0.00 C ATOM 355 C GLU A 26 13.256 -1.623 6.792 1.00 0.00 C ATOM 356 O GLU A 26 14.278 -1.473 6.123 1.00 0.00 O ATOM 357 CB GLU A 26 12.605 -0.212 8.778 1.00 0.00 C ATOM 358 CG GLU A 26 13.682 0.827 9.093 1.00 0.00 C ATOM 359 CD GLU A 26 14.776 0.232 9.981 1.00 0.00 C ATOM 360 OE1 GLU A 26 14.406 -0.368 11.013 1.00 0.00 O ATOM 361 OE2 GLU A 26 15.959 0.391 9.608 1.00 0.00 O ATOM 0 H GLU A 26 10.415 -0.645 7.683 1.00 0.00 H new ATOM 0 HA GLU A 26 12.854 0.480 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.653 0.106 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.862 -1.161 9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.121 1.193 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.230 1.684 9.592 1.00 0.00 H new ATOM 368 N GLU A 27 12.762 -2.797 7.154 1.00 0.00 N ATOM 369 CA GLU A 27 13.417 -4.035 6.772 1.00 0.00 C ATOM 370 C GLU A 27 13.057 -4.404 5.332 1.00 0.00 C ATOM 371 O GLU A 27 13.560 -5.391 4.796 1.00 0.00 O ATOM 372 CB GLU A 27 13.055 -5.168 7.736 1.00 0.00 C ATOM 373 CG GLU A 27 13.495 -4.835 9.163 1.00 0.00 C ATOM 374 CD GLU A 27 14.583 -5.799 9.640 1.00 0.00 C ATOM 375 OE1 GLU A 27 14.504 -6.983 9.248 1.00 0.00 O ATOM 376 OE2 GLU A 27 15.469 -5.330 10.388 1.00 0.00 O ATOM 0 H GLU A 27 11.914 -2.917 7.709 1.00 0.00 H new ATOM 0 HA GLU A 27 14.495 -3.885 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.979 -5.339 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.531 -6.093 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.868 -3.812 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.637 -4.888 9.834 1.00 0.00 H new ATOM 383 N GLY A 28 12.188 -3.593 4.747 1.00 0.00 N ATOM 384 CA GLY A 28 11.754 -3.822 3.380 1.00 0.00 C ATOM 385 C GLY A 28 11.066 -5.182 3.242 1.00 0.00 C ATOM 386 O GLY A 28 11.152 -5.822 2.196 1.00 0.00 O ATOM 0 H GLY A 28 11.773 -2.776 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.068 -3.031 3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.612 -3.775 2.710 1.00 0.00 H new ATOM 390 N ASP A 29 10.401 -5.584 4.315 1.00 0.00 N ATOM 391 CA ASP A 29 9.699 -6.855 4.328 1.00 0.00 C ATOM 392 C ASP A 29 8.192 -6.602 4.393 1.00 0.00 C ATOM 393 O ASP A 29 7.396 -7.523 4.220 1.00 0.00 O ATOM 394 CB ASP A 29 10.093 -7.689 5.550 1.00 0.00 C ATOM 395 CG ASP A 29 10.398 -9.160 5.259 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.345 -9.525 4.064 1.00 0.00 O ATOM 397 OD2 ASP A 29 10.676 -9.886 6.237 1.00 0.00 O ATOM 0 H ASP A 29 10.334 -5.051 5.182 1.00 0.00 H new ATOM 0 HA ASP A 29 9.966 -7.396 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.970 -7.236 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.286 -7.639 6.281 1.00 0.00 H new ATOM 402 N LYS A 30 7.846 -5.348 4.645 1.00 0.00 N ATOM 403 CA LYS A 30 6.449 -4.961 4.736 1.00 0.00 C ATOM 404 C LYS A 30 6.243 -3.633 4.005 1.00 0.00 C ATOM 405 O LYS A 30 6.959 -2.664 4.257 1.00 0.00 O ATOM 406 CB LYS A 30 5.994 -4.937 6.196 1.00 0.00 C ATOM 407 CG LYS A 30 5.753 -6.355 6.719 1.00 0.00 C ATOM 408 CD LYS A 30 4.769 -6.348 7.890 1.00 0.00 C ATOM 409 CE LYS A 30 5.491 -6.605 9.214 1.00 0.00 C ATOM 410 NZ LYS A 30 5.534 -8.054 9.508 1.00 0.00 N ATOM 0 H LYS A 30 8.510 -4.587 4.789 1.00 0.00 H new ATOM 0 HA LYS A 30 5.816 -5.698 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.749 -4.443 6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.079 -4.352 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.364 -6.981 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.698 -6.795 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.255 -5.388 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.006 -7.111 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.505 -6.208 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.981 -6.079 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.027 -8.211 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.564 -8.424 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.041 -8.548 8.746 1.00 0.00 H new ATOM 423 N ALA A 31 5.261 -3.629 3.116 1.00 0.00 N ATOM 424 CA ALA A 31 4.953 -2.435 2.347 1.00 0.00 C ATOM 425 C ALA A 31 4.372 -1.370 3.279 1.00 0.00 C ATOM 426 O ALA A 31 3.173 -1.365 3.551 1.00 0.00 O ATOM 427 CB ALA A 31 3.999 -2.795 1.206 1.00 0.00 C ATOM 0 H ALA A 31 4.668 -4.433 2.911 1.00 0.00 H new ATOM 0 HA ALA A 31 5.857 -2.023 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.768 -1.900 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.470 -3.533 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.079 -3.209 1.618 1.00 0.00 H new ATOM 433 N VAL A 32 5.250 -0.492 3.742 1.00 0.00 N ATOM 434 CA VAL A 32 4.840 0.575 4.638 1.00 0.00 C ATOM 435 C VAL A 32 4.121 1.662 3.834 1.00 0.00 C ATOM 436 O VAL A 32 4.268 1.737 2.615 1.00 0.00 O ATOM 437 CB VAL A 32 6.049 1.105 5.410 1.00 0.00 C ATOM 438 CG1 VAL A 32 6.873 2.065 4.548 1.00 0.00 C ATOM 439 CG2 VAL A 32 5.616 1.776 6.715 1.00 0.00 C ATOM 0 H VAL A 32 6.244 -0.498 3.513 1.00 0.00 H new ATOM 0 HA VAL A 32 4.136 0.200 5.381 1.00 0.00 H new ATOM 0 HB VAL A 32 6.682 0.255 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.727 2.427 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.228 1.543 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.252 2.910 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.495 2.144 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.951 2.610 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.093 1.052 7.340 1.00 0.00 H new ATOM 449 N VAL A 33 3.359 2.476 4.549 1.00 0.00 N ATOM 450 CA VAL A 33 2.618 3.555 3.918 1.00 0.00 C ATOM 451 C VAL A 33 3.421 4.852 4.028 1.00 0.00 C ATOM 452 O VAL A 33 3.989 5.149 5.077 1.00 0.00 O ATOM 453 CB VAL A 33 1.222 3.662 4.536 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.470 4.875 3.986 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.424 2.376 4.315 1.00 0.00 C ATOM 0 H VAL A 33 3.239 2.410 5.560 1.00 0.00 H new ATOM 0 HA VAL A 33 2.475 3.350 2.857 1.00 0.00 H new ATOM 0 HB VAL A 33 1.342 3.801 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.519 4.927 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.025 5.784 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.367 4.780 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.564 2.479 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.319 2.192 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.947 1.539 4.778 1.00 0.00 H new ATOM 465 N ILE A 34 3.443 5.592 2.928 1.00 0.00 N ATOM 466 CA ILE A 34 4.167 6.851 2.887 1.00 0.00 C ATOM 467 C ILE A 34 3.169 8.005 2.784 1.00 0.00 C ATOM 468 O ILE A 34 3.459 9.121 3.213 1.00 0.00 O ATOM 469 CB ILE A 34 5.206 6.834 1.764 1.00 0.00 C ATOM 470 CG1 ILE A 34 5.056 5.584 0.895 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.623 6.974 2.325 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.953 5.664 -0.341 1.00 0.00 C ATOM 0 H