USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 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 13 GLN : amide:sc= -0.619 K(o=-0.32,f=-3) USER MOD Set 1.2: A 14 SER OG : rot -7:sc= 0.295 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.512 (180deg=-0.619) USER MOD Single : A 1 MET N :NH3+ -124:sc= 1.77 (180deg=0.409) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.178 K(o=-0.18,f=-5!) USER MOD Single : A 9 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.21) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -107:sc= -0.755 (180deg=-1.76!) USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.57 USER MOD Single : A 26 CYS SG : rot 23:sc= -0.899! USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.017) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.09 USER MOD Single : A 51 THR OG1 : rot 85:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.378 10.603 -0.136 1.00 0.00 N ATOM 2 CA MET A 1 6.947 10.192 -1.439 1.00 0.00 C ATOM 3 C MET A 1 5.835 9.961 -2.470 1.00 0.00 C ATOM 4 O MET A 1 4.673 9.770 -2.107 1.00 0.00 O ATOM 5 CB MET A 1 7.799 8.903 -1.271 1.00 0.00 C ATOM 6 CG MET A 1 7.003 7.633 -0.901 1.00 0.00 C ATOM 7 SD MET A 1 6.232 7.721 0.734 1.00 0.00 S ATOM 8 CE MET A 1 7.679 7.720 1.790 1.00 0.00 C ATOM 0 H1 MET A 1 6.797 11.509 0.155 1.00 0.00 H new ATOM 0 H2 MET A 1 5.347 10.710 -0.226 1.00 0.00 H new ATOM 0 H3 MET A 1 6.590 9.878 0.579 1.00 0.00 H new ATOM 0 HA MET A 1 7.589 10.995 -1.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.336 8.718 -2.201 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.549 9.080 -0.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.230 7.466 -1.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.670 6.772 -0.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.653 6.847 2.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.578 7.687 1.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.687 8.626 2.397 1.00 0.00 H new ATOM 20 N LEU A 2 6.211 9.968 -3.756 1.00 0.00 N ATOM 21 CA LEU A 2 5.321 9.617 -4.863 1.00 0.00 C ATOM 22 C LEU A 2 5.422 8.098 -5.106 1.00 0.00 C ATOM 23 O LEU A 2 6.520 7.572 -5.237 1.00 0.00 O ATOM 24 CB LEU A 2 5.715 10.406 -6.143 1.00 0.00 C ATOM 25 CG LEU A 2 4.801 10.184 -7.389 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.339 10.549 -7.082 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.323 10.972 -8.605 1.00 0.00 C ATOM 0 H LEU A 2 7.152 10.221 -4.057 1.00 0.00 H new ATOM 0 HA LEU A 2 4.293 9.881 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.719 11.469 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.736 10.136 -6.413 1.00 0.00 H new ATOM 0 HG LEU A 2 4.832 9.123 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.729 10.383 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.972 9.925 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.279 11.598 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.668 10.799 -9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.339 12.036 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.332 10.639 -8.849 1.00 0.00 H new ATOM 39 N VAL A 3 4.270 7.420 -5.141 1.00 0.00 N ATOM 40 CA VAL A 3 4.161 5.951 -5.342 1.00 0.00 C ATOM 41 C VAL A 3 2.967 5.651 -6.258 1.00 0.00 C ATOM 42 O VAL A 3 2.056 6.469 -6.378 1.00 0.00 O ATOM 43 CB VAL A 3 3.994 5.173 -3.974 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.314 5.130 -3.183 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.863 5.785 -3.113 1.00 0.00 C ATOM 0 H VAL A 3 3.364 7.875 -5.029 1.00 0.00 H new ATOM 0 HA VAL A 3 5.087 5.607 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 3 3.717 4.148 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.161 4.588 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.077 4.625 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.640 6.147 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.774 5.228 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.096 6.827 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.921 5.732 -3.659 1.00 0.00 H new ATOM 55 N THR A 4 2.977 4.475 -6.898 1.00 0.00 N ATOM 56 CA THR A 4 1.910 4.065 -7.813 1.00 0.00 C ATOM 57 C THR A 4 0.852 3.263 -7.028 1.00 0.00 C ATOM 58 O THR A 4 1.037 2.076 -6.773 1.00 0.00 O ATOM 59 CB THR A 4 2.508 3.218 -8.992 1.00 0.00 C ATOM 60 OG1 THR A 4 3.624 3.913 -9.571 1.00 0.00 O ATOM 61 CG2 THR A 4 1.464 2.945 -10.087 1.00 0.00 C ATOM 0 H THR A 4 3.722 3.786 -6.796 1.00 0.00 H new ATOM 0 HA THR A 4 1.432 4.944 -8.245 1.00 0.00 H new ATOM 0 HB THR A 4 2.828 2.261 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.996 3.381 -10.305 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.918 2.356 -10.884 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.626 2.394 -9.661 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.107 3.891 -10.493 1.00 0.00 H new ATOM 69 N ILE A 5 -0.254 3.925 -6.634 1.00 0.00 N ATOM 70 CA ILE A 5 -1.316 3.299 -5.827 1.00 0.00 C ATOM 71 C ILE A 5 -2.541 3.045 -6.711 1.00 0.00 C ATOM 72 O ILE A 5 -3.070 3.985 -7.289 1.00 0.00 O ATOM 73 CB ILE A 5 -1.699 4.155 -4.561 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.465 4.298 -3.624 1.00 0.00 C ATOM 75 CG2 ILE A 5 -2.905 3.545 -3.794 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.706 5.094 -2.352 1.00 0.00 C ATOM 0 H ILE A 5 -0.434 4.902 -6.865 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.935 2.351 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.004 5.144 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.120 3.301 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.342 4.772 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.137 4.165 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.772 3.503 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.653 2.538 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.214 5.135 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.018 6.106 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.487 4.612 -1.764 1.00 0.00 H new ATOM 88 N ASN A 6 -2.951 1.756 -6.827 1.00 0.00 N ATOM 89 CA ASN A 6 -4.076 1.299 -7.688 1.00 0.00 C ATOM 90 C ASN A 6 -3.791 1.541 -9.187 1.00 0.00 C ATOM 91 O ASN A 6 -4.719 1.550 -10.005 1.00 0.00 O ATOM 92 CB ASN A 6 -5.413 1.984 -7.269 1.00 0.00 C ATOM 93 CG ASN A 6 -5.919 1.558 -5.895 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.540 2.120 -4.869 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.787 0.575 -5.862 1.00 0.00 N ATOM 0 H ASN A 6 -2.504 0.993 -6.319 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.175 0.223 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.274 3.065 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.176 1.756 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.165 0.259 -4.969 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.084 0.127 -6.729 1.00 0.00 H new ATOM 102 N GLY A 7 -2.501 1.683 -9.547 1.00 0.00 N ATOM 103 CA GLY A 7 -2.096 1.955 -10.934 1.00 0.00 C ATOM 104 C GLY A 7 -2.012 3.449 -11.282 1.00 0.00 C ATOM 105 O GLY A 7 -1.674 3.794 -12.415 1.00 0.00 O ATOM 0 H GLY A 7 -1.722 1.613 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.124 1.496 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.805 1.475 -11.609 1.00 0.00 H new ATOM 109 N GLU A 8 -2.299 4.340 -10.307 1.00 0.00 N ATOM 110 CA GLU A 8 -2.218 5.810 -10.507 1.00 0.00 C ATOM 111 C GLU A 8 -1.122 6.400 -9.616 1.00 0.00 C ATOM 112 O GLU A 8 -0.703 5.774 -8.643 1.00 0.00 O ATOM 113 CB GLU A 8 -3.579 6.504 -10.216 1.00 0.00 C ATOM 114 CG GLU A 8 -4.052 6.414 -8.757 1.00 0.00 C ATOM 115 CD GLU A 8 -5.300 7.250 -8.455 1.00 0.00 C ATOM 116 OE1 GLU A 8 -5.216 8.487 -8.543 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.360 6.685 -8.092 1.00 0.00 O ATOM 0 H GLU A 8 -2.590 4.068 -9.368 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.971 5.992 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.501 7.555 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.341 6.061 -10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.259 5.371 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.243 6.738 -8.103 1.00 0.00 H new ATOM 124 N GLN A 9 -0.660 7.611 -9.948 1.00 0.00 N ATOM 125 CA GLN A 9 0.374 8.308 -9.174 1.00 0.00 C ATOM 126 C GLN A 9 -0.291 8.991 -7.965 1.00 0.00 C ATOM 127 O GLN A 9 -1.171 9.840 -8.132 1.00 0.00 O ATOM 128 CB GLN A 9 1.131 9.366 -10.033 1.00 0.00 C ATOM 129 CG GLN A 9 1.988 8.801 -11.188 1.00 0.00 C ATOM 130 CD GLN A 9 1.191 8.158 -12.334 1.00 0.00 C ATOM 131 OE1 GLN A 9 1.655 7.218 -12.979 1.00 0.00 O ATOM 132 NE2 GLN A 9 0.000 8.672 -12.621 1.00 0.00 N ATOM 0 H GLN A 9 -0.991 8.134 -10.758 1.00 0.00 H new ATOM 0 HA GLN A 9 1.110 7.576 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.400 10.058 -10.452 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.778 9.946 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.597 9.607 -11.597 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.674 8.058 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.365 9.451 -12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.550 8.288 -13.389 1.00 0.00 H new ATOM 141 N ARG A 10 0.125 8.585 -6.765 1.00 0.00 N ATOM 142 CA ARG A 10 -0.355 9.130 -5.482 1.00 0.00 C ATOM 143 C ARG A 10 0.839 9.552 -4.625 1.00 0.00 C ATOM 144 O ARG A 10 1.748 8.759 -4.381 1.00 0.00 O ATOM 145 CB ARG A 10 -1.197 8.074 -4.716 1.00 0.00 C ATOM 146 CG ARG A 10 -2.596 7.812 -5.308 1.00 0.00 C ATOM 147 CD ARG A 10 -3.552 9.006 -5.153 1.00 0.00 C ATOM 148 NE ARG A 10 -4.941 8.657 -5.493 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.943 8.484 -4.611 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.733 8.641 -3.303 1.00 0.00 N ATOM 151 NH2 ARG A 10 -7.148 8.153 -5.042 1.00 0.00 N ATOM 0 H ARG A 10 0.822 7.850 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.986 9.995 -5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.645 7.135 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.310 8.400 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.496 7.570 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.032 6.940 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.512 9.370 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.217 9.822 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.163 8.536 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.806 8.895 -2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.500 8.507 -2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.316 8.029 -6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.909 8.021 -4.376 1.00 0.00 H new ATOM 165 N GLU A 11 0.828 10.810 -4.179 1.00 0.00 N ATOM 166 CA GLU A 11 1.859 11.347 -3.273 1.00 0.00 C ATOM 167 C GLU A 11 1.356 11.230 -1.826 1.00 0.00 C ATOM 168 O GLU A 11 0.367 11.862 -1.455 1.00 0.00 O ATOM 169 CB GLU A 11 2.208 12.815 -3.628 1.00 0.00 C ATOM 170 CG GLU A 11 3.261 13.450 -2.690 1.00 0.00 C ATOM 171 CD GLU A 11 3.575 14.911 -3.028 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.753 15.792 -2.710 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.629 15.185 -3.626 1.00 0.00 O ATOM 0 H GLU A 11 0.109 11.487 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 11 2.776 10.768 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.578 12.853 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.298 13.413 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.903 13.391 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.181 12.867 -2.741 1.00 0.00 H new ATOM 180 N VAL A 12 2.021 10.382 -1.031 1.00 0.00 N ATOM 181 CA VAL A 12 1.632 10.091 0.368 1.00 0.00 C ATOM 182 C VAL A 12 2.786 10.414 1.334 1.00 0.00 C ATOM 183 O VAL A 12 3.951 10.435 0.941 1.00 0.00 O ATOM 184 CB VAL A 12 1.200 8.583 0.519 1.00 0.00 C ATOM 185 CG1 VAL A 12 -0.033 8.277 -0.368 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.368 7.619 0.198 1.00 0.00 C ATOM 0 H VAL A 12 2.850 9.872 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 12 0.782 10.725 0.623 1.00 0.00 H new ATOM 0 HB VAL A 12 0.923 8.420 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.316 7.231 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.865 8.914 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.213 8.471 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.032 6.589 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.701 7.780 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.195 7.809 0.882 1.00 0.00 H new ATOM 196 N GLN A 13 2.440 10.647 2.603 1.00 0.00 N ATOM 197 CA GLN A 13 3.408 11.014 3.668 1.00 0.00 C ATOM 198 C GLN A 13 3.532 9.874 4.708 1.00 0.00 C ATOM 199 O GLN A 