USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 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= 0.00645 USER MOD Set 1.2: A 73 TYR OH : rot 156:sc= 0.501 USER MOD Single : A 1 MET CE :methyl 150:sc= -3.93! (180deg=-6.14!) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.328 (180deg=-0.843) USER MOD Single : A 3 ASN : amide:sc= -2.67 K(o=-2.7,f=-3.4!) USER MOD Single : A 5 ASN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : A 6 MET CE :methyl 139:sc= -0.982 (180deg=-1.61) USER MOD Single : A 11 MET CE :methyl 159:sc= -1.64 (180deg=-3.17!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 176:sc= -1.74 (180deg=-1.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.072) USER MOD Single : A 51 THR OG1 : rot 69:sc= 1.1 USER MOD Single : A 52 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.7) USER MOD Single : A 57 MET CE :methyl 171:sc= -0.408 (180deg=-0.706) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.599 -29.826 2.497 1.00 0.00 N ATOM 2 CA MET A 1 -5.359 -29.058 2.207 1.00 0.00 C ATOM 3 C MET A 1 -4.810 -29.417 0.828 1.00 0.00 C ATOM 4 O MET A 1 -5.519 -29.985 -0.003 1.00 0.00 O ATOM 5 CB MET A 1 -4.322 -29.378 3.289 1.00 0.00 C ATOM 6 CG MET A 1 -4.796 -29.110 4.712 1.00 0.00 C ATOM 7 SD MET A 1 -4.838 -27.353 5.135 1.00 0.00 S ATOM 8 CE MET A 1 -6.209 -26.769 4.142 1.00 0.00 C ATOM 0 H1 MET A 1 -7.332 -29.180 2.852 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.934 -30.285 1.626 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.398 -30.551 3.216 1.00 0.00 H new ATOM 0 HA MET A 1 -5.584 -27.991 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.038 -30.427 3.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.424 -28.789 3.101 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.793 -29.531 4.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.139 -29.629 5.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.689 -25.928 4.643 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.842 -26.449 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.932 -27.574 4.011 1.00 0.00 H new ATOM 20 N GLU A 2 -3.546 -29.079 0.590 1.00 0.00 N ATOM 21 CA GLU A 2 -2.903 -29.362 -0.690 1.00 0.00 C ATOM 22 C GLU A 2 -3.576 -28.600 -1.831 1.00 0.00 C ATOM 23 O GLU A 2 -3.343 -28.893 -3.003 1.00 0.00 O ATOM 24 CB GLU A 2 -2.932 -30.865 -0.980 1.00 0.00 C ATOM 25 CG GLU A 2 -2.221 -31.701 0.072 1.00 0.00 C ATOM 26 CD GLU A 2 -2.261 -33.184 -0.237 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.749 -33.583 -1.305 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.804 -33.948 0.588 1.00 0.00 O ATOM 0 H GLU A 2 -2.946 -28.608 1.267 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.867 -29.029 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.969 -31.193 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.471 -31.048 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.183 -31.377 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.682 -31.524 1.044 1.00 0.00 H new ATOM 35 N ASN A 3 -4.406 -27.617 -1.484 1.00 0.00 N ATOM 36 CA ASN A 3 -5.104 -26.815 -2.482 1.00 0.00 C ATOM 37 C ASN A 3 -5.539 -25.479 -1.893 1.00 0.00 C ATOM 38 O ASN A 3 -5.354 -24.429 -2.508 1.00 0.00 O ATOM 39 CB ASN A 3 -6.323 -27.567 -3.021 1.00 0.00 C ATOM 40 CG ASN A 3 -5.952 -28.872 -3.697 1.00 0.00 C ATOM 41 OD1 ASN A 3 -5.201 -28.888 -4.672 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.478 -29.977 -3.179 1.00 0.00 N ATOM 0 H ASN A 3 -4.610 -27.359 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.414 -26.627 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.012 -27.770 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -6.852 -26.932 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.264 -30.885 -3.591 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.096 -29.917 -2.370 1.00 0.00 H new ATOM 49 N LEU A 4 -6.109 -25.524 -0.692 1.00 0.00 N ATOM 50 CA LEU A 4 -6.557 -24.311 -0.019 1.00 0.00 C ATOM 51 C LEU A 4 -5.367 -23.471 0.422 1.00 0.00 C ATOM 52 O LEU A 4 -5.518 -22.309 0.798 1.00 0.00 O ATOM 53 CB LEU A 4 -7.433 -24.659 1.185 1.00 0.00 C ATOM 54 CG LEU A 4 -8.701 -25.451 0.859 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.487 -25.744 2.127 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.559 -24.692 -0.141 1.00 0.00 C ATOM 0 H LEU A 4 -6.271 -26.384 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.149 -23.729 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.837 -25.233 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.720 -23.734 1.685 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.410 -26.401 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.385 -26.308 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.871 -26.328 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.769 -24.806 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.457 -25.269 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.842 -23.728 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.994 -24.534 -1.060 1.00 0.00 H new ATOM 68 N ASN A 5 -4.179 -24.062 0.359 1.00 0.00 N ATOM 69 CA ASN A 5 -2.966 -23.373 0.734 1.00 0.00 C ATOM 70 C ASN A 5 -2.726 -22.217 -0.223 1.00 0.00 C ATOM 