ILE A 34 2.971 5.343 2.059 1.00 0.00 H new ATOM 0 HA ILE A 34 4.730 6.998 3.809 1.00 0.00 H new ATOM 0 HB ILE A 34 5.027 7.696 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.312 4.699 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.016 5.473 0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.342 6.959 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.709 7.917 2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.829 6.146 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.827 4.763 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.678 6.536 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.994 5.750 -0.030 1.00 0.00 H new ATOM 484 N ASN A 35 2.014 7.696 2.213 1.00 0.00 N ATOM 485 CA ASN A 35 0.970 8.695 2.049 1.00 0.00 C ATOM 486 C ASN A 35 -0.224 8.328 2.931 1.00 0.00 C ATOM 487 O ASN A 35 -1.133 7.625 2.491 1.00 0.00 O ATOM 488 CB ASN A 35 0.487 8.753 0.599 1.00 0.00 C ATOM 489 CG ASN A 35 -0.133 10.115 0.282 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.683 10.790 1.137 1.00 0.00 O ATOM 491 ND2 ASN A 35 -0.015 10.480 -0.992 1.00 0.00 N ATOM 0 H ASN A 35 1.778 6.769 1.858 1.00 0.00 H new ATOM 0 HA ASN A 35 1.383 9.664 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.323 8.564 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.247 7.966 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.397 11.373 -1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.458 9.867 -1.656 1.00 0.00 H new ATOM 498 N PRO A 36 -0.185 8.834 4.193 1.00 0.00 N ATOM 499 CA PRO A 36 -1.253 8.567 5.141 1.00 0.00 C ATOM 500 C PRO A 36 -2.498 9.393 4.812 1.00 0.00 C ATOM 501 O PRO A 36 -3.278 9.728 5.701 1.00 0.00 O ATOM 502 CB PRO A 36 -0.663 8.899 6.502 1.00 0.00 C ATOM 503 CG PRO A 36 0.548 9.776 6.229 1.00 0.00 C ATOM 504 CD PRO A 36 0.874 9.671 4.749 1.00 0.00 C ATOM 0 HA PRO A 36 -1.593 7.532 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.389 9.420 7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.376 7.992 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.340 10.811 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.397 9.453 6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.891 10.653 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.856 9.224 4.591 1.00 0.00 H new ATOM 512 N ASP A 37 -2.645 9.698 3.530 1.00 0.00 N ATOM 513 CA ASP A 37 -3.781 10.479 3.072 1.00 0.00 C ATOM 514 C ASP A 37 -3.783 10.518 1.543 1.00 0.00 C ATOM 515 O ASP A 37 -4.179 11.518 0.945 1.00 0.00 O ATOM 516 CB ASP A 37 -3.701 11.919 3.583 1.00 0.00 C ATOM 517 CG ASP A 37 -4.858 12.822 3.151 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.013 12.454 3.459 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.563 13.862 2.522 1.00 0.00 O ATOM 0 H ASP A 37 -1.996 9.418 2.795 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.689 10.012 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.661 11.901 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.766 12.360 3.237 1.00 0.00 H new ATOM 524 N SER A 38 -3.339 9.418 0.953 1.00 0.00 N ATOM 525 CA SER A 38 -3.285 9.315 -0.495 1.00 0.00 C ATOM 526 C SER A 38 -4.635 9.708 -1.098 1.00 0.00 C ATOM 527 O SER A 38 -4.906 10.890 -1.304 1.00 0.00 O ATOM 528 CB SER A 38 -2.901 7.900 -0.932 1.00 0.00 C ATOM 529 OG SER A 38 -2.959 7.745 -2.348 1.00 0.00 O ATOM 0 H SER A 38 -3.013 8.590 1.452 1.00 0.00 H new ATOM 0 HA SER A 38 -2.519 10.000 