USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 177:sc= 0 (180deg=-0.0028) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.197 K(o=0.2,f=-1.5) USER MOD Single : A 51 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 57 MET CE :methyl -177:sc= 0 (180deg=-0.006) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.487 -30.479 -7.776 1.00 0.00 N ATOM 2 CA MET A 1 13.326 -30.997 -6.674 1.00 0.00 C ATOM 3 C MET A 1 12.738 -30.649 -5.276 1.00 0.00 C ATOM 4 O MET A 1 12.360 -29.503 -5.015 1.00 0.00 O ATOM 5 CB MET A 1 14.795 -30.556 -6.882 1.00 0.00 C ATOM 6 CG MET A 1 15.142 -29.063 -6.690 1.00 0.00 C ATOM 7 SD MET A 1 16.900 -28.784 -6.991 1.00 0.00 S ATOM 8 CE MET A 1 16.924 -28.542 -8.779 1.00 0.00 C ATOM 0 H1 MET A 1 12.916 -30.734 -8.688 1.00 0.00 H new ATOM 0 H2 MET A 1 11.536 -30.894 -7.713 1.00 0.00 H new ATOM 0 H3 MET A 1 12.418 -29.444 -7.703 1.00 0.00 H new ATOM 0 HA MET A 1 13.321 -32.087 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.416 -31.133 -6.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.088 -30.839 -7.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.548 -28.454 -7.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.885 -28.750 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.947 -28.359 -9.108 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.538 -29.434 -9.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.301 -27.686 -9.039 1.00 0.00 H new ATOM 19 N GLU A 2 12.687 -31.645 -4.365 1.00 0.00 N ATOM 20 CA GLU A 2 12.262 -31.478 -2.949 1.00 0.00 C ATOM 21 C GLU A 2 10.779 -31.010 -2.805 1.00 0.00 C ATOM 22 O GLU A 2 10.499 -29.876 -2.409 1.00 0.00 O ATOM 23 CB GLU A 2 13.296 -30.654 -2.128 1.00 0.00 C ATOM 24 CG GLU A 2 14.667 -31.306 -1.822 1.00 0.00 C ATOM 25 CD GLU A 2 15.657 -31.340 -2.991 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.283 -30.359 -3.382 1.00 0.00 O ATOM 27 OE2 GLU A 2 15.764 -32.586 -3.546 1.00 0.00 O ATOM 0 H GLU A 2 12.943 -32.606 -4.592 1.00 0.00 H new ATOM 0 HA GLU A 2 12.261 -32.467 -2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.481 -29.723 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.833 -30.389 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.128 -30.769 -0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.496 -32.328 -1.483 1.00 0.00 H new ATOM 35 N ASN A 3 9.838 -31.916 -3.131 1.00 0.00 N ATOM 36 CA ASN A 3 8.379 -31.589 -3.210 1.00 0.00 C ATOM 37 C ASN A 3 7.674 -31.028 -1.931 1.00 0.00 C ATOM 38 O ASN A 3 6.807 -30.158 -2.035 1.00 0.00 O ATOM 39 CB ASN A 3 7.648 -32.811 -3.833 1.00 0.00 C ATOM 40 CG ASN A 3 6.226 -32.526 -4.345 1.00 0.00 C ATOM 41 OD1 ASN A 3 6.027 -31.801 -5.315 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.208 -33.079 -3.715 1.00 0.00 N ATOM 0 H ASN A 3 10.052 -32.890 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 3 8.306 -30.709 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.247 -33.190 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.597 -33.604 -3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.255 -32.904 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.374 -33.682 -2.909 1.00 0.00 H new ATOM 49 N LEU A 4 8.089 -31.490 -0.747 1.00 0.00 N ATOM 50 CA LEU A 4 7.682 -30.892 0.561 1.00 0.00 C ATOM 51 C LEU A 4 8.124 -29.402 0.753 1.00 0.00 C ATOM 52 O LEU A 4 7.276 -28.566 1.072 1.00 0.00 O ATOM 53 CB LEU A 4 8.157 -31.786 1.745 1.00 0.00 C ATOM 54 CG LEU A 4 7.568 -33.222 1.845 1.00 0.00 C ATOM 55 CD1 LEU A 4 8.305 -34.029 2.931 1.00 0.00 C ATOM 56 CD2 LEU A 4 6.054 -33.232 2.137 1.00 0.00 C ATOM 0 H LEU A 4 8.717 -32.288 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 4 6.592 -30.863 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.242 -31.871 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.927 -31.263 2.674 1.00 0.00 H new ATOM 0 HG LEU A 4 7.715 -33.684 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.882 -35.032 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.363 -34.096 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.192 -33.531 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.701 -34.262 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.863 -32.729 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.526 -32.712 1.338 1.00 0.00 H new ATOM 68 N ASN A 5 9.407 -29.058 0.507 1.00 0.00 N ATOM 69 CA ASN A 5 9.873 -27.642 0.416 1.00 0.00 C ATOM 70 C ASN A 5 9.177 -26.760 -0.681 1.00 0.00 C ATOM 71 O ASN A 5 8.878 -25.595 -0.406 1.00 0.00 O ATOM 72 CB ASN A 5 11.423 -27.673 0.273 1.00 0.00 C ATOM 73 CG ASN A 5 12.129 -26.315 0.420 1.00 0.00 C ATOM 74 OD1 ASN A 5 12.402 -25.624 -0.557 1.00 0.00 O ATOM 75 ND2 ASN A 5 12.441 -25.897 1.632 1.00 0.00 N ATOM 0 H ASN A 5 10.150 -29.743 0.366 1.00 0.00 H new ATOM 0 HA ASN A 5 9.572 -27.132 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.826 -28.355 1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.672 -28.088 -0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.909 -24.999 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.214 -26.471 2.444 1.00 0.00 H new ATOM 82 N MET A 6 8.901 -27.299 -1.885 1.00 0.00 N ATOM 83 CA MET A 6 8.155 -26.588 -2.962 1.00 0.00 C ATOM 84 C MET A 6 6.665 -26.275 -2.621 1.00 0.00 C ATOM 85 O MET A 6 6.240 -25.138 -2.825 1.00 0.00 O ATOM 86 CB MET A 6 8.267 -27.387 -4.290 1.00 0.00 C ATOM 87 CG MET A 6 9.684 -27.495 -4.882 1.00 0.00 C ATOM 88 SD MET A 6 10.264 -25.878 -5.434 1.00 0.00 S ATOM 89 CE MET A 6 11.929 -26.306 -5.974 1.00 0.00 C ATOM 0 H MET A 6 9.187 -28.243 -2.146 1.00 0.00 H new ATOM 0 HA MET A 6 8.627 -25.612 -3.069 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.885 -28.394 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.618 -26.920 -5.030 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.367 -27.897 -4.134 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.682 -28.193 -5.720 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.431 -25.413 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.491 -26.714 -5.133 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.874 -27.050 -6.768 1.00 0.00 H new ATOM 99 N ASP A 7 5.901 -27.241 -2.071 1.00 0.00 N ATOM 100 CA ASP A 7 4.543 -27.002 -1.506 1.00 0.00 C ATOM 101 C ASP A 7 4.484 -26.058 -0.257 1.00 0.00 C ATOM 102 O ASP A 7 3.523 -25.295 -0.120 1.00 0.00 O ATOM 103 CB ASP A 7 3.833 -28.351 -1.209 1.00 0.00 C ATOM 104 CG ASP A 7 3.453 -29.196 -2.433 1.00 0.00 C ATOM 105 OD1 ASP A 7 3.857 -30.340 -2.622 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.595 -28.541 -3.274 1.00 0.00 O ATOM 0 H ASP A 7 6.203 -28.213 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 7 4.010 -26.457 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.483 -28.947 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.927 -28.144 -0.640 1.00 0.00 H new ATOM 112 N LEU A 8 5.509 -26.075 0.621 1.00 0.00 N ATOM 113 CA LEU A 8 5.698 -25.044 1.678 1.00 0.00 C ATOM 114 C LEU A 8 5.962 -23.601 1.131 1.00 0.00 C ATOM 115 O LEU A 8 5.262 -22.671 1.539 1.00 0.00 O ATOM 116 CB LEU A 8 6.795 -25.492 2.689 1.00 0.00 C ATOM 117 CG LEU A 8 6.437 -26.671 3.638 1.00 0.00 C ATOM 118 CD1 LEU A 8 7.704 -27.229 4.311 1.00 0.00 C ATOM 119 CD2 LEU A 8 5.411 -26.275 4.719 1.00 0.00 C ATOM 0 H LEU A 8 6.229 -26.798 0.622 1.00 0.00 H new ATOM 0 HA LEU A 8 4.745 -24.969 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.685 -25.770 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.063 -24.632 3.303 1.00 0.00 H new ATOM 0 HG LEU A 8 5.980 -27.440 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.433 -28.053 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.394 -27.588 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.184 -26.442 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.199 -27.136 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.818 -25.468 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.490 -25.940 4.241 1.00 0.00 H new ATOM 131 N LEU A 9 6.921 -23.423 0.195 1.00 0.00 N ATOM 132 CA LEU A 9 7.170 -22.136 -0.517 1.00 0.00 C ATOM 133 C LEU A 9 5.933 -21.553 -1.278 1.00 0.00 C ATOM 134 O LEU A 9 5.564 -20.401 -1.053 1.00 0.00 O ATOM 135 CB LEU A 9 8.391 -22.342 -1.465 1.00 0.00 C ATOM 136 CG LEU A 9 9.111 -21.051 -1.942 1.00 0.00 C ATOM 137 CD1 LEU A 9 9.955 -20.401 -0.828 1.00 0.00 C ATOM 138 CD2 LEU A 9 10.002 -21.347 -3.161 1.00 0.00 C ATOM 0 H LEU A 9 7.552 -24.170 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 9 7.383 -21.377 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.119 -22.972 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.054 -22.892 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 9 8.331 -20.343 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.437 -19.503 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.310 -20.136 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.716 -21.105 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.498 -20.430 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.752 -22.090 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.388 -21.730 -3.976 1.00 0.00 H new ATOM 150 N TYR A 10 5.290 -22.380 -2.123 1.00 0.00 N ATOM 151 CA TYR A 10 3.927 -22.175 -2.689 1.00 0.00 C ATOM 152 C TYR A 10 2.887 -21.550 -1.726 1.00 0.00 C ATOM 153 O TYR A 10 2.506 -20.388 -1.915 1.00 0.00 O ATOM 154 CB TYR A 10 3.515 -23.595 -3.225 1.00 0.00 C ATOM 155 CG TYR A 10 2.180 -23.921 -3.937 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.036 -23.112 -3.898 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.087 -25.188 -4.532 1.00 0.00 C ATOM 158 CE1 TYR A 10 -0.173 -23.574 -4.401 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.886 -25.630 -5.080 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.245 -24.822 -5.010 1.00 0.00 C ATOM 161 OH TYR A 10 -1.436 -25.257 -5.527 1.00 0.00 O ATOM 0 H TYR A 10 5.716 -23.248 -2.449 1.00 0.00 H new ATOM 0 HA TYR A 10 3.949 -21.419 -3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.304 -23.895 -3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.569 -24.266 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.095 -22.121 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.957 -25.828 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.059 -22.963 -4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.832 -26.597 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.317 -26.148 -5.918 1.00 0.00 H new ATOM 171 N MET A 11 2.396 -22.330 -0.746 1.00 0.00 N ATOM 172 CA MET A 11 1.224 -21.932 0.053 1.00 0.00 C ATOM 173 C MET A 11 1.511 -20.765 1.046 1.00 0.00 C ATOM 174 O MET A 11 0.698 -19.845 1.125 1.00 0.00 O ATOM 175 CB MET A 11 0.600 -23.188 0.716 1.00 0.00 C ATOM 176 CG MET A 11 -0.878 -23.028 1.115 1.00 0.00 C ATOM 177 SD MET A 11 -1.911 -22.956 -0.370 1.00 0.00 S ATOM 178 CE MET A 11 -2.490 -21.248 -0.345 1.00 0.00 C ATOM 0 H MET A 11 2.791 -23.235 -0.490 1.00 0.00 H new ATOM 0 HA MET A 11 0.480 -21.505 -0.620 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.689 -24.029 0.028 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.178 -23.440 1.605 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.187 -23.863 1.744 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.009 -22.120 1.704 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.092 -21.055 -1.233 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.094 -21.082 0.547 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.634 -20.574 -0.334 1.00 0.00 H new ATOM 188 N ALA A 12 2.683 -20.748 1.720 1.00 0.00 N ATOM 189 CA ALA A 12 3.220 -19.538 2.378 1.00 0.00 C ATOM 190 C ALA A 12 3.364 -18.257 1.500 1.00 0.00 C ATOM 191 O ALA A 12 3.056 -17.185 2.015 1.00 0.00 O ATOM 192 CB ALA A 12 4.554 -19.900 3.056 1.00 0.00 C ATOM 0 H ALA A 12 3.280 -21.569 1.822 1.00 0.00 H new ATOM 0 HA ALA A 12 2.461 -19.242 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.964 -19.017 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.385 -20.682 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.258 -20.258 2.305 1.00 0.00 H new ATOM 198 N ALA A 13 3.774 -18.322 0.211 1.00 0.00 N ATOM 199 CA ALA A 13 3.785 -17.146 -0.690 1.00 0.00 C ATOM 200 C ALA A 13 2.389 -16.564 -1.048 1.00 0.00 C ATOM 201 O ALA A 13 2.199 -15.359 -0.881 1.00 0.00 O ATOM 202 CB ALA A 13 4.594 -17.479 -1.952 1.00 0.00 C ATOM 0 H ALA A 13 4.103 -19.181 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 13 4.263 -16.343 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.603 -16.615 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.616 -17.733 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.137 -18.326 -2.464 1.00 0.00 H new ATOM 208 N ALA A 14 1.412 -17.376 -1.495 1.00 0.00 N ATOM 209 CA ALA A 14 0.005 -16.909 -1.651 1.00 0.00 C ATOM 210 C ALA A 14 -0.759 -16.517 -0.344 1.00 0.00 C ATOM 211 O ALA A 14 -1.502 -15.533 -0.378 1.00 0.00 O ATOM 212 CB ALA A 14 -0.762 -17.938 -2.499 1.00 0.00 C ATOM 0 H ALA A 14 1.560 -18.351 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 14 0.062 -15.948 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.794 -17.611 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.290 -18.027 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.746 -18.906 -1.999 1.00 0.00 H new ATOM 218 N VAL A 15 -0.556 -17.199 0.806 1.00 0.00 N ATOM 219 CA VAL A 15 -1.033 -16.716 2.137 1.00 0.00 C ATOM 220 C VAL A 15 -0.381 -15.353 2.567 1.00 0.00 C ATOM 221 O VAL A 15 -1.113 -14.412 2.883 1.00 0.00 O ATOM 222 CB VAL A 15 -0.978 -17.847 3.219 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.306 -17.393 4.664 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.911 -19.045 2.910 1.00 0.00 C ATOM 0 H VAL A 15 -0.063 -18.091 0.846 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.090 -16.472 2.036 1.00 0.00 H new ATOM 0 HB VAL A 15 0.069 -18.145 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.241 -18.248 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.593 -16.630 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.315 -16.982 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.821 -19.790 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.943 -18.698 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.626 -19.492 1.957 1.00 0.00 H new ATOM 234 N MET A 16 0.964 -15.242 2.572 1.00 0.00 N ATOM 235 CA MET A 16 1.688 -13.993 2.943 1.00 0.00 C ATOM 236 C MET A 16 1.468 -12.794 1.964 1.00 0.00 C ATOM 237 O MET A 16 1.122 -11.700 2.420 1.00 0.00 O ATOM 238 CB MET A 16 3.188 -14.366 3.125 1.00 0.00 C ATOM 239 CG MET A 16 4.074 -13.267 3.739 1.00 0.00 C ATOM 240 SD MET A 16 5.761 -13.884 3.893 1.00 0.00 S ATOM 241 CE MET A 16 6.595 -12.393 4.466 1.00 0.00 C ATOM 0 H MET A 16 1.585 -16.011 2.320 1.00 0.00 H new ATOM 0 HA MET A 16 1.273 -13.611 3.876 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.250 -15.253 3.756 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.598 -14.637 2.152 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.056 -12.376 3.112 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.689 -12.977 4.717 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.655 -12.602 4.612 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.480 -11.604 3.723 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.155 -12.070 5.410 1.00 0.00 H new ATOM 251 N MET A 17 1.676 -12.984 0.647 1.00 0.00 N ATOM 252 CA MET A 17 1.555 -11.899 -0.363 1.00 0.00 C ATOM 253 C MET A 17 0.114 -11.674 -0.941 1.00 0.00 C ATOM 254 O MET A 17 -0.140 -10.591 -1.472 1.00 0.00 O ATOM 255 CB MET A 17 2.612 -12.124 -1.479 1.00 0.00 C ATOM 256 CG MET A 17 4.099 -12.031 -1.076 1.00 0.00 C ATOM 257 SD MET A 17 4.619 -13.498 -0.164 1.00 0.00 S ATOM 258 CE MET A 17 6.310 -13.038 0.252 1.00 0.00 C ATOM 0 H MET A 17 1.932 -13.887 0.248 1.00 0.00 H new ATOM 0 HA MET A 17 1.756 -10.963 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.441 -13.110 -1.912 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.430 -11.394 -2.268 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.714 -11.917 -1.969 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.258 -11.143 -0.464 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.776 -13.842 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.876 -12.865 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.302 -12.127 0.851 1.00 0.00 H new ATOM 268 N GLY A 18 -0.849 -12.607 -0.798 1.00 0.00 N ATOM 269 CA GLY A 18 -2.294 -12.296 -0.995 1.00 0.00 C ATOM 270 C GLY A 18 -3.017 -11.510 0.130 1.00 0.00 C ATOM 271 O GLY A 18 -3.997 -10.821 -0.160 1.00 0.00 O ATOM 0 H GLY A 18 -0.662 -13.578 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.393 -11.727 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.824 -13.237 -1.142 1.00 0.00 H new ATOM 275 N LEU A 19 -2.535 -11.589 1.386 1.00 0.00 N ATOM 276 CA LEU A 19 -3.037 -10.787 2.535 1.00 0.00 C ATOM 277 C LEU A 19 -3.162 -9.228 2.323 1.00 0.00 C ATOM 278 O LEU A 19 -4.243 -8.739 2.652 1.00 0.00 O ATOM 279 CB LEU A 19 -2.211 -11.232 3.775 1.00 0.00 C ATOM 280 CG LEU A 19 -2.586 -10.620 5.153 1.00 0.00 C ATOM 281 CD1 LEU A 19 -4.015 -10.978 5.604 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.575 -11.067 6.225 1.00 0.00 C ATOM 0 H LEU A 19 -1.775 -12.219 1.642 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.095 -11.005 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.289 -12.316 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.164 -11.001 3.580 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.551 -9.537 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.216 -10.521 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.732 -10.606 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.110 -12.061 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.848 -10.632 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.584 -12.154 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.576 -10.732 5.946 1.00 0.00 H new ATOM 294 N PRO A 20 -2.205 -8.424 1.758 1.00 0.00 N ATOM 295 CA PRO A 20 -2.457 -7.038 1.256 1.00 0.00 C ATOM 296 C PRO A 20 -3.704 -6.700 0.388 1.00 0.00 C ATOM 