71 O ASN A 5 -2.701 -21.054 0.179 1.00 0.00 O ATOM 72 CB ASN A 5 -1.782 -24.333 0.706 1.00 0.00 C ATOM 73 CG ASN A 5 -0.503 -23.679 1.181 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.371 -23.315 2.350 1.00 0.00 O ATOM 75 ND2 ASN A 5 0.443 -23.514 0.268 1.00 0.00 N ATOM 0 H ASN A 5 -4.038 -25.023 0.049 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.072 -22.987 1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.002 -25.196 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.642 -24.705 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.325 -23.069 0.522 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.289 -23.832 -0.689 1.00 0.00 H new ATOM 82 N MET A 6 -2.579 -22.551 -1.502 1.00 0.00 N ATOM 83 CA MET A 6 -2.377 -21.548 -2.531 1.00 0.00 C ATOM 84 C MET A 6 -3.514 -20.535 -2.501 1.00 0.00 C ATOM 85 O MET A 6 -3.346 -19.384 -2.899 1.00 0.00 O ATOM 86 CB MET A 6 -2.305 -22.196 -3.916 1.00 0.00 C ATOM 87 CG MET A 6 -0.952 -22.802 -4.252 1.00 0.00 C ATOM 88 SD MET A 6 -0.481 -24.137 -3.136 1.00 0.00 S ATOM 89 CE MET A 6 -1.827 -25.289 -3.402 1.00 0.00 C ATOM 0 H MET A 6 -2.597 -23.511 -1.846 1.00 0.00 H new ATOM 0 HA MET A 6 -1.432 -21.042 -2.333 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.065 -22.975 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 6 -2.552 -21.447 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.973 -23.181 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.192 -22.022 -4.217 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.434 -26.305 -3.442 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.542 -25.209 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.325 -25.055 -4.343 1.00 0.00 H new ATOM 99 N ASP A 7 -4.673 -20.976 -2.021 1.00 0.00 N ATOM 100 CA ASP A 7 -5.838 -20.107 -1.937 1.00 0.00 C ATOM 101 C ASP A 7 -5.633 -19.035 -0.873 1.00 0.00 C ATOM 102 O ASP A 7 -5.801 -17.843 -1.133 1.00 0.00 O ATOM 103 CB ASP A 7 -7.089 -20.929 -1.619 1.00 0.00 C ATOM 104 CG ASP A 7 -8.344 -20.080 -1.567 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.685 -19.462 -2.597 1.00 0.00 O ATOM 106 OD2 ASP A 7 -8.985 -20.035 -0.496 1.00 0.00 O ATOM 0 H ASP A 7 -4.828 -21.927 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.971 -19.617 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.211 -21.706 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.955 -21.433 -0.662 1.00 0.00 H new ATOM 111 N LEU A 8 -5.266 -19.470 0.327 1.00 0.00 N ATOM 112 CA LEU A 8 -5.034 -18.556 1.437 1.00 0.00 C ATOM 113 C LEU A 8 -3.812 -17.683 1.171 1.00 0.00 C ATOM 114 O LEU A 8 -3.885 -16.460 1.254 1.00 0.00 O ATOM 115 CB LEU A 8 -4.845 -19.348 2.736 1.00 0.00 C ATOM 116 CG LEU A 8 -4.849 -18.517 4.025 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.811 -19.429 5.242 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.674 -17.553 4.052 1.00 0.00 C ATOM 0 H LEU A 8 -5.123 -20.454 0.556 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.903 -17.906 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.636 -20.095 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.901 -19.889 2.677 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.770 -17.934 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.814 -18.825 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.685 -20.080 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.906 -20.036 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.699 -16.975 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.741 -18.115 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.738 -16.877 3.199 1.00 0.00 H new ATOM 130 N LEU A 9 -2.691 -18.322 0.858 1.00 0.00 N ATOM 131 CA LEU A 9 -1.442 -17.614 0.587 1.00 0.00 C ATOM 132 C LEU A 9 -1.619 -16.574 -0.522 1.00 0.00 C ATOM 133 O LEU A 9 -1.384 -15.376 -0.318 1.00 0.00 O ATOM 134 CB LEU A 9 -0.358 -18.622 0.198 1.00 0.00 C ATOM 135 CG LEU A 9 1.056 -18.054 0.089 1.00 0.00 C ATOM 136 CD1 LEU A 9 1.485 -17.441 1.412 1.00 0.00 C ATOM 137 CD2 LEU A 9 2.030 -19.142 -0.336 1.00 0.00 C ATOM 0 H LEU A 9 -2.620 -19.337 0.785 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.143 -17.085 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.353 -19.426 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.627 -19.068 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 9 1.059 -17.271 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.495 -17.041 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.800 -16.637 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.469 -18.205 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.034 -18.723 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.025 -19.944 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.731 -19.540 -1.306 1.00 0.00 H new ATOM 149 N TYR A 10 -2.041 -17.035 -1.695 1.00 0.00 N ATOM 150 CA TYR A 10 -2.258 -16.150 -2.837 1.00 0.00 C ATOM 151 C TYR A 10 -3.160 -14.990 -2.434 1.00 0.00 C ATOM 152 O TYR A 10 -2.776 -13.821 -2.538 1.00 0.00 O ATOM 153 CB TYR A 10 -2.875 -16.943 -3.991 1.00 0.00 C ATOM 154 CG TYR A 10 -2.857 -16.242 -5.333 1.00 0.00 C ATOM 155 CD1 TYR A 10 -3.184 -14.896 -5.466 1.00 0.00 C ATOM 156 CD2 TYR A 10 -2.523 -16.948 -6.478 1.00 0.00 C ATOM 157 CE1 TYR A 10 -3.172 -14.279 -6.703 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.508 -16.341 -7.716 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.833 -15.007 -7.826 1.00 0.00 C ATOM 160 OH TYR A 10 -2.820 -14.397 -9.059 1.00 0.00 O ATOM 0 H TYR A 10 -2.240 -18.018 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.303 -15.741 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.344 -17.890 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.908 -17.181 -3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.451 -14.325 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.269 -17.995 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.426 -13.233 -6.790 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.243 -16.909 -8.595 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.559 -15.048 -9.743 1.00 0.00 H new ATOM 170 N MET A 11 -4.354 -15.316 -1.948 1.00 0.00 N ATOM 171 CA MET A 11 -5.292 -14.294 -1.508 1.00 0.00 C ATOM 172 C MET A 11 -4.672 -13.437 -0.407 1.00 0.00 C ATOM 173 O MET A 11 -5.130 -12.327 -0.143 1.00 0.00 O ATOM 174 CB MET A 11 -6.590 -14.931 -1.012 1.00 0.00 C ATOM 175 CG MET A 11 -7.388 -15.618 -2.109 1.00 0.00 C ATOM 176 SD MET A 11 -8.936 -16.319 -1.507 1.00 0.00 S ATOM 177 CE MET A 11 -9.637 -16.947 -3.030 1.00 0.00 C ATOM 0 H MET A 11 -4.691 -16.274 -1.850 1.00 0.00 H new ATOM 0 HA MET A 11 -5.523 -13.655 -2.360 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.354 -15.659 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.209 -14.162 -0.551 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.602 -14.900 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 11 -6.783 -16.409 -2.552 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.378 -17.713 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.114 -16.132 -3.574 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.846 -17.379 -3.643 1.00 0.00 H new ATOM 187 N ALA A 12 -3.623 -13.957 0.229 1.00 0.00 N ATOM 188 CA ALA A 12 -2.943 -13.237 1.285 1.00 0.00 C ATOM 189 C ALA A 12 -2.208 -12.040 0.713 1.00 0.00 C ATOM 190 O ALA A 12 -2.368 -10.921 1.185 1.00 0.00 O ATOM 191 CB ALA A 12 -1.975 -14.149 2.028 1.00 0.00 C ATOM 0 H ALA A 12 -3.231 -14.876 0.025 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.690 -12.885 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.476 -13.585 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.524 -14.981 2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.231 -14.534 1.331 1.00 0.00 H new ATOM 197 N ALA A 13 -1.403 -12.287 -0.313 1.00 0.00 N ATOM 198 CA ALA A 13 -0.645 -11.231 -0.960 1.00 0.00 C ATOM 199 C ALA A 13 -1.520 -10.415 -1.908 1.00 0.00 C ATOM 200 O ALA A 13 -1.141 -9.322 -2.326 1.00 0.00 O ATOM 201 CB ALA A 13 0.544 -11.814 -1.705 1.00 0.00 C ATOM 0 H ALA A 13 -1.260 -13.214 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.280 -10.559 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.102 -11.010 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.193 -12.337 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.191 -12.513 -2.463 1.00 0.00 H new ATOM 207 N ALA A 14 -2.704 -10.926 -2.232 1.00 0.00 N ATOM 208 CA ALA A 14 -3.610 -10.202 -3.113 1.00 0.00 C ATOM 209 C ALA A 14 -4.458 -9.261 -2.282 1.00 0.00 C ATOM 210 O ALA A 14 -4.745 -8.130 -2.677 1.00 0.00 O ATOM 211 CB ALA A 14 -4.481 -11.165 -3.904 1.00 0.00 C ATOM 0 H ALA A 14 -3.054 -11.826 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.030 -9.623 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.149 -10.601 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.848 -11.815 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.071 -11.771 -3.216 1.00 0.00 H new ATOM 217 N VAL A 15 -4.821 -9.746 -1.109 1.00 0.00 N ATOM 218 CA VAL A 15 -5.602 -8.988 -0.160 1.00 0.00 C ATOM 219 C VAL A 15 -4.699 -8.015 0.589 1.00 0.00 C ATOM 220 O VAL A 15 -5.096 -6.898 0.915 1.00 0.00 O ATOM 221 CB VAL A 15 -6.282 -9.945 0.834 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.880 -9.188 2.014 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.351 -10.767 0.130 1.00 0.00 C ATOM 0 H VAL A 15 -4.579 -10.684 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.368 -8.424 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.520 -10.620 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.353 -9.894 2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.091 -8.649 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.625 -8.479 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.823 -11.439 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.103 -10.101 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.894 -11.351 -0.669 1.00 0.00 H new ATOM 233 N MET A 16 -3.471 -8.458 0.844 1.00 0.00 N ATOM 234 CA MET A 16 -2.484 -7.646 1.544 1.00 0.00 C ATOM 235 C MET A 16 -1.947 -6.546 0.650 1.00 0.00 C ATOM 236 O MET A 16 -1.945 -5.379 1.033 1.00 0.00 O ATOM 237 CB MET A 16 -1.321 -8.513 2.040 1.00 0.00 C ATOM 238 CG MET A 16 -1.645 -9.308 3.296 1.00 0.00 C ATOM 239 SD MET A 16 -0.287 -10.374 3.814 1.00 0.00 S ATOM 240 CE MET A 16 -0.994 -11.138 5.271 1.00 0.00 C ATOM 0 H MET A 16 -3.135 -9.382 0.573 1.00 0.00 