USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 148:sc= 0.459 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.165 (180deg=-0.749) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.726 (180deg=-1.87!) USER MOD Single : A 3 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.2) USER MOD Single : A 5 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 177:sc= 0 (180deg=-0.0192) USER MOD Single : A 16 MET CE :methyl 170:sc= -1.32 (180deg=-1.66) USER MOD Single : A 17 MET CE :methyl 178:sc= -0.871 (180deg=-0.884) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.0481 (180deg=-0.252) USER MOD Single : A 42 GLN : amide:sc= -3.12! C(o=-3.1!,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 58:sc= 1.28 USER MOD Single : A 52 GLN : amide:sc= -0.0252 K(o=-0.025,f=-2.4!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 170:sc= -2.93 (180deg=-3.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.953 -28.467 3.926 1.00 0.00 N ATOM 2 CA MET A 1 -4.653 -27.835 4.275 1.00 0.00 C ATOM 3 C MET A 1 -3.850 -27.491 3.024 1.00 0.00 C ATOM 4 O MET A 1 -3.764 -26.329 2.630 1.00 0.00 O ATOM 5 CB MET A 1 -3.864 -28.798 5.164 1.00 0.00 C ATOM 6 CG MET A 1 -4.526 -29.072 6.504 1.00 0.00 C ATOM 7 SD MET A 1 -3.582 -30.220 7.524 1.00 0.00 S ATOM 8 CE MET A 1 -2.039 -29.328 7.700 1.00 0.00 C ATOM 0 H1 MET A 1 -6.675 -28.182 4.619 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.244 -28.160 2.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.850 -29.502 3.939 1.00 0.00 H new ATOM 0 HA MET A 1 -4.842 -26.903 4.807 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.731 -29.741 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.869 -28.387 5.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.651 -28.132 7.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.524 -29.478 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.494 -29.710 8.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.436 -29.463 6.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.246 -28.267 7.842 1.00 0.00 H new ATOM 20 N GLU A 2 -3.263 -28.511 2.406 1.00 0.00 N ATOM 21 CA GLU A 2 -2.463 -28.324 1.201 1.00 0.00 C ATOM 22 C GLU A 2 -3.208 -27.491 0.159 1.00 0.00 C ATOM 23 O GLU A 2 -2.590 -26.831 -0.677 1.00 0.00 O ATOM 24 CB GLU A 2 -2.078 -29.679 0.606 1.00 0.00 C ATOM 25 CG GLU A 2 -1.267 -30.549 1.552 1.00 0.00 C ATOM 26 CD GLU A 2 -0.900 -31.888 0.942 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.824 -32.651 0.586 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.309 -32.174 0.821 1.00 0.00 O ATOM 0 H GLU A 2 -3.327 -29.479 2.721 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.559 -27.784 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.985 -30.213 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.505 -29.516 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.356 -30.021 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.837 -30.714 2.466 1.00 0.00 H new ATOM 35 N ASN A 3 -4.537 -27.530 0.209 1.00 0.00 N ATOM 36 CA ASN A 3 -5.355 -26.781 -0.738 1.00 0.00 C ATOM 37 C ASN A 3 -5.712 -25.403 -0.190 1.00 0.00 C ATOM 38 O ASN A 3 -5.575 -24.397 -0.887 1.00 0.00 O ATOM 39 CB ASN A 3 -6.630 -27.557 -1.072 1.00 0.00 C ATOM 40 CG ASN A 3 -6.339 -28.907 -1.697 1.00 0.00 C ATOM 41 OD1 ASN A 3 -5.686 -29.756 -1.091 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.823 -29.111 -2.917 1.00 0.00 N ATOM 0 H ASN A 3 -5.068 -28.070 0.892 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.771 -26.646 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.214 -27.699 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.242 -26.968 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.658 -30.000 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.359 -28.378 -3.382 1.00 0.00 H new ATOM 49 N LEU A 4 -6.161 -25.358 1.060 1.00 0.00 N ATOM 50 CA LEU A 4 -6.523 -24.091 1.686 1.00 0.00 C ATOM 51 C LEU A 4 -5.282 -23.251 1.964 1.00 0.00 C ATOM 52 O LEU A 4 -5.380 -22.072 2.303 1.00 0.00 O ATOM 53 CB LEU A 4 -7.311 -24.332 2.978 1.00 0.00 C ATOM 54 CG LEU A 4 -6.611 -25.200 4.028 1.00 0.00 C ATOM 55 CD1 LEU A 4 -5.384 -24.496 4.586 1.00 0.00 C ATOM 56 CD2 LEU A 4 -7.577 -25.557 5.150 1.00 0.00 C ATOM 0 H LEU A 4 -6.282 -26.177 1.656 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.159 -23.540 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.542 -23.366 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.261 -24.800 2.721 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.282 -26.120 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.905 -25.134 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.682 -24.292 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.684 -23.557 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.065 -26.174 5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.935 -24.644 5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.423 -26.109 4.740 1.00 0.00 H new ATOM 68 N ASN A 5 -4.116 -23.864 1.801 1.00 0.00 N ATOM 69 CA ASN A 5 -2.861 -23.182 2.012 1.00 0.00 C ATOM 70 C ASN A 5 -2.691 -22.099 0.962 1.00 0.00 C ATOM 71 O ASN A 5 -2.593 -20.913 1.279 1.00 0.00 O ATOM 72 CB ASN A 5 -1.703 -24.173 1.935 1.00 0.00 C ATOM 73 CG ASN A 5 -0.373 -23.527 2.256 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.131 -23.094 3.382 1.00 0.00 O ATOM 75 ND2 ASN A 5 0.492 -23.447 1.255 1.00 0.00 N ATOM 0 H ASN A 5 -4.022 -24.840 1.521 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.863 -22.727 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.883 -24.994 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.663 -24.605 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.403 -23.012 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.247 -23.820 0.338 1.00 0.00 H new ATOM 82 N MET A 6 -2.691 -22.519 -0.301 1.00 0.00 N ATOM 83 CA MET A 6 -2.571 -21.594 -1.410 1.00 0.00 C ATOM 84 C MET A 6 -3.673 -20.548 -1.339 1.00 0.00 C ATOM 85 O MET A 6 -3.512 -19.426 -1.816 1.00 0.00 O ATOM 86 CB MET A 6 -2.651 -22.337 -2.747 1.00 0.00 C ATOM 87 CG MET A 6 -1.350 -23.002 -3.169 1.00 0.00 C ATOM 88 SD MET A 6 -0.791 -24.258 -2.004 1.00 0.00 S ATOM 89 CE MET A 6 0.714 -24.812 -2.802 1.00 0.00 C ATOM 0 H MET A 6 -2.773 -23.498 -0.576 1.00 0.00 H new ATOM 0 HA MET A 6 -1.601 -21.102 -1.341 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.430 -23.097 -2.682 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.955 -21.634 -3.523 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.483 -23.458 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.577 -22.241 -3.273 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.179 -25.593 -2.200 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.478 -25.208 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.403 -23.973 -2.902 1.00 0.00 H new ATOM 99 N ASP A 7 -4.798 -20.925 -0.736 1.00 0.00 N ATOM 100 CA ASP A 7 -5.927 -20.014 -0.600 1.00 0.00 C ATOM 101 C ASP A 7 -5.610 -18.912 0.404 1.00 0.00 C ATOM 102 O ASP A 7 -5.841 -17.731 0.142 1.00 0.00 O ATOM 103 CB ASP A 7 -7.177 -20.779 -0.163 1.00 0.00 C ATOM 104 CG ASP A 7 -8.393 -19.882 -0.027 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.265 -18.663 -0.271 1.00 0.00 O ATOM 106 OD2 ASP A 7 -9.475 -20.398 0.325 1.00 0.00 O ATOM 0 H ASP A 7 -4.950 -21.851 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.116 -19.555 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.389 -21.565 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.983 -21.269 0.791 1.00 0.00 H new ATOM 111 N LEU A 8 -5.075 -19.309 1.553 1.00 0.00 N ATOM 112 CA LEU A 8 -4.722 -18.361 2.601 1.00 0.00 C ATOM 113 C LEU A 8 -3.530 -17.504 2.188 1.00 0.00 C ATOM 114 O LEU A 8 -3.582 -16.280 2.265 1.00 0.00 O ATOM 115 CB LEU A 8 -4.400 -19.106 3.900 1.00 0.00 C ATOM 116 CG LEU A 8 -4.065 -18.211 5.094 1.00 0.00 C ATOM 117 CD1 LEU A 8 -5.231 -17.290 5.417 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.703 -19.058 6.306 1.00 0.00 C ATOM 0 H LEU A 8 -4.876 -20.283 1.782 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.577 -17.705 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.253 -19.732 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.558 -19.774 3.719 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.205 -17.595 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.973 -16.661 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.447 -16.660 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.110 -17.887 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.467 -18.407 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.546 -19.698 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.837 -19.677 6.072 1.00 0.00 H new ATOM 130 N LEU A 9 -2.456 -18.158 1.757 1.00 0.00 N ATOM 131 CA LEU A 9 -1.243 -17.457 1.339 1.00 0.00 C ATOM 132 C LEU A 9 -1.534 -16.497 0.183 1.00 0.00 C ATOM 133 O LEU A 9 -1.292 -15.290 0.282 1.00 0.00 O ATOM 134 CB LEU A 9 -0.177 -18.472 0.924 1.00 0.00 C ATOM 135 CG LEU A 9 1.230 -17.902 0.748 1.00 0.00 C ATOM 136 CD1 LEU A 9 1.734 -17.324 2.062 