297 O PRO A 20 -4.162 -5.558 0.462 1.00 0.00 O ATOM 298 CB PRO A 20 -1.148 -6.734 0.523 1.00 0.00 C ATOM 299 CG PRO A 20 -0.083 -7.535 1.255 1.00 0.00 C ATOM 300 CD PRO A 20 -0.811 -8.838 1.535 1.00 0.00 C ATOM 0 HA PRO A 20 -2.728 -6.416 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.208 -7.025 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.923 -5.668 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.806 -7.687 0.644 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.241 -7.042 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.729 -9.530 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.400 -9.345 2.408 1.00 0.00 H new ATOM 308 N ALA A 21 -4.286 -7.643 -0.383 1.00 0.00 N ATOM 309 CA ALA A 21 -5.653 -7.466 -0.959 1.00 0.00 C ATOM 310 C ALA A 21 -6.810 -7.211 0.070 1.00 0.00 C ATOM 311 O ALA A 21 -7.685 -6.387 -0.195 1.00 0.00 O ATOM 312 CB ALA A 21 -5.953 -8.669 -1.869 1.00 0.00 C ATOM 0 H ALA A 21 -3.843 -8.529 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.631 -6.535 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.948 -8.560 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.214 -8.714 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.910 -9.588 -1.284 1.00 0.00 H new ATOM 318 N ILE A 22 -6.781 -7.869 1.246 1.00 0.00 N ATOM 319 CA ILE A 22 -7.576 -7.466 2.450 1.00 0.00 C ATOM 320 C ILE A 22 -6.895 -6.252 3.194 1.00 0.00 C ATOM 321 O ILE A 22 -7.574 -5.253 3.450 1.00 0.00 O ATOM 322 CB ILE A 22 -7.848 -8.722 3.365 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.637 -9.865 2.647 1.00 0.00 C ATOM 324 CG2 ILE A 22 -8.589 -8.356 4.679 1.00 0.00 C ATOM 325 CD1 ILE A 22 -8.538 -11.251 3.309 1.00 0.00 C ATOM 0 H ILE A 22 -6.208 -8.699 1.400 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.555 -7.099 2.143 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.851 -9.093 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.688 -9.580 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.276 -9.944 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.750 -9.258 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.987 -7.650 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.551 -7.903 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.120 -11.971 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.495 -11.567 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.929 -11.198 4.325 1.00 0.00 H new ATOM 337 N GLY A 23 -5.590 -6.347 3.542 1.00 0.00 N ATOM 338 CA GLY A 23 -4.810 -5.296 4.254 1.00 0.00 C ATOM 339 C GLY A 23 -4.940 -3.830 3.800 1.00 0.00 C ATOM 340 O GLY A 23 -5.474 -3.003 4.540 1.00 0.00 O ATOM 0 H GLY A 23 -5.033 -7.175 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.086 -5.339 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.756 -5.568 4.189 1.00 0.00 H new ATOM 344 N ALA A 24 -4.464 -3.526 2.586 1.00 0.00 N ATOM 345 CA ALA A 24 -4.635 -2.190 1.966 1.00 0.00 C ATOM 346 C ALA A 24 -6.035 -1.776 1.424 1.00 0.00 C ATOM 347 O ALA A 24 -6.261 -0.584 1.218 1.00 0.00 O ATOM 348 CB ALA A 24 -3.600 -2.083 0.852 1.00 0.00 C ATOM 0 H ALA A 24 -3.952 -4.188 2.003 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.505 -1.487 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.689 -1.112 0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.600 -2.188 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.770 -2.873 0.120 1.00 0.00 H new ATOM 354 N ALA A 25 -6.965 -2.715 1.220 1.00 0.00 N ATOM 355 CA ALA A 25 -8.413 -2.393 1.008 1.00 0.00 C ATOM 356 C ALA A 25 -9.134 -1.787 2.260 1.00 0.00 C ATOM 357 O ALA A 25 -9.693 -0.685 2.183 1.00 0.00 O ATOM 358 CB ALA A 25 -9.129 -3.638 0.458 1.00 0.00 C ATOM 0 H ALA A 25 -6.757 -3.713 1.194 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.464 -1.589 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.184 -3.412 0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.676 -3.930 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.036 -4.456 1.172 1.00 0.00 H new ATOM 364 N ILE A 26 -9.026 -2.451 3.433 1.00 0.00 N ATOM 365 CA ILE A 26 -9.271 -1.812 4.772 1.00 0.00 C ATOM 366 C ILE A 26 -8.398 -0.518 5.001 1.00 0.00 C ATOM 367 O ILE A 26 -8.928 0.478 5.506 1.00 0.00 O ATOM 368 CB ILE A 26 -9.130 -2.874 5.931 1.00 0.00 C ATOM 369 CG1 ILE A 26 -10.072 -4.113 5.773 1.00 0.00 C ATOM 370 CG2 ILE A 26 -9.357 -2.255 7.340 1.00 0.00 C ATOM 371 CD1 ILE A 26 -9.722 -5.329 6.649 1.00 0.00 C ATOM 0 H ILE A 26 -8.770 -3.436 3.492 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.301 -1.457 4.786 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.099 -3.217 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.092 -3.804 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.061 -4.425 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.248 -3.029 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.622 -1.469 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.360 -1.832 7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.437 -6.130 6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.717 -5.675 6.407 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.764 -5.044 7.700 1.00 0.00 H new ATOM 383 N GLY A 27 -7.109 -0.523 4.581 1.00 0.00 N ATOM 384 CA GLY A 27 -6.267 0.695 4.479 1.00 0.00 C ATOM 385 C GLY A 27 -6.891 1.898 3.743 1.00 0.00 C ATOM 386 O GLY A 27 -7.095 2.919 4.389 1.00 0.00 O ATOM 0 H GLY A 27 -6.622 -1.375 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.000 1.012 5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.339 0.428 3.973 1.00 0.00 H new ATOM 390 N ILE A 28 -7.276 1.764 2.459 1.00 0.00 N ATOM 391 CA ILE A 28 -8.145 2.754 1.730 1.00 0.00 C ATOM 392 C ILE A 28 -9.351 3.326 2.546 1.00 0.00 C ATOM 393 O ILE A 28 -9.491 4.549 2.631 1.00 0.00 O ATOM 394 CB ILE A 28 -8.545 2.163 0.322 1.00 0.00 C ATOM 395 CG1 ILE A 28 -7.355 2.107 -0.675 1.00 0.00 C ATOM 396 CG2 ILE A 28 -9.769 2.811 -0.390 1.00 0.00 C ATOM 397 CD1 ILE A 28 -6.754 3.458 -1.076 1.00 0.00 C ATOM 0 H ILE A 28 -7.001 0.969 1.882 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.544 3.650 1.577 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.857 1.156 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.566 1.496 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.687 1.596 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.938 2.315 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.654 2.703 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.572 3.870 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.932 3.298 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.520 4.070 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.382 3.969 -0.188 1.00 0.00 H new ATOM 409 N GLY A 29 -10.169 2.446 3.152 1.00 0.00 N ATOM 410 CA GLY A 29 -11.265 2.850 4.077 1.00 0.00 C ATOM 411 C GLY A 29 -10.938 3.864 5.205 1.00 0.00 C ATOM 412 O GLY A 29 -11.525 4.948 5.241 1.00 0.00 O ATOM 0 H GLY A 29 -10.097 1.437 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.070 3.271 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.655 1.946 4.545 1.00 0.00 H new ATOM 416 N ILE A 30 -9.998 3.525 6.102 1.00 0.00 N ATOM 417 CA ILE A 30 -9.523 4.442 7.182 1.00 0.00 C ATOM 418 C ILE A 30 -8.550 5.576 6.739 1.00 0.00 C ATOM 419 O ILE A 30 -8.708 6.710 7.187 1.00 0.00 O ATOM 420 CB ILE A 30 -8.972 3.606 8.387 1.00 0.00 C ATOM 421 CG1 ILE A 30 -7.856 2.551 8.096 1.00 0.00 C ATOM 422 CG2 ILE A 30 -10.115 2.969 9.216 1.00 0.00 C ATOM 423 CD1 ILE A 30 -6.434 3.093 8.259 1.00 0.00 C ATOM 0 H ILE A 30 -9.540 2.614 6.110 1.00 0.00 H new ATOM 0 HA ILE A 30 -10.402 5.003 7.500 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.453 4.369 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.990 1.701 8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.978 2.178 7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.691 2.398 10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.759 3.754 9.