H new ATOM 0 HA MET A 16 -2.983 -7.191 2.400 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.030 -9.203 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.461 -7.873 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.889 -8.619 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.531 -9.917 3.117 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.271 -11.828 5.707 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.246 -10.368 6.000 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.896 -11.684 4.994 1.00 0.00 H new ATOM 250 N MET A 17 -1.483 -6.912 -0.537 1.00 0.00 N ATOM 251 CA MET A 17 -0.943 -5.919 -1.449 1.00 0.00 C ATOM 252 C MET A 17 -2.058 -5.123 -2.085 1.00 0.00 C ATOM 253 O MET A 17 -1.949 -3.910 -2.249 1.00 0.00 O ATOM 254 CB MET A 17 -0.078 -6.574 -2.525 1.00 0.00 C ATOM 255 CG MET A 17 0.933 -7.568 -1.981 1.00 0.00 C ATOM 256 SD MET A 17 2.058 -8.176 -3.253 1.00 0.00 S ATOM 257 CE MET A 17 0.903 -8.930 -4.395 1.00 0.00 C ATOM 0 H MET A 17 -1.470 -7.871 -0.885 1.00 0.00 H new ATOM 0 HA MET A 17 -0.313 -5.241 -0.873 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.726 -7.083 -3.238 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.452 -5.796 -3.075 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.510 -7.096 -1.186 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.405 -8.411 -1.535 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.441 -9.290 -5.272 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.403 -9.767 -3.907 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.161 -8.193 -4.702 1.00 0.00 H new ATOM 267 N GLY A 18 -3.143 -5.796 -2.423 1.00 0.00 N ATOM 268 CA GLY A 18 -4.258 -5.095 -3.003 1.00 0.00 C ATOM 269 C GLY A 18 -4.785 -4.056 -2.041 1.00 0.00 C ATOM 270 O GLY A 18 -4.854 -2.870 -2.366 1.00 0.00 O ATOM 0 H GLY A 18 -3.269 -6.802 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.951 -4.616 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.049 -5.802 -3.254 1.00 0.00 H new ATOM 274 N LEU A 19 -5.134 -4.507 -0.841 1.00 0.00 N ATOM 275 CA LEU A 19 -5.654 -3.622 0.189 1.00 0.00 C ATOM 276 C LEU A 19 -4.598 -2.634 0.676 1.00 0.00 C ATOM 277 O LEU A 19 -4.941 -1.537 1.118 1.00 0.00 O ATOM 278 CB LEU A 19 -6.188 -4.450 1.365 1.00 0.00 C ATOM 279 CG LEU A 19 -6.957 -3.667 2.436 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.702 -4.624 3.355 1.00 0.00 C ATOM 281 CD2 LEU A 19 -6.017 -2.787 3.248 1.00 0.00 C ATOM 0 H LEU A 19 -5.065 -5.485 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.467 -3.042 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.842 -5.228 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.347 -4.953 1.843 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.679 -3.023 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.244 -4.055 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.407 -5.215 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.989 -5.289 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.587 -2.243 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.270 -3.410 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.520 -2.078 2.586 1.00 0.00 H new ATOM 293 N ALA A 20 -3.316 -3.001 0.612 1.00 0.00 N ATOM 294 CA ALA A 20 -2.278 -2.097 1.081 1.00 0.00 C ATOM 295 C ALA A 20 -1.892 -1.093 0.016 1.00 0.00 C ATOM 296 O ALA A 20 -2.209 0.091 0.126 1.00 0.00 O ATOM 297 CB ALA A 20 -1.064 -2.875 1.545 1.00 0.00 C ATOM 0 H ALA A 20 -2.983 -3.894 0.249 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.681 -1.542 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.298 -2.181 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.348 -3.540 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.671 -3.464 0.716 1.00 0.00 H new ATOM 303 N ALA A 21 -1.209 -1.564 -1.017 1.00 0.00 N ATOM 304 CA ALA A 21 -0.791 -0.692 -2.099 1.00 0.00 C ATOM 305 C ALA A 21 -1.952 0.191 -2.545 1.00 0.00 C ATOM 306 O ALA A 21 -1.769 1.378 -2.817 1.00 0.00 O ATOM 307 CB ALA A 21 -0.261 -1.509 -3.268 1.00 0.00 C ATOM 0 H ALA A 21 -0.935 -2.540 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 21 0.013 -0.051 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.048 -0.839 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.594 -2.101 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.044 -2.174 -3.632 1.00 0.00 H new ATOM 313 N ILE A 22 -3.157 -0.387 -2.595 1.00 0.00 N ATOM 314 CA ILE A 22 -4.332 0.378 -2.982 1.00 0.00 C ATOM 315 C ILE A 22 -4.843 1.179 -1.794 1.00 0.00 C ATOM 316 O ILE A 22 -5.329 2.295 -1.958 1.00 0.00 O ATOM 317 CB ILE A 22 -5.467 -0.513 -3.515 1.00 0.00 C ATOM 318 CG1 ILE A 22 -4.957 -1.404 -4.651 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.631 0.343 -3.995 1.00 0.00 C ATOM 320 CD1 ILE A 22 -4.436 -0.628 -5.841 1.00 0.00 C ATOM 0 H ILE A 22 -3.336 -1.367 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.026 1.044 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.817 -1.152 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.162 -2.046 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.765 -2.058 -4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.426 -0.301 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.009 