13 4.332 9.956 5.641 1.00 0.00 O ATOM 200 CB GLN A 13 2.960 12.342 4.360 1.00 0.00 C ATOM 201 CG GLN A 13 1.763 12.237 5.344 1.00 0.00 C ATOM 202 CD GLN A 13 0.467 11.694 4.728 1.00 0.00 C ATOM 203 OE1 GLN A 13 0.219 10.485 4.717 1.00 0.00 O ATOM 204 NE2 GLN A 13 -0.351 12.568 4.181 1.00 0.00 N ATOM 0 H GLN A 13 1.477 10.589 2.934 1.00 0.00 H new ATOM 0 HA GLN A 13 4.387 11.167 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.813 12.750 4.902 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.702 13.062 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.050 11.594 6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.565 13.225 5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.124 13.562 4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.212 12.251 3.735 1.00 0.00 H new ATOM 213 N SER A 14 2.736 8.813 4.501 1.00 0.00 N ATOM 214 CA SER A 14 2.500 7.739 5.477 1.00 0.00 C ATOM 215 C SER A 14 3.791 6.986 5.869 1.00 0.00 C ATOM 216 O SER A 14 4.010 6.719 7.057 1.00 0.00 O ATOM 217 CB SER A 14 1.467 6.775 4.879 1.00 0.00 C ATOM 218 OG SER A 14 0.315 7.473 4.411 1.00 0.00 O ATOM 0 H SER A 14 2.226 8.676 3.628 1.00 0.00 H new ATOM 0 HA SER A 14 2.128 8.183 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.918 6.221 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.171 6.044 5.631 1.00 0.00 H new ATOM 0 HG SER A 14 0.373 8.415 4.676 1.00 0.00 H new ATOM 224 N ALA A 15 4.618 6.651 4.845 1.00 0.00 N ATOM 225 CA ALA A 15 5.941 5.980 4.992 1.00 0.00 C ATOM 226 C ALA A 15 5.827 4.466 5.315 1.00 0.00 C ATOM 227 O ALA A 15 6.570 3.655 4.758 1.00 0.00 O ATOM 228 CB ALA A 15 6.849 6.707 6.001 1.00 0.00 C ATOM 0 H ALA A 15 4.380 6.843 3.872 1.00 0.00 H new ATOM 0 HA ALA A 15 6.416 6.048 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.802 6.183 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.022 7.729 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.366 6.724 6.978 1.00 0.00 H new ATOM 234 N SER A 16 4.914 4.089 6.225 1.00 0.00 N ATOM 235 CA SER A 16 4.584 2.677 6.500 1.00 0.00 C ATOM 236 C SER A 16 3.340 2.308 5.712 1.00 0.00 C ATOM 237 O SER A 16 2.467 3.159 5.506 1.00 0.00 O ATOM 238 CB SER A 16 4.326 2.457 8.008 1.00 0.00 C ATOM 239 OG SER A 16 4.015 1.100 8.302 1.00 0.00 O ATOM 0 H SER A 16 4.384 4.751 6.791 1.00 0.00 H new ATOM 0 HA SER A 16 5.423 2.048 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.207 2.758 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.505 3.096 8.333 1.00 0.00 H new ATOM 0 HG SER A 16 3.860 1.001 9.265 1.00 0.00 H new ATOM 245 N VAL A 17 3.269 1.044 5.263 1.00 0.00 N ATOM 246 CA VAL A 17 2.097 0.519 4.549 1.00 0.00 C ATOM 247 C VAL A 17 0.886 0.426 5.497 1.00 0.00 C ATOM 248 O VAL A 17 -0.243 0.624 5.066 1.00 0.00 O ATOM 249 CB VAL A 17 2.417 -0.865 3.860 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.149 -1.558 3.318 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.443 -0.667 2.723 1.00 0.00 C ATOM 0 H VAL A 17 4.018 0.362 5.384 1.00 0.00 H new ATOM 0 HA VAL A 17 1.840 1.215 3.751 1.00 0.00 H new ATOM 0 HB VAL A 17 2.839 -1.517 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.422 -2.506 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.456 -1.743 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.672 -0.916 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.657 -1.628 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.034 0.017 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.363 -0.250 3.132 1.00 0.00 H new ATOM 261 N ALA A 18 1.136 0.169 6.795 1.00 0.00 N ATOM 262 CA ALA A 18 0.079 0.184 7.830 1.00 0.00 C ATOM 263 C ALA A 18 -0.543 1.582 7.944 1.00 0.00 C ATOM 264 O ALA A 18 -1.765 1.737 7.869 1.00 0.00 O ATOM 265 CB ALA A 18 0.646 -0.271 9.180 1.00 0.00 C ATOM 0 H ALA A 18 2.064 -0.053 7.155 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.705 -0.514 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.144 -0.254 9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.037 -1.284 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.448 0.402 9.483 1.00 0.00 H new ATOM 271 N ALA A 19 0.338 2.589 8.073 1.00 0.00 N ATOM 272 CA ALA A 19 -0.052 4.007 8.120 1.00 0.00 C ATOM 273 C ALA A 19 -0.735 4.452 6.810 1.00 0.00 C ATOM 274 O ALA A 19 -1.612 5.310 6.830 1.00 0.00 O ATOM 275 CB ALA A 19 1.179 4.876 8.417 1.00 0.00 C ATOM 0 H ALA A 19 1.344 2.441 8.148 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.779 4.135 8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.884 5.925 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.605 4.588 9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.923 4.733 7.633 1.00 0.00 H new ATOM 281 N LEU A 20 -0.318 3.840 5.682 1.00 0.00 N ATOM 282 CA LEU A 20 -0.872 4.121 4.342 1.00 0.00 C ATOM 283 C LEU A 20 -2.320 3.632 4.222 1.00 0.00 C ATOM 284 O LEU A 20 -3.202 4.380 3.798 1.00 0.00 O ATOM 285 CB LEU A 20 0.012 3.457 3.254 1.00 0.00 C ATOM 286 CG LEU A 20 -0.425 3.694 1.777 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.402 5.191 1.432 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.445 2.875 0.805 1.00 0.00 C ATOM 0 H LEU A 20 0.417 3.133 5.676 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.873 5.201 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.033 3.821 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.033 2.383 3.437 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.452 3.347 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.711 5.330 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.086 5.727 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.608 5.580 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.119 3.059 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.488 3.172 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.344 1.814 1.033 1.00 0.00 H new ATOM 300 N MET A 21 -2.548 2.373 4.626 1.00 0.00 N ATOM 301 CA MET A 21 -3.869 1.731 4.565 1.00 0.00 C ATOM 302 C MET A 21 -4.830 2.387 5.575 1.00 0.00 C ATOM 303 O MET A 21 -6.038 2.293 5.427 1.00 0.00 O ATOM 304 CB MET A 21 -3.733 0.208 4.827 1.00 0.00 C ATOM 305 CG MET A 21 -2.830 -0.542 3.821 1.00 0.00 C ATOM 306 SD MET A 21 -3.526 -0.660 2.161 1.00 0.00 S ATOM 307 CE MET A 21 -4.816 -1.880 2.392 1.00 0.00 C ATOM 0 H MET A 21 -1.818 1.770 5.006 1.00 0.00 H