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.893 7.674 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.571 7.181 -0.461 1.00 0.00 H new ATOM 0 HG SER A 38 -2.224 8.243 -2.762 1.00 0.00 H new ATOM 535 N ASP A 39 -5.446 8.695 -1.365 1.00 0.00 N ATOM 536 CA ASP A 39 -6.761 8.921 -1.941 1.00 0.00 C ATOM 537 C ASP A 39 -6.612 9.678 -3.262 1.00 0.00 C ATOM 538 O ASP A 39 -7.551 10.327 -3.718 1.00 0.00 O ATOM 539 CB ASP A 39 -7.633 9.764 -1.009 1.00 0.00 C ATOM 540 CG ASP A 39 -9.066 9.258 -0.832 1.00 0.00 C ATOM 541 OD1 ASP A 39 -9.264 8.037 -1.016 1.00 0.00 O ATOM 542 OD2 ASP A 39 -9.931 10.103 -0.515 1.00 0.00 O ATOM 0 H ASP A 39 -5.218 7.716 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.232 7.950 -2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.156 9.808 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.668 10.784 -1.392 1.00 0.00 H new ATOM 547 N LEU A 40 -5.423 9.570 -3.839 1.00 0.00 N ATOM 548 CA LEU A 40 -5.139 10.237 -5.097 1.00 0.00 C ATOM 549 C LEU A 40 -5.381 9.262 -6.252 1.00 0.00 C ATOM 550 O LEU A 40 -4.840 9.438 -7.342 1.00 0.00 O ATOM 551 CB LEU A 40 -3.730 10.833 -5.081 1.00 0.00 C ATOM 552 CG LEU A 40 -2.576 9.829 -5.048 1.00 0.00 C ATOM 553 CD1 LEU A 40 -1.989 9.622 -6.445 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.511 10.252 -4.034 1.00 0.00 C ATOM 0 H LEU A 40 -4.646 9.030 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.815 11.079 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.613 11.462 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.643 11.485 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.969 8.867 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.171 8.904 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.763 9.243 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.615 10.572 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.702 9.522 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.116 11.230 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.956 10.306 -3.040 1.00 0.00 H new ATOM 566 N ASP A 41 -6.194 8.254 -5.972 1.00 0.00 N ATOM 567 CA ASP A 41 -6.515 7.251 -6.974 1.00 0.00 C ATOM 568 C ASP A 41 -5.456 6.147 -6.940 1.00 0.00 C ATOM 569 O ASP A 41 -5.773 4.971 -7.118 1.00 0.00 O ATOM 570 CB ASP A 41 -6.520 7.858 -8.379 1.00 0.00 C ATOM 571 CG ASP A 41 -7.375 7.108 -9.402 1.00 0.00 C ATOM 572 OD1 ASP A 41 -6.870 6.094 -9.930 1.00 0.00 O ATOM 573 OD2 ASP A 41 -8.514 7.568 -9.635 1.00 0.00 O ATOM 0 H ASP A 41 -6.640 8.110 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.505 6.854 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.876 8.886 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.494 7.899 -8.745 1.00 0.00 H new ATOM 578 N CYS A 42 -4.220 6.563 -6.710 1.00 0.00 N ATOM 579 CA CYS A 42 -3.113 5.624 -6.650 1.00 0.00 C ATOM 580 C CYS A 42 -3.573 4.389 -5.874 1.00 0.00 C ATOM 581 O CYS A 42 -3.178 3.268 -6.192 1.00 0.00 O ATOM 582 CB CYS A 42 -1.866 6.257 -6.028 1.00 0.00 C ATOM 583 SG CYS A 42 -0.389 6.265 -7.109 1.00 0.00 S ATOM 0 H CYS A 42 -3.960 7.538 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.826 5.332 -7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.099 7.284 -5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.624 5.722 -5.110 1.00 0.00 H new ATOM 588 N VAL A 43 -4.400 4.635 -4.869 1.00 0.00 N ATOM 589 CA VAL A 43 -4.918 3.556 -4.045 1.00 0.00 C ATOM 590 C VAL A 43 -5.883 2.705 -4.872 1.00 0.00 C ATOM 