USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 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 18 GLN : amide:sc= -0.0103 X(o=0.0063,f=0) USER MOD Set 1.2: A 36 TYR OH : rot 28:sc= 0.0166 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -0.0762 (180deg=-1.01) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.12) USER MOD Single : A 30 THR OG1 : rot 103: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 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.49 K(o=0.49,f=-0.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.051) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.665 K(o=0.66,f=-0.028) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.309 1.942 -4.136 1.00 0.00 N ATOM 2 CA MET A 1 -26.468 3.281 -3.553 1.00 0.00 C ATOM 3 C MET A 1 -25.597 3.465 -2.312 1.00 0.00 C ATOM 4 O MET A 1 -25.058 4.559 -2.124 1.00 0.00 O ATOM 5 CB MET A 1 -27.941 3.686 -3.347 1.00 0.00 C ATOM 6 CG MET A 1 -28.567 3.301 -2.000 1.00 0.00 C ATOM 7 SD MET A 1 -28.148 4.414 -0.630 1.00 0.00 S ATOM 8 CE MET A 1 -29.040 3.619 0.730 1.00 0.00 C ATOM 0 H1 MET A 1 -26.916 1.855 -4.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.316 1.798 -4.410 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.583 1.224 -3.435 1.00 0.00 H new ATOM 0 HA MET A 1 -26.096 3.991 -4.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.019 4.767 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.535 3.235 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.651 3.275 -2.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.249 2.291 -1.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.883 4.185 1.648 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.105 3.590 0.499 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.670 2.602 0.863 1.00 0.00 H new ATOM 18 N GLU A 2 -25.471 2.455 -1.440 1.00 0.00 N ATOM 19 CA GLU A 2 -24.665 2.561 -0.232 1.00 0.00 C ATOM 20 C GLU A 2 -23.218 2.211 -0.568 1.00 0.00 C ATOM 21 O GLU A 2 -22.771 1.081 -0.362 1.00 0.00 O ATOM 22 CB GLU A 2 -25.250 1.687 0.886 1.00 0.00 C ATOM 23 CG GLU A 2 -24.461 1.890 2.187 1.00 0.00 C ATOM 24 CD GLU A 2 -24.991 1.031 3.325 1.00 0.00 C ATOM 25 OE1 GLU A 2 -26.095 1.340 3.834 1.00 0.00 O ATOM 26 OE2 GLU A 2 -24.278 0.097 3.756 1.00 0.00 O ATOM 0 H GLU A 2 -25.925 1.549 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.681 3.584 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -26.298 1.941 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -25.217 0.638 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.412 1.652 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -24.506 2.940 2.476 1.00 0.00 H new ATOM 33 N GLU A 3 -22.475 3.170 -1.109 1.00 0.00 N ATOM 34 CA GLU A 3 -21.079 2.996 -1.477 1.00 0.00 C ATOM 35 C GLU A 3 -20.241 4.100 -0.860 1.00 0.00 C ATOM 36 O GLU A 3 -20.763 5.105 -0.364 1.00 0.00 O ATOM 37 CB GLU A 3 -20.938 2.906 -3.005 1.00 0.00 C ATOM 38 CG GLU A 3 -21.553 1.572 -3.431 1.00 0.00 C ATOM 39 CD GLU A 3 -21.409 1.229 -4.907 1.00 0.00 C ATOM 40 OE1 GLU A 3 -21.599 2.108 -5.781 1.00 0.00 O ATOM 41 OE2 GLU A 3 -21.175 0.034 -5.187 1.00 0.00 O ATOM 0 H GLU A 3 -22.834 4.104 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.702 2.054 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.448 3.738 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.890 2.960 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.095 0.776 -2.844 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.614 1.583 -3.180 1.00 0.00 H new ATOM 48 N VAL A 4 -18.938 3.868 -0.878 1.00 0.00 N ATOM 49 CA VAL A 4 -17.863 4.691 -0.371 1.00 0.00 C ATOM 50 C VAL A 4 -16.679 4.537 -1.336 1.00 0.00 C ATOM 51 O VAL A 4 -16.721 3.725 -2.267 1.00 0.00 O ATOM 52 CB VAL A 4 -17.513 4.243 1.071 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.637 4.603 2.054 1.00 0.00 C ATOM 54 CG2 VAL A 4 -17.240 2.732 1.204 1.00 0.00 C ATOM 0 H VAL A 4 -18.576 3.009 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.141 5.744 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.595 4.780 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.362 4.276 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.789 5.682 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.559 4.106 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -17.002 2.495 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -18.125 2.174 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.399 2.457 0.567 1.00 0.00 H new ATOM 64 N THR A 5 -15.629 5.323 -1.112 1.00 0.00 N ATOM 65 CA THR A 5 -14.409 5.320 -1.899 1.00 0.00 C ATOM 66 C THR A 5 -13.266 5.335 -0.886 1.00 0.00 C ATOM 67 O THR A 5 -13.350 6.062 0.112 1.00 0.00 O ATOM 68 CB THR A 5 -14.363 6.529 -2.860 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.617 6.715 -3.500 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.278 6.398 -3.929 1.00 0.00 C ATOM 0 H THR A 5 -15.608 6.001 -0.350 1.00 0.00 H new ATOM 0 HA THR A 5 -14.340 4.443 -2.543 1.00 0.00 H new ATOM 0 HB THR A 5 -14.125 7.394 -2.241 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.566 7.486 -4.102 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.294 7.277 -4.574 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.302 6.318 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.462 5.506 -4.527 1.00 0.00 H new ATOM 78 N ILE A 6 -12.232 4.530 -1.111 1.00 0.00 N ATOM 79 CA ILE A 6 -11.061 4.437 -0.245 1.00 0.00 C ATOM 80 C ILE A 6 -9.834 4.718 -1.109 1.00 0.00 C ATOM 81 O ILE A 6 -9.598 4.027 -2.102 1.00 0.00 O ATOM 82 CB ILE A 6 -10.980 3.063 0.460 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.273 2.736 1.246 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.746 3.030 1.380 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.205 1.399 1.991 1.00 0.00 C ATOM 0 H ILE A 6 -12.184 3.910 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 6 -11.122 5.170 0.560 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.879 2.292 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.467 3.534 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.116 2.717 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.689 2.062 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.845 3.187 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.829 3.818 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.142 1.230 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.042 0.592 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.383 1.422 2.706 1.00 0.00 H new ATOM 97 N LYS A 7 -9.052 5.734 -0.746 1.00 0.00 N ATOM 98 CA LYS A 7 -7.849 6.111 -1.467 1.00 0.00 C ATOM 99 C LYS A 7 -6.696 5.359 -0.832 1.00 0.00 C ATOM 100 O LYS A 7 -6.570 5.357 0.392 1.00 0.00 O ATOM 101 CB LYS A 7 -7.617 7.622 -1.345 1.00 0.00 C ATOM 102 CG LYS A 7 -6.537 8.078 -2.338 1.00 0.00 C ATOM 103 CD LYS A 7 -5.901 9.423 -1.985 1.00 0.00 C ATOM 104 CE LYS A 7 -6.832 10.633 -2.105 1.00 0.00 C ATOM 105 NZ LYS A 7 -7.793 10.766 -0.991 1.00 0.00 N ATOM 0 H LYS A 7 -9.243 6.321 0.066 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.938 5.867 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.547 