0.941 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.292 1.003 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.092 -1.323 -6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.234 -0.007 -6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.607 0.006 -5.527 1.00 0.00 H new ATOM 332 N GLY A 23 -4.709 0.621 -0.586 1.00 0.00 N ATOM 333 CA GLY A 23 -5.147 1.342 0.594 1.00 0.00 C ATOM 334 C GLY A 23 -4.476 2.694 0.665 1.00 0.00 C ATOM 335 O GLY A 23 -5.128 3.721 0.863 1.00 0.00 O ATOM 0 H GLY A 23 -4.311 -0.302 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.230 1.467 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.912 0.765 1.488 1.00 0.00 H new ATOM 339 N ALA A 24 -3.165 2.688 0.460 1.00 0.00 N ATOM 340 CA ALA A 24 -2.389 3.912 0.461 1.00 0.00 C ATOM 341 C ALA A 24 -2.740 4.744 -0.760 1.00 0.00 C ATOM 342 O ALA A 24 -3.013 5.936 -0.649 1.00 0.00 O ATOM 343 CB ALA A 24 -0.901 3.601 0.486 1.00 0.00 C ATOM 0 H ALA A 24 -2.619 1.843 0.291 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.630 4.482 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.335 4.532 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.663 3.031 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.637 3.016 -0.395 1.00 0.00 H new ATOM 349 N ALA A 25 -2.749 4.103 -1.930 1.00 0.00 N ATOM 350 CA ALA A 25 -3.088 4.797 -3.171 1.00 0.00 C ATOM 351 C ALA A 25 -4.363 5.622 -2.993 1.00 0.00 C ATOM 352 O ALA A 25 -4.342 6.853 -3.077 1.00 0.00 O ATOM 353 CB ALA A 25 -3.251 3.801 -4.310 1.00 0.00 C ATOM 0 H ALA A 25 -2.528 3.114 -2.043 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.272 5.475 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.503 4.334 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.318 3.256 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.049 3.099 -4.068 1.00 0.00 H new ATOM 359 N ILE A 26 -5.470 4.934 -2.722 1.00 0.00 N ATOM 360 CA ILE A 26 -6.749 5.597 -2.505 1.00 0.00 C ATOM 361 C ILE A 26 -6.610 6.675 -1.452 1.00 0.00 C ATOM 362 O ILE A 26 -7.133 7.767 -1.618 1.00 0.00 O ATOM 363 CB ILE A 26 -7.842 4.601 -2.074 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.987 3.486 -3.111 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.169 5.318 -1.874 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.037 2.456 -2.750 1.00 0.00 C ATOM 0 H ILE A 26 -5.505 3.917 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.047 6.044 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.546 4.154 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.240 3.928 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.026 2.986 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.929 4.598 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.059 6.078 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.471 5.792 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.085 1.696 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.775 1.986 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.008 2.943 -2.658 1.00 0.00 H new ATOM 378 N GLY A 27 -5.881 6.379 -0.379 1.00 0.00 N ATOM 379 CA GLY A 27 -5.685 7.377 0.651 1.00 0.00 C ATOM 380 C GLY A 27 -5.113 8.641 0.074 1.00 0.00 C ATOM 381 O GLY A 27 -5.740 9.685 0.126 1.00 0.00 O ATOM 0 H GLY A 27 -5.430 5.480 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.636 7.593 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.015 6.987 1.417 1.00 0.00 H new ATOM 385 N ILE A 28 -3.930 8.537 -0.514 1.00 0.00 N ATOM 386 CA ILE A 28 -3.297 9.686 -1.140 1.00 0.00 C ATOM 387 C ILE A 28 -4.320 10.431 -1.983 1.00 0.00 C ATOM 388 O ILE A 28 -4.285 11.653 -2.096 1.00 0.00 O ATOM 389 CB ILE A 28 -2.127 9.255 -2.042 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.132 8.407 -1.257 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.436 10.471 -2.637 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.064 7.783 -2.129 1.00 0.00 C ATOM 0 H ILE A 28 -3.392 7.672 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.910 10.331 -0.351 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.526 8.652 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.656 9.027 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.671 7.618 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.611 10.147 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.150 11.040 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.050 11.099 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.612 7.193 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.532 7.138 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.499 8.569 -2.633 1.00 0.00 H new ATOM 404 N GLY A 29 -5.249 9.670 -2.555 1.00 0.00 N ATOM 405 CA GLY A 29 -6.289 10.261 -3.366 1.00 0.00 C ATOM 406 C GLY A 29 -7.316 10.982 -2.520 1.00 0.00 C ATOM 407 O GLY A 29 -7.763 12.073 -2.874 1.00 0.00 O ATOM 0 H GLY A 29 -5.297 8.655 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.845 10.960 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.780 9.484 -3.951 1.00 0.00 H new ATOM 411 N ILE A 30 -7.688 10.377 -1.394 1.00 0.00 N ATOM 412 CA ILE A 30 -8.668 10.989 -0.502 1.00 0.00 C ATOM 413 C ILE A 30 -8.026 12.099 0.324 1.00 0.00 C ATOM 414 O