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.179 -18.977 0.236 1.00 0.00 C ATOM 0 H LEU A 9 -2.399 -19.174 1.687 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.876 -16.870 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.140 -19.263 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.484 -18.935 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 9 1.191 -17.100 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.737 -16.922 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.066 -16.527 2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.760 -18.109 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.177 -18.555 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.217 -19.799 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.824 -19.348 -0.726 1.00 0.00 H new ATOM 149 N TYR A 10 -2.066 -17.039 -0.908 1.00 0.00 N ATOM 150 CA TYR A 10 -2.402 -16.235 -2.081 1.00 0.00 C ATOM 151 C TYR A 10 -3.289 -15.067 -1.668 1.00 0.00 C ATOM 152 O TYR A 10 -2.953 -13.901 -1.895 1.00 0.00 O ATOM 153 CB TYR A 10 -3.107 -17.115 -3.118 1.00 0.00 C ATOM 154 CG TYR A 10 -3.248 -16.504 -4.496 1.00 0.00 C ATOM 155 CD1 TYR A 10 -3.628 -15.177 -4.680 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.014 -17.277 -5.624 1.00 0.00 C ATOM 157 CE1 TYR A 10 -3.763 -14.645 -5.949 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.148 -16.754 -6.894 1.00 0.00 C ATOM 159 CZ TYR A 10 -3.522 -15.438 -7.053 1.00 0.00 C ATOM 160 OH TYR A 10 -3.658 -14.912 -8.317 1.00 0.00 O ATOM 0 H TYR A 10 -2.274 -18.033 -1.006 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.491 -15.834 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.558 -18.052 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.101 -17.363 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.820 -14.554 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.721 -18.310 -5.506 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.056 -13.613 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.961 -17.373 -7.759 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.451 -15.601 -8.982 1.00 0.00 H new ATOM 170 N MET A 11 -4.414 -15.385 -1.036 1.00 0.00 N ATOM 171 CA MET A 11 -5.335 -14.360 -0.569 1.00 0.00 C ATOM 172 C MET A 11 -4.625 -13.412 0.395 1.00 0.00 C ATOM 173 O MET A 11 -5.065 -12.284 0.608 1.00 0.00 O ATOM 174 CB MET A 11 -6.541 -14.998 0.117 1.00 0.00 C ATOM 175 CG MET A 11 -7.556 -13.988 0.628 1.00 0.00 C ATOM 176 SD MET A 11 -8.965 -14.767 1.439 1.00 0.00 S ATOM 177 CE MET A 11 -9.927 -13.329 1.902 1.00 0.00 C ATOM 0 H MET A 11 -4.708 -16.341 -0.837 1.00 0.00 H new ATOM 0 HA MET A 11 -5.685 -13.791 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.033 -15.672 -0.585 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.194 -15.606 0.952 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.068 -13.311 1.329 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.911 -13.382 -0.206 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.859 -13.649 2.368 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.358 -12.722 2.607 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.150 -12.739 1.013 1.00 0.00 H new ATOM 187 N ALA A 12 -3.521 -13.883 0.975 1.00 0.00 N ATOM 188 CA ALA A 12 -2.752 -13.086 1.908 1.00 0.00 C ATOM 189 C ALA A 12 -2.082 -11.926 1.193 1.00 0.00 C ATOM 190 O ALA A 12 -2.211 -10.780 1.602 1.00 0.00 O ATOM 191 CB ALA A 12 -1.713 -13.941 2.622 1.00 0.00 C ATOM 0 H ALA A 12 -3.145 -14.817 0.809 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.436 -12.684 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.147 -13.321 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.213 -14.739 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.034 -14.376 1.889 1.00 0.00 H new ATOM 197 N ALA A 13 -1.366 -12.235 0.120 1.00 0.00 N ATOM 198 CA ALA A 13 -0.675 -11.222 -0.658 1.00 0.00 C ATOM 199 C ALA A 13 -1.634 -10.466 -1.574 1.00 0.00 C ATOM 200 O ALA A 13 -1.298 -9.401 -2.088 1.00 0.00 O ATOM 201 CB ALA A 13 0.444 -11.853 -1.468 1.00 0.00 C ATOM 0 H ALA A 13 -1.250 -13.186 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.247 -10.502 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.954 -11.082 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.155 -12.331 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.027 -12.599 -2.145 1.00 0.00 H new ATOM 207 N ALA A 14 -2.838 -10.996 -1.763 1.00 0.00 N ATOM 208 CA ALA A 14 -3.819 -10.326 -2.605 1.00 0.00 C ATOM 209 C ALA A 14 -4.594 -9.335 -1.763 1.00 0.00 C ATOM 210 O ALA A 14 -4.898 -8.222 -2.191 1.00 0.00 O ATOM 211 CB ALA A 14 -4.755 -11.335 -3.253 1.00 0.00 C ATOM 0 H ALA A 14 -3.154 -11.874 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.306 -9.795 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.479 -10.811 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.177 -12.024 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.281 -11.893 -2.478 1.00 0.00 H new ATOM 217 N VAL A 15 -4.871 -9.756 -0.543 1.00 0.00 N ATOM 218 CA VAL A 15 -5.570 -8.940 0.422 1.00 0.00 C ATOM 219 C VAL A 15 -4.608 -7.926 1.032 1.00 0.00 C ATOM 220 O VAL A 15 -4.980 -6.793 1.330 1.00 0.00 O ATOM 221 CB VAL A 15 -6.158 -9.835 1.528 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.659 -9.007 2.704 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.276 -10.700 0.968 1.00 0.00 C ATOM 0 H VAL A 15 -4.614 -10.680 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.380 -8.408 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.362 -10.483 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.068 -9.669 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.832 -8.435 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.436 -8.323 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.682 -11.328 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.065 -10.062 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.883 -11.331 0.171 1.00 0.00 H new ATOM 233 N MET A 16 -3.360 -8.355 1.205 1.00 0.00 N ATOM 234 CA MET A 16 -2.321 -7.506 1.772 1.00 0.00 C ATOM 235 C MET A 16 -1.862 -6.460 0.780 1.00 0.00 C ATOM 236 O MET A 16 -1.832 -5.275 1.100 1.00 0.00 O ATOM 237 CB MET A 16 -1.117 -8.343 2.225 1.00 0.00 C ATOM 238 CG MET A 16 -1.337 -9.063 3.547 1.00 0.00 C ATOM 239 SD MET A 16 0.063 -10.098 4.016 1.00 0.00 S ATOM 240 CE MET A 16 1.365 -8.874 4.133 1.00 0.00 C ATOM 0 H MET A 16 -3.045 -9.293 0.958 1.00 0.00 H new ATOM 0 HA MET A 16 -2.753 -7.002 2.637 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.886 -9.079 1.454 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.247 -7.693 2.316 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.519 -8.328 4.331 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.232 -9.680 3.475 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.249 -9.325 4.584 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.613 -8.510 3.136 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.027 -8.041 4.750 1.00 0.00 H new ATOM 250 N MET A 17 -1.490 -6.885 -0.422 1.00 0.00 N ATOM 251 CA MET A 17 -1.029 -5.935 -1.419 1.00 0.00 C ATOM 252 C MET A 17 -2.194 -5.177 -2.006 1.00 0.00 C ATOM 253 O MET A 17 -2.093 -3.982 -2.278 1.00 0.00 O ATOM 254 CB MET A 17 -0.241 -6.632 -2.527 1.00 0.00 C ATOM 255 CG MET A 17 0.820 -7.593 -2.019 1.00 0.00 C ATOM 256 SD MET A 17 1.889 -8.200 -3.339 1.00 0.00 S ATOM 257 CE MET A 17 0.692 -9.002 -4.404 1.00 0.00 C ATOM 0 H MET A 17 -1.499 -7.860 -0.723 1.00 0.00 H new ATOM 0 HA MET A 17 -0.363 -5.229 -0.923 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.936 -7.178 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.237 -5.876 -3.150 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.427 -7.093 -1.265 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.336 -8.438 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.197 -9.397 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.213 -9.818 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.063 -8.279 -4.712 1.00 0.00 H new ATOM 267 N GLY A 18 -3.312 -5.859 -2.176 1.00 0.00 N ATOM 268 CA GLY A 18 -4.473 -5.192 -2.697 1.00 0.00 C ATOM 269 C GLY A 18 -4.907 -4.089 -1.761 1.00 0.00 C ATOM 270 O GLY A 18 -4.958 -2.919 -2.139 1.00 0.00 O ATOM 0 H GLY A 18 -3.433 -6.850 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.252 -4.778 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.284 -5.908 -2.827 1.00 0.00 H new ATOM 274 N LEU A 19 -5.195 -4.465 -0.519 1.00 0.00 N ATOM 275 CA LEU A 19 -5.619 -3.508 0.485 1.00 0.00 C ATOM 276 C LEU A 19 -4.506 -2.535 0.864 1.00 0.00 C ATOM 277 O LEU A 19 -4.788 -1.422 1.301 1.00 0.00 O ATOM 278 CB LEU A 19 -6.115 -4.235 1.735 1.00 0.00 C ATOM 279 CG LEU A 19 -7.288 -5.190 1.508 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.686 -5.867 2.810 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.472 -4.445 0.910 1.00 0.00 C ATOM 0 H LEU A 19 -5.141 -5.428 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.432 -2.927 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.285 -4.799 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.410 -3.492 2.476 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.974 -5.960 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.522 -6.542 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.840 -6.433 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.982 -5.111 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.298 -5.139 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.786 -3.654 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.182 -4.007 -0.045 1.00 0.00 H new ATOM 293 N ALA A 20 -3.240 -2.935 0.714 1.00 0.00 N ATOM 294 CA ALA A 20 -2.153 -2.041 1.081 1.00 0.00 C ATOM 295 C ALA A 20 -1.772 -1.130 -0.063 1.00 0.00 C ATOM 296 O ALA A 20 -2.029 0.071 -0.018 1.00 0.00 O ATOM 297 CB ALA A 20 -0.949 -2.828 1.554 1.00 0.00 C ATOM 0 H ALA A 20 -2.954 -3.845 0.352 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.506 -1.416 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.148 -2.140 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.223 -3.424 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.608 -3.487 0.755 1.00 0.00 H new ATOM 303 N ALA A 21 -1.159 -1.695 -1.090 1.00 0.00 N ATOM 304 CA ALA A 21 -0.753 -0.910 -2.239 1.00 0.00 C ATOM 305 C ALA A 21 -1.906 -0.019 -2.700 1.00 0.00 C ATOM 306 O ALA A 21 -1.698 1.142 -3.056 1.00 0.00 O ATOM 307 CB ALA A 21 -0.291 -1.817 -3.370 1.00 0.00 C ATOM 0 H ALA A 21 -0.934 -2.688 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 21 0.084 -0.275 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.010 -1.210 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.556 -2.415 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.107 -2.477 -3.664 1.00 0.00 H new ATOM 313 N ILE A 22 -3.130 -0.559 -2.672 1.00 0.00 N ATOM 314 CA ILE A 22 -4.293 0.216 -3.073 1.00 0.00 C ATOM 315 C ILE A 22 -4.824 1.031 -1.898 1.00 0.00 C ATOM 316 O ILE A 22 -5.319 2.139 -2.091 1.00 0.00 O ATOM 317 CB ILE A 22 -5.423 -0.665 -3.650 1.00 0.00 C ATOM 318 CG1 ILE A 22 -4.969 -1.351 -4.945 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.671 0.169 -3.911 1.00 0.00 C ATOM 320 CD1 ILE A 22 -3.709 -2.177 -4.803 1.00 0.00 C ATOM 0 H ILE A 22 -3.332 -1.515 -2.380 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.963 0.887 -3.866 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.662 -1.433 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.773 -1.994 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.806 -0.590 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.456 -0.469 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.013 0.615 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.438 0.958 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.458 -2.627 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.889 -1.537 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.871 -2.963 -4.066 1.00 0.00 H new ATOM 332 N GLY A 23 -4.697 0.510 -0.670 1.00 0.00 N ATOM 333 CA GLY A 23 -5.156 1.271 0.475 1.00 0.00 C ATOM 334 C GLY A 23 -4.468 2.614 0.511 1.00 0.00 C ATOM 335 O GLY A 23 -5.104 3.659 0.674 1.00 0.00 O ATOM 0 H GLY A 23 -4.294 -0.403 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.236 1.408 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.949 0.722 1.394 1.00 0.00 H new ATOM 339 N ALA A 24 -3.156 2.577 0.311 1.00 0.00 N ATOM 340 CA ALA A 24 -2.352 3.779 0.275 1.00 0.00 C ATOM 341 C ALA A 24 -2.653 4.561 -0.993 1.00 0.00 C ATOM 342 O ALA A 24 -2.903 5.759 -0.942 1.00 0.00 O ATOM 343 CB ALA A 24 -0.874 3.429 0.350 1.00 0.00 C ATOM 0 H ALA A 24 -2.628 1.716 0.171 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.599 4.399 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.282 4.344 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.673 2.895 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.606 2.797 -0.497 1.00 0.00 H new ATOM 349 N ALA A 25 -2.646 3.870 -2.136 1.00 0.00 N ATOM 350 CA ALA A 25 -2.939 4.520 -3.412 1.00 0.00 C ATOM 351 C ALA A 25 -4.206 5.369 -3.306 1.00 0.00 C ATOM 352 O ALA A 25 -4.159 6.599 -3.395 1.00 0.00 O ATOM 353 CB ALA A 25 -3.086 3.480 -4.513 1.00 0.00 C ATOM 0 H ALA A 25 -2.443 2.873 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.107 5.178 -3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.304 3.978 -5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.158 2.915 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.901 2.800 -4.265 1.00 0.00 H new ATOM 359 N ILE A 26 -5.337 4.702 -3.093 1.00 0.00 N ATOM 360 CA ILE A 26 -6.616 5.388 -2.953 1.00 0.00 C ATOM 361 C ILE A 26 -6.507 6.506 -1.937 1.00 0.00 C ATOM 362 O ILE A 26 -6.942 7.617 -2.201 1.00 0.00 O ATOM 363 CB ILE A 26 -7.738 4.423 -2.528 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.854 3.269 -3.526 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.064 5.161 -2.413 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.159 3.719 -4.938 1.00 0.00 C ATOM 0 H ILE A 26 -5.393 3.687 -3.014 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.869 5.800 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.487 4.013 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.921 2.705 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.638 2.589 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.844 4.462 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.977 5.951 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.322 5.599 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.227 2.849 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.107 4.258 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.363 4.375 -5.291 1.00 0.00 H new ATOM 378 N GLY A 27 -5.908 6.221 -0.783 1.00 0.00 N ATOM 379 CA GLY A 27 -5.753 7.257 0.218 1.00 0.00 C ATOM 380 C GLY A 27 -5.108 8.486 -0.365 1.00 0.00 C ATOM 381 O GLY A 27 -5.709 9.546 -0.392 1.00 0.00 O ATOM 0 H GLY A 27 -5.534 5.307 -0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.728 7.516 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.147 6.882 1.043 1.00 0.00 H new ATOM 385 N ILE A 28 -3.891 8.333 -0.867 1.00 0.00 N ATOM 386 CA ILE A 28 -3.185 9.444 -1.488 1.00 0.00 C ATOM 387 C ILE A 28 -4.141 10.212 -2.389 1.00 0.00 C ATOM 388 O ILE A 28 -4.074 11.436 -2.497 1.00 0.00 O ATOM 389 CB ILE A 28 -1.992 8.946 -2.326 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.052 8.110 -1.461 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.246 10.120 -2.943 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.084 7.269 -2.263 1.00 0.00 C ATOM 0 H ILE A 28 -3.374 7.454 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.807 10.092 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.372 8.320 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.488 8.773 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.645 7.457 -0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.407 9.749 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.921 10.682 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.875 10.771 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.553 6.701 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.641 6.581 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.534 7.918 -2.884 1.00 0.00 H new ATOM 404 N GLY A 29 -5.055 9.469 -3.011 1.00 0.00 N ATOM 405 CA GLY A 29 -6.040 10.077 -3.878 1.00 0.00 C ATOM 406 C GLY A 29 -7.104 10.817 -3.094 1.00 0.00 C ATOM 407 O GLY A 29 -7.503 11.921 -3.467 1.00 0.00 O ATOM 0 H GLY A 29 -5.127 8.455 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.545 10.768 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.510 9.307 -4.490 1.00 0.00 H new ATOM 411 N ILE A 30 -7.560 10.214 -1.998 1.00 0.00 N ATOM 412 CA ILE A 30 -8.581 10.842 -1.164 1.00 0.00 C ATOM 413 C ILE A 30 -7.972 11.968 -0.335 1.00 0.00 C ATOM 414 O ILE A 30 -8.311 13.141 -0.503 1.00 0.00 O ATOM 415 CB ILE A 30 -9.244 9.817 -0.220 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.840 8.662 -1.025 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.319 10.485 0.627 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.899 9.097 -2.015 1.00 0.00 C ATOM 0 H ILE A 30 -7.243 9.302 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.343 11.248 -1.830 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.480 9.419 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.039 8.153 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.274 7.936 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.775 9.746 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.870 11.277 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.083 10.911 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.277 8.226 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.719 9.579 -1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.465 9.800 -2.727 1.00 0.00 H new ATOM 430 N LEU A 31 -7.057 11.593 0.545 1.00 0.00 N ATOM 431 CA LEU A 31 -6.367 12.539 1.401 1.00 0.00 C ATOM 432 C LEU A 31 -5.654 13.594 0.567 1.00 0.00 C ATOM 433 O LEU A 31 -5.733 14.778 0.867 1.00 0.00 O ATOM 434 CB LEU A 31 -5.361 11.800 2.286 1.00 0.00 C ATOM 435 CG LEU A 31 -5.427 12.153 3.771 