591 O VAL A 43 -5.784 1.479 -4.881 1.00 0.00 O ATOM 592 CB VAL A 43 -5.560 4.126 -2.779 1.00 0.00 C ATOM 593 CG1 VAL A 43 -5.616 3.074 -1.670 1.00 0.00 C ATOM 594 CG2 VAL A 43 -4.822 5.381 -2.307 1.00 0.00 C ATOM 0 H VAL A 43 -4.724 5.566 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.108 2.904 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.584 4.410 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.077 3.506 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.206 2.221 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.605 2.744 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.299 5.766 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.783 5.132 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.858 6.140 -3.089 1.00 0.00 H new ATOM 604 N GLU A 44 -6.793 3.389 -5.549 1.00 0.00 N ATOM 605 CA GLU A 44 -7.775 2.710 -6.378 1.00 0.00 C ATOM 606 C GLU A 44 -7.076 1.851 -7.434 1.00 0.00 C ATOM 607 O GLU A 44 -7.620 0.842 -7.878 1.00 0.00 O ATOM 608 CB GLU A 44 -8.728 3.714 -7.032 1.00 0.00 C ATOM 609 CG GLU A 44 -8.240 4.103 -8.429 1.00 0.00 C ATOM 610 CD GLU A 44 -8.896 3.231 -9.502 1.00 0.00 C ATOM 611 OE1 GLU A 44 -9.206 2.064 -9.174 1.00 0.00 O ATOM 612 OE2 GLU A 44 -9.074 3.749 -10.625 1.00 0.00 O ATOM 0 H GLU A 44 -6.871 4.406 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.369 2.055 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.727 3.283 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.807 4.605 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.468 5.152 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.156 3.997 -8.482 1.00 0.00 H new ATOM 619 N GLU A 45 -5.880 2.284 -7.805 1.00 0.00 N ATOM 620 CA GLU A 45 -5.100 1.567 -8.799 1.00 0.00 C ATOM 621 C GLU A 45 -4.068 0.666 -8.117 1.00 0.00 C ATOM 622 O GLU A 45 -3.496 -0.219 -8.751 1.00 0.00 O ATOM 623 CB GLU A 45 -4.423 2.537 -9.771 1.00 0.00 C ATOM 624 CG GLU A 45 -3.579 3.566 -9.017 1.00 0.00 C ATOM 625 CD GLU A 45 -2.776 4.433 -9.989 1.00 0.00 C ATOM 626 OE1 GLU A 45 -2.116 3.838 -10.869 1.00 0.00 O ATOM 627 OE2 GLU A 45 -2.840 5.671 -9.830 1.00 0.00 O ATOM 0 H GLU A 45 -5.432 3.122 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.777 0.938 -9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.792 1.981 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.179 3.048 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.227 4.198 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.901 3.055 -8.334 1.00 0.00 H new ATOM 634 N ALA A 46 -3.863 0.922 -6.834 1.00 0.00 N ATOM 635 CA ALA A 46 -2.910 0.146 -6.058 1.00 0.00 C ATOM 636 C ALA A 46 -3.640 -1.011 -5.374 1.00 0.00 C ATOM 637 O ALA A 46 -3.022 -2.012 -5.013 1.00 0.00 O ATOM 638 CB ALA A 46 -2.200 1.061 -5.059 1.00 0.00 C ATOM 0 H ALA A 46 -4.341 1.656 -6.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.146 -0.283 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.485 0.479 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.673 1.849 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.935 1.508 -4.389 1.00 0.00 H new ATOM 644 N ILE A 47 -4.943 -0.836 -5.215 1.00 0.00 N ATOM 645 CA ILE A 47 -5.763 -1.854 -4.580 1.00 0.00 C ATOM 646 C ILE A 47 -6.244 -2.849 -5.639 1.00 0.00 C ATOM 647 O ILE A 47 -6.266 -4.055 -5.396 1.00 0.00 O ATOM 648 CB ILE A 47 -6.899 -1.206 -3.785 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.365 -0.518 -2.528 1.00 0.00 C