ILE A 30 -8.373 13.276 0.196 1.00 0.00 O ATOM 415 CB ILE A 30 -9.295 9.945 0.447 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.945 8.819 -0.358 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.318 10.602 1.365 1.00 0.00 C ATOM 418 CD1 ILE A 30 -11.051 9.292 -1.276 1.00 0.00 C ATOM 0 H ILE A 30 -7.330 9.475 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.455 11.411 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.504 9.520 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.180 8.320 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.348 8.077 0.331 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.749 9.850 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.830 11.373 1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.108 11.053 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.466 8.440 -1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.836 9.765 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.649 10.012 -1.989 1.00 0.00 H new ATOM 430 N LEU A 31 -7.075 11.708 1.157 1.00 0.00 N ATOM 431 CA LEU A 31 -6.354 12.632 2.003 1.00 0.00 C ATOM 432 C LEU A 31 -5.579 13.646 1.169 1.00 0.00 C ATOM 433 O LEU A 31 -5.565 14.834 1.485 1.00 0.00 O ATOM 434 CB LEU A 31 -5.407 11.849 2.911 1.00 0.00 C ATOM 435 CG LEU A 31 -5.811 11.803 4.384 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.777 11.041 5.198 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.996 13.210 4.932 1.00 0.00 C ATOM 0 H LEU A 31 -6.784 10.736 1.262 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.068 13.184 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.333 10.827 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.412 12.288 2.837 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.763 11.278 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.082 11.019 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.697 10.021 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.810 11.536 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.284 13.157 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.061 13.762 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.776 13.721 4.368 1.00 0.00 H new ATOM 449 N GLY A 32 -4.943 13.179 0.097 1.00 0.00 N ATOM 450 CA GLY A 32 -4.191 14.076 -0.758 1.00 0.00 C ATOM 451 C GLY A 32 -5.096 14.889 -1.658 1.00 0.00 C ATOM 452 O GLY A 32 -4.855 16.075 -1.885 1.00 0.00 O ATOM 0 H GLY A 32 -4.936 12.201 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.593 14.748 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.496 13.499 -1.368 1.00 0.00 H new ATOM 456 N GLY A 33 -6.152 14.254 -2.163 1.00 0.00 N ATOM 457 CA GLY A 33 -7.085 14.949 -3.025 1.00 0.00 C ATOM 458 C GLY A 33 -7.730 16.128 -2.326 1.00 0.00 C ATOM 459 O GLY A 33 -8.025 17.145 -2.952 1.00 0.00 O ATOM 0 H GLY A 33 -6.375 13.274 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.565 15.297 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.858 14.256 -3.356 1.00 0.00 H new ATOM 463 N LYS A 34 -7.945 15.989 -1.020 1.00 0.00 N ATOM 464 CA LYS A 34 -8.555 17.052 -0.228 1.00 0.00 C ATOM 465 C LYS A 34 -7.491 17.947 0.402 1.00 0.00 C ATOM 466 O LYS A 34 -7.726 19.132 0.640 1.00 0.00 O ATOM 467 CB LYS A 34 -9.445 16.453 0.864 1.00 0.00 C ATOM 468 CG LYS A 34 -10.576 15.593 0.324 1.00 0.00 C ATOM 469 CD LYS A 34 -11.505 16.392 -0.576 1.00 0.00 C ATOM 470 CE LYS A 34 -12.638 15.533 -1.112 1.00 0.00 C ATOM 471 NZ LYS A 34 -13.555 16.309 -1.991 1.00 0.00 N ATOM 0 H LYS A 34 -7.706 15.152 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.165 17.662 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.830 15.851 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.868 17.261 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.161 14.753 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.144 15.174 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.917 17.233 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.938 16.808 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.224 14.693 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.202 15.114 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.314 15.687 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.970 17.095 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.023 16.687 -2.800 1.00 0.00 H new ATOM 485 N PHE A 35 -6.321 17.375 0.677 1.00 0.00 N ATOM 486 CA PHE A 35 -5.226 18.126 1.285 1.00 0.00 C ATOM 487 C PHE A 35 -4.548 19.036 0.265 1.00 0.00 C ATOM 488 O PHE A 35 -3.907 20.022 0.630 1.00 0.00 O ATOM 489 CB PHE A 35 -4.200 17.170 1.904 1.00 0.00 C ATOM 490 CG PHE A 35 -3.113 17.869 2.669 1.00 0.00 C ATOM 491 CD1 PHE A 35 -2.092 18.525 2.004 1.00 0.00 C ATOM 492 CD2 PHE A 35 -3.121 17.878 4.055 1.00 0.00 C ATOM 493 CE1 PHE A 35 -1.097 19.176 2.705 1.00 0.00 C ATOM 494 CE2 PHE A 35 -2.127 18.527 4.763 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.114 19.177 4.087 1.00 0.00 C ATOM 0 H PHE A 35 -6.107 16.396 0.489 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.647 18.752 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.716 16.479 2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.749 16.572 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.073 