8.156 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.313 7.869 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.756 7.319 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.977 8.145 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.526 9.373 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.039 9.581 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.228 11.539 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.385 10.561 -3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.962 11.774 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.690 10.308 -1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.404 10.310 -0.141 1.00 0.00 H new ATOM 119 N ALA A 8 -5.845 4.739 -1.641 1.00 0.00 N ATOM 120 CA ALA A 8 -4.691 3.991 -1.174 1.00 0.00 C ATOM 121 C ALA A 8 -3.414 4.621 -1.713 1.00 0.00 C ATOM 122 O ALA A 8 -3.304 4.918 -2.904 1.00 0.00 O ATOM 123 CB ALA A 8 -4.792 2.528 -1.598 1.00 0.00 C ATOM 0 H ALA A 8 -5.942 4.744 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.666 4.025 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.918 1.984 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.694 2.087 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.836 2.467 -2.685 1.00 0.00 H new ATOM 129 N ASN A 9 -2.457 4.836 -0.816 1.00 0.00 N ATOM 130 CA ASN A 9 -1.145 5.402 -1.086 1.00 0.00 C ATOM 131 C ASN A 9 -0.217 4.206 -1.042 1.00 0.00 C ATOM 132 O ASN A 9 -0.137 3.548 -0.006 1.00 0.00 O ATOM 133 CB ASN A 9 -0.758 6.428 -0.017 1.00 0.00 C ATOM 134 CG ASN A 9 -1.606 7.678 -0.127 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.296 8.575 -0.912 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.702 7.747 0.610 1.00 0.00 N ATOM 0 H ASN A 9 -2.585 4.607 0.170 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.107 5.933 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.879 5.989 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.295 6.689 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.316 8.558 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.934 6.989 1.252 1.00 0.00 H new ATOM 143 N LEU A 10 0.460 3.910 -2.146 1.00 0.00 N ATOM 144 CA LEU A 10 1.365 2.780 -2.290 1.00 0.00 C ATOM 145 C LEU A 10 2.792 3.295 -2.412 1.00 0.00 C ATOM 146 O LEU A 10 3.140 3.933 -3.408 1.00 0.00 O ATOM 147 CB LEU A 10 0.953 1.982 -3.540 1.00 0.00 C ATOM 148 CG LEU A 10 -0.460 1.374 -3.451 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.078 1.300 -4.847 1.00 0.00 C ATOM 150 CD2 LEU A 10 -0.436 -0.022 -2.825 1.00 0.00 C ATOM 0 H LEU A 10 0.390 4.472 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 10 1.312 2.126 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.003 2.636 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.674 1.181 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.062 2.019 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.077 0.870 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.142 2.302 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.456 0.675 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.451 -0.418 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.184 -0.682 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.024 0.038 -1.818 1.00 0.00 H new ATOM 162 N ILE A 11 3.618 3.047 -1.399 1.00 0.00 N ATOM 163 CA ILE A 11 5.015 3.451 -1.344 1.00 0.00 C ATOM 164 C ILE A 11 5.865 2.201 -1.561 1.00 0.00 C ATOM 165 O ILE A 11 5.609 1.159 -0.948 1.00 0.00 O ATOM 166 CB ILE A 11 5.322 4.162 -0.005 1.00 0.00 C ATOM 167 CG1 ILE A 11 4.570 5.503 0.153 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.829 4.451 0.114 1.00 0.00 C ATOM 169 CD1 ILE A 11 3.095 5.397 0.534 1.00 0.00 C ATOM 0 H ILE A 11 3.320 2.541 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 11 5.248 4.175 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 11 4.986 3.482 0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.080 6.097 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.645 6.053 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.030 4.952 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.384 3.513 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.142 5.093 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.668 6.396 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.560 4.837 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.002 4.882 1.490 1.00 0.00 H new ATOM 181 N PHE A 12 6.826 2.263 -2.482 1.00 0.00 N ATOM 182 CA PHE A 12 7.726 1.160 -2.792 1.00 0.00 C ATOM 183 C PHE A 12 9.097 1.458 -2.189 1.00 0.00 C ATOM 184 O PHE A 12 9.437 2.614 -1.932 1.00 0.00 O ATOM 185 CB PHE A 12 7.855 0.999 -4.312 1.00 0.00 C ATOM 186 CG PHE A 12 6.592 0.565 -5.028 1.00 0.00 C ATOM 187 CD1 PHE A 12 6.165 -0.777 -4.973 1.00 0.00 C ATOM 188 CD2 PHE A 12 5.865 1.494 -5.793 1.00 0.00 C ATOM 189 CE1 PHE A 12 5.068 -1.201 -5.744 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.747 1.075 -6.531 1.00 0.00 C ATOM 191 CZ PHE A 12 4.365 -0.276 -6.536 1.00 0.00 C ATOM 0 H PHE A 12 7.002 3.097 -3.042 1.00 0.00 H new ATOM 0 HA PHE A 12 7.329 0.235 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.184 1.948 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.638 0.270 -4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.681 -1.481 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.167 2.531 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.765 -2.238 -5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.177 1.796 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.535 -0.603 -7.145 1.00 0.00 H new ATOM 201 N ALA A 13 9.903 0.417 -1.979 1.00 0.00 N ATOM 202 CA ALA A 13 11.249 0.553 -1.434 1.00 0.00 C ATOM 203 C ALA A 13 12.170 1.244 -2.458 1.00 0.00 C ATOM 204 O ALA A 13 13.244 1.734 -2.115 1.00 0.00 O ATOM 205 CB ALA A 13 11.759 -0.829 -1.027 1.00 0.00 C ATOM 0 H ALA A 13 9.638 -0.546 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 13 11.239 1.185 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.765 -0.740 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.097 -1.253 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.779 -1.481 -1.900 1.00 0.00 H new ATOM 211 N ASN A 14 11.734 1.323 -3.722 1.00 0.00 N ATOM 212 CA ASN A 14 12.432 1.967 -4.835 1.00 0.00 C ATOM 213 C ASN A 14 12.349 3.500 -4.713 1.00 0.00 C ATOM 214 O ASN A 14 12.825 4.223 -5.592 1.00 0.00 O ATOM 215 CB ASN A 14 11.780 1.548 -6.172 1.00 0.00 C ATOM 216 CG ASN A 14 11.998 0.084 -6.539 1.00 0.00 C ATOM 217 OD1 ASN A 14 12.857 -0.595 -5.985 1.00 0.00 O ATOM 218 ND2 ASN A 14 11.197 -0.456 -7.439 1.00 0.00 N ATOM 0 H ASN A 14 10.842 0.919 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 14 13.476 1.656 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.709 1.742 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.178 2.175 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.290 -1.443 -7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.485 0.114 -7.896 1.00 0.00 H new ATOM 225 N GLY A 15 11.709 4.025 -3.664 1.00 0.00 N ATOM 226 CA GLY A 15 11.525 5.447 -3.423 1.00 0.00 C ATOM 227 C GLY A 15 10.216 5.894 -4.068 1.00 0.00 C