USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 451 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 9 ASN : amide:sc= 0.523 K(o=0.96,f=-0.039) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.441 K(o=0.96,f=-1.9) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -119:sc= 0.553 (180deg=-0.835) USER MOD Set 2.2: A 57 THR OG1 : rot 149:sc= 1.44 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 128:sc= 0.0674 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.649 K(o=0.65,f=-6.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0046 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.43) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 28 GLN : amide:sc= 0.649 K(o=0.65,f=-3.3!) USER MOD Single : A 30 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -111:sc= 0.368 (180deg=-0.00457) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.358 K(o=0.36,f=-0.26) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.270 2.359 -4.081 1.00 0.00 N ATOM 2 CA MET A 1 -26.934 1.819 -3.806 1.00 0.00 C ATOM 3 C MET A 1 -26.278 2.658 -2.721 1.00 0.00 C ATOM 4 O MET A 1 -26.535 3.861 -2.647 1.00 0.00 O ATOM 5 CB MET A 1 -26.072 1.733 -5.079 1.00 0.00 C ATOM 6 CG MET A 1 -25.345 3.028 -5.451 1.00 0.00 C ATOM 7 SD MET A 1 -24.441 2.947 -7.011 1.00 0.00 S ATOM 8 CE MET A 1 -23.490 4.484 -6.891 1.00 0.00 C ATOM 0 H1 MET A 1 -28.374 2.523 -5.103 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.991 1.680 -3.764 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.393 3.257 -3.572 1.00 0.00 H new ATOM 0 HA MET A 1 -27.030 0.793 -3.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.333 0.943 -4.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.709 1.438 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.073 3.837 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.648 3.282 -4.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.869 4.598 -7.779 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.173 5.330 -6.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.855 4.451 -6.006 1.00 0.00 H new ATOM 18 N GLU A 2 -25.433 2.055 -1.890 1.00 0.00 N ATOM 19 CA GLU A 2 -24.704 2.695 -0.801 1.00 0.00 C ATOM 20 C GLU A 2 -23.252 2.271 -0.984 1.00 0.00 C ATOM 21 O GLU A 2 -22.930 1.101 -0.774 1.00 0.00 O ATOM 22 CB GLU A 2 -25.308 2.286 0.554 1.00 0.00 C ATOM 23 CG GLU A 2 -26.514 3.175 0.903 1.00 0.00 C ATOM 24 CD GLU A 2 -27.622 2.411 1.624 1.00 0.00 C ATOM 25 OE1 GLU A 2 -27.623 2.341 2.873 1.00 0.00 O ATOM 26 OE2 GLU A 2 -28.550 1.936 0.934 1.00 0.00 O ATOM 0 H GLU A 2 -25.229 1.058 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.771 3.783 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -25.618 1.242 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.552 2.368 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -26.181 4.002 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -26.915 3.611 -0.012 1.00 0.00 H new ATOM 33 N GLU A 3 -22.381 3.185 -1.413 1.00 0.00 N ATOM 34 CA GLU A 3 -20.965 2.923 -1.667 1.00 0.00 C ATOM 35 C GLU A 3 -20.099 4.038 -1.066 1.00 0.00 C ATOM 36 O GLU A 3 -20.591 5.119 -0.729 1.00 0.00 O ATOM 37 CB GLU A 3 -20.736 2.755 -3.184 1.00 0.00 C ATOM 38 CG GLU A 3 -21.530 1.561 -3.747 1.00 0.00 C ATOM 39 CD GLU A 3 -21.224 1.189 -5.199 1.00 0.00 C ATOM 40 OE1 GLU A 3 -20.668 2.004 -5.968 1.00 0.00 O ATOM 41 OE2 GLU A 3 -21.587 0.057 -5.592 1.00 0.00 O ATOM 0 H GLU A 3 -22.648 4.152 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.667 1.994 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.034 3.667 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.673 2.611 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.337 0.691 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.594 1.784 -3.664 1.00 0.00 H new ATOM 48 N VAL A 4 -18.808 3.754 -0.923 1.00 0.00 N ATOM 49 CA VAL A 4 -17.748 4.608 -0.390 1.00 0.00 C ATOM 50 C VAL A 4 -16.567 4.581 -1.380 1.00 0.00 C ATOM 51 O VAL A 4 -16.609 3.809 -2.348 1.00 0.00 O ATOM 52 CB VAL A 4 -17.365 4.147 1.041 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.444 4.560 2.054 1.00 0.00 C ATOM 54 CG2 VAL A 4 -17.117 2.636 1.182 1.00 0.00 C ATOM 0 H VAL A 4 -18.444 2.842 -1.201 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.079 5.642 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.419 4.647 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.154 4.226 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.550 5.645 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.394 4.102 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.855 2.405 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.020 2.092 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.299 2.339 0.525 1.00 0.00 H new ATOM 64 N THR A 5 -15.521 5.394 -1.165 1.00 0.00 N ATOM 65 CA THR A 5 -14.336 5.453 -2.028 1.00 0.00 C ATOM 66 C THR A 5 -13.074 5.478 -1.153 1.00 0.00 C ATOM 67 O THR A 5 -12.738 6.516 -0.574 1.00 0.00 O ATOM 68 CB THR A 5 -14.418 6.648 -2.993 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.630 6.633 -3.722 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.274 6.616 -4.005 1.00 0.00 C ATOM 0 H THR A 5 -15.476 6.037 -0.375 1.00 0.00 H new ATOM 0 HA THR A 5 -14.290 4.563 -2.655 1.00 0.00 H new ATOM 0 HB THR A 5 -14.357 7.548 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.658 7.404 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.357 7.472 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.321 6.658 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.327 5.695 -4.585 1.00 0.00 H new ATOM 78 N ILE A 6 -12.400 4.335 -1.006 1.00 0.00 N ATOM 79 CA ILE A 6 -11.181 4.201 -0.218 1.00 0.00 C ATOM 80 C ILE A 6 -9.990 4.413 -1.152 1.00 0.00 C ATOM 81 O ILE A 6 -9.924 3.827 -2.239 1.00 0.00 O ATOM 82 CB ILE A 6 -11.114 2.842 0.517 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.388 2.629 1.371 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.855 2.776 1.401 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.409 1.338 2.192 1.00 0.00 C ATOM 0 H ILE A 6 -12.696 3.461 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.165 4.955 0.569 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.059 2.045 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.498 3.475 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.255 2.636 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.820 1.814 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.967 2.889 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.885 3.578 2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.340 1.280 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.335 0.480 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.566 1.333 2.883 1.00 0.00 H new ATOM 97 N LYS A 7 -9.048 5.252 -0.724 1.00 0.00 N ATOM 98 CA LYS A 7 -7.820 5.617 -1.416 1.00 0.00 C ATOM 99 C LYS A 7 -6.656 4.860 -0.799 1.00 0.00 C ATOM 100 O LYS A 7 -6.561 4.796 0.424 1.00 0.00 O ATOM 101 CB LYS A 7 -7.614 7.131 -1.234 1.00 0.00 C ATOM 102 CG LYS A 7 -6.246 7.622 -1.730 1.00 0.00 C ATOM 103 CD LYS A 7 -6.141 9.150 -1.787 1.00 0.00 C ATOM 104 CE LYS A 7 -6.201 9.899 -0.443 1.00 0.00 C ATOM 105 NZ LYS