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.700 2.306 8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.716 2.303 8.040 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.280 3.924 7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.292 3.439 9.283 1.00 0.00 H new ATOM 435 N LEU A 31 -7.572 5.287 5.872 1.00 0.00 N ATOM 436 CA LEU A 31 -6.678 6.301 5.239 1.00 0.00 C ATOM 437 C LEU A 31 -7.470 7.349 4.401 1.00 0.00 C ATOM 438 O LEU A 31 -7.401 8.528 4.731 1.00 0.00 O ATOM 439 CB LEU A 31 -5.538 5.635 4.412 1.00 0.00 C ATOM 440 CG LEU A 31 -4.567 4.678 5.163 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.703 3.891 4.163 1.00 0.00 C ATOM 442 CD2 LEU A 31 -3.691 5.409 6.196 1.00 0.00 C ATOM 0 H LEU A 31 -7.365 4.333 5.577 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.204 6.849 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.997 5.076 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.944 6.429 3.959 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.183 3.975 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.031 3.227 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.347 3.301 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.118 4.587 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.034 4.692 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.089 6.166 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.328 5.888 6.940 1.00 0.00 H new ATOM 454 N GLY A 32 -8.296 6.950 3.419 1.00 0.00 N ATOM 455 CA GLY A 32 -9.354 7.835 2.849 1.00 0.00 C ATOM 456 C GLY A 32 -10.322 8.589 3.802 1.00 0.00 C ATOM 457 O GLY A 32 -10.596 9.757 3.549 1.00 0.00 O ATOM 0 H GLY A 32 -8.260 6.022 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.856 8.583 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.963 7.226 2.181 1.00 0.00 H new ATOM 461 N GLY A 33 -10.794 7.965 4.891 1.00 0.00 N ATOM 462 CA GLY A 33 -11.490 8.665 6.009 1.00 0.00 C ATOM 463 C GLY A 33 -10.698 9.778 6.749 1.00 0.00 C ATOM 464 O GLY A 33 -11.156 10.919 6.829 1.00 0.00 O ATOM 0 H GLY A 33 -10.710 6.958 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.405 9.106 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.788 7.917 6.743 1.00 0.00 H new ATOM 468 N LYS A 34 -9.492 9.452 7.240 1.00 0.00 N ATOM 469 CA LYS A 34 -8.470 10.453 7.678 1.00 0.00 C ATOM 470 C LYS A 34 -8.125 11.586 6.640 1.00 0.00 C ATOM 471 O LYS A 34 -8.154 12.769 6.989 1.00 0.00 O ATOM 472 CB LYS A 34 -7.192 9.663 8.081 1.00 0.00 C ATOM 473 CG LYS A 34 -7.261 8.836 9.390 1.00 0.00 C ATOM 474 CD LYS A 34 -6.119 7.809 9.549 1.00 0.00 C ATOM 475 CE LYS A 34 -4.711 8.419 9.689 1.00 0.00 C ATOM 476 NZ LYS A 34 -3.700 7.362 9.877 1.00 0.00 N ATOM 0 H LYS A 34 -9.184 8.486 7.350 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.901 11.005 8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.941 8.986 7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.369 10.372 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.242 9.519 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.215 8.310 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.322 7.195 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.126 7.143 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.472 9.003 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.689 9.105 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.759 7.794 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.919 6.822 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.709 6.723 9.056 1.00 0.00 H new ATOM 489 N PHE A 35 -7.843 11.227 5.372 1.00 0.00 N ATOM 490 CA PHE A 35 -7.683 12.165 4.233 1.00 0.00 C ATOM 491 C PHE A 35 -8.898 13.090 3.933 1.00 0.00 C ATOM 492 O PHE A 35 -8.677 14.260 3.624 1.00 0.00 O ATOM 493 CB PHE A 35 -7.234 11.305 3.003 1.00 0.00 C ATOM 494 CG PHE A 35 -7.352 11.911 1.592 1.00 0.00 C ATOM 495 CD1 PHE A 35 -6.441 12.873 1.154 1.00 0.00 C ATOM 496 CD2 PHE A 35 -8.417 11.544 0.758 1.00 0.00 C ATOM 497 CE1 PHE A 35 -6.591 13.462 -0.101 1.00 0.00 C ATOM 498 CE2 PHE A 35 -8.560 12.127 -0.498 1.00 0.00 C ATOM 499 CZ PHE A 35 -7.645 13.085 -0.928 1.00 0.00 C ATOM 0 H PHE A 35 -7.716 10.252 5.100 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.926 12.903 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.191 11.028 3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.814 10.382 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.617 13.162 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.130 10.805 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.888 14.212 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.380 11.837 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.753 13.535 -1.904 1.00 0.00 H new ATOM 509 N LEU A 36 -10.144 12.583 3.968 1.00 0.00 N ATOM 510 CA LEU A 36 -11.356 13.365 3.673 1.00 0.00 C ATOM 511 C LEU A 36 -11.710 14.380 4.814 1.00 0.00 C ATOM 512 O LEU A 36 -12.109 15.505 4.517 1.00 0.00 O ATOM 513 CB LEU A 36 -12.425 12.347 3.146 1.00 0.00 C ATOM 514 CG LEU A 36 -13.352 11.601 4.141 1.00 0.00 C ATOM 515 CD1 LEU A 36 -14.411 12.534 4.737 1.00 0.00 C ATOM 516 CD2 LEU A 36 -14.048 10.397 3.479 1.00 0.00 C ATOM 0 H LEU A 36 -10.338 11.610 4.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.241 14.090 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.067 12.885 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.893 11.589 2.570 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.710 11.238 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.041 11.975 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.920 13.348 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.027 12.944 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.688 9.901 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.653 10.742 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.296 9.695 3.119 1.00 0.00 H new ATOM 528 N GLU A 37 -11.544 14.014 6.109 1.00 0.00 N ATOM 529 CA GLU A 37 -11.454 14.949 7.245 1.00 0.00 C ATOM 530 C GLU A 37 -10.357 16.062 7.108 1.00 0.00 C ATOM 531 O GLU A 37 -10.629 17.223 7.430 1.00 0.00 O ATOM 532 CB GLU A 37 -11.248 13.982 8.446 1.00 0.00 C ATOM 533 CG GLU A 37 -11.359 14.672 9.804 1.00 0.00 C ATOM 534 CD GLU A 37 -11.133 13.735 10.992 1.00 0.00 C ATOM 535 OE1 GLU A 37 -10.026 13.498 11.470 1.00 0.00 O ATOM 536 OE2 GLU A 37 -12.299 13.194 11.455 1.00 0.00 O ATOM 0 H GLU A 37 -11.468 13.037 6.393 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.340 15.577 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.987 13.183 8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.267 13.515 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.632 15.483 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.347 15.124 9.892 1.00 0.00 H new ATOM 544 N GLY A 38 -9.167 15.726 6.563 1.00 0.00 N ATOM 545 CA GLY A 38 -8.241 16.729 5.992 1.00 0.00 C ATOM 546 C GLY A 38 -8.753 17.575 4.802 1.00 0.00 C ATOM 547 O GLY A 38 -8.425 18.758 4.751 1.00 0.00 O ATOM 0 H GLY A 38 -8.825 14.767 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.950 17.412 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.338 16.210 5.672 1.00 0.00 H new ATOM 551 N ALA A 39 -9.545 17.009 3.867 1.00 0.00 N ATOM 552 CA ALA A 39 -10.084 17.775 2.706 1.00 0.00 C ATOM 553 C ALA A 39 -11.230 18.775 3.049 1.00 0.00 C ATOM 554 O ALA A 39 -11.255 19.884 2.506 1.00 0.00 O ATOM 555 CB ALA A 39 -10.500 16.773 1.614 1.00 0.00 C ATOM 0 H ALA A 39 -9.829 16.029 3.886 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.285 18.424 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.897 17.315 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.632 16.190 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.266 16.104 2.007 1.00 0.00 H new ATOM 561 N ALA A 40 -12.131 18.403 3.979 1.00 0.00 N ATOM 562 CA ALA A 40 -13.078 19.347 4.628 1.00 0.00 C ATOM 563 C ALA A 40 -12.433 20.524 5.434 1.00 0.00 C ATOM 564 O ALA A 40 -12.905 21.659 5.324 1.00 0.00 O ATOM 565 CB ALA A 40 -14.006 18.481 5.504 1.00 0.00 C ATOM 0 H ALA A 40 -12.227 17.441 4.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.618 19.884 3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.729 19.120 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.534 17.763 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.412 17.947 6.246 1.00 0.00 H new ATOM 571 N ARG A 41 -11.355 20.272 6.205 1.00 0.00 N ATOM 572 CA ARG A 41 -10.583 21.323 6.920 1.00 0.00 C ATOM 573 C ARG A 41 -9.717 22.252 6.001 1.00 0.00 C ATOM 574 O ARG A 41 -9.850 23.476 6.082 1.00 0.00 O ATOM 575 CB ARG A 41 -9.796 20.556 8.015 1.00 0.00 C ATOM 576 CG ARG A 41 -9.040 21.423 9.042 1.00 0.00 C ATOM 577 CD ARG A 41 -8.335 20.533 10.079 1.00 0.00 C ATOM 578 NE ARG A 41 -7.467 21.354 10.957 1.00 0.00 N ATOM 579 CZ ARG A 41 -6.567 20.865 11.821 1.00 0.00 C ATOM 580 NH1 ARG A 41 -6.344 19.576 12.010 1.00 0.00 N ATOM 581 NH2 ARG A 41 -5.868 21.721 12.519 1.00 0.00 N ATOM 0 H ARG A 41 -10.990 19.331 6.353 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.245 22.068 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.494 19.916 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.077 19.900 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.307 22.047 8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.737 22.095 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.076 20.006 10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.738 19.775 9.572 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.562 22.368 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.874 18.884 11.480 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.642 19.274 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.017 22.722 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.173 21.388 13.187 1.00 0.00 H new ATOM 594 N GLN A 42 -8.840 21.685 5.152 1.00 0.00 N ATOM 595 CA GLN A 42 -8.045 22.444 4.156 1.00 0.00 C ATOM 596 C GLN A 42 -7.659 21.492 2.976 1.00 0.00 C ATOM 597 O GLN A 42 -6.920 20.532 3.230 1.00 0.00 O ATOM 598 CB GLN A 42 -6.758 23.086 4.768 1.00 0.00 C ATOM 599 CG GLN A 42 -6.625 24.607 4.541 1.00 0.00 C ATOM 600 CD GLN A 42 -6.344 25.036 3.088 1.00 0.00 C ATOM 601 OE1 GLN A 42 -5.640 24.375 2.328 1.00 0.00 O ATOM 602 NE2 GLN A 42 -6.880 26.162 2.664 1.00 0.00 N ATOM 0 H GLN A 42 -8.659 20.681 5.134 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.664 23.266 3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.745 22.890 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.885 22.591 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.545 25.089 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.822 24.983 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.465 26.716 3.290 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.710 26.480 1.710 1.00 0.00 H new ATOM 611 N PRO A 43 -8.031 21.720 1.682 1.00 0.00 N ATOM 612 CA PRO A 43 -7.570 20.862 0.549 1.00 0.00 C ATOM 613 C PRO A 43 -6.050 20.826 0.172 1.00 0.00 C ATOM 614 O PRO A 43 -5.661 19.991 -0.647 1.00 0.00 O ATOM 615 CB PRO A 43 -8.488 21.320 -0.599 1.00 0.00 C ATOM 616 CG PRO A 43 -8.896 22.752 -0.257 1.00 0.00 C ATOM 617 CD PRO A 43 -8.973 22.776 1.270 1.00 0.00 C ATOM 0 HA PRO A 43 -7.651 19.812 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.968 21.279 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.362 20.674 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.167 23.472 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.855 23.009 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.685 23.748 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.984 22.572 1.624 1.00 0.00 H new ATOM 625 N ASP A 44 -5.200 21.665 0.792 1.00 0.00 N ATOM 626 CA ASP A 44 -3.719 21.484 0.794 1.00 0.00 C ATOM 627 C ASP A 44 -3.149 21.444 2.257 1.00 0.00 C ATOM 628 O ASP A 44 -2.248 22.213 2.609 1.00 0.00 O ATOM 629 CB ASP A 44 -3.061 22.574 -0.100 1.00 0.00 C ATOM 630 CG ASP A 44 -3.313 22.426 -1.605 1.00 0.00 C ATOM 631 OD1 ASP A 44 -2.656 21.685 -2.334 1.00 0.00 O ATOM 632 OD2 ASP A 44 -4.348 23.206 -2.040 1.00 0.00 O ATOM 0 H ASP A 44 -5.510 22.489 1.307 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.468 20.515 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.426 23.551 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.985 22.563 0.074 1.00 0.00 H new ATOM 638 N LEU A 45 -3.626 20.499 3.098 1.00 0.00 N ATOM 639 CA LEU A 45 -3.070 20.263 4.466 1.00 0.00 C ATOM 640 C LEU A 45 -1.769 19.388 4.471 1.00 0.00 C ATOM 641 O LEU A 45 -1.520 18.584 3.567 1.00 0.00 O ATOM 642 CB LEU A 45 -4.175 19.653 5.395 1.00 0.00 C ATOM 643 CG LEU A 45 -4.688 20.592 6.519 1.00 0.00 C ATOM 644 CD1 LEU A 45 -6.007 20.069 7.107 1.00 0.00 C ATOM 645 CD2 LEU A 45 -3.690 20.838 7.665 1.00 0.00 C ATOM 0 H LEU A 45 -4.400 19.879 2.859 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.766 21.234 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.022 19.356 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.781 18.746 5.853 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.835 21.553 6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.348 20.743 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.761 20.018 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.850 19.075 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.138 21.505 8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.440 19.889 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.784 21.294 7.267 1.00 0.00 H new ATOM 657 N ILE A 46 -0.983 19.497 5.563 1.00 0.00 N ATOM 658 CA ILE A 46 0.167 18.585 5.863 1.00 0.00 C ATOM 659 C ILE A 46 -0.335 17.105 6.108 1.00 0.00 C ATOM 660 O ILE A 46 0.085 16.254 5.320 1.00 0.00 O ATOM 661 CB ILE A 46 1.145 19.163 6.958 1.00 0.00 C ATOM 662 CG1 ILE A 46 1.806 20.537 6.610 1.00 0.00 C ATOM 663 CG2 ILE A 46 2.300 18.175 7.278 1.00 0.00 C ATOM 664 CD1 ILE A 46 0.934 21.790 6.801 1.00 0.00 C ATOM 0 H ILE A 46 -1.120 20.219 6.270 1.00 0.00 H new ATOM 0 HA ILE A 46 0.801 18.531 4.978 1.00 0.00 H new ATOM 0 HB ILE A 46 0.487 19.312 7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.701 20.649 7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.132 20.504 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.951 18.610 8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.885 17.238 7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.876 17.983 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.506 22.676 6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.050 21.718 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.628 21.865 7.844 1.00 0.00 H new ATOM 676 N PRO A 47 -1.245 16.730 7.065 1.00 0.00 N ATOM 677 CA PRO A 47 -1.943 15.408 7.053 1.00 0.00 C ATOM 678 C PRO A 47 -2.702 14.956 5.755 1.00 0.00 C ATOM 679 O PRO A 47 -2.887 13.751 5.573 1.00 0.00 O ATOM 680 CB PRO A 47 -2.859 15.489 8.292 1.00 0.00 C ATOM 681 CG PRO A 47 -3.011 16.979 8.597 1.00 0.00 C ATOM 682 CD PRO A 47 -1.669 17.582 8.190 1.00 0.00 C ATOM 0 HA PRO A 47 -1.196 14.614 7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.827 15.029 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.421 14.959 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.833 17.419 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.221 17.150 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.771 18.625 7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.950 17.555 9.009 1.00 0.00 H new ATOM 690 N LEU A 48 -3.098 15.877 4.852 1.00 0.00 N ATOM 691 CA LEU A 48 -3.632 15.532 3.504 1.00 0.00 C ATOM 692 C LEU A 48 -2.560 15.013 2.499 1.00 0.00 C ATOM 693 O LEU A 48 -2.757 13.923 1.957 1.00 0.00 O ATOM 694 CB LEU A 48 -4.489 16.728 3.004 1.00 0.00 C ATOM 695 CG LEU A 48 -5.184 16.565 1.622 1.00 0.00 C ATOM 696 CD1 LEU A 48 -6.574 17.215 1.616 1.00 0.00 C ATOM 697 CD2 LEU A 48 -4.345 17.133 0.460 1.00 0.00 C ATOM 0 H LEU A 48 -3.059 16.881 5.030 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.279 14.658 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.258 16.929 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.849 17.609 2.960 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.286 15.491 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.033 17.084 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.199 16.745 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.479 18.279 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.880 16.991 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.173 18.197 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.388 16.613 0.414 1.00 0.00 H new ATOM 709 N LEU A 49 -1.443 15.730 2.258 1.00 0.00 N ATOM 710 CA LEU A 49 -0.275 15.175 1.491 1.00 0.00 C ATOM 711 C LEU A 49 0.396 13.881 2.039 1.00 0.00 C ATOM 712 O LEU A 49 0.726 12.975 1.266 1.00 0.00 O ATOM 713 CB LEU A 49 0.728 16.306 1.143 1.00 0.00 C ATOM 714 CG LEU A 49 1.434 17.109 2.275 1.00 0.00 C ATOM 715 CD1 LEU A 49 2.742 16.460 2.769 1.00 0.00 C ATOM 716 CD2 LEU A 49 1.730 18.555 1.834 1.00 0.00 C ATOM 0 H LEU A 49 -1.312 16.690 2.575 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.710 14.789 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.510 15.864 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.198 17.026 0.520 1.00 0.00 H new ATOM 0 HG LEU A 49 0.729 17.107 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.178 17.074 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.529 15.465 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.445 16.381 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.223 19.089 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.381 18.543 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.796 19.057 1.584 1.00 0.00 H new ATOM 728 N ARG A 50 0.484 13.777 3.370 1.00 0.00 N ATOM 729 CA ARG A 50 0.741 12.492 4.083 1.00 0.00 C ATOM 730 C ARG A 50 -0.234 11.334 3.714 1.00 0.00 C ATOM 731 O ARG A 50 0.224 10.236 3.400 1.00 0.00 O ATOM 732 CB ARG A 50 0.680 12.715 5.621 1.00 0.00 C ATOM 733 CG ARG A 50 1.801 13.571 6.255 1.00 0.00 C ATOM 734 CD ARG A 50 3.172 12.871 6.330 1.00 0.00 C ATOM 735 NE ARG A 50 4.199 13.759 6.935 1.00 0.00 N ATOM 736 CZ ARG A 50 4.458 13.873 8.246 1.00 0.00 C ATOM 737 NH1 ARG A 50 3.823 13.203 9.190 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.400 14.704 8.609 1.00 0.00 N ATOM 0 H ARG A 50 0.381 14.575 3.996 1.00 0.00 H new ATOM 0 HA ARG A 50 1.734 12.182 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.276 13.182 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.686 11.738 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.908 14.491 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.497 13.857 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.085 11.958 6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.487 12.576 5.329 1.00 0.00 H new ATOM 0 HE ARG A 50 4.754 14.331 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.082 12.548 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.073 13.340 10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.909 15.238 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.626 14.818 9.597 1.00 0.00 H new ATOM 751 N THR A 51 -1.557 11.576 3.779 1.00 0.00 N ATOM 752 CA