ATOM 228 O GLY A 15 9.454 6.638 -3.449 1.00 0.00 O ATOM 0 H GLY A 15 11.292 3.444 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.505 5.648 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.361 6.011 -3.838 1.00 0.00 H new ATOM 232 N SER A 16 9.942 5.408 -5.285 1.00 0.00 N ATOM 233 CA SER A 16 8.743 5.712 -6.045 1.00 0.00 C ATOM 234 C SER A 16 7.464 5.304 -5.318 1.00 0.00 C ATOM 235 O SER A 16 7.454 4.425 -4.451 1.00 0.00 O ATOM 236 CB SER A 16 8.815 5.033 -7.420 1.00 0.00 C ATOM 237 OG SER A 16 9.913 5.527 -8.170 1.00 0.00 O ATOM 0 H SER A 16 10.573 4.774 -5.775 1.00 0.00 H new ATOM 0 HA SER A 16 8.702 6.794 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.911 3.955 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.888 5.208 -7.966 1.00 0.00 H new ATOM 0 HG SER A 16 9.941 5.080 -9.042 1.00 0.00 H new ATOM 243 N THR A 17 6.362 5.911 -5.750 1.00 0.00 N ATOM 244 CA THR A 17 5.037 5.702 -5.206 1.00 0.00 C ATOM 245 C THR A 17 4.005 5.562 -6.326 1.00 0.00 C ATOM 246 O THR A 17 4.319 5.753 -7.507 1.00 0.00 O ATOM 247 CB THR A 17 4.712 6.897 -4.290 1.00 0.00 C ATOM 248 OG1 THR A 17 4.768 8.105 -5.028 1.00 0.00 O ATOM 249 CG2 THR A 17 5.693 7.026 -3.129 1.00 0.00 C ATOM 0 H THR A 17 6.375 6.585 -6.516 1.00 0.00 H new ATOM 0 HA THR A 17 5.004 4.776 -4.632 1.00 0.00 H new ATOM 0 HB THR A 17 3.713 6.716 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.558 8.859 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.419 7.884 -2.515 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.661 6.120 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.701 7.166 -3.519 1.00 0.00 H new ATOM 257 N GLN A 18 2.780 5.207 -5.952 1.00 0.00 N ATOM 258 CA GLN A 18 1.614 5.029 -6.810 1.00 0.00 C ATOM 259 C GLN A 18 0.371 5.305 -5.948 1.00 0.00 C ATOM 260 O GLN A 18 0.413 5.075 -4.738 1.00 0.00 O ATOM 261 CB GLN A 18 1.608 3.625 -7.449 1.00 0.00 C ATOM 262 CG GLN A 18 0.872 3.620 -8.801 1.00 0.00 C ATOM 263 CD GLN A 18 0.775 2.239 -9.459 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.259 1.890 -10.020 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.835 1.447 -9.487 1.00 0.00 N ATOM 0 H GLN A 18 2.561 5.023 -4.973 1.00 0.00 H new ATOM 0 HA GLN A 18 1.629 5.724 -7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.634 3.285 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.129 2.918 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.135 4.012 -8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.383 4.300 -9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.697 1.732 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.790 0.552 -9.973 1.00 0.00 H new ATOM 274 N THR A 19 -0.702 5.856 -6.513 1.00 0.00 N ATOM 275 CA THR A 19 -1.933 6.142 -5.774 1.00 0.00 C ATOM 276 C THR A 19 -3.102 5.466 -6.495 1.00 0.00 C ATOM 277 O THR A 19 -3.122 5.446 -7.727 1.00 0.00 O ATOM 278 CB THR A 19 -2.159 7.658 -5.617 1.00 0.00 C ATOM 279 OG1 THR A 19 -0.950 8.373 -5.408 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.076 7.940 -4.420 1.00 0.00 C ATOM 0 H THR A 19 -0.743 6.118 -7.498 1.00 0.00 H new ATOM 0 HA THR A 19 -1.853 5.741 -4.764 1.00 0.00 H new ATOM 0 HB THR A 19 -2.611 7.993 -6.550 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.147 9.329 -5.316 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.226 9.015 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.038 7.452 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.616 7.554 -3.510 1.00 0.00 H new ATOM 288 N ALA A 20 -4.030 4.866 -5.745 1.00 0.00 N ATOM 289 CA ALA A 20 -5.215 4.188 -6.257 1.00 0.00 C ATOM 290 C ALA A 20 -6.448 4.687 -5.494 1.00 0.00 C ATOM 291 O ALA A 20 -6.319 5.274 -4.417 1.00 0.00 O ATOM 292 CB ALA A 20 -5.042 2.668 -6.140 1.00 0.00 C ATOM 0 H ALA A 20 -3.971 4.840 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.354 4.417 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.932 2.170 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.172 2.355 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.899 2.398 -5.094 1.00 0.00 H new ATOM 298 N GLU A 21 -7.635 4.447 -6.045 1.00 0.00 N ATOM 299 CA GLU A 21 -8.938 4.834 -5.506 1.00 0.00 C ATOM 300 C GLU A 21 -9.866 3.633 -5.712 1.00 0.00 C ATOM 301 O GLU A 21 -10.178 3.287 -6.855 1.00 0.00 O ATOM 302 CB GLU A 21 -9.485 6.052 -6.273 1.00 0.00 C ATOM 303 CG GLU A 21 -8.855 7.390 -5.860 1.00 0.00 C ATOM 304 CD GLU A 21 -9.565 8.049 -4.675 1.00 0.00 C ATOM 305 OE1 GLU A 21 -9.877 7.380 -3.668 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.840 9.268 -4.772 1.00 0.00 O ATOM 0 H GLU A 21 -7.719 3.948 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.864 5.105 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.320 5.900 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.563 6.109 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.808 7.228 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.873 8.071 -6.711 1.00 0.00 H new ATOM 313 N PHE A 22 -10.249 2.955 -4.636 1.00 0.00 N ATOM 314 CA PHE A 22 -11.128 1.787 -4.646 1.00 0.00 C ATOM 315 C PHE A 22 -12.551 2.255 -4.344 1.00 0.00 C ATOM 316 O PHE A 22 -12.717 3.202 -3.575 1.00 0.00 O ATOM 317 CB PHE A 22 -10.600 0.781 -3.616 1.00 0.00 C ATOM 318 CG PHE A 22 -9.222 0.268 -3.984 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.077 -0.663 -5.029 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.079 0.782 -3.346 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.800 -1.071 -5.449 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.803 0.364 -3.760 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.662 -0.547 -4.817 1.00 0.00 C ATOM 0 H PHE A 22 -9.946 3.212 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.144 1.290 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.562 1.253 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.292 -0.058 -3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.954 -1.067 -5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.182 1.495 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.695 -1.784 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.925 0.747 -3.261 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.677 -0.845 -5.145 1.00 0.00 H new ATOM 333 N GLN A 23 -13.571 1.654 -4.961 1.00 0.00 N ATOM 334 CA GLN A 23 -14.983 2.000 -4.799 1.00 0.00 C ATOM 335 C GLN A 23 -15.819 0.751 -4.547 1.00 0.00 C ATOM 336 O GLN A 23 -15.563 -0.309 -5.123 1.00 0.00 O ATOM 337 CB GLN A 23 -15.500 2.669 -6.082 1.00 0.00 C ATOM 338 CG GLN A 23 -14.875 4.032 -6.391 1.00 0.00 C ATOM 339 CD GLN A 23 -15.004 4.397 -7.867 1.00 0.00 C ATOM 340 OE1 GLN A 23 -16.057 4.254 -8.493 1.00 0.00 O ATOM 341 NE2 GLN A 23 -13.920 4.856 -8.468 1.00 0.00 N ATOM 0 H GLN A 23 -13.429 0.882 -5.613 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.070 2.676 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.315 2.001 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.580 2.790 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.357 4.798 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.822 4.020 -6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.054 4.970 -7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.949 5.096 -9.459 1.00 0.00 H new ATOM 350 N GLY A 24 -16.890 0.911 -3.774 1.00 0.00 N ATOM 351 CA GLY A 24 -17.810 -0.155 -3.415 1.00 0.00 C ATOM 352 C GLY A 24 -18.162 0.037 -1.952 1.00 0.00 C ATOM 353 O GLY A 24 -18.306 1.174 -1.507 1.00 0.00 O ATOM 0 H GLY A 24 -17.145 1.812 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.705 -0.117 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.352 -1.131 -3.577 1.00 0.00 H new ATOM 357 N THR A 25 -18.368 -1.051 -1.217 1.00 0.00 N ATOM 358 CA THR A 25 -18.681 -0.989 0.201 1.00 0.00 C ATOM 359 C THR A 25 -17.372 -1.022 1.013 1.00 0.00 C ATOM 360 O THR A 25 -16.276 -1.027 0.441 1.00 0.00 O ATOM 361 CB THR A 25 -19.703 -2.081 0.558 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.173 -3.385 0.415 1.00 0.00 O ATOM 363 CG2 THR A 25 -20.954 -1.987 -0.323 1.00 0.00 C ATOM 0 H THR A 25 -18.322 -1.999 -1.590 1.00 0.00 H new ATOM 0 HA THR A 25 -19.167 -0.049 0.464 1.00 0.00 H new ATOM 0 HB THR A 25 -19.960 -1.908 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.857 -4.044 0.654 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.655 -2.773 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.425 -1.014 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 25 -20.672 -2.107 -1.369 1.00 0.00 H new ATOM 371 N PHE A 26 -17.467 -1.044 2.346 1.00 0.00 N ATOM 372 CA PHE A 26 -16.324 -1.066 3.253 1.00 0.00 C ATOM 373 C PHE A 26 -15.395 -2.249 2.975 1.00 0.00 C ATOM 374 O PHE A 26 -14.247 -2.063 2.569 1.00 0.00 O ATOM 375 CB PHE A 26 -16.838 -1.112 4.699 1.00 0.00 C ATOM 376 CG PHE A 26 -15.776 -0.944 5.761 1.00 0.00 C ATOM 377 CD1 PHE A 26 -15.100 -2.058 6.294 1.00 0.00 C ATOM 378 CD2 PHE A 26 -15.472 0.343 6.230 1.00 0.00 C ATOM 379 CE1 PHE A 26 -14.113 -1.873 7.276 1.00 0.00 C ATOM 380 CE2 PHE A 26 -14.510 0.522 7.234 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.820 -0.584 7.748 1.00 0.00 C ATOM 0 H PHE A 26 -18.364 -1.047 2.832 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.738 -0.161 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.586 -0.330 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.343 -2.065 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.340 -3.053 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.982 1.200 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.578 -2.725 7.669 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -14.301 1.512 7.611 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.064 -0.445 8.506 1.00 0.00 H new ATOM 391 N GLU A 27 -15.906 -3.471 3.158 1.00 0.00 N ATOM 392 CA GLU A 27 -15.130 -4.688 2.959 1.00 0.00 C ATOM 393 C GLU A 27 -14.615 -4.830 1.527 1.00 0.00 C ATOM 394 O GLU A 27 -13.508 -5.341 1.340 1.00 0.00 O ATOM 395 CB GLU A 27 -15.954 -5.919 3.362 1.00 0.00 C ATOM 396 CG GLU A 27 -16.144 -6.054 4.887 1.00 0.00 C ATOM 397 CD GLU A 27 -16.975 -7.287 5.275 1.00 0.00 C ATOM 398 OE1 GLU A 27 -17.301 -8.111 4.393 1.00 0.00 O ATOM 399 OE2 GLU A 27 -17.464 -7.388 6.424 1.00 0.00 O ATOM 0 H GLU A 27 -16.869 -3.639 3.448 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.253 -4.617 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.932 -5.865 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.464 -6.816 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.167 -6.114 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.632 -5.157 5.269 1.00 0.00 H new ATOM 406 N GLN A 28 -15.405 -4.374 0.549 1.00 0.00 N ATOM 407 CA GLN A 28 -15.102 -4.420 -0.872 1.00 0.00 C ATOM 408 C GLN A 28 -13.806 -3.686 -1.193 1.00 0.00 C ATOM 409 O GLN A 28 -12.830 -4.309 -1.620 1.00 0.00 O ATOM 410 CB GLN A 28 -16.240 -3.752 -1.677 1.00 0.00 C ATOM 411 CG GLN A 28 -17.324 -4.689 -2.196 1.00 0.00 C ATOM 412 CD GLN A 28 -16.766 -5.759 -3.125 1.00 0.00 C ATOM 413 OE1 GLN A 28 -17.066 -6.935 -2.953 1.00 0.00 O ATOM 414 NE2 GLN A 28 -15.926 -5.401 -4.080 1.00 0.00 N ATOM 0 H GLN A 28 -16.310 -3.946 0.742 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.998 -5.470 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.710 -2.997 -1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.800 -3.230 -2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.822 -5.167 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -18.080 -4.109 -2.726 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.688 -4.417 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.515 -6.108 -4.689 1.00 0.00 H new ATOM 423 N ALA A 29 -13.839 -2.363 -1.011 1.00 0.00 N ATOM 424 CA ALA A 29 -12.731 -1.481 -1.304 1.00 0.00 C ATOM 425 C ALA A 29 -11.489 -1.831 -0.487 1.00 0.00 C ATOM 426 O ALA A 29 -10.389 -1.884 -1.035 1.00 0.00 O ATOM 427 CB ALA A 29 -13.192 -0.036 -1.090 1.00 0.00 C ATOM 0 H ALA A 29 -14.658 -1.876 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.430 -1.605 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.368 0.644 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.027 0.182 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.509 0.095 -0.055 1.00 0.00 H new ATOM 433 N THR A 30 -11.653 -2.118 0.804 1.00 0.00 N ATOM 434 CA THR A 30 -10.527 -2.458 1.667 1.00 0.00 C ATOM 435 C THR A 30 -9.859 -3.756 1.182 1.00 0.00 C ATOM 436 O THR A 30 -8.632 -3.815 1.078 1.00 0.00 O ATOM 437 CB THR A 30 -11.009 -2.542 3.122 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.791 -1.410 3.447 1.00 0.00 O ATOM 439 CG2 THR A 30 -9.847 -2.600 4.108 1.00 0.00 C ATOM 0 H THR A 30 -12.558 -2.121 1.274 1.00 0.00 H new ATOM 0 HA THR A 30 -9.765 -1.680 1.619 1.00 0.00 H new ATOM 0 HB THR A 30 -11.595 -3.458 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.739 -1.656 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.235 -2.659 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.238 -3.480 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.236 -1.703 4.004 1.00 0.00 H new ATOM 447 N SER A 31 -10.640 -4.795 0.856 1.00 0.00 N ATOM 448 CA SER A 31 -10.082 -6.054 0.387 1.00 0.00 C ATOM 449 C SER A 31 -9.428 -5.886 -0.988 1.00 0.00 C ATOM 450 O SER A 31 -8.413 -6.546 -1.232 1.00 0.00 O ATOM 451 CB SER A 31 -11.165 -7.134 0.402 1.00 0.00 C ATOM 452 OG SER A 31 -10.632 -8.424 0.163 1.00 0.00 O ATOM 0 H SER A 31 -11.658 -4.781 0.911 1.00 0.00 H new ATOM 0 HA SER A 31 -9.289 -6.375 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.673 -7.125 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.915 -6.906 -0.355 1.00 0.00 H new ATOM 0 HG SER A 31 -11.355 -9.085 0.182 1.00 0.00 H new ATOM 458 N GLU A 32 -9.969 -5.036 -1.875 1.00 0.00 N ATOM 459 CA GLU A 32 -9.354 -4.825 -3.184 1.00 0.00 C ATOM 460 C GLU A 32 -7.997 -4.164 -2.957 1.00 0.00 C ATOM 461 O GLU A 32 -7.022 -4.565 -3.586 1.00 0.00 O ATOM 462 CB GLU A 32 -10.206 -3.969 -4.136 1.00 0.00 C ATOM 463 CG GLU A 32 -11.202 -4.788 -4.973 1.00 0.00 C ATOM 464 CD GLU A 32 -11.273 -4.287 -6.420 1.00 0.00 C ATOM 465 OE1 GLU A 32 -12.011 -3.308 -6.673 1.00 0.00 O ATOM 466 OE2 GLU A 32 -10.592 -4.849 -7.314 1.00 0.00 O ATOM 0 H GLU A 32 -10.817 -4.494 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.256 -5.795 