new ATOM 0 HA MET A 21 -4.287 1.868 3.568 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.336 0.060 5.831 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.726 -0.240 4.807 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.866 -0.036 3.765 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.641 -1.547 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.514 -2.821 1.932 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.984 -2.035 3.458 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.737 -1.528 1.927 1.00 0.00 H new ATOM 317 N THR A 22 -4.285 3.038 6.615 1.00 0.00 N ATOM 318 CA THR A 22 -5.093 3.815 7.579 1.00 0.00 C ATOM 319 C THR A 22 -5.422 5.224 7.036 1.00 0.00 C ATOM 320 O THR A 22 -6.547 5.710 7.202 1.00 0.00 O ATOM 321 CB THR A 22 -4.379 3.917 8.958 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.117 2.592 9.442 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.216 4.669 10.011 1.00 0.00 C ATOM 0 H THR A 22 -3.284 3.044 6.813 1.00 0.00 H new ATOM 0 HA THR A 22 -6.032 3.280 7.718 1.00 0.00 H new ATOM 0 HB THR A 22 -3.458 4.480 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.353 2.213 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.667 4.708 10.952 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.413 5.683 9.663 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.161 4.148 10.164 1.00 0.00 H new ATOM 331 N GLU A 23 -4.436 5.848 6.361 1.00 0.00 N ATOM 332 CA GLU A 23 -4.579 7.193 5.752 1.00 0.00 C ATOM 333 C GLU A 23 -5.649 7.165 4.639 1.00 0.00 C ATOM 334 O GLU A 23 -6.484 8.068 4.541 1.00 0.00 O ATOM 335 CB GLU A 23 -3.211 7.672 5.178 1.00 0.00 C ATOM 336 CG GLU A 23 -3.239 9.026 4.418 1.00 0.00 C ATOM 337 CD GLU A 23 -3.564 10.249 5.303 1.00 0.00 C ATOM 338 OE1 GLU A 23 -4.753 10.518 5.569 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.633 10.960 5.728 1.00 0.00 O ATOM 0 H GLU A 23 -3.514 5.435 6.220 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.898 7.895 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.500 7.752 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.832 6.905 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.270 9.183 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.978 8.965 3.619 1.00 0.00 H new ATOM 346 N LEU A 24 -5.603 6.096 3.827 1.00 0.00 N ATOM 347 CA LEU A 24 -6.547 5.861 2.721 1.00 0.00 C ATOM 348 C LEU A 24 -7.797 5.095 3.200 1.00 0.00 C ATOM 349 O LEU A 24 -8.673 4.788 2.389 1.00 0.00 O ATOM 350 CB LEU A 24 -5.820 5.079 1.598 1.00 0.00 C ATOM 351 CG LEU A 24 -4.625 5.824 0.919 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.846 4.879 -0.014 1.00 0.00 C ATOM 353 CD2 LEU A 24 -5.107 7.079 0.164 1.00 0.00 C ATOM 0 H LEU A 24 -4.901 5.362 3.921 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.889 6.822 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.451 4.141 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.548 4.822 0.829 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.946 6.153 1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.020 5.421 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.454 4.041 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.512 4.505 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.254 7.576 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.819 6.788 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.590 7.762 0.864 1.00 0.00 H new ATOM 365 N ASP A 25 -7.824 4.771 4.515 1.00 0.00 N ATOM 366 CA ASP A 25 -8.980 4.158 5.219 1.00 0.00 C ATOM 367 C ASP A 25 -9.311 2.740 4.689 1.00 0.00 C ATOM 368 O ASP A 25 -10.371 2.181 4.961 1.00 0.00 O ATOM 369 CB ASP A 25 -10.202 5.120 5.174 1.00 0.00 C ATOM 370 CG ASP A 25 -11.383 4.691 6.066 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.165 4.457 7.272 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.523 4.593 5.571 1.00 0.00 O ATOM 0 H ASP A 25 -7.027 4.931 5.130 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.707 4.015 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.877 6.115 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.550 5.198 4.144 1.00 0.00 H new ATOM 377 N CYS A 26 -8.322 2.115 4.044 1.00 0.00 N ATOM 378 CA CYS A 26 -8.443 0.782 3.431 1.00 0.00 C ATOM 379 C CYS A 26 -8.236 -0.354 4.470 1.00 0.00 C ATOM 380 O CYS A 26 -7.927 -1.495 4.117 1.00 0.00 O ATOM 381 CB CYS A 26 -7.411 0.689 2.292 1.00 0.00 C ATOM 382 SG CYS A 26 -7.533 2.034 1.094 1.00 0.00 S ATOM 0 H CYS A 26 -7.396 2.526 3.929 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.451 0.653 3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.409 0.685 2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.539 -0.261 1.773 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.113 3.057 1.648 1.00 0.00 H new ATOM 439 N TYR A 31 -9.356 -4.392 3.264 1.00 0.00 N ATOM 440 CA TYR A 31 -8.661 -4.356 1.970 1.00 0.00 C ATOM 441 C TYR A 31 -7.259 -4.899 2.170 1.00 0.00 C ATOM 442 O TYR A 31 -6.711 -4.821 3.268 1.00 0.00 O ATOM 443 CB TYR A 31 -8.582 -2.920 1.395 1.00 0.00 C ATOM 444 CG TYR A 31 -9.942 -2.273 1.110 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.729 -1.776 2.143 1.00 0.00 C ATOM 446 CD2 TYR A 31 -10.432 -2.160 -0.193 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.945 -1.188 1.894 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.656 -1.572 -0.444 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.410 -1.093 0.603 1.00 0.00 C ATOM 450 OH TYR A 31 -13.626 -0.490 0.361 1.00 0.00 O ATOM 0 HA TYR A 31 -9.220 -4.962 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.035 -2.291 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.004 -2.944 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.377 -1.854 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.845 -2.538 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.536 -0.801 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.020 -1.488 -1.457 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.811 -0.502 -0.601 1.00 0.00 H new ATOM 460 N ALA A 32 -6.691 -5.438 1.112 1.00 0.00 N ATOM 461 CA ALA A 32 -5.322 -5.916 1.104 1.00 0.00 C ATOM 462 C ALA A 32 -4.503 -4.978 0.234 1.00 0.00 C ATOM 463 O ALA A 32 -5.029 -4.325 -0.677 1.00 0.00 O ATOM 464 CB ALA A 32 -5.257 -7.353 0.571 1.00 0.00 C ATOM 0 H ALA A 32 -7.172 -5.559 0.221 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.920 -5.928 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.222 -7.695 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.855 -8.005 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.647 -7.382 -0.446 1.00 0.00 H new ATOM 470 N VAL A 33 -3.226 -4.913 0.535 1.00 0.00 N ATOM 471 CA VAL A 33 -2.250 -4.158 -0.238 1.00 0.00 C ATOM 472 C VAL A 33 -1.431 -5.171 -1.032 1.00 0.00 C ATOM 473 O VAL A 33 -1.232 -6.296 -0.578 1.00 0.00 O ATOM 474 CB VAL A 33 -1.314 -3.317 0.702 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.532 -4.228 1.668 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.358 -2.408 -0.104 1.00 0.00 C ATOM 0 H VAL A 33 -2.822 -5.392 1.340 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.753 -3.454 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.954 -2.666 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.107 -3.618 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.233 -4.789 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.083 -4.922 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.272 -1.843 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.269 -3.022 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.940 -1.717 -0.713 1.00 0.00 H new ATOM 486 N ALA A 34 -1.016 -4.797 -2.224 1.00 0.00 N ATOM 487 CA ALA A 34 -0.175 -5.631 -3.071 1.00 0.00 C ATOM 488 C ALA A 34 1.048 -4.836 -3.491 1.00 0.00 C ATOM 489 O ALA A 34 0.979 -4.015 -4.403 1.00 0.00 O ATOM 490 CB ALA A 34 -0.979 -6.157 -4.270 1.00 0.00 C ATOM 0 H ALA A 34 -1.253 -3.897 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 34 0.168 -6.506 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.337 -6.779 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.821 -6.750 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.350 -5.316 -4.856 1.00 0.00 H new ATOM 496 N LEU A 35 2.179 -5.102 -2.836 1.00 0.00 N ATOM 497 CA LEU A 35 3.425 -4.388 -3.094 1.00 0.00 C ATOM 498 C LEU A 35 4.122 -5.096 -4.255 1.00 0.00 C ATOM 499 O LEU A 35 4.431 -6.290 -4.158 1.00 0.00 O ATOM 500 CB LEU A 35 4.329 -4.345 -1.836 1.00 0.00 C ATOM 501 CG LEU A 35 5.696 -3.601 -2.004 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.493 -2.115 -2.379 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.561 -3.744 -0.742 1.00 0.00 C ATOM 0 H LEU A 35 2.255 -5.818 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 35 3.217 -3.349 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.774 -3.867 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.531 -5.369 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 35 6.228 -4.074 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.464 -1.631 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.948 -2.049 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.924 -1.616 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.505 -3.218 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.034 -3.317 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.759 -4.799 -0.554 1.00 0.00 H new ATOM 515 N ASN A 36 4.283 -4.348 -5.373 1.00 0.00 N ATOM 516 CA ASN A 36 4.782 -4.874 -6.667 1.00 0.00 C ATOM 517 C ASN A 36 3.784 -5.897 -7.249 1.00 0.00 C ATOM 518 O ASN A 36 4.173 -6.791 -8.009 1.00 0.00 O ATOM 519 CB ASN A 36 6.223 -5.477 -6.520 1.00 0.00 C ATOM 520 CG ASN A 36 7.327 -4.457 -6.217 1.00 0.00 C ATOM 521 OD1 ASN A 36 8.465 -4.617 -6.671 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.044 -3.423 -5.425 1.00 0.00 N ATOM 0 H ASN A 36 4.068 -3.351 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 36 4.859 -4.046 -7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.209 -6.221 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.477 -6.001 -7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.772 -2.750 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.100 -3.305 -5.058 1.00 0.00 H new ATOM 529 N TYR A 37 2.480 -5.711 -6.898 1.00 0.00 N ATOM 530 CA TYR A 37 1.350 -6.600 -7.275 1.00 0.00 C ATOM 531 C TYR A 37 1.415 -7.977 -6.578 1.00 0.00 C ATOM 532 O TYR A 37 0.789 -8.942 -7.030 1.00 0.00 O ATOM 533 CB TYR A 37 1.192 -6.737 -8.827 1.00 0.00 C ATOM 534 CG TYR A 37 0.792 -5.428 -9.524 1.00 0.00 C ATOM 535 CD1 TYR A 37 -0.533 -4.990 -9.518 1.00 0.00 C ATOM 536 CD2 TYR A 37 1.737 -4.626 -10.168 1.00 0.00 C ATOM 537 CE1 TYR A 37 -0.898 -3.812 -10.127 1.00 0.00 C ATOM 538 CE2 TYR A 37 1.374 -3.446 -10.775 1.00 0.00 C ATOM 539 CZ TYR A 37 0.060 -3.042 -10.748 1.00 0.00 C ATOM 540 OH TYR A 37 -0.305 -1.864 -11.351 1.00 0.00 O ATOM 0 H TYR A 37 2.182 -4.918 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 37 0.448 -6.110 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.133 -7.091 -9.249 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.441 -7.497 -9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.286 -5.587 -9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.771 -4.938 -10.190 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.930 -3.493 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.118 -2.840 -11.271 1.00 0.00 H new ATOM 0 HH TYR A 37 0.486 -1.438 -11.743 1.00 0.00 H new ATOM 550 N ASP A 38 2.133 -8.048 -5.442 1.00 0.00 N ATOM 551 CA ASP A 38 2.180 -9.238 -4.570 1.00 0.00 C ATOM 552 C ASP A 38 1.536 -8.890 -3.216 1.00 0.00 C ATOM 553 O ASP A 38 2.046 -8.019 -2.496 1.00 0.00 O ATOM 554 CB ASP A 38 3.648 -9.704 -4.399 1.00 0.00 C ATOM 555 CG ASP A 38 3.778 -10.954 -3.518 1.00 0.00 C ATOM 556 OD1 ASP A 38 3.472 -12.064 -3.991 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.160 -10.833 -2.343 1.00 0.00 O ATOM 0 H ASP A 38 2.702 -7.274 -5.100 1.00 0.00 H new ATOM 0 HA ASP A 38 1.622 -10.060 -5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.075 -9.911 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.232 -8.895 -3.961 1.00 0.00 H new ATOM 562 N VAL A 39 0.404 -9.557 -2.888 1.00 0.00 N ATOM 563 CA VAL A 39 -0.445 -9.218 -1.729 1.00 0.00 C ATOM 564 C VAL A 39 0.271 -9.478 -0.390 1.00 0.00 C ATOM 565 O VAL A 39 0.661 -10.610 -0.094 1.00 0.00 O ATOM 566 CB VAL A 39 -1.820 -9.998 -1.767 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.659 -9.760 -0.484 1.00 0.00 C ATOM 568 CG2 VAL A 39 -2.627 -9.619 -3.029 1.00 0.00 C ATOM 0 H VAL A 39 0.055 -10.350 