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.389 11.365 4.554 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.229 13.649 3.972 1.00 0.00 C ATOM 0 H LEU A 31 -6.773 10.623 0.684 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.101 13.038 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.521 10.728 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.356 12.011 1.922 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.414 11.884 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.451 11.630 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.577 10.298 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.393 11.602 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.279 13.883 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.255 13.943 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.011 14.194 3.443 1.00 0.00 H new ATOM 449 N GLY A 32 -4.959 13.155 -0.482 1.00 0.00 N ATOM 450 CA GLY A 32 -4.249 14.089 -1.337 1.00 0.00 C ATOM 451 C GLY A 32 -5.188 14.989 -2.113 1.00 0.00 C ATOM 452 O GLY A 32 -4.939 16.187 -2.250 1.00 0.00 O ATOM 0 H GLY A 32 -4.876 12.175 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.584 14.701 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.622 13.534 -2.035 1.00 0.00 H new ATOM 456 N GLY A 33 -6.274 14.412 -2.621 1.00 0.00 N ATOM 457 CA GLY A 33 -7.236 15.188 -3.380 1.00 0.00 C ATOM 458 C GLY A 33 -7.817 16.336 -2.577 1.00 0.00 C ATOM 459 O GLY A 33 -8.025 17.428 -3.105 1.00 0.00 O ATOM 0 H GLY A 33 -6.503 13.423 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.755 15.582 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.044 14.536 -3.712 1.00 0.00 H new ATOM 463 N LYS A 34 -8.082 16.088 -1.298 1.00 0.00 N ATOM 464 CA LYS A 34 -8.646 17.113 -0.423 1.00 0.00 C ATOM 465 C LYS A 34 -7.551 17.972 0.206 1.00 0.00 C ATOM 466 O LYS A 34 -7.781 19.133 0.547 1.00 0.00 O ATOM 467 CB LYS A 34 -9.490 16.463 0.674 1.00 0.00 C ATOM 468 CG LYS A 34 -10.655 15.645 0.141 1.00 0.00 C ATOM 469 CD LYS A 34 -11.463 15.024 1.269 1.00 0.00 C ATOM 470 CE LYS A 34 -12.629 14.208 0.736 1.00 0.00 C ATOM 471 NZ LYS A 34 -13.564 15.039 -0.071 1.00 0.00 N ATOM 0 H LYS A 34 -7.916 15.190 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.278 17.760 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.851 15.819 1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.875 17.241 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.301 16.282 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.279 14.859 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.817 14.386 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.837 15.810 1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.250 13.390 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.169 13.759 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.459 14.526 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.747 15.935 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.140 15.237 -1.000 1.00 0.00 H new ATOM 485 N PHE A 35 -6.364 17.394 0.367 1.00 0.00 N ATOM 486 CA PHE A 35 -5.237 18.102 0.964 1.00 0.00 C ATOM 487 C PHE A 35 -4.948 19.401 0.216 1.00 0.00 C ATOM 488 O PHE A 35 -4.781 20.458 0.824 1.00 0.00 O ATOM 489 CB PHE A 35 -3.993 17.211 0.945 1.00 0.00 C ATOM 490 CG PHE A 35 -3.158 17.311 2.186 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.656 16.882 3.405 1.00 0.00 C ATOM 492 CD2 PHE A 35 -1.876 17.830 2.134 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.890 16.969 4.550 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.106 17.919 3.275 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.613 17.488 4.485 1.00 0.00 C ATOM 0 H PHE A 35 -6.158 16.434 0.091 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.496 18.347 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.302 16.175 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.380 17.477 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.655 16.475 3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.474 18.169 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.289 16.632 5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.107 18.326 3.222 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.011 17.557 5.379 1.00 0.00 H new ATOM 505 N LEU A 36 -4.881 19.308 -1.108 1.00 0.00 N ATOM 506 CA LEU A 36 -4.602 20.468 -1.948 1.00 0.00 C ATOM 507 C LEU A 36 -5.659 21.554 -1.769 1.00 0.00 C ATOM 508 O LEU A 36 -5.333 22.738 -1.688 1.00 0.00 O ATOM 509 CB LEU A 36 -4.529 20.052 -3.418 1.00 0.00 C ATOM 510 CG LEU A 36 -4.222 21.186 -4.396 1.00 0.00 C ATOM 511 CD1 LEU A 36 -2.870 21.809 -4.083 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.260 20.679 -5.829 1.00 0.00 C ATOM 0 H LEU A 36 -5.017 18.439 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.640 20.877 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.764 19.283 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.479 19.597 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.987 21.954 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.668 22.614 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.880 22.209 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.092 21.050 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.039 21.500 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.517 19.892 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.251 20.282 -6.048 1.00 0.00 H new ATOM 524 N GLU A 37 -6.925 21.149 -1.713 1.00 0.00 N ATOM 525 CA GLU A 37 -8.026 22.096 -1.548 1.00 0.00 C ATOM 526 C GLU A 37 -7.736 23.087 -0.425 1.00 0.00 C ATOM 527 O GLU A 37 -8.168 24.238 -0.472 1.00 0.00 O ATOM 528 CB GLU A 37 -9.332 21.353 -1.266 1.00 0.00 C ATOM 529 CG GLU A 37 -9.758 20.426 -2.393 1.00 0.00 C ATOM 530 CD GLU A 37 -11.076 19.732 -2.108 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.089 20.437 -1.914 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.096 18.483 -2.082 1.00 0.00 O ATOM 0 H GLU A 37 -7.214 20.173 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.129 22.654 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.220 20.772 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.123 22.081 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.845 20.998 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.984 19.676 -2.554 1.00 0.00 H new ATOM 539 N GLY A 38 -6.993 22.634 0.578 1.00 0.00 N ATOM 540 CA GLY A 38 -6.649 23.496 1.691 1.00 0.00 C ATOM 541 C GLY A 38 -5.294 24.149 1.503 1.00 0.00 C ATOM 542 O GLY A 38 -5.099 25.309 1.866 1.00 0.00 O ATOM 0 H GLY A 38 -6.623 21.685 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.411 24.267 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.647 22.915 2.613 1.00 0.00 H new ATOM 546 N ALA A 39 -4.358 23.398 0.933 1.00 0.00 N ATOM 547 CA ALA A 39 -3.017 23.895 0.692 1.00 0.00 C ATOM 548 C ALA A 39 -3.006 24.966 -0.393 1.00 0.00 C ATOM 549 O ALA A 39 -2.118 25.818 -0.429 1.00 0.00 O ATOM 550 CB ALA A 39 -2.093 22.748 0.312 1.00 0.00 C ATOM 0 H ALA A 39 -4.510 22.436 0.629 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.658 24.352 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.089 23.133 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.064 22.021 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.463 22.267 -0.593 1.00 0.00 H new ATOM 556 N ALA A 40 -3.995 24.917 -1.282 1.00 0.00 N ATOM 557 CA ALA A 40 -4.096 25.879 -2.369 1.00 0.00 C ATOM 558 C ALA A 40 -4.110 27.306 -1.840 1.00 0.00 C ATOM 559 O ALA A 40 -3.558 28.216 -2.458 1.00 0.00 O ATOM 560 CB ALA A 40 -5.342 25.607 -3.198 1.00 0.00 C ATOM 0 H ALA A 40 -4.738 24.218 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.218 25.766 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.406 26.334 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.289 24.602 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.225 25.691 -2.565 1.00 0.00 H new ATOM 566 N ARG A 41 -4.742 27.491 -0.688 1.00 0.00 N ATOM 567 CA ARG A 41 -4.826 28.809 -0.066 1.00 0.00 C ATOM 568 C ARG A 41 -3.451 29.293 0.374 1.00 0.00 C ATOM 569 O ARG A 41 -3.065 30.430 0.106 1.00 0.00 O ATOM 570 CB ARG A 41 -5.769 28.777 1.137 1.00 0.00 C ATOM 571 CG ARG A 41 -7.238 28.658 0.766 1.00 0.00 C ATOM 572 CD ARG A 41 -7.529 27.375 0.002 1.00 0.00 C ATOM 573 NE ARG A 41 -8.955 27.212 -0.273 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.877 27.021 0.669 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.524 26.923 1.945 1.00 0.00 N ATOM 576 NH2 ARG A 41 -11.155 26.916 0.332 1.00 0.00 N ATOM 0 H ARG A 41 -5.204 26.747 -0.165 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.219 29.502 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.497 27.938 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.625 29.685 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.844 28.687 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.530 29.516 0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.977 27.380 -0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.171 26.521 0.578 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.263 