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.755 -3.230 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.546 -3.420 -4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.907 -5.837 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.191 -4.731 -4.519 1.00 0.00 H new ATOM 473 N ALA A 33 -7.901 -3.216 -2.016 1.00 0.00 N ATOM 474 CA ALA A 33 -6.648 -2.543 -1.718 1.00 0.00 C ATOM 475 C ALA A 33 -5.583 -3.568 -1.297 1.00 0.00 C ATOM 476 O ALA A 33 -4.426 -3.455 -1.716 1.00 0.00 O ATOM 477 CB ALA A 33 -6.875 -1.457 -0.662 1.00 0.00 C ATOM 0 H ALA A 33 -8.688 -2.902 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.273 -2.046 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.931 -0.958 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.593 -0.728 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.263 -1.911 0.250 1.00 0.00 H new ATOM 483 N TYR A 34 -5.952 -4.584 -0.502 1.00 0.00 N ATOM 484 CA TYR A 34 -4.991 -5.602 -0.084 1.00 0.00 C ATOM 485 C TYR A 34 -4.666 -6.535 -1.258 1.00 0.00 C ATOM 486 O TYR A 34 -3.547 -7.037 -1.340 1.00 0.00 O ATOM 487 CB TYR A 34 -5.545 -6.448 1.077 1.00 0.00 C ATOM 488 CG TYR A 34 -5.934 -5.717 2.351 1.00 0.00 C ATOM 489 CD1 TYR A 34 -5.116 -4.707 2.893 1.00 0.00 C ATOM 490 CD2 TYR A 34 -7.114 -6.081 3.025 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.511 -4.028 4.062 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.494 -5.436 4.211 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.696 -4.398 4.735 1.00 0.00 C ATOM 494 OH TYR A 34 -7.081 -3.758 5.875 1.00 0.00 O ATOM 0 H TYR A 34 -6.897 -4.717 -0.143 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.090 -5.087 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.422 -6.984 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.797 -7.198 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.184 -4.452 2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.736 -6.868 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.905 -3.221 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.397 -5.734 4.723 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.921 -4.145 6.199 1.00 0.00 H new ATOM 504 N ALA A 35 -5.600 -6.781 -2.184 1.00 0.00 N ATOM 505 CA ALA A 35 -5.372 -7.643 -3.342 1.00 0.00 C ATOM 506 C ALA A 35 -4.372 -6.961 -4.280 1.00 0.00 C ATOM 507 O ALA A 35 -3.402 -7.581 -4.725 1.00 0.00 O ATOM 508 CB ALA A 35 -6.695 -7.936 -4.063 1.00 0.00 C ATOM 0 H ALA A 35 -6.539 -6.384 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.960 -8.597 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.506 -8.579 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.379 -8.437 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.140 -7.000 -4.401 1.00 0.00 H new ATOM 514 N TYR A 36 -4.577 -5.664 -4.507 1.00 0.00 N ATOM 515 CA TYR A 36 -3.781 -4.794 -5.353 1.00 0.00 C ATOM 516 C TYR A 36 -2.333 -4.767 -4.890 1.00 0.00 C ATOM 517 O TYR A 36 -1.429 -4.869 -5.714 1.00 0.00 O ATOM 518 CB TYR A 36 -4.400 -3.396 -5.307 1.00 0.00 C ATOM 519 CG TYR A 36 -3.944 -2.440 -6.387 1.00 0.00 C ATOM 520 CD1 TYR A 36 -2.717 -1.750 -6.290 1.00 0.00 C ATOM 521 CD2 TYR A 36 -4.811 -2.183 -7.464 1.00 0.00 C ATOM 522 CE1 TYR A 36 -2.390 -0.772 -7.248 1.00 0.00 C ATOM 523 CE2 TYR A 36 -4.506 -1.175 -8.389 1.00 0.00 C ATOM 524 CZ TYR A 36 -3.314 -0.436 -8.261 1.00 0.00 C ATOM 525 OH TYR A 36 -3.068 0.607 -9.092 1.00 0.00 O ATOM 0 H TYR A 36 -5.355 -5.167 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.780 -5.165 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.484 -3.496 -5.370 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.177 -2.952 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.032 -1.971 -5.485 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.714 -2.764 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.431 -0.278 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.186 -0.965 -9.201 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.100 0.734 -9.180 1.00 0.00 H new ATOM 535 N ALA A 37 -2.097 -4.619 -3.583 1.00 0.00 N ATOM 536 CA ALA A 37 -0.746 -4.592 -3.042 1.00 0.00 C ATOM 537 C ALA A 37 -0.136 -6.003 -3.069 1.00 0.00 C ATOM 538 O ALA A 37 1.054 -6.167 -3.333 1.00 0.00 O ATOM 539 CB ALA A 37 -0.786 -4.000 -1.632 1.00 0.00 C ATOM 0 H ALA A 37 -2.831 -4.516 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.104 -3.960 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.222 -3.976 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.185 -2.987 -1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.424 -4.615 -0.997 1.00 0.00 H new ATOM 545 N ASP A 38 -0.935 -7.048 -2.824 1.00 0.00 N ATOM 546 CA ASP A 38 -0.475 -8.442 -2.833 1.00 0.00 C ATOM 547 C ASP A 38 0.035 -8.865 -4.218 1.00 0.00 C ATOM 548 O ASP A 38 0.965 -9.665 -4.305 1.00 0.00 O ATOM 549 CB ASP A 38 -1.592 -9.374 -2.350 1.00 0.00 C ATOM 550 CG ASP A 38 -1.153 -10.833 -2.234 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.099 -11.095 -1.606 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.920 -11.707 -2.697 1.00 0.00 O ATOM 0 H ASP A 38 -1.928 -6.949 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 38 0.366 -8.520 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.948 -9.030 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.434 -9.309 -3.039 1.00 0.00 H new ATOM 557 N THR A 39 -0.515 -8.289 -5.294 1.00 0.00 N ATOM 558 CA THR A 39 -0.133 -8.574 -6.681 1.00 0.00 C ATOM 559 C THR A 39 1.286 -8.063 -7.011 1.00 0.00 C ATOM 560 O THR A 39 1.867 -8.470 -8.016 1.00 0.00 O ATOM 561 CB THR A 39 -1.222 -7.988 -7.621 1.00 0.00 C ATOM 562 OG1 THR A 39 -1.570 -8.907 -8.636 1.00 0.00 O ATOM 563 CG2 THR A 39 -0.868 -6.673 -8.312 1.00 0.00 C ATOM 0 H THR A 39 -1.258 -7.594 -5.221 1.00 0.00 H new ATOM 0 HA THR A 39 -0.082 -9.652 -6.833 1.00 0.00 H new ATOM 0 HB THR A 39 -2.049 -7.787 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.258 -8.513 -9.212 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.700 -6.358 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.672 -5.908 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.021 -6.813 -8.927 1.00 0.00 H new ATOM 571 N LEU A 40 1.845 -7.177 -6.177 1.00 0.00 N ATOM 572 CA LEU A 40 3.173 -6.573 -6.330 1.00 0.00 C ATOM 573 C LEU A 40 4.130 -7.054 -5.227 1.00 0.00 C ATOM 574 O LEU A 40 5.298 -6.647 -5.190 1.00 0.00 O ATOM 575 CB LEU A 40 3.002 -5.039 -6.281 1.00 0.00 C ATOM 576 CG LEU A 40 2.335 -4.462 -7.550 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.481 -3.232 -7.225 1.00 0.00 C ATOM 578 CD2 LEU A 40 3.377 -4.073 -8.600 1.00 0.00 C ATOM 0 H LEU A 40 1.362 -6.848 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 40 3.612 -6.873 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.402 -4.774 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.979 -4.575 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 40 1.695 -5.249 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.027 -2.852 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.698 -3.509 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.110 -2.459 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.875 -3.671 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.045 -3.318 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.955 -4.953 -8.883 1.00 0.00 H new ATOM 590 N LYS A 41 3.641 -7.888 -4.303 1.00 0.00 N ATOM 591 CA LYS A 41 4.346 -8.456 -3.165 1.00 0.00 C ATOM 592 C LYS A 41 5.180 -9.658 -3.604 1.00 0.00 C ATOM 593 O LYS A 41 4.978 -10.778 -3.125 1.00 0.00 O ATOM 594 CB LYS A 41 3.312 -8.799 -2.078 1.00 0.00 C ATOM 595 CG LYS A 41 3.964 -8.926 -0.697 1.00 0.00 C ATOM 596 CD LYS A 41 3.020 -9.502 0.359 1.00 0.00 C ATOM 597 CE LYS A 41 2.821 -11.007 0.148 1.00 0.00 C ATOM 598 NZ LYS A 41 2.457 -11.676 1.410 1.00 0.00 N ATOM 0 H LYS A 41 2.671 -8.202 -4.340 1.00 0.00 H new ATOM 0 HA LYS A 41 5.052 -7.740 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.544 -8.026 -2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.813 -9.734 -2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.845 -9.563 -0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.308 -7.944 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.426 -9.320 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.058 -8.993 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.040 -11.173 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.736 -11.446 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.328 -12.694 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.215 -11.536 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.571 -11.271 1.774 1.00 0.00 H new ATOM 612 N GLN A 42 6.067 -9.436 -4.567 1.00 0.00 N ATOM 613 CA GLN A 42 6.974 -10.433 -5.098 1.00 0.00 C ATOM 614 C GLN A 42 8.207 -9.691 -5.608 1.00 0.00 C ATOM 615 O GLN A 42 9.315 -9.919 -5.128 1.00 0.00 O ATOM 616 CB GLN A 42 6.272 -11.276 -6.165 1.00 0.00 C ATOM 617 CG GLN A 42 7.097 -12.508 -6.544 1.00 0.00 C ATOM 618 CD GLN A 42 6.336 -13.418 -7.500 1.00 0.00 C ATOM 619 OE1 GLN A 42 6.697 -13.572 -8.661 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.273 -14.054 -7.035 1.00 0.00 N ATOM 0 H GLN A 42 6.174 -8.524 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 42 7.291 -11.146 -4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.296 -11.591 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.097 -10.668 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.032 -12.193 -7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.359 -13.063 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.981 -13.919 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.746 -14.679 -7.644 1.00 0.00 H new ATOM 629 N ASP A 43 8.025 -8.751 -6.542 1.00 0.00 N ATOM 630 CA ASP A 43 9.140 -7.969 -7.087 1.00 0.00 C ATOM 631 C ASP A 43 9.587 -6.872 -6.130 1.00 0.00 C ATOM 632 O ASP A 43 10.716 -6.391 -6.229 1.00 0.00 O ATOM 633 CB ASP A 43 8.736 -7.262 -8.391 1.00 0.00 C ATOM 634 CG ASP A 43 8.794 -8.186 -9.596 1.00 0.00 C ATOM 635 OD1 ASP A 43 9.904 -8.400 -10.141 1.00 0.00 O ATOM 636 OD2 ASP A 43 7.725 -8.669 -10.022 1.00 0.00 O ATOM 0 H ASP A 43 7.115 -8.513 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 43 9.946 -8.684 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.725 -6.867 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.395 -6.410 -8.558 1.00 0.00 H new ATOM 641 N ASN A 44 8.719 -6.477 -5.196 1.00 0.00 N ATOM 642 CA ASN A 44 9.003 -5.400 -4.258 1.00 0.00 C ATOM 643 C ASN A 44 9.303 -5.851 -2.842 1.00 0.00 C ATOM 644 O ASN A 44 10.193 -5.267 -2.223 1.00 0.00 O ATOM 645 CB ASN A 44 7.814 -4.441 -4.248 1.00 0.00 C ATOM 646 CG ASN A 44 7.635 -3.789 -5.602 1.00 0.00 C ATOM 647 OD1 ASN A 44 8.364 -2.864 -5.946 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.696 -4.271 -6.402 1.00 0.00 N ATOM 0 H ASN A 44 7.799 -6.899 -5.072 1.00 0.00 H new ATOM 0 HA ASN A 44 9.916 -4.918 -4.607 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.907 -4.982 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.966 -3.675 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.564 -3.872 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.105 -5.041 -6.089 1.00 0.00 H new ATOM 655 N GLY A 45 8.604 -6.861 -2.328 1.00 0.00 N ATOM 656 CA GLY A 45 8.810 -7.347 -0.973 1.00 0.00 C ATOM 657 C GLY A 45 7.527 -7.226 -0.169 1.00 0.00 C ATOM 658 O GLY A 45 6.494 -6.787 -0.684 1.00 0.00 O ATOM 0 H GLY A 45 7.880 -7.363 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.135 -8.387 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.604 -6.776 -0.491 1.00 0.00 H new ATOM 662 N GLU A 46 7.587 -7.627 1.098 1.00 0.00 N ATOM 663 CA GLU A 46 6.452 -7.548 1.993 1.00 0.00 C ATOM 664 C GLU A 46 6.092 -6.082 2.229 1.00 0.00 C ATOM 665 O GLU A 46 6.921 -5.178 2.059 1.00 0.00 O ATOM 666 CB GLU A 46 6.728 -8.275 3.318 1.00 0.00 C ATOM 667 CG GLU A 46 7.812 -7.663 4.219 1.00 0.00 C ATOM 668 CD GLU A 46 7.843 -8.378 5.572 1.00 0.00 C ATOM 669 OE1 GLU A 46 8.290 -9.548 5.648 1.00 0.00 O ATOM 670 OE2 GLU A 46 7.352 -7.820 6.576 1.00 0.00 O ATOM 0 H GLU A 46 8.427 -8.015 1.527 1.00 0.00 H new ATOM 0 HA GLU A 46 5.604 -8.051 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.798 -8.319 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.012 -9.303 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.785 -7.744 3.735 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.616 -6.601 4.366 1.00 0.00 H new ATOM 677 N TRP A 47 4.859 -5.850 2.668 1.00 0.00 N ATOM 678 CA TRP A 47 4.344 -4.526 2.954 1.00 0.00 C ATOM 679 C TRP A 47 3.506 -4.556 4.219 1.00 0.00 C ATOM 680 O TRP A 47 3.054 -5.618 4.661 1.00 0.00 O ATOM 681 CB TRP A 47 3.536 -4.005 1.757 1.00 0.00 C ATOM 682 CG TRP A 47 2.467 -4.901 1.206 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.613 -5.677 0.112 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.084 -5.086 1.642 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.432 -6.333 -0.159 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.462 -6.031 0.771 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.281 -4.544 2.669 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.873 -6.432 0.927 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -1.068 -4.919 2.819 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.644 -5.864 1.952 1.00 0.00 C ATOM 0 H TRP A 47 4.182 -6.594 2.836 1.00 0.00 H new ATOM 0 HA TRP A 47 5.176 -3.842 3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.070 -3.064 2.049 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.235 -3.779 0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.521 -5.770 -0.466 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.293 -6.963 -0.949 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.710 -3.827 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.302 -7.170 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.664 -4.478 3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.678 -6.152 2.075 1.00 0.00 H new ATOM 701 N THR A 48 3.288 -3.377 4.777 1.00 0.00 N ATOM 702 CA THR A 48 2.496 -3.133 5.964 1.00 0.00 C ATOM 703 C THR A 48 1.487 -2.056 5.575 1.00 0.00 C ATOM 704 O THR A 48 1.637 -1.393 4.539 1.00 0.00 O ATOM 705 CB THR A 48 3.391 -2.790 7.168 1.00 0.00 C ATOM 706 OG1 THR A 48 4.434 -1.887 