A 7 -7.569 10.091 0.086 1.00 0.00 N ATOM 0 H LYS A 7 -9.131 5.725 0.176 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.880 5.368 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.400 7.664 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.721 7.381 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.467 7.234 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.058 7.213 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.203 9.408 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.946 9.523 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.613 9.349 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.730 10.875 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.769 11.108 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.256 9.655 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.645 9.645 1.022 1.00 0.00 H new ATOM 119 N ALA A 8 -5.751 4.352 -1.628 1.00 0.00 N ATOM 120 CA ALA A 8 -4.567 3.624 -1.215 1.00 0.00 C ATOM 121 C ALA A 8 -3.321 4.324 -1.747 1.00 0.00 C ATOM 122 O ALA A 8 -3.180 4.519 -2.957 1.00 0.00 O ATOM 123 CB ALA A 8 -4.625 2.173 -1.680 1.00 0.00 C ATOM 0 H ALA A 8 -5.829 4.441 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.523 3.613 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.724 1.651 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.501 1.688 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.691 2.142 -2.768 1.00 0.00 H new ATOM 129 N ASN A 9 -2.450 4.753 -0.836 1.00 0.00 N ATOM 130 CA ASN A 9 -1.181 5.412 -1.117 1.00 0.00 C ATOM 131 C ASN A 9 -0.165 4.286 -0.995 1.00 0.00 C ATOM 132 O ASN A 9 -0.056 3.689 0.073 1.00 0.00 O ATOM 133 CB ASN A 9 -0.860 6.519 -0.101 1.00 0.00 C ATOM 134 CG ASN A 9 -1.850 7.669 -0.166 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.856 8.452 -1.111 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.710 7.801 0.826 1.00 0.00 N ATOM 0 H ASN A 9 -2.620 4.644 0.164 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.187 5.903 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.862 6.098 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.145 6.898 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.390 8.561 0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.694 7.143 1.605 1.00 0.00 H new ATOM 143 N LEU A 10 0.528 3.946 -2.076 1.00 0.00 N ATOM 144 CA LEU A 10 1.522 2.882 -2.139 1.00 0.00 C ATOM 145 C LEU A 10 2.911 3.518 -2.112 1.00 0.00 C ATOM 146 O LEU A 10 3.340 4.100 -3.113 1.00 0.00 O ATOM 147 CB LEU A 10 1.301 2.058 -3.424 1.00 0.00 C ATOM 148 CG LEU A 10 -0.066 1.334 -3.471 1.00 0.00 C ATOM 149 CD1 LEU A 10 -0.678 1.429 -4.875 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.061 -0.138 -3.062 1.00 0.00 C ATOM 0 H LEU A 10 0.407 4.424 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 10 1.430 2.207 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.382 2.719 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.097 1.319 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.722 1.832 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.639 0.914 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.824 2.477 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.007 0.964 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.919 -0.614 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.743 -0.647 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.449 -0.201 -2.045 1.00 0.00 H new ATOM 162 N ILE A 11 3.594 3.443 -0.970 1.00 0.00 N ATOM 163 CA ILE A 11 4.932 3.978 -0.740 1.00 0.00 C ATOM 164 C ILE A 11 5.892 2.807 -0.976 1.00 0.00 C ATOM 165 O ILE A 11 5.980 1.888 -0.156 1.00 0.00 O ATOM 166 CB ILE A 11 5.071 4.588 0.681 1.00 0.00 C ATOM 167 CG1 ILE A 11 3.887 5.510 1.065 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.396 5.372 0.754 1.00 0.00 C ATOM 169 CD1 ILE A 11 3.926 5.979 2.526 1.00 0.00 C ATOM 0 H ILE A 11 3.210 2.986 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 11 5.157 4.804 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 11 5.064 3.766 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.889 6.382 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.951 4.980 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.507 5.807 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.229 4.697 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.390 6.167 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.068 6.621 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.893 5.113 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.845 6.537 2.705 1.00 0.00 H new ATOM 181 N PHE A 12 6.564 2.777 -2.128 1.00 0.00 N ATOM 182 CA PHE A 12 7.487 1.692 -2.448 1.00 0.00 C ATOM 183 C PHE A 12 8.817 1.850 -1.719 1.00 0.00 C ATOM 184 O PHE A 12 9.201 2.953 -1.310 1.00 0.00 O ATOM 185 CB PHE A 12 7.702 1.617 -3.961 1.00 0.00 C ATOM 186 CG PHE A 12 6.419 1.324 -4.706 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.787 0.076 -4.561 1.00 0.00 C ATOM 188 CD2 PHE A 12 5.824 2.318 -5.495 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.576 -0.182 -5.221 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.606 2.068 -6.137 1.00 0.00 C ATOM 191 CZ PHE A 12 3.980 0.815 -6.010 1.00 0.00 C ATOM 0 H PHE A 12 6.485 3.491 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 12 7.041 0.758 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.118 2.560 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.435 0.842 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.235 -0.686 -3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.306 3.278 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.102 -1.147 -5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.144 2.841 -6.733 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.046 0.621 -6.516 1.00 0.00 H new ATOM 201 N ALA A 13 9.538 0.739 -1.560 1.00 0.00 N ATOM 202 CA ALA A 13 10.833 0.716 -0.903 1.00 0.00 C ATOM 203 C ALA A 13 11.844 1.512 -1.724 1.00 0.00 C ATOM 204 O ALA A 13 12.608 2.282 -1.146 1.00 0.00 O ATOM 205 CB ALA A 13 11.303 -0.725 -0.693 1.00 0.00 C ATOM 0 H ALA A 13 9.231 -0.176 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 13 10.743 1.181 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.275 -0.722 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.582 -1.256 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.387 -1.224 -1.658 1.00 0.00 H new ATOM 211 N ASN A 14 11.777 1.373 -3.055 1.00 0.00 N ATOM 212 CA ASN A 14 12.628 2.025 -4.051 1.00 0.00 C ATOM 213 C ASN A 14 12.505 3.556 -4.081 1.00 0.00 C ATOM 214 O ASN A 14 13.266 4.214 -4.799 1.00 0.00 O ATOM 215 CB ASN A 14 12.365 1.423 -5.444 1.00 0.00 C ATOM 216 CG ASN A 14 10.930 1.618 -5.928 1.00 0.00 C ATOM 217 OD1 ASN A 14 10.440 2.738 -6.026 1.00 0.00 O ATOM 218 ND2 ASN A 14 10.214 0.539 -6.191 1.00 0.00 N ATOM 0 H ASN A 14 11.083 0.764 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 14 13.657 1.827 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.048 1.877 -6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.591 0.357 -5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.240 0.631 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.635 -0.386 -6.105 1.00 0.00 H new ATOM 225 N GLY A 15 11.556 4.136 -3.342 1.00 0.00 N ATOM 226 CA GLY A 15 11.338 5.574 -3.246 1.00 0.00 C ATOM 227 C GLY A 15 10.224 6.112 -4.142 1.00 0.00 C ATOM 228 O GLY A 15 9.781 7.240 -3.925 1.00 0.00 O ATOM 0 H GLY A 15 10.899 3.597 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.106 5.824 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.267 6.086 -3.497 1.00 0.00 H new ATOM 232 N SER A 16 9.788 5.375 -5.168 1.00 0.00 N ATOM 233 CA SER A 16 8.698 5.844 -6.014 1.00 0.00 C ATOM 234 C SER A 16 7.395 5.633 -5.228 1.00 0.00 C ATOM 235 O SER A 16 7.366 5.056 -4.134 1.00 0.00 O ATOM 236 CB SER A 16 8.696 5.142 -7.384 1.00 0.00 C ATOM 237 OG SER A 16 7.877 5.852 -8.309 1.00 0.00 O ATOM 0 H SER A 16 10.169 4.465 -5.427 1.00 0.00 H new ATOM 0 HA SER A 16 8.815 6.902 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.714 5.077 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.330 4.121 -7.275 1.00 0.00 H new ATOM 0 HG SER A 16 7.888 5.393 -9.175 1.00 0.00 H new ATOM 243 N THR A 17 6.291 6.100 -5.795 1.00 0.00 N ATOM 244 CA THR A 17 4.966 6.010 -5.211 1.00 0.00 C ATOM 245 C THR A 17 3.931 5.776 -6.307 1.00 0.00 C ATOM 246 O THR A 17 4.192 5.996 -7.493 1.00 0.00 O ATOM 247 CB THR A 17 4.655 7.311 -4.439 1.00 0.00 C ATOM 248 OG1 THR A 17 4.845 8.452 -5.259 1.00 0.00 O ATOM 249 CG2 THR A 17 5.506 7.493 -3.182 1.00 0.00 C ATOM 0 H THR A 17 6.296 6.566 -6.702 1.00 0.00 H new ATOM 0 HA THR A 17 4.929 5.171 -4.517 1.00 0.00 H new ATOM 0 HB THR A 17 3.611 7.216 -4.139 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.640 9.261 -4.746 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.234 8.427 -2.690 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.331 6.660 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.560 7.522 -3.457 1.00 0.00 H new ATOM 257 N GLN A 18 2.744 5.329 -5.913 1.00 0.00 N ATOM 258 CA GLN A 18 1.580 5.067 -6.750 1.00 0.00 C ATOM 259 C GLN A 18 0.383 5.320 -5.850 1.00 0.00 C ATOM 260 O GLN A 18 0.449 5.065 -4.646 1.00 0.00 O ATOM 261 CB GLN A 18 1.530 3.628 -7.298 1.00 0.00 C ATOM 262 CG GLN A 18 2.169 3.524 -8.691 1.00 0.00 C ATOM 263 CD GLN A 18 2.636 2.110 -9.028 1.00 0.00 C ATOM 264 OE1 GLN A 18 3.828 1.846 -9.141 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.735 1.153 -9.149 1.00 0.00 N ATOM 0 H GLN A 18 2.557 5.126 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 18 1.604 5.706 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.047 2.959 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.494 3.294 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.449 3.851 -9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.019 4.205 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.743 1.372 -9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.031 0.195 -9.336 1.00 0.00 H new ATOM 274 N THR A 19 -0.698 5.833 -6.413 1.00 0.00 N ATOM 275 CA THR A 19 -1.917 6.107 -5.670 1.00 0.00 C ATOM 276 C THR A 19 -3.054 5.545 -6.512 1.00 0.00 C ATOM 277 O THR A 19 -3.006 5.605 -7.747 1.00 0.00 O ATOM 278 CB THR A 19 -2.053 7.604 -5.357 1.00 0.00 C ATOM 279 OG1 THR A 19 -0.815 8.141 -4.914 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.090 7.850 -4.257 1.00 0.00 C ATOM 0 H THR A 19 -0.755 6.072 -7.403 1.00 0.00 H new ATOM 0 HA THR A 19 -1.921 5.631 -4.689 1.00 0.00 H new ATOM 0 HB THR A 19 -2.369 8.091 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.923 9.096 -4.721 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.163 8.919 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.060 7.474 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.786 7.332 -3.348 1.00 0.00 H new ATOM 288 N ALA A 20 -4.015 4.898 -5.863 1.00 0.00 N ATOM 289 CA ALA A 20 -5.173 4.302 -6.504 1.00 0.00 C ATOM 290 C ALA A 20 -6.387 4.448 -5.588 1.00 0.00 C ATOM 291 O ALA A 20 -6.242 4.713 -4.392 1.00 0.00 O ATOM 292 CB ALA A 20 -4.874 2.819 -6.774 1.00 0.00 C ATOM 0 H ALA A 20 -4.007 4.772 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.389 4.803 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.735 2.356 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.005 2.736 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.670 2.312 -5.831 1.00 0.00 H new ATOM 298 N GLU A 21 -7.582 4.261 -6.138 1.00 0.00 N ATOM 299 CA GLU A 21 -8.848 4.331 -5.420 1.00 0.00 C ATOM 300 C GLU A 21 -9.691 3.136 -5.869 1.00 0.00 C ATOM 301 O GLU A 21 -9.526 2.624 -6.982 1.00 0.00 O ATOM 302 CB GLU A 21 -9.573 5.667 -5.655 1.00 0.00 C ATOM 303 CG GLU A 21 -8.869 6.856 -4.986 1.00 0.00 C ATOM 304 CD GLU A 21 -9.601 8.180 -5.199 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.530 8.507 -4.431 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.189 8.980 -6.081 1.00 0.00 O ATOM 0 H GLU A 21 -7.699 4.050 -7.129 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.672 4.286 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.646 5.851 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.592 5.593 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.781 6.664 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.856 6.940 -5.380 1.00 0.00 H new ATOM 313 N PHE A 22 -10.589 2.705 -4.988 1.00 0.00 N ATOM 314 CA PHE A 22 -11.510 1.587 -5.148 1.00 0.00 C ATOM 315 C PHE A 22 -12.880 2.074 -4.690 1.00 0.00 C ATOM 316 O PHE A 22 -12.973 2.711 -3.634 1.00 0.00 O ATOM 317 CB PHE A 22 -11.044 0.426 -4.257 1.00 0.00 C ATOM 318 CG PHE A 22 -9.664 -0.121 -4.560 1.00 0.00 C ATOM 319 CD1 PHE A 22 -8.526 0.627 -4.215 1.00 0.00 C ATOM 320 CD2 PHE A 22 -9.502 -1.385 -5.149 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.243 0.140 -4.470 1.00 0.00 C ATOM 322 CE2 PHE A 22 -8.213 -1.886 -5.394 1.00 0.00 C ATOM 323 CZ PHE A 22 -7.083 -1.125 -5.061 1.00 0.00 C ATOM 0 H PHE A 22 -10.699 3.160 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.548 1.242 -6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.063 0.758 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.765 -0.387 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.646 1.592 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -10.369 -1.972 -5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.377 0.733 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.091 -2.862 -5.841 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.093 -1.510 -5.258 1.00 0.00 H new ATOM 333 N GLN A 23 -13.935 1.782 -5.447 1.00 0.00 N ATOM 334 CA GLN A 23 -15.304 2.183 -5.149 1.00 0.00 C ATOM 335 C GLN A 23 -16.132 0.933 -4.912 1.00 0.00 C ATOM 336 O GLN A 23 -15.986 -0.053 -5.634 1.00 0.00 O ATOM 337 CB GLN A 23 -15.916 2.984 -6.304 1.00 0.00 C ATOM 338 CG GLN A 23 -15.038 4.156 -6.750 1.00 0.00 C ATOM 339 CD GLN A 23 -15.664 4.972 -7.874 1.00 0.00 C ATOM 340 OE1 GLN A 23 -16.690 4.617 -8.454 1.00 0.00 O ATOM 341 NE2 GLN A 23 -15.070 6.098 -8.206 1.00 0.00 N ATOM 0 H GLN A 23 -13.856 1.244 -6.310 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.298 2.819 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -16.083 2.319 -7.151 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.891 3.363 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.849 4.807 