27.247 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.541 26.994 2.209 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.235 26.777 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.431 26.981 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.862 26.770 1.052 1.00 0.00 H new ATOM 590 N GLN A 42 -2.719 28.423 1.058 1.00 0.00 N ATOM 591 CA GLN A 42 -1.388 28.762 1.543 1.00 0.00 C ATOM 592 C GLN A 42 -0.335 28.517 0.463 1.00 0.00 C ATOM 593 O GLN A 42 -0.564 27.748 -0.470 1.00 0.00 O ATOM 594 CB GLN A 42 -1.055 27.944 2.794 1.00 0.00 C ATOM 595 CG GLN A 42 -1.950 28.253 3.985 1.00 0.00 C ATOM 596 CD GLN A 42 -3.408 27.924 3.727 1.00 0.00 C ATOM 597 OE1 GLN A 42 -3.758 26.777 3.450 1.00 0.00 O ATOM 598 NE2 GLN A 42 -4.266 28.933 3.815 1.00 0.00 N ATOM 0 H GLN A 42 -3.025 27.478 1.289 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.380 29.822 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.136 26.883 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.018 28.130 3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.603 27.689 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.860 29.310 4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.931 29.868 4.047 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.260 28.773 3.650 1.00 0.00 H new ATOM 607 N PRO A 43 0.841 29.162 0.577 1.00 0.00 N ATOM 608 CA PRO A 43 1.924 28.995 -0.396 1.00 0.00 C ATOM 609 C PRO A 43 2.294 27.533 -0.579 1.00 0.00 C ATOM 610 O PRO A 43 1.920 26.686 0.227 1.00 0.00 O ATOM 611 CB PRO A 43 3.098 29.779 0.212 1.00 0.00 C ATOM 612 CG PRO A 43 2.713 30.041 1.630 1.00 0.00 C ATOM 613 CD PRO A 43 1.213 30.089 1.655 1.00 0.00 C ATOM 0 HA PRO A 43 1.641 29.352 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.023 29.205 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.268 30.711 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.088 29.256 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.138 30.981 1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.814 29.771 2.618 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.837 31.095 1.471 1.00 0.00 H new ATOM 621 N ASP A 44 3.030 27.236 -1.644 1.00 0.00 N ATOM 622 CA ASP A 44 3.443 25.866 -1.923 1.00 0.00 C ATOM 623 C ASP A 44 4.772 25.546 -1.246 1.00 0.00 C ATOM 624 O ASP A 44 5.543 24.720 -1.734 1.00 0.00 O ATOM 625 CB ASP A 44 3.560 25.642 -3.431 1.00 0.00 C ATOM 626 CG ASP A 44 4.578 26.564 -4.074 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.402 27.797 -3.984 1.00 0.00 O ATOM 628 OD2 ASP A 44 5.551 26.053 -4.667 1.00 0.00 O ATOM 0 H ASP A 44 3.352 27.923 -2.326 1.00 0.00 H new ATOM 0 HA ASP A 44 2.682 25.198 -1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.841 24.606 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.587 25.799 -3.896 1.00 0.00 H new ATOM 633 N LEU A 45 5.036 26.203 -0.121 1.00 0.00 N ATOM 634 CA LEU A 45 6.276 25.982 0.614 1.00 0.00 C ATOM 635 C LEU A 45 6.041 25.132 1.854 1.00 0.00 C ATOM 636 O LEU A 45 6.743 24.148 2.089 1.00 0.00 O ATOM 637 CB LEU A 45 6.906 27.319 1.010 1.00 0.00 C ATOM 638 CG LEU A 45 8.207 27.214 1.807 1.00 0.00 C ATOM 639 CD1 LEU A 45 9.284 26.516 0.990 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.677 28.595 2.242 1.00 0.00 C ATOM 0 H LEU A 45 4.411 26.890 0.300 1.00 0.00 H new ATOM 0 HA LEU A 45 6.960 25.444 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.099 27.894 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.183 27.883 1.598 1.00 0.00 H new ATOM 0 HG LEU A 45 8.015 26.617 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.201 26.452 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.949 25.512 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.474 27.083 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.604 28.502 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.850 29.215 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.914 29.058 2.868 1.00 0.00 H new ATOM 652 N ILE A 46 5.061 25.526 2.648 1.00 0.00 N ATOM 653 CA ILE A 46 4.735 24.818 3.874 1.00 0.00 C ATOM 654 C ILE A 46 3.855 23.597 3.615 1.00 0.00 C ATOM 655 O ILE A 46 4.215 22.485 4.001 1.00 0.00 O ATOM 656 CB ILE A 46 4.032 25.757 4.869 1.00 0.00 C ATOM 657 CG1 ILE A 46 4.983 26.869 5.324 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.496 24.987 6.070 1.00 0.00 C ATOM 659 CD1 ILE A 46 5.413 27.799 4.209 1.00 0.00 C ATOM 0 H ILE A 46 4.473 26.339 2.464 1.00 0.00 H new ATOM 0 HA ILE A 46 5.676 24.471 4.301 1.00 0.00 H new ATOM 0 HB ILE A 46 3.184 26.212 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.496 27.454 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.869 26.417 5.770 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.005 25.678 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.779 24.239 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.321 24.493 6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.085 28.559 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.929 27.228 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.535 28.280 3.778 1.00 0.00 H new ATOM 671 N PRO A 47 2.688 23.769 2.972 1.00 0.00 N ATOM 672 CA PRO A 47 1.793 22.648 2.705 1.00 0.00 C ATOM 673 C PRO A 47 2.416 21.633 1.763 1.00 0.00 C ATOM 674 O PRO A 47 2.089 20.450 1.809 1.00 0.00 O ATOM 675 CB PRO A 47 0.557 23.293 2.078 1.00 0.00 C ATOM 676 CG PRO A 47 1.032 24.601 1.554 1.00 0.00 C ATOM 677 CD PRO A 47 2.142 25.042 2.469 1.00 0.00 C ATOM 0 HA PRO A 47 1.563 22.089 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.149 22.672 1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.235 23.427 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.389 24.503 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.224 25.332 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.896 25.622 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.771 25.669 3.279 1.00 0.00 H new ATOM 685 N LEU A 48 3.333 22.090 0.925 1.00 0.00 N ATOM 686 CA LEU A 48 4.013 21.197 0.003 1.00 0.00 C ATOM 687 C LEU A 48 4.748 20.122 0.799 1.00 0.00 C ATOM 688 O LEU A 48 4.914 18.994 0.338 1.00 0.00 O ATOM 689 CB LEU A 48 4.989 21.986 -0.877 1.00 0.00 C ATOM 690 CG LEU A 48 5.656 21.196 -2.009 1.00 0.00 C ATOM 691 CD1 LEU A 48 6.390 22.140 -2.950 1.00 0.00 C ATOM 692 CD2 LEU A 48 6.620 20.156 -1.452 1.00 0.00 C ATOM 0 H LEU A 48 3.621 23.067 0.865 1.00 0.00 H new ATOM 0 HA LEU A 48 3.283 20.720 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.454 22.829 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.770 22.400 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 48 4.876 20.676 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.859 21.566 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.682 22.848 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.156 22.683 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.080 19.609 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.395 20.654 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.076 19.460 -0.813 1.00 0.00 H new ATOM 704 N LEU A 49 5.176 20.495 2.007 1.00 0.00 N ATOM 705 CA LEU A 49 5.893 19.588 2.895 1.00 0.00 C ATOM 706 C LEU A 49 4.962 18.494 3.412 1.00 0.00 C ATOM 707 O LEU A 49 5.284 17.307 3.352 1.00 0.00 O ATOM 708 CB LEU A 49 6.511 20.386 4.059 1.00 0.00 C ATOM 709 CG LEU A 49 5.717 20.425 5.374 1.00 0.00 C ATOM 710 CD1 LEU A 49 5.762 19.076 6.079 1.00 0.00 C ATOM 711 CD2 LEU A 49 6.259 21.519 6.282 1.00 0.00 C ATOM 0 H LEU A 49 5.035 21.429 2.392 1.00 0.00 H new ATOM 0 HA LEU A 49 6.695 19.103 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.496 19.970 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.663 21.412 3.724 1.00 0.00 H new ATOM 0 HG LEU A 49 4.676 20.647 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.192 19.131 7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.329 18.313 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.797 18.817 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.688 21.537 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.308 21.321 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.170 22.484 5.783 1.00 0.00 H new ATOM 723 N ARG A 50 3.804 18.898 3.913 1.00 0.00 N ATOM 724 CA ARG A 50 2.832 17.938 4.423 1.00 0.00 C ATOM 725 C ARG A 50 2.174 17.195 3.272 1.00 0.00 C ATOM 726 O ARG A 50 1.936 15.987 3.342 1.00 0.00 O ATOM 727 CB ARG A 50 1.771 18.630 5.279 1.00 0.00 C ATOM 728 CG ARG A 50 1.263 19.935 4.688 1.00 0.00 C ATOM 729 CD ARG A 50 -0.076 20.329 5.285 1.00 0.00 C ATOM 730 NE ARG A 50 -0.386 21.741 5.068 1.00 0.00 N ATOM 731 CZ ARG A 50 0.289 22.742 5.628 1.00 0.00 C ATOM 732 NH1 ARG A 50 1.301 22.493 6.450 1.00 0.00 N ATOM 733 NH2 ARG A 50 -0.051 23.997 5.369 1.00 0.00 N ATOM 0 H ARG A 50 3.515 19.874 3.978 1.00 0.00 H new ATOM 0 HA ARG A 50 3.361 17.223 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.929 17.952 5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.186 18.827 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.991 20.726 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.165 19.833 