6.833 1.00 0.00 O ATOM 707 CG2 THR A 48 4.034 -4.073 7.706 1.00 0.00 C ATOM 0 H THR A 48 3.682 -2.519 4.390 1.00 0.00 H new ATOM 0 HA THR A 48 1.953 -4.015 6.303 1.00 0.00 H new ATOM 0 HB THR A 48 2.752 -2.317 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.973 -1.699 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.668 -3.832 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.254 -4.767 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.637 -4.533 6.924 1.00 0.00 H new ATOM 715 N VAL A 49 0.439 -1.899 6.375 1.00 0.00 N ATOM 716 CA VAL A 49 -0.605 -0.934 6.106 1.00 0.00 C ATOM 717 C VAL A 49 -0.991 -0.215 7.394 1.00 0.00 C ATOM 718 O VAL A 49 -0.742 -0.703 8.499 1.00 0.00 O ATOM 719 CB VAL A 49 -1.768 -1.669 5.393 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.312 -2.854 6.213 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.930 -0.745 4.995 1.00 0.00 C ATOM 0 H VAL A 49 0.295 -2.440 7.227 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.272 -0.144 5.433 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.320 -2.052 4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.125 -3.332 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.514 -3.577 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.683 -2.493 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.707 -1.329 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.342 -0.274 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.566 0.024 4.314 1.00 0.00 H new ATOM 731 N ASP A 50 -1.561 0.973 7.240 1.00 0.00 N ATOM 732 CA ASP A 50 -2.049 1.838 8.296 1.00 0.00 C ATOM 733 C ASP A 50 -3.371 2.394 7.778 1.00 0.00 C ATOM 734 O ASP A 50 -3.419 2.937 6.671 1.00 0.00 O ATOM 735 CB ASP A 50 -1.072 2.965 8.657 1.00 0.00 C ATOM 736 CG ASP A 50 -1.748 3.936 9.617 1.00 0.00 C ATOM 737 OD1 ASP A 50 -2.238 3.479 10.673 1.00 0.00 O ATOM 738 OD2 ASP A 50 -1.826 5.143 9.297 1.00 0.00 O ATOM 0 H ASP A 50 -1.702 1.380 6.315 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.167 1.278 9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.174 2.550 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.756 3.489 7.755 1.00 0.00 H new ATOM 743 N VAL A 51 -4.449 2.145 8.514 1.00 0.00 N ATOM 744 CA VAL A 51 -5.795 2.596 8.199 1.00 0.00 C ATOM 745 C VAL A 51 -5.928 3.981 8.833 1.00 0.00 C ATOM 746 O VAL A 51 -5.580 4.155 10.005 1.00 0.00 O ATOM 747 CB VAL A 51 -6.822 1.588 8.762 1.00 0.00 C ATOM 748 CG1 VAL A 51 -8.257 1.991 8.408 1.00 0.00 C ATOM 749 CG2 VAL A 51 -6.575 0.159 8.242 1.00 0.00 C ATOM 0 H VAL A 51 -4.405 1.604 9.377 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.982 2.657 7.127 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.692 1.602 9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.952 1.260 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.473 2.974 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.368 2.027 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.320 -0.516 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.651 0.149 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.579 -0.169 8.539 1.00 0.00 H new ATOM 759 N ALA A 52 -6.397 4.973 8.076 1.00 0.00 N ATOM 760 CA ALA A 52 -6.575 6.339 8.537 1.00 0.00 C ATOM 761 C ALA A 52 -7.848 6.947 7.942 1.00 0.00 C ATOM 762 O ALA A 52 -8.501 6.357 7.078 1.00 0.00 O ATOM 763 CB ALA A 52 -5.337 7.160 8.142 1.00 0.00 C ATOM 0 H ALA A 52 -6.669 4.840 7.102 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.684 6.349 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.458 8.188 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.450 6.727 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.223 7.148 7.058 1.00 0.00 H new ATOM 769 N ASP A 53 -8.164 8.159 8.403 1.00 0.00 N ATOM 770 CA ASP A 53 -9.307 8.991 8.017 1.00 0.00 C ATOM 771 C ASP A 53 -10.600 8.180 7.978 1.00 0.00 C ATOM 772 O ASP A 53 -11.177 7.957 6.918 1.00 0.00 O ATOM 773 CB ASP A 53 -9.003 9.730 6.701 1.00 0.00 C ATOM 774 CG ASP A 53 -9.572 11.145 6.704 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.640 11.395 7.298 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.853 12.046 6.202 1.00 0.00 O ATOM 0 H ASP A 53 -7.586 8.618 9.107 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.468 9.755 8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.925 9.772 6.548 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.422 9.171 5.864 1.00 0.00 H new ATOM 781 N GLN A 54 -11.026 7.670 9.140 1.00 0.00 N ATOM 782 CA GLN A 54 -12.232 6.846 9.319 1.00 0.00 C ATOM 783 C GLN A 54 -12.235 5.553 8.474 1.00 0.00 C ATOM 784 O GLN A 54 -13.199 4.781 8.531 1.00 0.00 O ATOM 785 CB GLN A 54 -13.497 7.693 9.068 1.00 0.00 C ATOM 786 CG GLN A 54 -13.743 8.761 10.141 1.00 0.00 C ATOM 787 CD GLN A 54 -14.176 8.137 11.462 1.00 0.00 C ATOM 788 OE1 GLN A 54 -15.165 7.413 11.527 1.00 0.00 O ATOM 789 NE2 GLN A 54 -13.480 8.404 12.550 1.00 0.00 N ATOM 0 H GLN A 54 -10.524 7.824 10.014 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.229 6.507 10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.412 8.179 8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -14.363 7.033 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.833 9.342 10.293 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.510 9.454 9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.658 9.006 12.495 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.763 8.009 13.447 1.00 0.00 H new ATOM 798 N GLY A 55 -11.150 5.262 7.753 1.00 0.00 N ATOM 799 CA GLY A 55 -10.989 4.108 6.891 1.00 0.00 C ATOM 800 C GLY A 55 -10.964 4.489 5.417 1.00 0.00 C ATOM 801 O GLY A 55 -10.857 3.589 4.584 1.00 0.00 O ATOM 0 H GLY A 55 -10.324 5.860 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.063 3.592 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.804 3.407 7.069 1.00 0.00 H new ATOM 805 N TYR A 56 -11.081 5.773 5.065 1.00 0.00 N ATOM 806 CA TYR A 56 -11.087 6.210 3.673 1.00 0.00 C ATOM 807 C TYR A 56 -9.680 6.471 3.134 1.00 0.00 C ATOM 808 O TYR A 56 -9.523 6.632 1.923 1.00 0.00 O ATOM 809 CB TYR A 56 -11.981 7.452 3.524 1.00 0.00 C ATOM 810 CG TYR A 56 -13.382 7.298 4.097 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.272 6.351 3.556 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.781 8.072 5.203 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.543 6.168 4.129 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.049 7.891 5.785 1.00 0.00 C ATOM 815 CZ TYR A 56 -15.934 6.928 5.252 1.00 0.00 C ATOM 816 OH TYR A 56 -17.167 6.754 5.803 1.00 0.00 O ATOM 0 H TYR A 56 -11.174 6.534 5.738 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.496 5.399 3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.493 8.295 4.014 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.061 7.701 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.978 5.764 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.107 8.812 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.223 5.442 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.345 8.486 6.636 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.271 7.356 6.569 1.00 0.00 