THR A 51 -2.579 10.507 3.651 1.00 0.00 C ATOM 753 C THR A 51 -3.010 10.178 2.181 1.00 0.00 C ATOM 754 O THR A 51 -3.321 9.016 1.923 1.00 0.00 O ATOM 755 CB THR A 51 -3.738 10.748 4.661 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.255 11.128 5.950 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.567 9.487 4.918 1.00 0.00 C ATOM 0 H THR A 51 -1.950 12.507 3.920 1.00 0.00 H new ATOM 0 HA THR A 51 -2.110 9.566 3.938 1.00 0.00 H new ATOM 0 HB THR A 51 -4.335 11.533 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.936 12.054 5.920 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.361 9.712 5.630 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.006 9.143 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.925 8.706 5.326 1.00 0.00 H new ATOM 765 N GLN A 52 -2.956 11.108 1.198 1.00 0.00 N ATOM 766 CA GLN A 52 -2.877 10.757 -0.250 1.00 0.00 C ATOM 767 C GLN A 52 -1.613 9.948 -0.689 1.00 0.00 C ATOM 768 O GLN A 52 -1.749 8.970 -1.432 1.00 0.00 O ATOM 769 CB GLN A 52 -3.215 11.959 -1.167 1.00 0.00 C ATOM 770 CG GLN A 52 -2.131 13.051 -1.303 1.00 0.00 C ATOM 771 CD GLN A 52 -2.596 14.394 -1.893 1.00 0.00 C ATOM 772 OE1 GLN A 52 -3.777 14.730 -1.960 1.00 0.00 O ATOM 773 NE2 GLN A 52 -1.662 15.221 -2.314 1.00 0.00 N ATOM 0 H GLN A 52 -2.965 12.112 1.377 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.672 10.026 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.439 11.576 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.125 12.427 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.706 13.238 -0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.327 12.661 -1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.680 14.950 -2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.920 16.132 -2.692 1.00 0.00 H new ATOM 782 N PHE A 53 -0.415 10.287 -0.162 1.00 0.00 N ATOM 783 CA PHE A 53 0.748 9.346 -0.154 1.00 0.00 C ATOM 784 C PHE A 53 0.446 7.921 0.445 1.00 0.00 C ATOM 785 O PHE A 53 0.770 6.924 -0.205 1.00 0.00 O ATOM 786 CB PHE A 53 1.978 10.070 0.472 1.00 0.00 C ATOM 787 CG PHE A 53 3.248 9.217 0.660 1.00 0.00 C ATOM 788 CD1 PHE A 53 4.040 8.861 -0.436 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.574 8.729 1.930 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.137 8.019 -0.265 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.670 7.886 2.099 1.00 0.00 C ATOM 792 CZ PHE A 53 5.450 7.531 1.002 1.00 0.00 C ATOM 0 H PHE A 53 -0.220 11.194 0.262 1.00 0.00 H new ATOM 0 HA PHE A 53 0.987 9.095 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.229 10.924 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.684 10.466 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.801 9.240 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.973 9.007 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.745 7.745 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.914 7.508 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.299 6.876 1.133 1.00 0.00 H new ATOM 802 N PHE A 54 -0.195 7.822 1.629 1.00 0.00 N ATOM 803 CA PHE A 54 -0.636 6.540 2.230 1.00 0.00 C ATOM 804 C PHE A 54 -1.691 5.726 1.407 1.00 0.00 C ATOM 805 O PHE A 54 -1.565 4.505 1.302 1.00 0.00 O ATOM 806 CB PHE A 54 -1.123 6.807 3.684 1.00 0.00 C ATOM 807 CG PHE A 54 -0.164 7.416 4.745 1.00 0.00 C ATOM 808 CD1 PHE A 54 1.234 7.343 4.642 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.722 8.082 5.844 1.00 0.00 C ATOM 810 CE1 PHE A 54 2.049 7.955 5.591 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.093 8.695 6.792 1.00 0.00 C ATOM 812 CZ PHE A 54 1.477 8.633 6.663 1.00 0.00 C ATOM 0 H PHE A 54 -0.424 8.635 2.201 1.00 0.00 H new ATOM 0 HA PHE A 54 0.236 5.886 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.987 7.468 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.479 5.857 4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.682 6.807 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.795 8.120 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.123 7.903 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.349 9.218 7.627 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.109 9.112 7.396 1.00 0.00 H new ATOM 822 N ILE A 55 -2.694 6.394 0.803 1.00 0.00 N ATOM 823 CA ILE A 55 -3.598 5.821 -0.247 1.00 0.00 C ATOM 824 C ILE A 55 -2.843 5.130 -1.439 1.00 0.00 C ATOM 825 O ILE A 55 -3.217 4.013 -1.812 1.00 0.00 O ATOM 826 CB ILE A 55 -4.621 6.951 -0.664 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.676 7.218 0.456 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.349 6.754 -2.022 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.395 8.572 0.368 1.00 0.00 C ATOM 0 H ILE A 55 -2.913 7.365 1.026 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.156 4.980 0.165 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.978 7.820 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.423 6.425 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.180 7.151 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.023 7.592 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.614 6.705 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.921 5.827 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.106 8.660 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.663 9.377 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.927 8.641 -0.581 1.00 0.00 H new ATOM 841 N VAL A 56 -1.795 5.763 -2.009 1.00 0.00 N ATOM 842 CA VAL A 56 -0.950 5.147 -3.077 1.00 0.00 C ATOM 843 C VAL A 56 -0.111 3.945 -2.533 1.00 0.00 C ATOM 844 O VAL A 56 -0.320 2.832 -3.017 1.00 0.00 O ATOM 845 CB VAL A 56 -0.124 6.245 -3.841 1.00 0.00 C ATOM 846 CG1 VAL A 56 0.823 5.676 -4.925 1.00 0.00 C ATOM 847 CG2 VAL A 56 -1.007 7.313 -4.535 1.00 0.00 C ATOM 0 H VAL A 56 -1.506 6.707 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.599 4.700 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 56 0.460 6.700 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.358 6.494 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.540 4.997 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.240 5.135 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.370 8.038 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.658 6.829 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.615 7.824 -3.788 1.00 0.00 H new ATOM 857 N MET A 57 0.806 4.130 -1.560 1.00 0.00 N ATOM 858 CA MET A 57 1.675 3.028 -1.058 1.00 0.00 C ATOM 859 C MET A 57 0.981 1.838 -0.305 1.00 0.00 C ATOM 860 O MET A 57 1.426 0.692 -0.431 1.00 0.00 O ATOM 861 CB MET A 57 2.944 3.583 -0.366 1.00 0.00 C ATOM 862 CG MET A 57 2.782 4.190 1.034 1.00 0.00 C ATOM 863 SD MET A 57 2.619 2.883 2.271 1.00 0.00 S ATOM 864 CE MET A 57 2.312 3.856 3.753 1.00 0.00 C ATOM 0 H MET A 57 0.969 5.027 -1.103 1.00 0.00 H new ATOM 0 HA MET A 57 1.990 2.507 -1.962 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.671 2.774 -0.299 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.374 4.346 -1.015 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.643 4.816 1.268 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.903 4.835 1.059 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.242 3.193 4.615 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.130 4.560 3.902 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.377 4.405 3.641 1.00 0.00 H new ATOM 874 N GLY A 58 -0.134 2.073 0.417 1.00 0.00 N ATOM 875 CA GLY A 58 -1.035 0.994 0.878 1.00 0.00 C ATOM 876 C GLY A 58 -1.646 0.173 -0.272 1.00 0.00 C ATOM 877 O GLY A 58 -1.323 -1.010 -0.411 1.00 0.00 O ATOM 0 H GLY A 58 -0.434 3.007 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.481 0.325 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.839 1.431 1.470 1.00 0.00 H new ATOM 881 N LEU A 59 -2.500 0.763 -1.129 1.00 0.00 N ATOM 882 CA LEU A 59 -3.043 0.031 -2.323 1.00 0.00 C ATOM 883 C LEU A 59 -1.982 -0.502 -3.363 1.00 0.00 C ATOM 884 O LEU A 59 -2.300 -1.380 -4.164 1.00 0.00 O ATOM 885 CB LEU A 59 -4.225 0.861 -2.914 1.00 0.00 C ATOM 886 CG LEU A 59 -5.489 0.131 -3.456 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.287 -0.575 -4.805 1.00 0.00 C ATOM 888 CD2 LEU A 59 -6.148 -0.836 -2.449 1.00 0.00 C ATOM 0 H LEU A 59 -2.832 1.723 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.432 -0.928 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.556 1.552 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.824 1.464 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.181 0.957 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.217 -1.056 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.996 0.157 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.504 -1.327 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.020 -1.301 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.433 -1.608 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.457 -0.283 -1.562 1.00 0.00 H new ATOM 900 N VAL A 60 -0.704 -0.073 -3.266 1.00 0.00 N ATOM 901 CA VAL A 60 0.466 -0.793 -3.864 1.00 0.00 C ATOM 902 C VAL A 60 1.050 -1.998 -3.044 1.00 0.00 C ATOM 