ATOM 650 CG2 ILE A 47 -7.991 -2.227 -3.460 1.00 0.00 C ATOM 651 CD1 ILE A 47 -7.249 0.668 -2.134 1.00 0.00 C ATOM 0 H ILE A 47 -5.452 -0.004 -5.515 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.177 -2.418 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.354 -0.434 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.324 -1.234 -1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.346 -0.174 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.787 -1.741 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.399 -2.631 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.567 -3.037 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.847 1.139 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.269 1.393 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.262 0.317 -1.936 1.00 0.00 H new ATOM 663 N ASP A 48 -6.616 -2.308 -6.789 1.00 0.00 N ATOM 664 CA ASP A 48 -7.094 -3.134 -7.885 1.00 0.00 C ATOM 665 C ASP A 48 -5.971 -4.067 -8.342 1.00 0.00 C ATOM 666 O ASP A 48 -6.232 -5.142 -8.878 1.00 0.00 O ATOM 667 CB ASP A 48 -7.510 -2.276 -9.081 1.00 0.00 C ATOM 668 CG ASP A 48 -8.860 -2.643 -9.701 1.00 0.00 C ATOM 669 OD1 ASP A 48 -9.885 -2.281 -9.086 1.00 0.00 O ATOM 670 OD2 ASP A 48 -8.835 -3.278 -10.778 1.00 0.00 O ATOM 0 H ASP A 48 -6.596 -1.307 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.955 -3.700 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.543 -1.233 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.741 -2.353 -9.850 1.00 0.00 H new ATOM 675 N SER A 49 -4.744 -3.622 -8.112 1.00 0.00 N ATOM 676 CA SER A 49 -3.581 -4.405 -8.493 1.00 0.00 C ATOM 677 C SER A 49 -3.215 -5.381 -7.373 1.00 0.00 C ATOM 678 O SER A 49 -2.453 -6.321 -7.587 1.00 0.00 O ATOM 679 CB SER A 49 -2.390 -3.498 -8.816 1.00 0.00 C ATOM 680 OG SER A 49 -2.229 -3.310 -10.220 1.00 0.00 O ATOM 0 H SER A 49 -4.530 -2.730 -7.667 1.00 0.00 H new ATOM 0 HA SER A 49 -3.829 -4.971 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.530 -2.530 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.480 -3.932 -8.401 1.00 0.00 H new ATOM 0 HG SER A 49 -1.461 -2.725 -10.386 1.00 0.00 H new ATOM 686 N CYS A 50 -3.778 -5.123 -6.202 1.00 0.00 N ATOM 687 CA CYS A 50 -3.522 -5.968 -5.047 1.00 0.00 C ATOM 688 C CYS A 50 -4.488 -7.154 -5.095 1.00 0.00 C ATOM 689 O CYS A 50 -5.697 -6.980 -4.955 1.00 0.00 O ATOM 690 CB CYS A 50 -3.643 -5.187 -3.737 1.00 0.00 C ATOM 691 SG CYS A 50 -3.518 -6.207 -2.220 1.00 0.00 S ATOM 0 H CYS A 50 -4.410 -4.342 -6.028 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.496 -6.335 -5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.864 -4.425 -3.711 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.600 -4.665 -3.729 1.00 0.00 H new ATOM 696 N PRO A 51 -3.902 -8.364 -5.300 1.00 0.00 N ATOM 697 CA PRO A 51 -4.697 -9.578 -5.368 1.00 0.00 C ATOM 698 C PRO A 51 -5.170 -10.004 -3.977 1.00 0.00 C ATOM 699 O PRO A 51 -6.253 -10.569 -3.831 1.00 0.00 O ATOM 700 CB PRO A 51 -3.791 -10.605 -6.027 1.00 0.00 C ATOM 701 CG PRO A 51 -2.376 -10.068 -5.881 1.00 0.00 C ATOM 702 CD PRO A 51 -2.473 -8.607 -5.471 1.00 0.00 C ATOM 0 HA PRO A 51 -5.614 -9.448 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -3.891 -11.579 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.051 -10.739 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.826 -10.639 -5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.832 -10.166 