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.649 -8.150 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.589 -11.062 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.595 -10.315 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.098 -10.102 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.874 -8.696 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.570 -10.166 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.829 -8.548 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.052 -9.875 -3.919 1.00 0.00 H new ATOM 578 N VAL A 40 0.409 -8.409 0.403 1.00 0.00 N ATOM 579 CA VAL A 40 1.011 -8.426 1.738 1.00 0.00 C ATOM 580 C VAL A 40 -0.112 -8.560 2.805 1.00 0.00 C ATOM 581 O VAL A 40 -1.065 -7.771 2.774 1.00 0.00 O ATOM 582 CB VAL A 40 1.830 -7.103 1.987 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.445 -7.053 3.407 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.908 -6.915 0.896 1.00 0.00 C ATOM 0 H VAL A 40 0.094 -7.480 0.123 1.00 0.00 H new ATOM 0 HA VAL A 40 1.691 -9.274 1.813 1.00 0.00 H new ATOM 0 HB VAL A 40 1.131 -6.269 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.000 -6.123 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.649 -7.103 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.120 -7.898 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.462 -5.996 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.594 -7.762 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.430 -6.854 -0.082 1.00 0.00 H new ATOM 594 N PRO A 41 -0.025 -9.568 3.737 1.00 0.00 N ATOM 595 CA PRO A 41 -0.993 -9.725 4.859 1.00 0.00 C ATOM 596 C PRO A 41 -0.928 -8.551 5.865 1.00 0.00 C ATOM 597 O PRO A 41 0.103 -7.875 5.974 1.00 0.00 O ATOM 598 CB PRO A 41 -0.571 -11.065 5.520 1.00 0.00 C ATOM 599 CG PRO A 41 0.864 -11.252 5.132 1.00 0.00 C ATOM 600 CD PRO A 41 0.997 -10.652 3.749 1.00 0.00 C ATOM 0 HA PRO A 41 -2.026 -9.726 4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.685 -11.024 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.187 -11.891 5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.528 -10.756 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.134 -12.308 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.999 -10.260 3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.806 -11.391 2.971 1.00 0.00 H new ATOM 608 N ARG A 42 -2.040 -8.358 6.607 1.00 0.00 N ATOM 609 CA ARG A 42 -2.248 -7.192 7.497 1.00 0.00 C ATOM 610 C ARG A 42 -1.172 -7.077 8.582 1.00 0.00 C ATOM 611 O ARG A 42 -0.707 -5.972 8.874 1.00 0.00 O ATOM 612 CB ARG A 42 -3.663 -7.214 8.146 1.00 0.00 C ATOM 613 CG ARG A 42 -3.996 -5.964 8.991 1.00 0.00 C ATOM 614 CD ARG A 42 -5.384 -6.024 9.643 1.00 0.00 C ATOM 615 NE ARG A 42 -5.676 -4.790 10.388 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.649 -4.623 11.302 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.460 -5.630 11.631 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.803 -3.444 11.879 1.00 0.00 N ATOM 0 H ARG A 42 -2.824 -9.010 6.606 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.168 -6.311 6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.409 -7.315 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.746 -8.098 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.241 -5.848 9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.938 -5.079 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.143 -6.177 8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.435 -6.879 10.317 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.084 -3.983 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.347 -6.542 11.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.193 -5.488 12.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.187 -2.670 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.538 -3.308 12.573 1.00 0.00 H new ATOM 632 N GLY A 43 -0.783 -8.230 9.156 1.00 0.00 N ATOM 633 CA GLY A 43 0.238 -8.281 10.205 1.00 0.00 C ATOM 634 C GLY A 43 1.612 -7.772 9.772 1.00 0.00 C ATOM 635 O GLY A 43 2.439 -7.422 10.625 1.00 0.00 O ATOM 0 H GLY A 43 -1.166 -9.141 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.103 -7.692 11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.337 -9.310 10.549 1.00 0.00 H new ATOM 639 N LYS A 44 1.850 -7.693 8.450 1.00 0.00 N ATOM 640 CA LYS A 44 3.146 -7.272 7.891 1.00 0.00 C ATOM 641 C LYS A 44 3.134 -5.822 7.372 1.00 0.00 C ATOM 642 O LYS A 44 4.194 -5.303 7.022 1.00 0.00 O ATOM 643 CB LYS A 44 3.587 -8.223 6.751 1.00 0.00 C ATOM 644 CG LYS A 44 3.811 -9.680 7.191 1.00 0.00 C ATOM 645 CD LYS A 44 4.476 -10.523 6.082 1.00 0.00 C ATOM 646 CE LYS A 44 4.625 -12.005 6.448 1.00 0.00 C ATOM 647 NZ LYS A 44 5.321 -12.781 5.375 1.00 0.00 N ATOM 0 H LYS A 44 1.151 -7.919 7.742 1.00 0.00 H new ATOM 0 HA LYS A 44 3.860 -7.321 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.831 -8.205 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.510 -7.842 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.436 -9.697 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.855 -10.128 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.886 -10.440 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.461 -10.110 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.184 -12.094 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.639 -12.435 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.401 -13.777 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.775 -12.719 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.272 -12.388 5.223 1.00 0.00 H new ATOM 661 N TRP A 45 1.955 -5.178 7.321 1.00 0.00 N ATOM 662 CA TRP A 45 1.821 -3.787 6.811 1.00 0.00 C ATOM 663 C TRP A 45 2.757 -2.802 7.564 1.00 0.00 C ATOM 664 O TRP A 45 3.319 -1.880 6.969 1.00 0.00 O ATOM 665 CB TRP A 45 0.353 -3.297 6.905 1.00 0.00 C ATOM 666 CG TRP A 45 -0.633 -4.016 6.022 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.373 -4.952 5.066 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.056 -3.832 6.017 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.539 -5.377 4.489 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.584 -4.698 5.046 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.927 -3.018 6.744 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.944 -4.774 4.783 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.282 -3.102 6.485 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.778 -3.972 5.513 1.00 0.00 C ATOM 0 H TRP A 45 1.075 -5.593 7.626 1.00 0.00 H new ATOM 0 HA TRP A 45 2.121 -3.805 5.763 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.023 -3.392 7.940 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.327 -2.236 6.658 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.612 -5.307 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.615 -6.087 3.760 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.550 -2.337 7.