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.862 19.715 4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.070 20.121 6.355 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.165 21.973 4.452 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.566 21.530 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.814 23.265 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.830 24.195 4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.466 24.764 5.798 1.00 0.00 H new ATOM 747 N THR A 51 1.898 17.930 2.206 1.00 0.00 N ATOM 748 CA THR A 51 1.281 17.360 1.021 1.00 0.00 C ATOM 749 C THR A 51 2.109 16.195 0.503 1.00 0.00 C ATOM 750 O THR A 51 1.571 15.151 0.139 1.00 0.00 O ATOM 751 CB THR A 51 1.154 18.430 -0.058 1.00 0.00 C ATOM 752 OG1 THR A 51 0.315 19.485 0.378 1.00 0.00 O ATOM 753 CG2 THR A 51 0.595 17.910 -1.366 1.00 0.00 C ATOM 0 H THR A 51 2.094 18.929 2.139 1.00 0.00 H new ATOM 0 HA THR A 51 0.288 16.993 1.281 1.00 0.00 H new ATOM 0 HB THR A 51 2.172 18.778 -0.234 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.676 19.871 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.533 18.726 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.249 17.131 -1.757 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.400 17.498 -1.198 1.00 0.00 H new ATOM 761 N GLN A 52 3.424 16.376 0.485 1.00 0.00 N ATOM 762 CA GLN A 52 4.319 15.326 0.022 1.00 0.00 C ATOM 763 C GLN A 52 4.361 14.198 1.033 1.00 0.00 C ATOM 764 O GLN A 52 4.302 13.022 0.681 1.00 0.00 O ATOM 765 CB GLN A 52 5.726 15.874 -0.205 1.00 0.00 C ATOM 766 CG GLN A 52 6.326 16.549 1.013 1.00 0.00 C ATOM 767 CD GLN A 52 7.760 16.988 0.790 1.00 0.00 C ATOM 768 OE1 GLN A 52 8.045 17.790 -0.099 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.672 16.463 1.600 1.00 0.00 N ATOM 0 H GLN A 52 3.890 17.233 0.783 1.00 0.00 H new ATOM 0 HA GLN A 52 3.940 14.945 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.378 15.057 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.699 16.588 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.721 17.417 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.287 15.863 1.860 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.391 15.801 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.654 16.721 1.498 1.00 0.00 H new ATOM 778 N PHE A 53 4.453 14.574 2.297 1.00 0.00 N ATOM 779 CA PHE A 53 4.491 13.611 3.389 1.00 0.00 C ATOM 780 C PHE A 53 3.376 12.584 3.246 1.00 0.00 C ATOM 781 O PHE A 53 3.565 11.406 3.537 1.00 0.00 O ATOM 782 CB PHE A 53 4.364 14.336 4.729 1.00 0.00 C ATOM 783 CG PHE A 53 4.375 13.415 5.918 1.00 0.00 C ATOM 784 CD1 PHE A 53 5.463 12.594 6.164 1.00 0.00 C ATOM 785 CD2 PHE A 53 3.298 13.373 6.789 1.00 0.00 C ATOM 786 CE1 PHE A 53 5.477 11.747 7.256 1.00 0.00 C ATOM 787 CE2 PHE A 53 3.306 12.529 7.882 1.00 0.00 C ATOM 788 CZ PHE A 53 4.397 11.715 8.116 1.00 0.00 C ATOM 0 H PHE A 53 4.503 15.548 2.596 1.00 0.00 H new ATOM 0 HA PHE A 53 5.446 13.088 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.183 15.049 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.438 14.911 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.310 12.616 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.442 14.008 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.331 11.111 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.460 12.505 8.553 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.405 11.054 8.970 1.00 0.00 H new ATOM 798 N PHE A 54 2.213 13.039 2.791 1.00 0.00 N ATOM 799 CA PHE A 54 1.073 12.147 2.608 1.00 0.00 C ATOM 800 C PHE A 54 1.181 11.366 1.302 1.00 0.00 C ATOM 801 O PHE A 54 1.146 10.133 1.305 1.00 0.00 O ATOM 802 CB PHE A 54 -0.239 12.930 2.665 1.00 0.00 C ATOM 803 CG PHE A 54 -0.687 13.218 4.071 1.00 0.00 C ATOM 804 CD1 PHE A 54 -1.016 12.177 4.924 1.00 0.00 C ATOM 805 CD2 PHE A 54 -0.773 14.518 4.541 1.00 0.00 C ATOM 806 CE1 PHE A 54 -1.424 12.426 6.221 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.181 14.773 5.838 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.506 13.725 6.677 1.00 0.00 C ATOM 0 H PHE A 54 2.035 14.013 2.544 1.00 0.00 H new ATOM 0 HA PHE A 54 1.080 11.426 3.425 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.119 13.871 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.016 12.365 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.953 11.158 4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.519 15.340 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.678 11.605 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.245 15.791 6.194 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.824 13.923 7.690 1.00 0.00 H new ATOM 818 N ILE A 55 1.326 12.079 0.186 1.00 0.00 N ATOM 819 CA ILE A 55 1.453 11.430 -1.115 1.00 0.00 C ATOM 820 C ILE A 55 2.490 10.310 -1.057 1.00 0.00 C ATOM 821 O ILE A 55 2.278 9.223 -1.594 1.00 0.00 O ATOM 822 CB ILE A 55 1.845 12.443 -2.211 1.00 0.00 C ATOM 823 CG1 ILE A 55 0.756 13.509 -2.361 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.077 11.735 -3.537 1.00 0.00 C ATOM 825 CD1 ILE A 55 1.088 14.574 -3.382 1.00 0.00 C ATOM 0 H ILE A 55 1.358 13.098 0.157 1.00 0.00 H new ATOM 0 HA ILE A 55 0.481 11.007 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 55 2.774 12.930 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.178 13.025 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.588 13.984 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.352 12.466 -4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.881 11.008 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.164 11.223 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.272 15.295 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.005 15.085 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.226 14.111 -4.359 1.00 0.00 H new ATOM 837 N VAL A 56 3.603 10.576 -0.383 1.00 0.00 N ATOM 838 CA VAL A 56 4.659 9.584 -0.238 1.00 0.00 C ATOM 839 C VAL A 56 4.278 8.564 0.820 1.00 0.00 C ATOM 840 O VAL A 56 4.467 7.363 0.627 1.00 0.00 O ATOM 841 CB VAL A 56 6.004 10.235 0.132 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.105 9.188 0.215 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.365 11.322 -0.869 1.00 0.00 C ATOM 0 H VAL A 56 3.796 11.469 0.071 1.00 0.00 H new ATOM 0 HA VAL A 56 4.777 9.087 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 56 5.903 10.696 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.047 9.670 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.850 8.451 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.208 8.692 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.319 11.771 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.445 10.887 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.590 12.088 -0.869 1.00 0.00 H new ATOM 853 N MET A 57 3.712 9.037 1.930 1.00 0.00 N ATOM 854 CA MET A 57 3.277 8.139 2.996 1.00 0.00 C ATOM 855 C MET A 57 2.475 6.984 2.403 1.00 0.00 C ATOM 856 O MET A 57 2.471 5.876 2.940 1.00 0.00 O ATOM 857 CB MET A 57 2.432 8.892 4.028 1.00 0.00 C ATOM 858 CG MET A 57 1.783 7.989 5.066 1.00 0.00 C ATOM 859 SD MET A 57 0.848 8.911 6.303 1.00 0.00 S ATOM 860 CE MET A 57 0.242 7.577 7.332 1.00 0.00 C ATOM 0 H MET A 57 3.546 10.027 2.113 1.00 0.00 H new ATOM 0 HA MET A 57 4.159 7.743 3.500 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.062 9.621 4.537 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.654 9.451 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.119 7.285 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.554 7.401 5.563 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.357 7.988 8.145 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.372 6.905 6.732 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.086 7.025 7.746 1.00 0.00 H new ATOM 870 N GLY A 58 1.806 7.257 1.285 1.00 0.00 N ATOM 871 CA GLY A 58 1.021 6.235 0.626 1.00 0.00 C ATOM 872 C GLY A 58 1.817 5.465 -0.410 1.00 0.00 C ATOM 873 O GLY A 58 1.766 4.236 -0.453 1.00 0.00 O ATOM 0 H GLY A 58 1.796 8.168 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.636 5.540 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.159 6.698 0.146 1.00 0.00 H new ATOM 877 N LEU A 59 2.563 6.187 -1.241 1.00 0.00 N ATOM 878 CA LEU A 59 3.381 5.560 -2.275 1.00 0.00 C ATOM 879 C LEU A 59 4.439 4.637 -1.665 1.00 0.00 C ATOM 880 O LEU A 59 5.037 3.818 -2.363 1.00 0.00 O ATOM 881 CB LEU A 59 4.057 6.631 -3.135 1.00 0.00 C ATOM 882 CG LEU A 59 3.111 7.450 -4.014 1.00 0.00 C ATOM 883 CD1 LEU A 59 3.888 8.487 -4.812 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.327 6.537 -4.945 1.00 0.00 C ATOM 0 H LEU A 59 2.618 7.205 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 59 2.724 4.956 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.600 7.312 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.796 6.148 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 59 2.405 7.972 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.199 9.060 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.406 9.159 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.617 