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.072 3.775 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.220 6.388 -7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.460 6.681 -8.947 1.00 0.00 H new ATOM 350 N GLY A 24 -17.033 0.993 -3.938 1.00 0.00 N ATOM 351 CA GLY A 24 -17.899 -0.111 -3.573 1.00 0.00 C ATOM 352 C GLY A 24 -18.137 -0.066 -2.076 1.00 0.00 C ATOM 353 O GLY A 24 -18.111 1.010 -1.476 1.00 0.00 O ATOM 0 H GLY A 24 -17.181 1.828 -3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.846 -0.042 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.442 -1.059 -3.855 1.00 0.00 H new ATOM 357 N THR A 25 -18.472 -1.206 -1.480 1.00 0.00 N ATOM 358 CA THR A 25 -18.689 -1.299 -0.049 1.00 0.00 C ATOM 359 C THR A 25 -17.329 -1.177 0.656 1.00 0.00 C ATOM 360 O THR A 25 -16.280 -1.448 0.065 1.00 0.00 O ATOM 361 CB THR A 25 -19.405 -2.628 0.277 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.105 -3.662 -0.649 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.917 -2.412 0.268 1.00 0.00 C ATOM 0 H THR A 25 -18.599 -2.087 -1.978 1.00 0.00 H new ATOM 0 HA THR A 25 -19.331 -0.493 0.307 1.00 0.00 H new ATOM 0 HB THR A 25 -19.049 -2.938 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.583 -4.479 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.420 -3.351 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.182 -1.665 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.229 -2.065 -0.717 1.00 0.00 H new ATOM 371 N PHE A 26 -17.337 -0.818 1.942 1.00 0.00 N ATOM 372 CA PHE A 26 -16.121 -0.670 2.736 1.00 0.00 C ATOM 373 C PHE A 26 -15.307 -1.972 2.709 1.00 0.00 C ATOM 374 O PHE A 26 -14.098 -1.945 2.470 1.00 0.00 O ATOM 375 CB PHE A 26 -16.503 -0.248 4.161 1.00 0.00 C ATOM 376 CG PHE A 26 -15.323 0.119 5.036 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.787 1.420 4.985 1.00 0.00 C ATOM 378 CD2 PHE A 26 -14.775 -0.831 5.918 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.701 1.769 5.806 1.00 0.00 C ATOM 380 CE2 PHE A 26 -13.699 -0.476 6.748 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.155 0.819 6.685 1.00 0.00 C ATOM 0 H PHE A 26 -18.193 -0.622 2.462 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.485 0.107 2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.180 0.605 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.053 -1.062 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.211 2.152 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.181 -1.831 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.287 2.766 5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.288 -1.200 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.317 1.083 7.313 1.00 0.00 H new ATOM 391 N GLU A 27 -15.979 -3.114 2.899 1.00 0.00 N ATOM 392 CA GLU A 27 -15.373 -4.448 2.897 1.00 0.00 C ATOM 393 C GLU A 27 -14.925 -4.878 1.488 1.00 0.00 C ATOM 394 O GLU A 27 -14.250 -5.897 1.344 1.00 0.00 O ATOM 395 CB GLU A 27 -16.353 -5.478 3.494 1.00 0.00 C ATOM 396 CG GLU A 27 -16.695 -5.239 4.973 1.00 0.00 C ATOM 397 CD GLU A 27 -15.495 -5.376 5.912 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.241 -6.494 6.422 1.00 0.00 O ATOM 399 OE2 GLU A 27 -14.856 -4.366 6.257 1.00 0.00 O ATOM 0 H GLU A 27 -16.986 -3.135 3.063 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.478 -4.405 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.275 -5.465 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.924 -6.474 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.118 -4.240 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.466 -5.947 5.277 1.00 0.00 H new ATOM 406 N GLN A 28 -15.327 -4.165 0.432 1.00 0.00 N ATOM 407 CA GLN A 28 -14.925 -4.475 -0.932 1.00 0.00 C ATOM 408 C GLN A 28 -13.608 -3.759 -1.171 1.00 0.00 C ATOM 409 O GLN A 28 -12.576 -4.401 -1.349 1.00 0.00 O ATOM 410 CB GLN A 28 -15.993 -4.085 -1.968 1.00 0.00 C ATOM 411 CG GLN A 28 -15.531 -4.353 -3.414 1.00 0.00 C ATOM 412 CD GLN A 28 -15.287 -3.076 -4.221 1.00 0.00 C ATOM 413 OE1 GLN A 28 -14.396 -2.289 -3.924 1.00 0.00 O ATOM 414 NE2 GLN A 28 -16.086 -2.821 -5.242 1.00 0.00 N ATOM 0 H GLN A 28 -15.942 -3.355 0.505 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.807 -5.552 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.908 -4.644 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.235 -3.028 -1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.613 -4.940 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.283 -4.957 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.827 -3.478 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.962 -1.967 -5.786 1.00 0.00 H new ATOM 423 N ALA A 29 -13.640 -2.434 -1.102 1.00 0.00 N ATOM 424 CA ALA A 29 -12.504 -1.574 -1.336 1.00 0.00 C ATOM 425 C ALA A 29 -11.329 -1.848 -0.398 1.00 0.00 C ATOM 426 O ALA A 29 -10.186 -1.842 -0.858 1.00 0.00 O ATOM 427 CB ALA A 29 -13.024 -0.145 -1.268 1.00 0.00 C ATOM 0 H ALA A 29 -14.490 -1.919 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.074 -1.770 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.202 0.550 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.787 0.001 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.456 0.039 -0.284 1.00 0.00 H new ATOM 433 N THR A 30 -11.577 -2.103 0.891 1.00 0.00 N ATOM 434 CA THR A 30 -10.483 -2.390 1.819 1.00 0.00 C ATOM 435 C THR A 30 -9.804 -3.703 1.392 1.00 0.00 C ATOM 436 O THR A 30 -8.572 -3.788 1.321 1.00 0.00 O ATOM 437 CB THR A 30 -11.017 -2.494 3.261 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.715 -1.333 3.654 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.893 -2.724 4.272 1.00 0.00 C ATOM 0 H THR A 30 -12.508 -2.116 1.308 1.00 0.00 H new ATOM 0 HA THR A 30 -9.754 -1.580 1.792 1.00 0.00 H new ATOM 0 HB THR A 30 -11.694 -3.348 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.604 -1.330 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.314 -2.791 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.374 -3.652 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.189 -1.893 4.229 1.00 0.00 H new ATOM 447 N SER A 31 -10.609 -4.719 1.087 1.00 0.00 N ATOM 448 CA SER A 31 -10.154 -6.035 0.684 1.00 0.00 C ATOM 449 C SER A 31 -9.447 -6.019 -0.682 1.00 0.00 C ATOM 450 O SER A 31 -8.445 -6.714 -0.854 1.00 0.00 O ATOM 451 CB SER A 31 -11.400 -6.919 0.697 1.00 0.00 C ATOM 452 OG SER A 31 -11.096 -8.275 0.513 1.00 0.00 O ATOM 0 H SER A 31 -11.626 -4.640 1.116 1.00 0.00 H new ATOM 0 HA SER A 31 -9.395 -6.420 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.922 -6.792 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.082 -6.593 -0.088 1.00 0.00 H new ATOM 0 HG SER A 31 -11.923 -8.801 0.530 1.00 0.00 H new ATOM 458 N GLU A 32 -9.894 -5.198 -1.638 1.00 0.00 N ATOM 459 CA GLU A 32 -9.272 -5.119 -2.956 1.00 0.00 C ATOM 460 C GLU A 32 -7.959 -4.341 -2.870 1.00 0.00 C ATOM 461 O GLU A 32 -7.016 -4.677 -3.586 1.00 0.00 O ATOM 462 CB GLU A 32 -10.239 -4.557 -4.005 1.00 0.00 C ATOM 463 CG GLU A 32 -11.272 -5.622 -4.400 1.00 0.00 C ATOM 464 CD GLU A 32 -12.026 -5.277 -5.685 1.00 0.00 C ATOM 465 OE1 GLU A 32 -11.379 -5.097 -6.743 1.00 0.00 O ATOM 466 OE2 GLU A 32 -13.280 -5.265 -5.681 1.00 0.00 O ATOM 0 H GLU A 32 -10.692 -4.575 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.029 -6.127 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.746 -3.678 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.684 -4.234 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.767 -6.580 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.988 -5.745 -3.587 1.00 0.00 H new ATOM 473 N ALA A 33 -7.855 -3.358 -1.968 1.00 0.00 N ATOM 474 CA ALA A 33 -6.620 -2.605 -1.803 1.00 0.00 C ATOM 475 C ALA A 33 -5.520 -3.589 -1.380 1.00 0.00 C ATOM 476 O ALA A 33 -4.388 -3.501 -1.870 1.00 0.00 O ATOM 477 CB ALA A 33 -6.809 -1.470 -0.796 1.00 0.00 C ATOM 0 H ALA A 33 -8.611 -3.071 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.328 -2.130 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.874 -0.920 -0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.588 -0.795 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.100 -1.885 0.169 1.00 0.00 H new ATOM 483 N TYR A 34 -5.864 -4.578 -0.544 1.00 0.00 N ATOM 484 CA TYR A 34 -4.914 -5.583 -0.094 1.00 0.00 C ATOM 485 C TYR A 34 -4.595 -6.556 -1.225 1.00 0.00 C ATOM 486 O TYR A 34 -3.490 -7.102 -1.247 1.00 0.00 O ATOM 487 CB TYR A 34 -5.500 -6.420 1.050 1.00 0.00 C ATOM 488 CG TYR A 34 -5.795 -5.737 2.359 1.00 0.00 C ATOM 489 CD1 TYR A 34 -4.889 -4.801 2.871 1.00 0.00 C ATOM 490 CD2 TYR A 34 -6.931 -6.108 3.103 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.121 -4.209 4.117 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.137 -5.572 4.384 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.227 -4.619 4.894 1.00 0.00 C ATOM 494 OH TYR A 34 -6.459 -4.049 6.102 1.00 0.00 O ATOM 0 H TYR A 34 -6.804 -4.697 -0.167 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.021 -5.051 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.427 -6.867 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.808 -7.238 1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.009 -4.535 2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.644 -6.805 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.456 -3.441 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.985 -5.886 4.975 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.260 -4.446 6.503 1.00 0.00 H new ATOM 504 N ALA A 35 -5.534 -6.819 -2.138 1.00 0.00 N ATOM 505 CA ALA A 35 -5.302 -7.719 -3.257 1.00 0.00 C ATOM 506 C ALA A 35 -4.250 -7.075 -4.163 1.00 0.00 C ATOM 507 O ALA A 35 -3.270 -7.724 -4.535 1.00 0.00 O ATOM 508 CB ALA A 35 -6.604 -8.016 -4.005 1.00 0.00 C ATOM 0 H ALA A 35 -6.470 -6.413 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.934 -8.682 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.400 -8.691 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.316 -8.483 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.024 -7.086 -4.388 1.00 0.00 H new ATOM 514 N TYR A 36 -4.416 -5.784 -4.459 1.00 0.00 N ATOM 515 CA TYR A 36 -3.502 -5.013 -5.292 1.00 0.00 C ATOM 516 C TYR A 36 -2.104 -4.968 -4.652 1.00 0.00 C ATOM 517 O TYR A 36 -1.095 -5.103 -5.341 1.00 0.00 O ATOM 518 CB TYR A 36 -4.086 -3.606 -5.485 1.00 0.00 C ATOM 519 CG TYR A 36 -3.448 -2.795 -6.598 1.00 0.00 C ATOM 520 CD1 TYR A 36 -2.239 -2.099 -6.386 1.00 0.00 C ATOM 521 CD2 TYR A 36 -4.108 -2.687 -7.836 1.00 0.00 C ATOM 522 CE1 TYR A 36 -1.687 -1.318 -7.417 1.00 0.00 C ATOM 523 CE2 TYR A 36 -3.521 -1.964 -8.885 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.293 -1.297 -8.692 1.00 0.00 C ATOM 525 OH TYR A 36 -1.681 -0.677 -9.739 1.00 0.00 O ATOM 0 H TYR A 36 -5.207 -5.238 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.390 -5.485 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.153 -3.696 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.984 -3.055 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.738 -2.166 -5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.068 -3.161 -7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.798 -0.733 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.012 -1.918 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.239 -0.761 -10.540 1.00 0.00 H new ATOM 535 N ALA A 37 -2.018 -4.795 -3.330 1.00 0.00 N ATOM 536 CA ALA A 37 -0.724 -4.771 -2.658 1.00 0.00 C ATOM 537 C ALA A 37 -0.092 -6.173 -2.718 1.00 0.00 C ATOM 538 O ALA A 37 1.112 -6.320 -2.928 1.00 0.00 O ATOM 539 CB ALA A 37 -0.907 -4.294 -1.215 1.00 0.00 C ATOM 0 H ALA A 37 -2.821 -4.671 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.050 -4.075 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.060 -4.276 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.335 -3.292 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.577 -4.974 -0.689 1.00 0.00 H new ATOM 545 N ASP A 38 -0.899 -7.227 -2.569 1.00 0.00 N ATOM 546 CA ASP A 38 -0.440 -8.613 -2.595 1.00 0.00 C ATOM 547 C ASP A 38 0.106 -9.031 -3.954 1.00 0.00 C ATOM 548 O ASP A 38 1.096 -9.758 -3.985 1.00 0.00 O ATOM 549 CB ASP A 38 -1.552 -9.558 -2.130 1.00 0.00 C ATOM 550 CG ASP A 38 -1.053 -10.981 -1.909 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.133 -11.176 -1.083 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.633 -11.941 -2.465 1.00 0.00 O ATOM 0 H ASP A 38 -1.905 -7.137 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 38 0.394 -8.684 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.983 -9.179 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.351 -9.567 -2.872 1.00 0.00 H new ATOM 557 N THR A 39 -0.464 -8.557 -5.067 1.00 0.00 N ATOM 558 CA THR A 39 0.041 -8.922 -6.392 1.00 0.00 C ATOM 559 C THR A 39 1.438 -8.302 -6.583 1.00 0.00 C ATOM 560 O THR A 39 2.336 -8.974 -7.100 1.00 0.00 O ATOM 561 CB THR A 39 -0.982 -8.575 -7.507 1.00 0.00 C ATOM 562 OG1 THR A 39 -0.488 -8.831 -8.806 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.442 -7.129 -7.539 1.00 0.00 C ATOM 0 H THR A 39 -1.266 -7.927 -5.077 1.00 0.00 H new ATOM 0 HA THR A 39 0.161 -10.003 -6.469 1.00 0.00 H new ATOM 0 HB THR A 39 -1.817 -9.224 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.172 -8.597 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.154 -6.992 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.920 -6.878 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.582 -6.477 -7.695 1.00 0.00 H new ATOM 571 N LEU A 40 1.659 -7.077 -6.083 1.00 0.00 N ATOM 572 CA LEU A 40 2.929 -6.355 -6.197 1.00 0.00 C ATOM 573 C LEU A 40 4.042 -6.954 -5.335 1.00 0.00 C ATOM 574 O LEU A 40 5.217 -6.686 -5.599 1.00 0.00 O ATOM 575 CB LEU A 40 2.715 -4.878 -5.821 1.00 0.00 C ATOM 576 CG LEU A 40 1.897 -4.091 -6.861 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.431 -2.774 -6.236 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.710 -3.797 -8.128 1.00 0.00 C ATOM 0 H LEU A 40 0.944 -6.553 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 40 3.255 -6.443 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.208 -4.827 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.686 -4.399 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 40 1.042 -4.702 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.851 -2.210 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.811 -2.984 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.299 -2.189 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.094 -3.240 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.588 -3.206 -7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.026 -4.735 -8.583 1.00 0.00 H new ATOM 590 N LYS A 41 3.701 -7.774 -4.332 1.00 0.00 N ATOM 591 CA LYS A 41 4.648 -8.429 -3.423 1.00 0.00 C ATOM 592 C LYS A 41 5.708 -9.239 -4.184 1.00 0.00 C ATOM 593 O LYS A 41 6.813 -9.422 -3.680 1.00 0.00 O ATOM 594 CB LYS A 41 3.833 -9.310 -2.455 1.00 0.00 C ATOM 595 CG LYS A 41 4.605 -9.825 -1.228 1.00 0.00 C ATOM 596 CD LYS A 41 3.779 -10.792 -0.370 1.00 0.00 C ATOM 597 CE LYS A 41 2.495 -10.131 0.153 1.00 0.00 C ATOM 598 NZ LYS A 41 1.791 -10.991 1.120 1.00 0.00 N ATOM 0 H LYS A 41 2.729 -8.006 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 41 5.205 -7.678 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.971 -8.740 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.447 -10.167 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.514 -10.327 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.914 -8.977 -0.617 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.521 -11.672 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.380 -11.136 0.472 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.742 -9.180 0.625 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.834 -9.909 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.902 -11.329 0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.391 -11.805 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.582 -10.447 1.981 1.00 0.00 H new ATOM 612 N GLN A 42 5.389 -9.687 -5.400 1.00 0.00 N ATOM 613 CA GLN A 42 6.232 -10.475 -6.291 1.00 0.00 C ATOM 614 C GLN A 42 7.618 -9.846 -6.500 1.00 0.00 C ATOM 615 O GLN A 42 8.599 -10.580 -6.526 1.00 0.00 O ATOM 616 CB GLN A 42 5.456 -10.653 -7.613 1.00 0.00 C ATOM 617 CG GLN A 42 5.866 -11.856 -8.478 1.00 0.00 C ATOM 618 CD GLN A 42 4.710 -12.227 -9.416 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.219 -11.408 -10.191 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.179 -13.432 -9.323 1.00 0.00 N ATOM 0 H GLN A 42 4.476 -9.495 -5.812 1.00 0.00 H new ATOM 0 HA GLN A 42 6.441 -11.448 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.395 -10.743 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.575 -9.746 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.756 -11.614 -9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.120 -12.705 -7.843 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.580 -14.118 -8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.368 -13.677 -9.891 1.00 0.00 H new ATOM 629 N ASP A 43 7.711 -8.513 -6.578 1.00 0.00 N ATOM 630 CA ASP A 43 8.974 -7.785 -6.788 1.00 0.00 C ATOM 631 C ASP A 43 9.206 -6.703 -5.724 1.00 0.00 C ATOM 632 O ASP A 43 10.338 -6.263 -5.519 1.00 0.00 O ATOM 633 CB ASP A 43 8.947 -7.174 -8.200 1.00 0.00 C ATOM 634 CG ASP A 43 10.236 -6.442 -8.603 1.00 0.00 C ATOM 635 OD1 ASP A 43 11.360 -6.951 -8.396 1.00 0.00 O ATOM 636 OD2 ASP A 43 10.126 -5.392 -9.280 1.00 0.00 O ATOM 0 H ASP A 43 6.901 -7.899 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 43 9.806 -8.483 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.754 -7.968 -8.922 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.113 -6.476 -8.264 1.00 0.00 H new ATOM 641 N ASN A 44 8.155 -6.295 -4.997 1.00 0.00 N ATOM 642 CA ASN A 44 8.228 -5.259 -3.958 1.00 0.00 C ATOM 643 C ASN A 44 8.384 -5.814 -2.541 1.00 0.00 C ATOM 644 O ASN A 44 8.629 -5.039 -1.619 1.00 0.00 O ATOM 645 CB ASN A 44 6.984 -4.364 -3.987 1.00 0.00 C ATOM 646 CG ASN A 44 6.921 -3.506 -5.232 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.534 -2.445 -5.284 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.185 -3.938 -6.238 1.00 0.00 N ATOM 0 H ASN A 44 7.218 -6.681 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 44 9.125 -4.687 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.091 -4.986 -3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.981 -3.722 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.113 -3.385 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.688 -4.825 -6.162 1.00 0.00 H new ATOM 655 N GLY A 45 8.263 -7.126 -2.337 1.00 0.00 N ATOM 656 CA GLY A 45 8.414 -7.712 -1.014 1.00 0.00 C ATOM 657 C GLY A 45 7.237 -7.423 -0.089 1.00 0.00 C ATOM 658 O GLY A 45 6.176 -6.973 -0.534 1.00 0.00 O ATOM 0 H GLY A 45 8.061 -7.800 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.533 -8.791 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.328 -7.331 -0.558 1.00 0.00 H new ATOM 662 N GLU A 46 7.412 -7.768 1.191 1.00 0.00 N ATOM 663 CA GLU A 46 6.420 -7.589 2.241 1.00 0.00 C ATOM 664 C GLU A 46 6.018 -6.122 2.353 1.00 0.00 C ATOM 665 O GLU A 46 6.737 -5.203 1.952 1.00 0.00 O ATOM 666 CB GLU A 46 6.931 -8.118 3.600 1.00 0.00 C ATOM 667 CG GLU A 46 6.816 -9.645 3.659 1.00 0.00 C ATOM 668 CD GLU A 46 7.439 -10.285 4.906 1.00 0.00 C ATOM 669 OE1 GLU A 46 8.626 -10.677 4.846 1.00 0.00 O ATOM 670 OE2 GLU A 46 6.729 -10.535 5.908 1.00 0.00 O ATOM 0 H GLU A 46 8.276 -8.192 1.529 1.00 0.00 H new ATOM 0 HA GLU A 46 5.540 -8.172 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.969 -7.820 3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.354 -7.672 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.762 -9.919 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.292 -10.067 2.774 1.00 0.00 H new ATOM 677 N TRP A 47 4.838 -5.911 2.925 1.00 0.00 N ATOM 678 CA TRP A 47 4.261 -4.603 3.121 1.00 0.00 C ATOM 679 C TRP A 47 3.352 -4.611 4.336 1.00 0.00 C ATOM 680 O TRP A 47 2.938 -5.672 4.817 1.00 0.00 O ATOM 681 CB TRP A 47 3.473 -4.210 1.860 1.00 0.00 C ATOM 682 CG TRP A 47 2.531 -5.234 1.294 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.806 -6.030 0.238 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.174 -5.583 1.714 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.700 -6.791 -0.068 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.679 -6.594 0.838 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.310 -5.162 2.748 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.602 -7.151 0.982 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.963 -5.739 2.923 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.422 -6.730 2.041 1.00 0.00 C ATOM 0 H TRP A 47 4.249 -6.668 3.271 1.00 0.00 H new ATOM 0 HA TRP A 47 5.052 -3.873 3.293 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.899 -3.311 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.189 -3.944 1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.750 -6.064 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.643 -7.423 -0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.632 -4.380 3.