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.331 -5.443 4.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.969 -2.484 7.044 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.842 -4.013 5.333 1.00 0.00 H new ATOM 685 N ASP A 46 2.901 -3.036 8.876 1.00 0.00 N ATOM 686 CA ASP A 46 3.792 -2.264 9.768 1.00 0.00 C ATOM 687 C ASP A 46 5.273 -2.417 9.357 1.00 0.00 C ATOM 688 O ASP A 46 5.988 -1.427 9.192 1.00 0.00 O ATOM 689 CB ASP A 46 3.568 -2.734 11.229 1.00 0.00 C ATOM 690 CG ASP A 46 4.465 -2.023 12.248 1.00 0.00 C ATOM 691 OD1 ASP A 46 4.205 -0.848 12.546 1.00 0.00 O ATOM 692 OD2 ASP A 46 5.425 -2.638 12.760 1.00 0.00 O ATOM 0 H ASP A 46 2.395 -3.778 9.360 1.00 0.00 H new ATOM 0 HA ASP A 46 3.549 -1.205 9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.525 -2.569 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.746 -3.808 11.288 1.00 0.00 H new ATOM 697 N GLU A 47 5.705 -3.674 9.174 1.00 0.00 N ATOM 698 CA GLU A 47 7.105 -4.018 8.805 1.00 0.00 C ATOM 699 C GLU A 47 7.356 -3.929 7.273 1.00 0.00 C ATOM 700 O GLU A 47 8.458 -4.245 6.810 1.00 0.00 O ATOM 701 CB GLU A 47 7.445 -5.449 9.325 1.00 0.00 C ATOM 702 CG GLU A 47 6.523 -6.544 8.758 1.00 0.00 C ATOM 703 CD GLU A 47 6.928 -7.983 9.095 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.699 -8.590 8.320 1.00 0.00 O ATOM 705 OE2 GLU A 47 6.456 -8.529 10.111 1.00 0.00 O ATOM 0 H GLU A 47 5.100 -4.489 9.276 1.00 0.00 H new ATOM 0 HA GLU A 47 7.760 -3.285 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.477 -5.685 9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.379 -5.457 10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.513 -6.372 9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.487 -6.439 7.674 1.00 0.00 H new ATOM 712 N THR A 48 6.336 -3.521 6.491 1.00 0.00 N ATOM 713 CA THR A 48 6.466 -3.295 5.032 1.00 0.00 C ATOM 714 C THR A 48 6.513 -1.767 4.745 1.00 0.00 C ATOM 715 O THR A 48 5.610 -1.042 5.179 1.00 0.00 O ATOM 716 CB THR A 48 5.285 -3.979 4.256 1.00 0.00 C ATOM 717 OG1 THR A 48 5.316 -5.396 4.501 1.00 0.00 O ATOM 718 CG2 THR A 48 5.349 -3.745 2.736 1.00 0.00 C ATOM 0 H THR A 48 5.399 -3.338 6.850 1.00 0.00 H new ATOM 0 HA THR A 48 7.394 -3.747 4.682 1.00 0.00 H new ATOM 0 HB THR A 48 4.362 -3.529 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.959 -5.581 5.395 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.506 -4.242 2.256 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.305 -2.676 2.530 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.281 -4.151 2.344 1.00 0.00 H new ATOM 726 N PRO A 49 7.599 -1.245 4.075 1.00 0.00 N ATOM 727 CA PRO A 49 7.731 0.207 3.762 1.00 0.00 C ATOM 728 C PRO A 49 6.961 0.667 2.496 1.00 0.00 C ATOM 729 O PRO A 49 6.583 -0.136 1.637 1.00 0.00 O ATOM 730 CB PRO A 49 9.260 0.362 3.570 1.00 0.00 C ATOM 731 CG PRO A 49 9.699 -0.949 2.982 1.00 0.00 C ATOM 732 CD PRO A 49 8.809 -2.007 3.621 1.00 0.00 C ATOM 0 HA PRO A 49 7.298 0.827 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.494 1.194 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.761 0.560 4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.589 -0.948 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.750 -1.141 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.544 -2.788 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.309 -2.496 4.457 1.00 0.00 H new ATOM 740 N VAL A 50 6.738 1.993 2.412 1.00 0.00 N ATOM 741 CA VAL A 50 6.190 2.681 1.227 1.00 0.00 C ATOM 742 C VAL A 50 7.354 3.440 0.565 1.00 0.00 C ATOM 743 O VAL A 50 7.703 4.547 0.993 1.00 0.00 O ATOM 744 CB VAL A 50 5.023 3.688 1.617 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.526 4.506 0.401 1.00 0.00 C ATOM 746 CG2 VAL A 50 3.851 2.940 2.272 1.00 0.00 C ATOM 0 H VAL A 50 6.938 2.630 3.183 1.00 0.00 H new ATOM 0 HA VAL A 50 5.755 1.951 0.544 1.00 0.00 H new ATOM 0 HB VAL A 50 5.439 4.392 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.729 5.180 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.352 5.088 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.146 3.828 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.065 3.650 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.457 2.200 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.198 2.439 3.176 1.00 0.00 H new ATOM 756 N THR A 51 7.996 2.819 -0.428 1.00 0.00 N ATOM 757 CA THR A 51 9.179 3.388 -1.091 1.00 0.00 C ATOM 758 C THR A 51 8.770 3.930 -2.465 1.00 0.00 C ATOM 759 O THR A 51 7.925 3.331 -3.140 1.00 0.00 O ATOM 760 CB THR A 51 10.309 2.318 -1.203 1.00 0.00 C ATOM 761 OG1 THR A 51 9.789 1.125 -1.798 1.00 0.00 O ATOM 762 CG2 THR A 51 10.903 1.960 0.167 1.00 0.00 C ATOM 0 H THR A 51 7.714 1.911 -0.796 1.00 0.00 H new ATOM 0 HA THR A 51 9.577 4.212 -0.498 1.00 0.00 H new ATOM 0 HB THR A 51 11.098 2.747 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.812 1.209 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.686 1.212 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.326 2.854 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.119 1.560 0.810 1.00 0.00 H new ATOM 770 N ALA A 52 9.375 5.066 -2.854 1.00 0.00 N ATOM 771 CA ALA A 52 8.952 5.881 -4.001 1.00 0.00 C ATOM 772 C ALA A 52 8.993 5.118 -5.340 1.00 0.00 C ATOM 773 O ALA A 52 10.023 4.540 -5.709 1.00 0.00 O ATOM 774 CB ALA A 52 9.807 7.161 -4.070 1.00 0.00 C ATOM 0 H ALA A 52 10.187 5.449 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 52 7.906 6.144 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.491 7.764 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.678 7.734 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.857 6.892 -4.185 1.00 0.00 H new ATOM 780 N GLY A 53 7.860 5.146 -6.065 1.00 0.00 N ATOM 781 