7.985 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.658 7.136 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.019 5.988 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.741 5.832 -4.355 1.00 0.00 H new ATOM 896 N VAL A 60 4.669 4.782 -0.363 1.00 0.00 N ATOM 897 CA VAL A 60 5.658 3.975 0.343 1.00 0.00 C ATOM 898 C VAL A 60 5.008 2.800 1.060 1.00 0.00 C ATOM 899 O VAL A 60 5.651 1.790 1.331 1.00 0.00 O ATOM 900 CB VAL A 60 6.408 4.827 1.376 1.00 0.00 C ATOM 901 CG1 VAL A 60 5.506 5.189 2.548 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.668 4.119 1.852 1.00 0.00 C ATOM 0 H VAL A 60 4.180 5.455 0.227 1.00 0.00 H new ATOM 0 HA VAL A 60 6.355 3.594 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 60 6.708 5.755 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.064 5.793 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.649 5.756 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.159 4.278 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.182 4.743 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.399 3.168 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.327 3.938 1.003 1.00 0.00 H new ATOM 912 N ASP A 61 3.739 2.965 1.391 1.00 0.00 N ATOM 913 CA ASP A 61 2.976 1.941 2.109 1.00 0.00 C ATOM 914 C ASP A 61 2.765 0.678 1.267 1.00 0.00 C ATOM 915 O ASP A 61 2.518 -0.400 1.807 1.00 0.00 O ATOM 916 CB ASP A 61 1.621 2.504 2.526 1.00 0.00 C ATOM 917 CG ASP A 61 0.867 1.582 3.465 1.00 0.00 C ATOM 918 OD1 ASP A 61 1.410 0.513 3.814 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.267 1.931 3.854 1.00 0.00 O ATOM 0 H ASP A 61 3.204 3.806 1.174 1.00 0.00 H new ATOM 0 HA ASP A 61 3.556 1.661 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.767 3.469 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.017 2.682 1.636 1.00 0.00 H new ATOM 924 N ALA A 62 2.850 0.820 -0.051 1.00 0.00 N ATOM 925 CA ALA A 62 2.659 -0.311 -0.967 1.00 0.00 C ATOM 926 C ALA A 62 3.923 -1.152 -1.087 1.00 0.00 C ATOM 927 O ALA A 62 3.905 -2.356 -0.849 1.00 0.00 O ATOM 928 CB ALA A 62 2.257 0.201 -2.342 1.00 0.00 C ATOM 0 H ALA A 62 3.050 1.706 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 62 1.869 -0.941 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.117 -0.643 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.326 0.762 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.040 0.851 -2.731 1.00 0.00 H new ATOM 934 N ILE A 63 5.014 -0.496 -1.453 1.00 0.00 N ATOM 935 CA ILE A 63 6.318 -1.141 -1.613 1.00 0.00 C ATOM 936 C ILE A 63 6.599 -2.239 -0.582 1.00 0.00 C ATOM 937 O ILE A 63 7.197 -3.264 -0.914 1.00 0.00 O ATOM 938 CB ILE A 63 7.442 -0.085 -1.535 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.682 0.513 -2.914 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.734 -0.678 -0.983 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.152 -0.518 -3.914 1.00 0.00 C ATOM 0 H ILE A 63 5.024 0.505 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 63 6.294 -1.620 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 63 7.122 0.699 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.761 0.971 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.425 1.307 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.501 0.095 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.557 -1.066 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.069 -1.488 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.309 -0.041 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.088 -0.958 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.398 -1.299 -4.012 1.00 0.00 H new ATOM 953 N PRO A 64 6.196 -2.049 0.679 1.00 0.00 N ATOM 954 CA PRO A 64 6.441 -3.021 1.729 1.00 0.00 C ATOM 955 C PRO A 64 5.399 -4.127 1.716 1.00 0.00 C ATOM 956 O PRO A 64 5.724 -5.305 1.567 1.00 0.00 O ATOM 957 CB PRO A 64 6.353 -2.180 3.021 1.00 0.00 C ATOM 958 CG PRO A 64 6.094 -0.770 2.569 1.00 0.00 C ATOM 959 CD PRO A 64 5.482 -0.893 1.206 1.00 0.00 C ATOM 0 HA PRO A 64 7.398 -3.532 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.552 -2.538 3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.278 -2.244 3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.422 -0.255 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.018 -0.193 2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.406 -1.060 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.641 -0.000 0.601 1.00 0.00 H new ATOM 967 N MET A 65 4.142 -3.732 1.848 1.00 0.00 N ATOM 968 CA MET A 65 3.039 -4.667 1.825 1.00 0.00 C ATOM 969 C MET A 65 3.024 -5.445 0.515 1.00 0.00 C ATOM 970 O MET A 65 2.560 -6.584 0.465 1.00 0.00 O ATOM 971 CB MET A 65 1.730 -3.903 2.010 1.00 0.00 C ATOM 972 CG MET A 65 1.302 -3.782 3.465 1.00 0.00 C ATOM 973 SD MET A 65 1.009 -5.383 4.238 1.00 0.00 S ATOM 974 CE MET A 65 0.534 -4.881 5.890 1.00 0.00 C ATOM 0 H MET A 65 3.864 -2.759 1.973 1.00 0.00 H new ATOM 0 HA MET A 65 3.157 -5.383 2.638 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.838 -2.904 1.586 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.942 -4.405 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.072 -3.249 4.023 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.393 -3.183 3.524 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.320 -5.765 6.491 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.348 -4.319 6.348 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.356 -4.253 5.838 1.00 0.00 H new ATOM 984 N ILE A 66 3.543 -4.824 -0.543 1.00 0.00 N ATOM 985 CA ILE A 66 3.591 -5.465 -1.848 1.00 0.00 C ATOM 986 C ILE A 66 4.765 -6.423 -1.932 1.00 0.00 C ATOM 987 O ILE A 66 4.605 -7.560 -2.358 1.00 0.00 O ATOM 988 CB ILE A 66 3.666 -4.437 -3.000 1.00 0.00 C ATOM 989 CG1 ILE A 66 3.372 -5.115 -4.338 1.00 0.00 C ATOM 990 CG2 ILE A 66 5.028 -3.762 -3.038 1.00 0.00 C ATOM 991 CD1 ILE A 66 3.431 -4.172 -5.520 1.00 0.00 C ATOM 0 H ILE A 66 3.934 -3.882 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 66 2.662 -6.024 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 66 2.911 -3.671 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.088 -5.922 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.382 -5.570 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.055 -3.043 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.204 -3.244 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.803 -4.514 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.212 -4.722 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.696 -3.378 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.428 -3.736 -5.588 1.00 0.00 H new ATOM 1003 N ALA A 67 5.942 -5.978 -1.503 1.00 0.00 N ATOM 1004 CA ALA A 67 7.112 -6.845 -1.520 1.00 0.00 C ATOM 1005 C ALA A 67 6.843 -8.066 -0.650 1.00 0.00 C ATOM 1006 O ALA A 67 7.282 -9.177 -0.955 1.00 0.00 O ATOM 1007 CB ALA A 67 8.344 -6.095 -1.033 1.00 0.00 C ATOM 0 H ALA A 67 6.109 -5.038 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 67 7.305 -7.169 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.207 -6.761 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.530 -5.240 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.179 -5.747 -0.013 1.00 0.00 H new ATOM 1013 N VAL A 68 6.090 -7.849 0.426 1.00 0.00 N ATOM 1014 CA VAL A 68 5.730 -8.923 1.336 1.00 0.00 C ATOM 1015 C VAL A 68 4.730 -9.858 0.675 1.00 0.00 C ATOM 1016 O VAL A 68 4.877 -11.079 0.746 1.00 0.00 O ATOM 1017 CB VAL A 68 5.139 -8.382 2.652 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.811 -9.522 3.604 1.00 0.00 C ATOM 1019 CG2 VAL A 68 6.095 -7.393 3.300 1.00 0.00 C ATOM 0 H VAL A 68 5.719 -6.935 0.686 1.00 0.00 H new ATOM 0 HA VAL A 68 6.643 -9.470 1.574 1.00 0.00 H new ATOM 0 HB VAL A 68 4.211 -7.858 2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.395 -9.117 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.083 -10.187 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.720 -10.080 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.660 -7.022 4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.041 -7.889 3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.270 -6.558 2.622 1.00 0.00 H new ATOM 1029 N GLY A 69 3.727 -9.292 0.002 1.00 0.00 N ATOM 1030 CA GLY A 69 2.764 -10.130 -0.678 1.00 0.00 C ATOM 1031 C GLY A 69 3.432 -10.897 -1.793 1.00 0.00 C ATOM 1032 O GLY A 69 3.073 -12.033 -2.094 1.00 0.00 O ATOM 0 H GLY A 69 3.570 -8.288 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.312 -10.824 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.958 -9.516 -1.081 1.00 0.00 H new ATOM 1036 N LEU A 70 4.429 -10.260 -2.387 1.00 0.00 N ATOM 1037 CA LEU A 70 5.202 -10.843 -3.460 1.00 0.00 C ATOM 1038 C LEU A 70 5.965 -12.054 -2.950 1.00 0.00 C ATOM 1039 O LEU A 70 6.052 -13.076 -3.625 1.00 0.00 O ATOM 1040 CB LEU A 70 6.171 -9.797 -4.009 1.00 0.00 C ATOM 1041 CG LEU A 70 6.233 -9.729 -5.526 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.196 -8.642 -5.977 1.00 0.00 C ATOM 1043 CD2 LEU A 70 6.628 -11.078 -6.108 1.00 0.00 C ATOM 0 H LEU A 70 4.723 -9.317 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 