H new ATOM 826 N THR A 57 -8.651 6.469 3.984 1.00 0.00 N ATOM 827 CA THR A 57 -7.275 6.698 3.578 1.00 0.00 C ATOM 828 C THR A 57 -6.439 5.503 4.022 1.00 0.00 C ATOM 829 O THR A 57 -6.303 5.232 5.216 1.00 0.00 O ATOM 830 CB THR A 57 -6.759 8.022 4.161 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.608 9.086 3.778 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.337 8.346 3.686 1.00 0.00 C ATOM 0 H THR A 57 -8.758 6.306 4.985 1.00 0.00 H new ATOM 0 HA THR A 57 -7.203 6.789 2.494 1.00 0.00 H new ATOM 0 HB THR A 57 -6.749 7.907 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.272 9.925 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.014 9.291 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.659 7.551 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.326 8.427 2.599 1.00 0.00 H new ATOM 840 N LEU A 58 -5.905 4.764 3.055 1.00 0.00 N ATOM 841 CA LEU A 58 -5.062 3.604 3.279 1.00 0.00 C ATOM 842 C LEU A 58 -3.638 4.019 2.952 1.00 0.00 C ATOM 843 O LEU A 58 -3.347 4.579 1.891 1.00 0.00 O ATOM 844 CB LEU A 58 -5.528 2.399 2.447 1.00 0.00 C ATOM 845 CG LEU A 58 -6.791 1.737 3.029 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.240 0.587 2.126 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.544 1.205 4.445 1.00 0.00 C ATOM 0 H LEU A 58 -6.054 4.965 2.066 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.123 3.276 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.728 2.722 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.725 1.663 2.397 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.571 2.496 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.134 0.124 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.462 0.972 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.444 -0.155 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.456 0.744 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.746 0.463 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.254 2.029 5.098 1.00 0.00 H new ATOM 859 N ASN A 59 -2.744 3.740 3.887 1.00 0.00 N ATOM 860 CA ASN A 59 -1.326 4.042 3.827 1.00 0.00 C ATOM 861 C ASN A 59 -0.631 2.695 3.696 1.00 0.00 C ATOM 862 O ASN A 59 -0.666 1.932 4.659 1.00 0.00 O ATOM 863 CB ASN A 59 -0.942 4.712 5.154 1.00 0.00 C ATOM 864 CG ASN A 59 -1.654 6.028 5.429 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.844 6.859 4.544 1.00 0.00 O ATOM 866 ND2 ASN A 59 -2.091 6.237 6.661 1.00 0.00 N ATOM 0 H ASN A 59 -3.004 3.271 4.755 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.054 4.702 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.156 4.021 5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.134 4.888 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.592 7.096 6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.926 5.539 7.386 1.00 0.00 H new ATOM 873 N ILE A 60 -0.020 2.356 2.561 1.00 0.00 N ATOM 874 CA ILE A 60 0.657 1.074 2.346 1.00 0.00 C ATOM 875 C ILE A 60 2.117 1.362 1.996 1.00 0.00 C ATOM 876 O ILE A 60 2.396 2.134 1.077 1.00 0.00 O ATOM 877 CB ILE A 60 -0.060 0.263 1.239 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.560 0.055 1.560 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.626 -1.103 1.031 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.357 -0.534 0.394 1.00 0.00 C ATOM 0 H ILE A 60 0.020 2.974 1.750 1.00 0.00 H new ATOM 0 HA ILE A 60 0.623 0.464 3.248 1.00 0.00 H new ATOM 0 HB ILE A 60 0.012 0.843 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.651 -0.605 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.999 1.012 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.106 -1.656 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.664 -0.948 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.594 -1.672 1.960 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.400 -0.653 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.297 0.136 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.943 -1.506 0.125 1.00 0.00 H new ATOM 892 N GLN A 61 3.054 0.741 2.714 1.00 0.00 N ATOM 893 CA GLN A 61 4.487 0.915 2.504 1.00 0.00 C ATOM 894 C GLN A 61 5.146 -0.457 2.431 1.00 0.00 C ATOM 895 O GLN A 61 4.824 -1.334 3.237 1.00 0.00 O ATOM 896 CB GLN A 61 5.084 1.746 3.649 1.00 0.00 C ATOM 897 CG GLN A 61 6.508 2.238 3.327 1.00 0.00 C ATOM 898 CD GLN A 61 7.347 2.502 4.575 1.00 0.00 C ATOM 899 OE1 GLN A 61 6.840 2.645 5.685 1.00 0.00 O ATOM 900 NE2 GLN A 61 8.662 2.460 4.459 1.00 0.00 N ATOM 0 H GLN A 61 2.832 0.093 3.470 1.00 0.00 H new ATOM 0 HA GLN A 61 4.666 1.446 1.569 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.441 2.603 3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.105 1.146 4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.011 1.495 2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.445 3.153 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.089 2.341 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.250 2.546 5.288 1.00 0.00 H new ATOM 909 N PHE A 62 6.057 -0.651 1.479 1.00 0.00 N ATOM 910 CA PHE A 62 6.786 -1.899 1.284 1.00 0.00 C ATOM 911 C PHE A 62 8.148 -1.796 1.969 1.00 0.00 C ATOM 912 O PHE A 62 8.774 -0.729 1.961 1.00 0.00 O ATOM 913 CB PHE A 62 6.974 -2.184 -0.212 1.00 0.00 C ATOM 914 CG PHE A 62 5.737 -2.659 -0.965 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.537 -1.919 -0.987 1.00 0.00 C ATOM 916 CD2 PHE A 62 5.793 -3.877 -1.665 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.421 -2.391 -1.699 1.00 0.00 C ATOM 918 CE2 PHE A 62 4.691 -4.330 -2.410 1.00 0.00 C ATOM 919 CZ PHE A 62 3.500 -3.590 -2.425 1.00 0.00 C ATOM 0 H PHE A 62 6.313 0.073 0.808 1.00 0.00 H new ATOM 0 HA PHE A 62 6.215 -2.718 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.339 -1.276 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.753 -2.938 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.475 -0.982 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.694 -4.472 -1.630 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.499 -1.829 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.761 -5.250 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.649 -3.940 -2.991 1.00 0.00 H new ATOM 929 N ALA A 63 8.604 -2.907 2.550 1.00 0.00 N ATOM 930 CA ALA A 63 9.886 -2.998 3.232 1.00 0.00 C ATOM 931 C ALA A 63 10.988 -3.205 2.201 1.00 0.00 C ATOM 932 O ALA A 63 11.837 -2.334 2.030 1.00 0.00 O ATOM 933 CB ALA A 63 9.882 -4.140 4.257 1.00 0.00 C ATOM 0 H ALA A 63 8.080 -3.782 2.557 1.00 0.00 H new ATOM 0 HA ALA A 63 10.068 -2.070 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.851 -4.187 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.103 -3.961 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.688 -5.085 3.749 1.00 0.00 H new ATOM 939 N GLY A 64 10.965 -4.343 1.509 1.00 0.00 N ATOM 940 CA GLY A 64 11.954 -4.700 0.507 1.00 0.00 C ATOM 941 C GLY A 64 12.050 -6.214 0.355 1.00 0.00 C ATOM 942 O GLY A 64 11.466 -6.962 1.150 1.00 0.00 O ATOM 0 H GLY A 64 10.243 -5.052 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.688 -4.250 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.926 -4.296 0.789 1.00 0.00 H new TER 946 GLY A 64