CA GLY A 53 7.738 4.528 -7.385 1.00 0.00 C ATOM 782 C GLY A 53 7.416 3.037 -7.357 1.00 0.00 C ATOM 783 O GLY A 53 7.548 2.369 -8.387 1.00 0.00 O ATOM 0 H GLY A 53 7.005 5.601 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.958 5.045 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.671 4.675 -7.929 1.00 0.00 H new ATOM 787 N ASP A 54 7.018 2.501 -6.188 1.00 0.00 N ATOM 788 CA ASP A 54 6.588 1.087 -6.068 1.00 0.00 C ATOM 789 C ASP A 54 5.099 0.936 -6.378 1.00 0.00 C ATOM 790 O ASP A 54 4.290 1.834 -6.089 1.00 0.00 O ATOM 791 CB ASP A 54 6.930 0.518 -4.664 1.00 0.00 C ATOM 792 CG ASP A 54 8.423 0.188 -4.535 1.00 0.00 C ATOM 793 OD1 ASP A 54 9.262 1.105 -4.682 1.00 0.00 O ATOM 794 OD2 ASP A 54 8.771 -0.998 -4.328 1.00 0.00 O ATOM 0 H ASP A 54 6.984 3.022 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 54 7.140 0.506 -6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.650 1.243 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.341 -0.381 -4.482 1.00 0.00 H new ATOM 799 N GLU A 55 4.757 -0.225 -6.964 1.00 0.00 N ATOM 800 CA GLU A 55 3.418 -0.550 -7.464 1.00 0.00 C ATOM 801 C GLU A 55 2.553 -1.095 -6.320 1.00 0.00 C ATOM 802 O GLU A 55 2.423 -2.311 -6.131 1.00 0.00 O ATOM 803 CB GLU A 55 3.503 -1.574 -8.635 1.00 0.00 C ATOM 804 CG GLU A 55 4.330 -1.117 -9.871 1.00 0.00 C ATOM 805 CD GLU A 55 5.851 -0.976 -9.632 1.00 0.00 C ATOM 806 OE1 GLU A 55 6.441 -1.833 -8.932 1.00 0.00 O ATOM 807 OE2 GLU A 55 6.456 0.000 -10.116 1.00 0.00 O ATOM 0 H GLU A 55 5.427 -0.982 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 55 2.954 0.358 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.935 -2.499 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.490 -1.807 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.170 -1.831 -10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.942 -0.157 -10.213 1.00 0.00 H new ATOM 814 N ILE A 56 2.002 -0.174 -5.534 1.00 0.00 N ATOM 815 CA ILE A 56 1.146 -0.485 -4.386 1.00 0.00 C ATOM 816 C ILE A 56 -0.323 -0.597 -4.863 1.00 0.00 C ATOM 817 O ILE A 56 -1.016 0.397 -4.999 1.00 0.00 O ATOM 818 CB ILE A 56 1.309 0.657 -3.302 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.802 0.752 -2.847 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.363 0.451 -2.097 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.101 1.865 -1.861 1.00 0.00 C ATOM 0 H ILE A 56 2.138 0.827 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 56 1.435 -1.435 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 56 1.023 1.603 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.091 -0.198 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.427 0.891 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.509 1.257 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.671 0.454 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.584 -0.504 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.161 1.850 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.850 2.826 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.508 1.720 -0.958 1.00 0.00 H new ATOM 833 N GLU A 57 -0.787 -1.821 -5.125 1.00 0.00 N ATOM 834 CA GLU A 57 -2.171 -2.077 -5.571 1.00 0.00 C ATOM 835 C GLU A 57 -3.048 -2.391 -4.356 1.00 0.00 C ATOM 836 O GLU A 57 -2.889 -3.436 -3.731 1.00 0.00 O ATOM 837 CB GLU A 57 -2.197 -3.252 -6.593 1.00 0.00 C ATOM 838 CG GLU A 57 -3.608 -3.715 -7.044 1.00 0.00 C ATOM 839 CD GLU A 57 -4.456 -2.605 -7.689 1.00 0.00 C ATOM 840 OE1 GLU A 57 -4.285 -2.339 -8.896 1.00 0.00 O ATOM 841 OE2 GLU A 57 -5.311 -2.003 -6.999 1.00 0.00 O ATOM 0 H GLU A 57 -0.221 -2.665 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.564 -1.189 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.632 -2.955 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.677 -4.104 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.500 -4.534 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.142 -4.110 -6.180 1.00 0.00 H new ATOM 848 N ILE A 58 -3.971 -1.484 -4.022 1.00 0.00 N ATOM 849 CA ILE A 58 -4.857 -1.654 -2.861 1.00 0.00 C ATOM 850 C ILE A 58 -6.226 -2.145 -3.346 1.00 0.00 C ATOM 851 O ILE A 58 -7.028 -1.384 -3.890 1.00 0.00 O ATOM 852 CB ILE A 58 -4.977 -0.316 -2.038 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.564 0.089 -1.497 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.007 -0.454 -0.888 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.525 1.340 -0.639 1.00 0.00 C ATOM 0 H ILE A 58 -4.126 -0.620 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.434 -2.399 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.342 0.474 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.166 -0.742 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.896 0.232 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.067 0.486 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.986 -0.695 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.694 -1.250 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.501 1.529 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.886 2.190 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.160 1.201 0.236 1.00 0.00 H new ATOM 867 N LEU A 59 -6.469 -3.434 -3.139 1.00 0.00 N ATOM 868 CA LEU A 59 -7.662 -4.144 -3.633 1.00 0.00 C ATOM 869 C LEU A 59 -8.427 -4.772 -2.470 1.00 0.00 C ATOM 870 O LEU A 59 -8.000 -4.677 -1.325 1.00 0.00 O ATOM 871 CB LEU A 59 -7.226 -5.203 -4.701 1.00 0.00 C ATOM 872 CG LEU A 59 -5.909 -6.037 -4.419 1.00 0.00 C ATOM 873 CD1 LEU A 59 -5.995 -6.907 -3.144 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.547 -6.913 -5.633 1.00 0.00 C ATOM 0 H LEU A 59 -5.834 -4.035 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.343 -3.442 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.048 -5.908 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.098 -4.686 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.120 -5.305 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.060 -7.451 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.169 -6.268 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.817 -7.616 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.639 -7.477 -5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.364 -7.605 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.381 -6.278 -6.503 1.00 0.00 H new