70 4.534 -11.166 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.884 -8.818 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.169 -10.009 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 70 5.240 -9.477 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.225 -8.611 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.861 -7.678 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.193 -8.857 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.667 -11.008 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.608 -11.365 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.892 -11.829 -5.819 1.00 0.00 H new ATOM 1055 N GLY A 71 6.504 -11.931 -1.742 1.00 0.00 N ATOM 1056 CA GLY A 71 7.243 -13.028 -1.145 1.00 0.00 C ATOM 1057 C GLY A 71 6.336 -14.195 -0.830 1.00 0.00 C ATOM 1058 O GLY A 71 6.544 -15.308 -1.318 1.00 0.00 O ATOM 0 H GLY A 71 6.442 -11.092 -1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.031 -13.351 -1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.730 -12.687 -0.232 1.00 0.00 H new ATOM 1062 N LEU A 72 5.309 -13.932 -0.028 1.00 0.00 N ATOM 1063 CA LEU A 72 4.344 -14.959 0.336 1.00 0.00 C ATOM 1064 C LEU A 72 3.750 -15.583 -0.922 1.00 0.00 C ATOM 1065 O LEU A 72 3.476 -16.788 -0.979 1.00 0.00 O ATOM 1066 CB LEU A 72 3.236 -14.355 1.205 1.00 0.00 C ATOM 1067 CG LEU A 72 3.699 -13.818 2.561 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.525 -13.240 3.335 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.381 -14.916 3.363 1.00 0.00 C ATOM 0 H LEU A 72 5.125 -13.016 0.381 1.00 0.00 H new ATOM 0 HA LEU A 72 4.850 -15.737 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.763 -13.544 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.472 -15.114 1.373 1.00 0.00 H new ATOM 0 HG LEU A 72 4.421 -13.020 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.873 -12.863 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.080 -12.424 2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.779 -14.018 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.704 -14.517 4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.681 -15.735 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.247 -15.284 2.813 1.00 0.00 H new ATOM 1081 N TYR A 73 3.570 -14.754 -1.943 1.00 0.00 N ATOM 1082 CA TYR A 73 3.025 -15.224 -3.205 1.00 0.00 C ATOM 1083 C TYR A 73 4.042 -16.122 -3.899 1.00 0.00 C ATOM 1084 O TYR A 73 3.689 -17.165 -4.458 1.00 0.00 O ATOM 1085 CB TYR A 73 2.632 -14.045 -4.091 1.00 0.00 C ATOM 1086 CG TYR A 73 1.809 -14.440 -5.292 1.00 0.00 C ATOM 1087 CD1 TYR A 73 2.395 -15.050 -6.393 1.00 0.00 C ATOM 1088 CD2 TYR A 73 0.438 -14.210 -5.318 1.00 0.00 C ATOM 1089 CE1 TYR A 73 1.639 -15.417 -7.491 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -0.322 -14.573 -6.412 1.00 0.00 C ATOM 1091 CZ TYR A 73 0.283 -15.174 -7.497 1.00 0.00 C ATOM 1092 OH TYR A 73 -0.474 -15.538 -8.588 1.00 0.00 O ATOM 0 H TYR A 73 3.793 -13.759 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 73 2.124 -15.806 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.069 -13.326 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.536 -13.539 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.458 -15.241 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.039 -13.741 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.109 -15.892 -8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.386 -14.387 -6.419 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.375 -15.786 -8.293 1.00 0.00 H new ATOM 1102 N VAL A 74 5.317 -15.738 -3.824 1.00 0.00 N ATOM 1103 CA VAL A 74 6.379 -16.543 -4.409 1.00 0.00 C ATOM 1104 C VAL A 74 6.336 -17.934 -3.797 1.00 0.00 C ATOM 1105 O VAL A 74 6.583 -18.933 -4.472 1.00 0.00 O ATOM 1106 CB VAL A 74 7.774 -15.921 -4.183 1.00 0.00 C ATOM 1107 CG1 VAL A 74 8.869 -16.843 -4.705 1.00 0.00 C ATOM 1108 CG2 VAL A 74 7.868 -14.554 -4.846 1.00 0.00 C ATOM 0 H VAL A 74 5.633 -14.882 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 74 6.214 -16.589 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 74 7.917 -15.793 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.843 -16.384 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.821 -17.798 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.727 -17.008 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.859 -14.134 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.698 -14.657 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.114 -13.891 -4.421 1.00 0.00 H new ATOM 1118 N MET A 75 5.984 -17.985 -2.513 1.00 0.00 N ATOM 1119 CA MET A 75 5.864 -19.251 -1.810 1.00 0.00 C ATOM 1120 C MET A 75 4.748 -20.062 -2.446 1.00 0.00 C ATOM 1121 O MET A 75 4.922 -21.240 -2.757 1.00 0.00 O ATOM 1122 CB MET A 75 5.578 -19.020 -0.325 1.00 0.00 C ATOM 1123 CG MET A 75 5.527 -20.298 0.495 1.00 0.00 C ATOM 1124 SD MET A 75 7.106 -21.170 0.519 1.00 0.00 S ATOM 1125 CE MET A 75 6.701 -22.573 1.558 1.00 0.00 C ATOM 0 H MET A 75 5.778 -17.164 -1.944 1.00 0.00 H new ATOM 0 HA MET A 75 6.804 -19.798 -1.886 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.347 -18.366 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.627 -18.497 -0.225 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.233 -20.058 1.517 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.759 -20.956 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.515 -23.297 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.556 -22.236 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.785 -23.041 1.197 1.00 0.00 H new ATOM 1135 N PHE A 76 3.607 -19.412 -2.677 1.00 0.00 N ATOM 1136 CA PHE A 76 2.484 -20.079 -3.325 1.00 0.00 C ATOM 1137 C PHE A 76 2.945 -20.713 -4.633 1.00 0.00 C ATOM 1138 O PHE A 76 2.483 -21.790 -5.014 1.00 0.00 O ATOM 1139 CB PHE A 76 1.334 -19.092 -3.579 1.00 0.00 C ATOM 1140 CG PHE A 76 0.388 -19.520 -4.674 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.759 -19.403 -6.006 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.858 -20.050 -4.375 1.00 0.00 C ATOM 1143 CE1 PHE A 76 -0.093 -19.802 -7.017 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.715 -20.450 -5.386 1.00 0.00 C ATOM 1145 CZ PHE A 76 -1.331 -20.326 -6.706 1.00 0.00 C ATOM 0 H PHE A 76 3.439 -18.437 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 76 2.113 -20.862 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.770 -18.962 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.754 -18.119 -3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.727 -18.994 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.163 -20.152 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.209 -19.704 -8.049 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.684 -20.859 -5.142 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.999 -20.639 -7.495 1.00 0.00 H new ATOM 1155 N ALA A 77 3.868 -20.038 -5.309 1.00 0.00 N ATOM 1156 CA ALA A 77 4.403 -20.535 -6.569 1.00 0.00 C ATOM 1157 C ALA A 77 5.338 -21.716 -6.330 1.00 0.00 C ATOM 1158 O ALA A 77 5.518 -22.566 -7.202 1.00 0.00 O ATOM 1159 CB ALA A 77 5.130 -19.425 -7.312 1.00 0.00 C ATOM 0 H ALA A 77 4.260 -19.147 -5.005 1.00 0.00 H new ATOM 0 HA ALA A 77 3.570 -20.877 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.524 -19.813 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.436 -18.610 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.952 -19.055 -6.699 1.00 0.00 H new ATOM 1165 N VAL A 78 5.927 -21.763 -5.137 1.00 0.00 N ATOM 1166 CA VAL A 78 6.841 -22.838 -4.771 1.00 0.00 C ATOM 1167 C VAL A 78 6.965 -22.957 -3.256 1.00 0.00 C ATOM 1168 O VAL A 78 7.670 -22.179 -2.614 1.00 0.00 O ATOM 1169 CB VAL A 78 8.244 -22.626 -5.373 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.190 -22.671 -6.893 1.00 0.00 C ATOM 1171 CG2 VAL A 78 8.842 -21.312 -4.895 1.00 0.00 C ATOM 0 H VAL A 78 5.786 -21.066 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 78 6.420 -23.758 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 78 8.887 -23.437 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.191 -22.519 -7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.812 -23.641 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.529 -21.885 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.832 -21.183 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.199 -20.487 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.924 -21.323 -3.808 1.00 0.00 H new ATOM 1181 N ALA A 79 6.273 -23.938 -2.692 1.00 0.00 N ATOM 1182 CA ALA A 79 6.299 -24.166 -1.252 1.00 0.00 C ATOM 1183 C ALA A 79 7.685 -24.604 -0.791 1.00 0.00 C ATOM 1184 O ALA A 79 8.500 -23.722 -0.447 1.00 0.00 O ATOM 1185 CB ALA A 79 5.259 -25.206 -0.865 1.00 0.00 C ATOM 1186 OXT ALA A 79 7.946 -25.825 -0.778 1.00 0.00 O ATOM 0 H ALA A 79 5.685 -24.591 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 79 6.060 -23.226 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.289 -25.367 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.268 -24.854 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.474 -26.144 -1.378 1.00 0.00 H new TER 1192 ALA A 79