903 O VAL A 60 1.615 -2.900 -3.668 1.00 0.00 O ATOM 904 CB VAL A 60 1.531 0.227 -4.426 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.827 0.410 -3.599 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.948 -0.105 -5.872 1.00 0.00 C ATOM 0 H VAL A 60 -0.444 0.781 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 60 0.064 -1.337 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 60 0.984 1.168 -4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.474 1.136 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.574 0.768 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.347 -0.545 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.682 0.624 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.385 -1.103 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.072 -0.071 -6.520 1.00 0.00 H new ATOM 916 N ASP A 61 0.857 -2.092 -1.702 1.00 0.00 N ATOM 917 CA ASP A 61 0.814 -3.397 -0.973 1.00 0.00 C ATOM 918 C ASP A 61 -0.146 -4.404 -1.680 1.00 0.00 C ATOM 919 O ASP A 61 0.329 -5.404 -2.217 1.00 0.00 O ATOM 920 CB ASP A 61 0.440 -3.221 0.546 1.00 0.00 C ATOM 921 CG ASP A 61 1.236 -4.074 1.540 1.00 0.00 C ATOM 922 OD1 ASP A 61 2.106 -4.886 1.231 1.00 0.00 O ATOM 923 OD2 ASP A 61 0.846 -3.840 2.828 1.00 0.00 O ATOM 0 H ASP A 61 0.728 -1.280 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 61 1.822 -3.812 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.571 -2.172 0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.619 -3.451 0.668 1.00 0.00 H new ATOM 929 N ALA A 62 -1.458 -4.079 -1.748 1.00 0.00 N ATOM 930 CA ALA A 62 -2.447 -4.853 -2.558 1.00 0.00 C ATOM 931 C ALA A 62 -2.015 -5.297 -3.993 1.00 0.00 C ATOM 932 O ALA A 62 -1.895 -6.503 -4.207 1.00 0.00 O ATOM 933 CB ALA A 62 -3.813 -4.138 -2.586 1.00 0.00 C ATOM 0 H ALA A 62 -1.864 -3.285 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.518 -5.800 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.516 -4.720 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.193 -4.040 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.697 -3.148 -3.027 1.00 0.00 H new ATOM 939 N ILE A 63 -1.750 -4.379 -4.944 1.00 0.00 N ATOM 940 CA ILE A 63 -1.451 -4.740 -6.369 1.00 0.00 C ATOM 941 C ILE A 63 -0.096 -5.510 -6.556 1.00 0.00 C ATOM 942 O ILE A 63 -0.108 -6.598 -7.148 1.00 0.00 O ATOM 943 CB ILE A 63 -1.629 -3.484 -7.305 1.00 0.00 C ATOM 944 CG1 ILE A 63 -3.040 -2.816 -7.265 1.00 0.00 C ATOM 945 CG2 ILE A 63 -1.243 -3.735 -8.786 1.00 0.00 C ATOM 946 CD1 ILE A 63 -4.249 -3.687 -7.658 1.00 0.00 C ATOM 0 H ILE A 63 -1.734 -3.375 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.191 -5.474 -6.687 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.917 -2.786 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.208 -2.444 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.021 -1.949 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.395 -2.822 -9.361 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.195 -4.031 -8.844 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.867 -4.529 -9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.162 -3.096 -7.585 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.126 -4.040 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.315 -4.542 -6.985 1.00 0.00 H new ATOM 958 N ALA A 64 1.046 -4.971 -6.077 1.00 0.00 N ATOM 959 CA ALA A 64 2.368 -5.629 -6.221 1.00 0.00 C ATOM 960 C ALA A 64 2.492 -7.031 -5.552 1.00 0.00 C ATOM 961 O ALA A 64 2.897 -7.987 -6.219 1.00 0.00 O ATOM 962 CB ALA A 64 3.466 -4.655 -5.750 1.00 0.00 C ATOM 0 H ALA A 64 1.081 -4.078 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 64 2.494 -5.853 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.442 -5.130 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.437 -3.752 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.297 -4.394 -4.705 1.00 0.00 H new ATOM 968 N MET A 65 2.098 -7.166 -4.271 1.00 0.00 N ATOM 969 CA MET A 65 2.099 -8.452 -3.551 1.00 0.00 C ATOM 970 C MET A 65 1.047 -9.487 -4.060 1.00 0.00 C ATOM 971 O MET A 65 1.429 -10.646 -4.227 1.00 0.00 O ATOM 972 CB MET A 65 1.971 -8.153 -2.037 1.00 0.00 C ATOM 973 CG MET A 65 3.104 -7.339 -1.376 1.00 0.00 C ATOM 974 SD MET A 65 4.679 -8.201 -1.557 1.00 0.00 S ATOM 975 CE MET A 65 5.769 -7.043 -0.707 1.00 0.00 C ATOM 0 H MET A 65 1.769 -6.383 -3.706 1.00 0.00 H new ATOM 0 HA MET A 65 3.044 -8.955 -3.755 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.035 -7.618 -1.877 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.889 -9.104 -1.511 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.167 -6.352 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.884 -7.187 -0.319 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.790 -7.424 -0.725 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.734 -6.075 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.443 -6.929 0.327 1.00 0.00 H new ATOM 985 N ILE A 66 -0.229 -9.128 -4.358 1.00 0.00 N ATOM 986 CA ILE A 66 -1.206 -10.085 -4.979 1.00 0.00 C ATOM 987 C ILE A 66 -0.705 -10.689 -6.340 1.00 0.00 C ATOM 988 O ILE A 66 -0.761 -11.908 -6.497 1.00 0.00 O ATOM 989 CB ILE A 66 -2.675 -9.519 -4.979 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.805 -10.565 -4.749 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.020 -8.589 -6.168 1.00 0.00 C ATOM 992 CD1 ILE A 66 -3.953 -11.712 -5.761 1.00 0.00 C ATOM 0 H ILE A 66 -0.610 -8.198 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.258 -10.960 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.653 -8.897 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.653 -11.008 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.753 -10.028 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.053 -8.251 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.354 -7.726 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.897 -9.134 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.782 -12.355 -5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.150 -11.301 -6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.033 -12.295 -5.787 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.129 -9.885 -7.263 1.00 0.00 N ATOM 1005 CA ALA A 67 0.613 -10.415 -8.440 1.00 0.00 C ATOM 1006 C ALA A 67 1.862 -11.323 -8.169 1.00 0.00 C ATOM 1007 O ALA A 67 2.059 -12.286 -8.915 1.00 0.00 O ATOM 1008 CB ALA A 67 0.970 -9.195 -9.306 1.00 0.00 C ATOM 0 H ALA A 67 -0.161 -8.866 -7.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.047 -11.125 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.518 -9.523 -10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.056 -8.688 -9.615 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.589 -8.508 -8.729 1.00 0.00 H new ATOM 1014 N VAL A 68 2.673 -11.069 -7.119 1.00 0.00 N ATOM 1015 CA VAL A 68 3.766 -11.998 -6.674 1.00 0.00 C ATOM 1016 C VAL A 68 3.217 -13.360 -6.114 1.00 0.00 C ATOM 1017 O VAL A 68 3.640 -14.415 -6.595 1.00 0.00 O ATOM 1018 CB VAL A 68 4.764 -11.248 -5.715 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.825 -12.152 -5.038 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.545 -10.113 -6.424 1.00 0.00 C ATOM 0 H VAL A 68 2.600 -10.224 -6.552 1.00 0.00 H new ATOM 0 HA VAL A 68 4.345 -12.296 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 68 4.093 -10.852 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.465 -11.545 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.326 -12.911 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.432 -12.636 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.217 -9.633 -5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.126 -10.530 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.843 -9.376 -6.813 1.00 0.00 H new ATOM 1030 N GLY A 69 2.303 -13.351 -5.122 1.00 0.00 N ATOM 1031 CA GLY A 69 1.690 -14.594 -4.575 1.00 0.00 C ATOM 1032 C GLY A 69 0.778 -15.428 -5.508 1.00 0.00 C ATOM 1033 O GLY A 69 0.932 -16.653 -5.553 1.00 0.00 O ATOM 0 H GLY A 69 1.968 -12.496 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.497 -15.241 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.106 -14.319 -3.696 1.00 0.00 H new ATOM 1037 N LEU A 70 -0.123 -14.779 -6.277 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.802 -15.413 -7.450 1.00 0.00 C ATOM 1039 C LEU A 70 0.182 -15.997 -8.511 1.00 0.00 C ATOM 1040 O LEU A 70 0.031 -17.163 -8.874 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.804 -14.391 -8.062 1.00 0.00 C ATOM 1042 CG LEU A 70 -2.702 -14.842 -9.248 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -3.617 -16.033 -8.908 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.553 -13.659 -9.746 1.00 0.00 C ATOM 0 H LEU A 70 -0.404 -13.812 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.347 -16.286 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.461 -14.052 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.231 -13.524 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.026 -15.181 -10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.215 -16.294 -9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.008 -16.889 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.277 -15.761 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.179 -13.985 -10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.186 -13.299 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.898 -12.854 -10.079 1.00 0.00 H new ATOM 1056 N GLY A 71 1.200 -15.221 -8.938 1.00 0.00 N ATOM 1057 CA GLY A 71 2.368 -15.732 -9.701 1.00 0.00 C ATOM 1058 C GLY A 71 3.046 -17.041 -9.230 1.00 0.00 C ATOM 1059 O GLY A 71 3.204 -17.953 -10.047 1.00 0.00 O ATOM 0 H GLY A 71 1.239 -14.217 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.051 -15.877 -10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.127 -14.950 -9.707 1.00 0.00 H new ATOM 1063 N LEU A 72 3.420 -17.158 -7.937 1.00 0.00 N ATOM 1064 CA LEU A 72 4.065 -18.383 -7.408 1.00 0.00 C ATOM 1065 C LEU A 72 3.138 -19.640 -7.324 1.00 0.00 C ATOM 1066 O LEU A 72 3.463 -20.670 -7.921 1.00 0.00 O ATOM 1067 CB LEU A 72 4.830 -18.098 -6.084 1.00 0.00 C ATOM 1068 CG LEU A 72 5.979 -19.114 -5.849 1.00 0.00 C ATOM 1069 CD1 LEU A 72 7.228 -18.828 -6.709 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.398 -19.188 -4.375 1.00 0.00 C ATOM 0 H LEU A 72 3.288 -16.423 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 72 4.801 -18.666 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.239 -17.088 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.133 -18.138 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 72 5.564 -20.075 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.994 -19.574 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.961 -18.872 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.613 -17.836 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.205 -19.912 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.742 -18.208 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.546 -19.497 -3.770 1.00 0.00 H new ATOM 1082 N TYR A 73 1.976 -19.535 -6.642 1.00 0.00 N ATOM 1083 CA TYR A 73 0.809 -20.457 -6.806 1.00 0.00 C ATOM 1084 C TYR A 73 0.544 -21.009 -8.239 1.00 0.00 C ATOM 1085 O TYR A 73 0.435 -22.223 -8.415 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.434 -19.706 -6.221 1.00 0.00 C ATOM 1087 CG TYR A 73 -1.881 -20.194 -6.503 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -2.232 -21.550 -6.520 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -2.869 -19.241 -6.775 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.542 -21.942 -6.780 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.182 -19.630 -7.028 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.517 -20.981 -7.028 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.805 -21.369 -7.288 1.00 0.00 O ATOM 0 H TYR A 73 1.811 -18.802 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 73 1.037 -21.376 -6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.312 -19.686 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.374 -18.675 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.478 -22.299 -6.329 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.610 -18.193 -6.789 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.801 -22.990 -6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.939 -18.885 -7.224 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.361 -20.576 -7.438 1.00 0.00 H new ATOM 1103 N VAL A 74 0.404 -20.109 -9.219 1.00 0.00 N ATOM 1104 CA VAL A 74 -0.013 -20.474 -10.606 1.00 0.00 C ATOM 1105 C VAL A 74 1.092 -21.180 -11.462 1.00 0.00 C ATOM 1106 O VAL A 74 0.762 -22.105 -12.207 1.00 0.00 O ATOM 1107 CB VAL A 74 -0.782 -19.290 -11.289 1.00 0.00 C ATOM 1108 CG1 VAL A 74 0.110 -18.199 -11.920 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -1.805 -19.780 -12.334 1.00 0.00 C ATOM 0 H VAL A 74 0.572 -19.111 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.741 -21.281 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.301 -18.820 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.518 -17.428 -12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.740 -17.754 -11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.739 -18.644 -12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.311 -18.923 -12.778 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.289 -20.340 -13.113 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.539 -20.424 -11.850 1.00 0.00 H new ATOM 1119 N MET A 75 2.380 -20.807 -11.318 1.00 0.00 N ATOM 1120 CA MET A 75 3.533 -21.621 -11.791 1.00 0.00 C ATOM 1121 C MET A 75 3.710 -23.035 -11.131 1.00 0.00 C ATOM 1122 O MET A 75 4.207 -23.941 -11.805 1.00 0.00 O ATOM 1123 CB MET A 75 4.811 -20.760 -11.596 1.00 0.00 C ATOM 1124 CG MET A 75 4.984 -19.574 -12.570 1.00 0.00 C ATOM 1125 SD MET A 75 4.999 -20.125 -14.293 1.00 0.00 S ATOM 1126 CE MET A 75 6.683 -20.749 -14.468 1.00 0.00 C ATOM 0 H MET A 75 2.657 -19.933 -10.871 1.00 0.00 H new ATOM 0 HA MET A 75 3.338 -21.864 -12.836 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.811 -20.371 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.681 -21.410 -11.689 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.174 -18.860 -12.423 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.914 -19.051 -12.346 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.830 -21.120 -15.482 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.391 -19.945 -14.270 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.846 -21.560 -13.758 1.00 0.00 H new ATOM 1136 N PHE A 76 3.315 -23.240 -9.856 1.00 0.00 N ATOM 1137 CA PHE A 76 3.245 -24.596 -9.236 1.00 0.00 C ATOM 1138 C PHE A 76 1.984 -25.428 -9.627 1.00 0.00 C ATOM 1139 O PHE A 76 2.122 -26.573 -10.063 1.00 0.00 O ATOM 1140 CB PHE A 76 3.410 -24.497 -7.690 1.00 0.00 C ATOM 1141 CG PHE A 76 4.792 -24.095 -7.139 1.00 0.00 C ATOM 1142 CD1 PHE A 76 5.927 -24.847 -7.477 1.00 0.00 C ATOM 1143 CD2 PHE A 76 4.915 -23.053 -6.212 1.00 0.00 C ATOM 1144 CE1 PHE A 76 7.164 -24.549 -6.912 1.00 0.00 C ATOM 1145 CE2 PHE A 76 6.155 -22.771 -5.638 1.00 0.00 C ATOM 1146 CZ PHE A 76 7.277 -23.514 -5.991 1.00 0.00 C ATOM 0 H PHE A 76 3.037 -22.486 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 76 4.082 -25.156 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.680 -23.777 -7.321 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.148 -25.465 -7.263 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.841 -25.662 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.049 -22.467 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.036 -25.122 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.244 -21.972 -4.916 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.236 -23.287 -5.549 1.00 0.00 H new ATOM 1156 N ALA A 77 0.775 -24.867 -9.460 1.00 0.00 N ATOM 1157 CA ALA A 77 -0.512 -25.534 -9.804 1.00 0.00 C ATOM 1158 C ALA A 77 -0.713 -25.865 -11.316 1.00 0.00 C ATOM 1159 O ALA A 77 -0.973 -27.026 -11.644 1.00 0.00 O ATOM 1160 CB ALA A 77 -1.655 -24.675 -9.227 1.00 0.00 C ATOM 0 H ALA A 77 0.652 -23.929 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.504 -26.525 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.613 -25.138 -9.463 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.544 -24.601 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.617 -23.677 -9.665 1.00 0.00 H new ATOM 1166 N VAL A 78 -0.550 -24.882 -12.228 1.00 0.00 N ATOM 1167 CA VAL A 78 -0.364 -25.145 -13.681 1.00 0.00 C ATOM 1168 C VAL A 78 1.175 -25.292 -13.910 1.00 0.00 C ATOM 1169 O VAL A 78 1.960 -24.393 -13.593 1.00 0.00 O ATOM 1170 CB VAL A 78 -0.978 -24.046 -14.610 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -0.962 -24.452 -16.104 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -2.425 -23.620 -14.260 1.00 0.00 C ATOM 0 H VAL A 78 -0.543 -23.891 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.904 -26.052 -13.954 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.321 -23.195 -14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.400 -23.653 -16.703 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.066 -24.624 -16.423 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.541 -25.365 -16.239 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.759 -22.855 -14.961 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.085 -24.485 -14.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.451 -23.219 -13.247 1.00 0.00 H new ATOM 1182 N ALA A 79 1.583 -26.452 -14.445 1.00 0.00 N ATOM 1183 CA ALA A 79 3.004 -26.889 -14.545 1.00 0.00 C ATOM 1184 C ALA A 79 3.636 -27.175 -13.168 1.00 0.00 C ATOM 1185 O ALA A 79 4.248 -28.212 -12.911 1.00 0.00 O ATOM 1186 CB ALA A 79 3.895 -25.960 -15.396 1.00 0.00 C ATOM 0 H ALA A 79 0.930 -27.134 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 79 2.959 -27.833 -15.088 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.912 -26.350 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.504 -25.912 -16.412 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.899 -24.961 -14.961 1.00 0.00 H new TER 1192 ALA A 79