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.953 -7.897 0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.590 -5.417 3.741 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.401 -7.166 2.176 1.00 0.00 H new ATOM 701 N THR A 48 3.026 -3.414 4.803 1.00 0.00 N ATOM 702 CA THR A 48 2.152 -3.151 5.933 1.00 0.00 C ATOM 703 C THR A 48 1.185 -2.036 5.519 1.00 0.00 C ATOM 704 O THR A 48 1.313 -1.467 4.428 1.00 0.00 O ATOM 705 CB THR A 48 2.976 -2.865 7.206 1.00 0.00 C ATOM 706 OG1 THR A 48 3.901 -1.808 7.066 1.00 0.00 O ATOM 707 CG2 THR A 48 3.771 -4.100 7.636 1.00 0.00 C ATOM 0 H THR A 48 3.384 -2.557 4.381 1.00 0.00 H new ATOM 0 HA THR A 48 1.552 -4.021 6.198 1.00 0.00 H new ATOM 0 HB THR A 48 2.233 -2.583 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.385 -1.683 7.909 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.342 -3.870 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.084 -4.921 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.453 -4.390 6.837 1.00 0.00 H new ATOM 715 N VAL A 49 0.195 -1.734 6.354 1.00 0.00 N ATOM 716 CA VAL A 49 -0.803 -0.705 6.104 1.00 0.00 C ATOM 717 C VAL A 49 -0.998 0.112 7.376 1.00 0.00 C ATOM 718 O VAL A 49 -0.803 -0.402 8.482 1.00 0.00 O ATOM 719 CB VAL A 49 -2.101 -1.376 5.604 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.767 -2.249 6.682 1.00 0.00 C ATOM 721 CG2 VAL A 49 -3.113 -0.358 5.059 1.00 0.00 C ATOM 0 H VAL A 49 0.063 -2.212 7.245 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.481 -0.014 5.325 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.793 -2.025 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.675 -2.697 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.079 -3.037 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.020 -1.632 7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.008 -0.880 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.380 0.347 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.670 0.183 4.223 1.00 0.00 H new ATOM 731 N ASP A 50 -1.409 1.363 7.229 1.00 0.00 N ATOM 732 CA ASP A 50 -1.685 2.321 8.283 1.00 0.00 C ATOM 733 C ASP A 50 -3.084 2.821 7.939 1.00 0.00 C ATOM 734 O ASP A 50 -3.321 3.345 6.847 1.00 0.00 O ATOM 735 CB ASP A 50 -0.614 3.422 8.336 1.00 0.00 C ATOM 736 CG ASP A 50 0.406 3.175 9.449 1.00 0.00 C ATOM 737 OD1 ASP A 50 1.010 2.083 9.532 1.00 0.00 O ATOM 738 OD2 ASP A 50 0.615 4.071 10.296 1.00 0.00 O ATOM 0 H ASP A 50 -1.569 1.761 6.303 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.652 1.900 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.099 3.473 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.094 4.388 8.492 1.00 0.00 H new ATOM 743 N VAL A 51 -4.037 2.546 8.832 1.00 0.00 N ATOM 744 CA VAL A 51 -5.448 2.891 8.700 1.00 0.00 C ATOM 745 C VAL A 51 -5.647 4.337 9.163 1.00 0.00 C ATOM 746 O VAL A 51 -5.522 4.625 10.358 1.00 0.00 O ATOM 747 CB VAL A 51 -6.298 1.896 9.530 1.00 0.00 C ATOM 748 CG1 VAL A 51 -7.804 2.094 9.293 1.00 0.00 C ATOM 749 CG2 VAL A 51 -5.955 0.431 9.206 1.00 0.00 C ATOM 0 H VAL A 51 -3.834 2.056 9.703 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.771 2.818 7.662 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.057 2.105 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.364 1.377 9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.087 3.107 9.579 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.030 1.939 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.575 -0.230 9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.143 0.238 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.904 0.246 9.427 1.00 0.00 H new ATOM 759 N ALA A 52 -5.960 5.242 8.228 1.00 0.00 N ATOM 760 CA ALA A 52 -6.180 6.659 8.485 1.00 0.00 C ATOM 761 C ALA A 52 -7.472 7.132 7.814 1.00 0.00 C ATOM 762 O ALA A 52 -8.128 6.379 7.094 1.00 0.00 O ATOM 763 CB ALA A 52 -4.965 7.431 7.971 1.00 0.00 C ATOM 0 H ALA A 52 -6.069 4.995 7.244 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.295 6.837 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.107 8.496 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.070 7.090 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.850 7.258 6.901 1.00 0.00 H new ATOM 769 N ASP A 53 -7.864 8.381 8.075 1.00 0.00 N ATOM 770 CA ASP A 53 -9.063 9.038 7.541 1.00 0.00 C ATOM 771 C ASP A 53 -10.321 8.174 7.791 1.00 0.00 C ATOM 772 O ASP A 53 -11.232 8.144 6.962 1.00 0.00 O ATOM 773 CB ASP A 53 -8.899 9.397 6.045 1.00 0.00 C ATOM 774 CG ASP A 53 -7.704 10.275 5.635 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.629 10.276 6.277 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.780 10.887 4.544 1.00 0.00 O ATOM 0 H ASP A 53 -7.330 8.992 8.693 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.196 9.978 8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.835 8.465 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.809 9.902 5.722 1.00 0.00 H new ATOM 781 N GLN A 54 -10.404 7.476 8.936 1.00 0.00 N ATOM 782 CA GLN A 54 -11.486 6.563 9.348 1.00 0.00 C ATOM 783 C GLN A 54 -11.520 5.306 8.458 1.00 0.00 C ATOM 784 O GLN A 54 -12.522 4.593 8.398 1.00 0.00 O ATOM 785 CB GLN A 54 -12.875 7.234 9.477 1.00 0.00 C ATOM 786 CG GLN A 54 -13.080 7.969 10.806 1.00 0.00 C ATOM 787 CD GLN A 54 -14.527 8.430 10.954 1.00 0.00 C ATOM 788 OE1 GLN A 54 -14.818 9.621 10.882 1.00 0.00 O ATOM 789 NE2 GLN A 54 -15.477 7.520 11.100 1.00 0.00 N ATOM 0 H GLN A 54 -9.672 7.537 9.644 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.242 6.252 10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.006 7.940 8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.648 6.473 9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.817 7.311 11.635 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.413 8.829 10.857 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.232 6.532 11.159 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.454 7.807 11.153 1.00 0.00 H new ATOM 798 N GLY A 55 -10.410 4.978 7.803 1.00 0.00 N ATOM 799 CA GLY A 55 -10.261 3.836 6.919 1.00 0.00 C ATOM 800 C GLY A 55 -10.469 4.224 5.462 1.00 0.00 C ATOM 801 O GLY A 55 -10.353 3.360 4.601 1.00 0.00 O ATOM 0 H GLY A 55 -9.555 5.528 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.267 3.406 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.979 3.064 7.197 1.00 0.00 H new ATOM 805 N TYR A 56 -10.789 5.489 5.154 1.00 0.00 N ATOM 806 CA TYR A 56 -10.982 5.911 3.770 1.00 0.00 C ATOM 807 C TYR A 56 -9.650 6.200 3.070 1.00 0.00 C ATOM 808 O TYR A 56 -9.649 6.390 1.851 1.00 0.00 O ATOM 809 CB TYR A 56 -11.930 7.111 3.686 1.00 0.00 C ATOM 810 CG TYR A 56 -13.325 6.878 4.243 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.082 5.741 3.883 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.885 7.828 5.113 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.378 5.557 4.397 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.181 7.657 5.626 1.00 0.00 C ATOM 815 CZ TYR A 56 -15.932 6.514 5.275 1.00 0.00 C ATOM 816 OH TYR A 56 -17.185 6.337 5.770 1.00 0.00 O ATOM 0 H TYR A 56 -10.918 6.229 5.844 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.447 5.080 3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.479 7.947 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.019 7.410 2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.663 5.009 3.209 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.312 8.700 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.950 4.684 4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.603 8.399 6.288 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.413 