18.528 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.913 17.372 4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.306 19.684 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.143 18.526 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.336 19.685 4.637 1.00 0.00 H new ATOM 505 N LEU A 36 -4.693 18.705 -1.015 1.00 0.00 N ATOM 506 CA LEU A 36 -4.093 19.499 -2.080 1.00 0.00 C ATOM 507 C LEU A 36 -4.942 20.727 -2.396 1.00 0.00 C ATOM 508 O LEU A 36 -4.418 21.770 -2.787 1.00 0.00 O ATOM 509 CB LEU A 36 -3.917 18.652 -3.340 1.00 0.00 C ATOM 510 CG LEU A 36 -3.295 19.384 -4.530 1.00 0.00 C ATOM 511 CD1 LEU A 36 -1.883 19.844 -4.200 1.00 0.00 C ATOM 512 CD2 LEU A 36 -3.294 18.490 -5.761 1.00 0.00 C ATOM 0 H LEU A 36 -5.220 17.894 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.115 19.836 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.294 17.791 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.892 18.266 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.898 20.266 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.459 20.362 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.911 20.521 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.266 18.979 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.848 19.025 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.715 17.590 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.318 18.214 -6.011 1.00 0.00 H new ATOM 524 N GLU A 37 -6.255 20.597 -2.225 1.00 0.00 N ATOM 525 CA GLU A 37 -7.175 21.699 -2.494 1.00 0.00 C ATOM 526 C GLU A 37 -6.744 22.963 -1.758 1.00 0.00 C ATOM 527 O GLU A 37 -6.474 23.991 -2.378 1.00 0.00 O ATOM 528 CB GLU A 37 -8.596 21.317 -2.080 1.00 0.00 C ATOM 529 CG GLU A 37 -9.137 20.094 -2.801 1.00 0.00 C ATOM 530 CD GLU A 37 -9.215 20.284 -4.304 1.00 0.00 C ATOM 531 OE1 GLU A 37 -8.156 20.496 -4.931 1.00 0.00 O ATOM 532 OE2 GLU A 37 -10.335 20.219 -4.852 1.00 0.00 O ATOM 0 H GLU A 37 -6.706 19.741 -1.902 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.156 21.899 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.614 21.132 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.259 22.161 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.501 19.237 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.130 19.861 -2.417 1.00 0.00 H new ATOM 539 N GLY A 38 -6.679 22.876 -0.435 1.00 0.00 N ATOM 540 CA GLY A 38 -6.277 24.020 0.363 1.00 0.00 C ATOM 541 C GLY A 38 -4.891 24.518 0.003 1.00 0.00 C ATOM 542 O GLY A 38 -4.614 25.715 0.089 1.00 0.00 O ATOM 0 H GLY A 38 -6.897 22.035 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.997 24.827 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.300 23.749 1.419 1.00 0.00 H new ATOM 546 N ALA A 39 -4.018 23.600 -0.396 1.00 0.00 N ATOM 547 CA ALA A 39 -2.656 23.948 -0.765 1.00 0.00 C ATOM 548 C ALA A 39 -2.632 24.956 -1.910 1.00 0.00 C ATOM 549 O ALA A 39 -1.715 25.768 -2.015 1.00 0.00 O ATOM 550 CB ALA A 39 -1.876 22.699 -1.144 1.00 0.00 C ATOM 0 H ALA A 39 -4.233 22.606 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.182 24.412 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.858 22.975 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.851 22.015 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.360 22.211 -1.990 1.00 0.00 H new ATOM 556 N ALA A 40 -3.643 24.891 -2.770 1.00 0.00 N ATOM 557 CA ALA A 40 -3.737 25.789 -3.909 1.00 0.00 C ATOM 558 C ALA A 40 -3.826 27.244 -3.464 1.00 0.00 C ATOM 559 O ALA A 40 -3.196 28.123 -4.053 1.00 0.00 O ATOM 560 CB ALA A 40 -4.936 25.424 -4.770 1.00 0.00 C ATOM 0 H ALA A 40 -4.410 24.222 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.828 25.677 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.995 26.104 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.827 24.401 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.847 25.504 -4.177 1.00 0.00 H new ATOM 566 N ARG A 41 -4.616 27.492 -2.426 1.00 0.00 N ATOM 567 CA ARG A 41 -4.790 28.842 -1.903 1.00 0.00 C ATOM 568 C ARG A 41 -3.496 29.371 -1.302 1.00 0.00 C ATOM 569 O ARG A 41 -3.107 30.514 -1.547 1.00 0.00 O ATOM 570 CB ARG A 41 -5.894 28.870 -0.846 1.00 0.00 C ATOM 571 CG ARG A 41 -7.296 28.728 -1.414 1.00 0.00 C ATOM 572 CD ARG A 41 -7.479 27.411 -2.151 1.00 0.00 C ATOM 573 NE ARG A 41 -8.848 27.240 -2.632 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.268 26.175 -3.312 1.00 0.00 C ATOM 575 NH1 ARG A 41 -8.429 25.185 -3.593 1.00 0.00 N ATOM 576 NH2 ARG A 41 -10.531 26.099 -3.711 1.00 0.00 N ATOM 0 H ARG A 41 -5.146 26.776 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.074 29.484 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.719 28.066 -0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.830 29.807 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.024 28.796 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.498 29.556 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.790 27.369 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.222 26.585 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.522 27.980 -2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.457 25.238 -3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.756 