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.926 -8.418 -4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.048 -7.953 -6.233 1.00 0.00 H new ATOM 710 N ALA A 52 -4.334 -9.716 -2.989 1.00 0.00 N ATOM 711 CA ALA A 52 -4.653 -10.062 -1.615 1.00 0.00 C ATOM 712 C ALA A 52 -5.590 -9.001 -1.031 1.00 0.00 C ATOM 713 O ALA A 52 -6.091 -9.155 0.082 1.00 0.00 O ATOM 714 CB ALA A 52 -3.359 -10.203 -0.811 1.00 0.00 C ATOM 0 H ALA A 52 -3.437 -9.247 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.171 -11.020 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.598 -10.463 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.742 -10.988 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.814 -9.259 -0.831 1.00 0.00 H new ATOM 720 N GLU A 53 -5.798 -7.949 -1.809 1.00 0.00 N ATOM 721 CA GLU A 53 -6.664 -6.863 -1.383 1.00 0.00 C ATOM 722 C GLU A 53 -6.557 -6.660 0.130 1.00 0.00 C ATOM 723 O GLU A 53 -7.569 -6.518 0.815 1.00 0.00 O ATOM 724 CB GLU A 53 -8.114 -7.125 -1.798 1.00 0.00 C ATOM 725 CG GLU A 53 -8.670 -8.367 -1.099 1.00 0.00 C ATOM 726 CD GLU A 53 -10.180 -8.244 -0.885 1.00 0.00 C ATOM 727 OE1 GLU A 53 -10.575 -7.323 -0.138 1.00 0.00 O ATOM 728 OE2 GLU A 53 -10.906 -9.076 -1.473 1.00 0.00 O ATOM 0 H GLU A 53 -5.382 -7.826 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.337 -5.948 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.728 -6.259 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.168 -7.257 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.454 -9.253 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.172 -8.502 -0.139 1.00 0.00 H new ATOM 735 N ALA A 54 -5.321 -6.653 0.607 1.00 0.00 N ATOM 736 CA ALA A 54 -5.067 -6.470 2.027 1.00 0.00 C ATOM 737 C ALA A 54 -5.044 -4.974 2.346 1.00 0.00 C ATOM 738 O ALA A 54 -5.223 -4.579 3.498 1.00 0.00 O ATOM 739 CB ALA A 54 -3.760 -7.167 2.406 1.00 0.00 C ATOM 0 H ALA A 54 -4.484 -6.771 0.036 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.861 -6.922 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.570 -7.030 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.838 -8.232 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.939 -6.737 1.832 1.00 0.00 H new ATOM 745 N ILE A 55 -4.824 -4.182 1.308 1.00 0.00 N ATOM 746 CA ILE A 55 -4.775 -2.738 1.464 1.00 0.00 C ATOM 747 C ILE A 55 -6.171 -2.157 1.229 1.00 0.00 C ATOM 748 O ILE A 55 -6.815 -2.466 0.227 1.00 0.00 O ATOM 749 CB ILE A 55 -3.698 -2.137 0.559 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.692 -2.816 -0.812 1.00 0.00 C ATOM 751 CG2 ILE A 55 -2.325 -2.190 1.231 1.00 0.00 C ATOM 752 CD1 ILE A 55 -3.108 -1.890 -1.881 1.00 0.00 C ATOM 0 H ILE A 55 -4.677 -4.513 0.354 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.486 -2.474 2.481 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.936 -1.086 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.108 -3.735 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.708 -3.098 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.578 -1.757 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.354 -1.625 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.064 -3.227 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.116 -2.398 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.708 -0.982 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.083 -1.629 -1.616 1.00 0.00 H new ATOM 764 N VAL A 56 -6.597 -1.325 2.168 1.00 0.00 N ATOM 