7.086 6.359 1.00 0.00 H new ATOM 826 N THR A 57 -8.533 6.239 3.800 1.00 0.00 N ATOM 827 CA THR A 57 -7.206 6.471 3.262 1.00 0.00 C ATOM 828 C THR A 57 -6.309 5.432 3.916 1.00 0.00 C ATOM 829 O THR A 57 -6.212 5.341 5.141 1.00 0.00 O ATOM 830 CB THR A 57 -6.723 7.908 3.476 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.605 8.808 2.828 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.336 8.119 2.868 1.00 0.00 C ATOM 0 H THR A 57 -8.535 6.105 4.811 1.00 0.00 H new ATOM 0 HA THR A 57 -7.195 6.361 2.178 1.00 0.00 H new ATOM 0 HB THR A 57 -6.690 8.087 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.631 9.654 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.018 9.148 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.625 7.439 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.374 7.920 1.797 1.00 0.00 H new ATOM 840 N LEU A 58 -5.690 4.621 3.073 1.00 0.00 N ATOM 841 CA LEU A 58 -4.797 3.550 3.435 1.00 0.00 C ATOM 842 C LEU A 58 -3.416 3.953 3.018 1.00 0.00 C ATOM 843 O LEU A 58 -3.198 4.319 1.861 1.00 0.00 O ATOM 844 CB LEU A 58 -5.194 2.278 2.685 1.00 0.00 C ATOM 845 CG LEU A 58 -6.597 1.795 3.055 1.00 0.00 C ATOM 846 CD1 LEU A 58 -6.892 0.561 2.214 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.657 1.485 4.550 1.00 0.00 C ATOM 0 H LEU A 58 -5.809 4.703 2.063 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.842 3.360 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.148 2.463 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.473 1.491 2.904 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.347 2.560 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.888 0.188 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.845 0.822 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.154 -0.211 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.658 1.141 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.932 0.707 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.424 2.386 5.118 1.00 0.00 H new ATOM 859 N ASN A 59 -2.492 3.884 3.962 1.00 0.00 N ATOM 860 CA ASN A 59 -1.113 4.224 3.704 1.00 0.00 C ATOM 861 C ASN A 59 -0.388 2.891 3.735 1.00 0.00 C ATOM 862 O ASN A 59 -0.215 2.302 4.797 1.00 0.00 O ATOM 863 CB ASN A 59 -0.623 5.301 4.679 1.00 0.00 C ATOM 864 CG ASN A 59 -1.397 6.608 4.492 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.784 6.971 3.381 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.698 7.322 5.564 1.00 0.00 N ATOM 0 H ASN A 59 -2.680 3.592 4.921 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.931 4.699 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.741 4.949 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.441 5.480 4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.251 8.174 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.377 7.021 6.484 1.00 0.00 H new ATOM 873 N ILE A 60 -0.128 2.337 2.552 1.00 0.00 N ATOM 874 CA ILE A 60 0.533 1.058 2.339 1.00 0.00 C ATOM 875 C ILE A 60 2.007 1.352 2.095 1.00 0.00 C ATOM 876 O ILE A 60 2.340 2.216 1.281 1.00 0.00 O ATOM 877 CB ILE A 60 -0.115 0.306 1.149 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.649 0.203 1.331 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.525 -1.088 0.979 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.368 -0.484 0.169 1.00 0.00 C ATOM 0 H ILE A 60 -0.386 2.792 1.677 1.00 0.00 H new ATOM 0 HA ILE A 60 0.427 0.407 3.207 1.00 0.00 H new ATOM 0 HB ILE A 60 0.071 0.875 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.860 -0.344 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.058 1.206 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.058 -1.603 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.593 -0.977 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.377 -1.670 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.438 -0.517 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.190 0.074 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.989 -1.500 0.056 1.00 0.00 H new ATOM 892 N GLN A 61 2.890 0.618 2.766 1.00 0.00 N ATOM 893 CA GLN A 61 4.327 0.789 2.643 1.00 0.00 C ATOM 894 C GLN A 61 4.970 -0.572 2.413 1.00 0.00 C ATOM 895 O GLN A 61 4.572 -1.542 3.055 1.00 0.00 O ATOM 896 CB GLN A 61 4.821 1.505 3.900 1.00 0.00 C ATOM 897 CG GLN A 61 6.327 1.768 3.860 1.00 0.00 C ATOM 898 CD GLN A 61 6.678 2.995 4.693 1.00 0.00 C ATOM 899 OE1 GLN A 61 6.137 3.208 5.779 1.00 0.00 O ATOM 900 NE2 GLN A 61 7.539 3.846 4.172 1.00 0.00 N ATOM 0 H GLN A 61 2.621 -0.120 3.417 1.00 0.00 H new ATOM 0 HA GLN A 61 4.603 1.404 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.291 2.451 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.582 0.903 4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.864 0.898 4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.649 1.917 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.973 3.645 3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.772 4.705 4.670 1.00 0.00 H new ATOM 909 N PHE A 62 5.919 -0.642 1.474 1.00 0.00 N ATOM 910 CA PHE A 62 6.636 -1.866 1.114 1.00 0.00 C ATOM 911 C PHE A 62 8.049 -1.844 1.691 1.00 0.00 C ATOM 912 O PHE A 62 8.667 -0.779 1.786 1.00 0.00 O ATOM 913 CB PHE A 62 6.711 -2.017 -0.412 1.00 0.00 C ATOM 914 CG PHE A 62 5.386 -2.257 -1.110 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.575 -1.168 -1.478 1.00 0.00 C ATOM 916 CD2 PHE A 62 4.976 -3.567 -1.425 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.367 -1.388 -2.158 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.770 -3.785 -2.117 1.00 0.00 C ATOM 919 CZ PHE A 62 2.962 -2.695 -2.480 1.00 0.00 C ATOM 0 H PHE A 62 6.215 0.170 0.932 1.00 0.00 H new ATOM 0 HA PHE A 62 6.091 -2.713 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.163 -1.116 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.380 -2.845 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.882 -0.161 -1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.589 -4.407 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.746 -0.549 -2.435 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.466 -4.790 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.033 -2.860 -3.005 1.00 0.00 H new ATOM 929 N ALA A 63 8.583 -3.027 1.995 1.00 0.00 N ATOM 930 CA ALA A 63 9.910 -3.235 2.564 1.00 0.00 C ATOM 931 C ALA A 63 10.965 -3.661 1.537 1.00 0.00 C ATOM 932 O ALA A 63 12.161 -3.586 1.833 1.00 0.00 O ATOM 933 CB ALA A 63 9.798 -4.330 3.631 1.00 0.00 C ATOM 0 H ALA A 63 8.080 -3.901 1.844 1.00 0.00 H new ATOM 0 HA ALA A 63 10.241 -2.280 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.778 -4.507 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.101 -4.013 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.436 -5.250 3.172 1.00 0.00 H new ATOM 939 N GLY A 64 10.572 -4.063 0.325 1.00 0.00 N ATOM 940 CA GLY A 64 11.496 -4.523 -0.708 1.00 0.00 C ATOM 941 C GLY A 64 11.870 -5.976 -0.410 1.00 0.00 C ATOM 942 O GLY A 64 11.673 -6.466 0.707 1.00 0.00 O ATOM 0 H GLY A 64 9.595 -4.077 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.034 -4.445 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.388 -3.897 -0.724 1.00 0.00 H new TER 946 GLY A 64