765 CA VAL A 56 -7.905 -0.698 2.075 1.00 0.00 C ATOM 766 C VAL A 56 -7.819 0.732 2.613 1.00 0.00 C ATOM 767 O VAL A 56 -6.736 1.207 2.953 1.00 0.00 O ATOM 768 CB VAL A 56 -8.946 -1.549 2.804 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.358 -2.755 1.956 1.00 0.00 C ATOM 770 CG2 VAL A 56 -8.431 -1.992 4.175 1.00 0.00 C ATOM 0 H VAL A 56 -6.060 -1.070 2.997 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.226 -0.636 1.035 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.831 -0.933 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.099 -3.344 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.786 -2.409 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.483 -3.372 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.191 -2.595 4.672 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.524 -2.583 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.211 -1.114 4.782 1.00 0.00 H new ATOM 780 N ARG A 57 -8.974 1.378 2.672 1.00 0.00 N ATOM 781 CA ARG A 57 -9.043 2.743 3.163 1.00 0.00 C ATOM 782 C ARG A 57 -10.054 2.846 4.307 1.00 0.00 C ATOM 783 O ARG A 57 -10.852 3.781 4.354 1.00 0.00 O ATOM 784 CB ARG A 57 -9.447 3.710 2.048 1.00 0.00 C ATOM 785 CG ARG A 57 -10.734 3.249 1.361 1.00 0.00 C ATOM 786 CD ARG A 57 -11.255 4.317 0.399 1.00 0.00 C ATOM 787 NE ARG A 57 -11.931 5.395 1.157 1.00 0.00 N ATOM 788 CZ ARG A 57 -13.159 5.277 1.706 1.00 0.00 C ATOM 789 NH1 ARG A 57 -13.857 4.128 1.586 1.00 0.00 N ATOM 790 NH2 ARG A 57 -13.667 6.305 2.362 1.00 0.00 N ATOM 0 H ARG A 57 -9.870 0.981 2.388 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.051 3.015 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.589 4.708 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.644 3.780 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.548 2.323 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.493 3.030 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.429 4.731 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.950 3.870 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.439 6.281 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.458 3.339 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.784 4.048 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.133 7.170 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.593 6.234 2.783 1.00 0.00 H new ATOM 804 N SER A 58 -9.987 1.872 5.202 1.00 0.00 N ATOM 805 CA SER A 58 -10.886 1.841 6.343 1.00 0.00 C ATOM 806 C SER A 58 -11.113 3.259 6.870 1.00 0.00 C ATOM 807 O SER A 58 -12.252 3.704 6.993 1.00 0.00 O ATOM 808 CB SER A 58 -10.335 0.944 7.454 1.00 0.00 C ATOM 809 OG SER A 58 -10.912 -0.360 7.423 1.00 0.00 O ATOM 810 OXT SER A 58 -10.159 3.958 7.172 1.00 1.00 O ATOM 0 H SER A 58 -9.324 1.098 5.160 1.00 0.00 H new ATOM 0 HA SER A 58 -11.839 1.425 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.253 0.864 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.531 1.404 8.422 1.00 0.00 H new ATOM 0 HG SER A 58 -10.207 -1.032 7.532 1.00 0.00 H new TER 816 SER A 58 HETATM 817 FE1 F3S A 59 0.734 -6.349 0.487 1.00 0.00 FE HETATM 818 FE3 F3S A 59 -1.308 -6.116 -1.593 1.00 0.00 FE HETATM 819 FE4 F3S A 59 0.895 -4.205 -1.450 1.00 0.00 FE HETATM 820 S1 F3S A 59 -0.227 -7.959 -0.846 1.00 0.00 S HETATM 821 S2 F3S A 59 2.542 -5.581 -0.622 1.00 0.00 S HETATM 822 S3 F3S A 59 -0.675 -4.548 0.251 1.00 0.00 S HETATM 823 S4 F3S A 59 0.111 -5.338 -3.228 1.00 0.00 S