24.372 -4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.180 26.856 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.853 25.283 -4.232 1.00 0.00 H new ATOM 590 N GLN A 42 -2.836 28.537 -0.509 1.00 0.00 N ATOM 591 CA GLN A 42 -1.589 28.927 0.133 1.00 0.00 C ATOM 592 C GLN A 42 -0.396 28.646 -0.778 1.00 0.00 C ATOM 593 O GLN A 42 -0.509 27.896 -1.747 1.00 0.00 O ATOM 594 CB GLN A 42 -1.425 28.184 1.458 1.00 0.00 C ATOM 595 CG GLN A 42 -2.547 28.449 2.449 1.00 0.00 C ATOM 596 CD GLN A 42 -2.667 29.915 2.816 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.728 30.514 3.342 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.825 30.502 2.541 1.00 0.00 N ATOM 0 H GLN A 42 -3.143 27.588 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.626 29.999 0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.372 27.113 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.476 28.472 1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.490 28.106 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.374 27.865 3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.577 29.968 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.963 31.487 2.766 1.00 0.00 H new ATOM 607 N PRO A 43 0.773 29.241 -0.477 1.00 0.00 N ATOM 608 CA PRO A 43 1.986 29.038 -1.276 1.00 0.00 C ATOM 609 C PRO A 43 2.300 27.561 -1.466 1.00 0.00 C ATOM 610 O PRO A 43 1.952 26.734 -0.626 1.00 0.00 O ATOM 611 CB PRO A 43 3.078 29.716 -0.447 1.00 0.00 C ATOM 612 CG PRO A 43 2.356 30.739 0.360 1.00 0.00 C ATOM 613 CD PRO A 43 1.008 30.148 0.663 1.00 0.00 C ATOM 0 HA PRO A 43 1.888 29.445 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.594 28.999 0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.833 30.175 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.898 30.966 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.258 31.674 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.008 29.611 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.238 30.916 0.732 1.00 0.00 H new ATOM 621 N ASP A 44 2.955 27.232 -2.573 1.00 0.00 N ATOM 622 CA ASP A 44 3.308 25.847 -2.863 1.00 0.00 C ATOM 623 C ASP A 44 4.665 25.490 -2.265 1.00 0.00 C ATOM 624 O ASP A 44 5.426 24.717 -2.848 1.00 0.00 O ATOM 625 CB ASP A 44 3.324 25.608 -4.374 1.00 0.00 C ATOM 626 CG ASP A 44 4.323 26.498 -5.090 1.00 0.00 C ATOM 627 OD1 ASP A 44 4.185 27.736 -5.001 1.00 0.00 O ATOM 628 OD2 ASP A 44 5.242 25.956 -5.739 1.00 0.00 O ATOM 0 H ASP A 44 3.252 27.902 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 44 2.553 25.205 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.565 24.564 -4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.328 25.787 -4.778 1.00 0.00 H new ATOM 633 N LEU A 45 4.964 26.057 -1.101 1.00 0.00 N ATOM 634 CA LEU A 45 6.232 25.796 -0.429 1.00 0.00 C ATOM 635 C LEU A 45 6.041 24.883 0.773 1.00 0.00 C ATOM 636 O LEU A 45 6.677 23.835 0.881 1.00 0.00 O ATOM 637 CB LEU A 45 6.881 27.109 0.010 1.00 0.00 C ATOM 638 CG LEU A 45 8.225 26.960 0.725 1.00 0.00 C ATOM 639 CD1 LEU A 45 9.237 26.275 -0.179 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.741 28.319 1.174 1.00 0.00 C ATOM 0 H LEU A 45 4.347 26.699 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 45 6.889 25.292 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.022 27.738 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.191 27.634 0.671 1.00 0.00 H new ATOM 0 HG LEU A 45 8.080 26.338 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.187 26.178 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.870 25.285 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.381 26.870 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.698 28.195 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.871 28.964 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.024 28.773 1.858 1.00 0.00 H new ATOM 652 N ILE A 46 5.170 25.297 1.675 1.00 0.00 N ATOM 653 CA ILE A 46 4.893 24.534 2.881 1.00 0.00 C ATOM 654 C ILE A 46 3.912 23.390 2.623 1.00 0.00 C ATOM 655 O ILE A 46 4.198 22.240 2.956 1.00 0.00 O ATOM 656 CB ILE A 46 4.333 25.456 3.974 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.372 26.509 4.364 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.894 24.657 5.194 1.00 0.00 C ATOM 659 CD1 ILE A 46 6.658 25.918 4.902 1.00 0.00 C ATOM 0 H ILE A 46 4.638 26.164 1.595 1.00 0.00 H new ATOM 0 HA ILE A 46 5.836 24.098 3.212 1.00 0.00 H new ATOM 0 HB ILE A 46 3.455 25.963 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.600 27.123 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.943 27.170 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.502 25.336 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.118 23.948 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.748 24.114 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.349 26.722 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.442 25.327 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.110 25.279 4.143 1.00 0.00 H new ATOM 671 N PRO A 47 2.733 23.677 2.036 1.00 0.00 N ATOM 672 CA PRO A 47 1.733 22.643 1.765 1.00 0.00 C ATOM 673 C PRO A 47 2.169 21.693 0.659 1.00 0.00 C ATOM 674 O PRO A 47 1.855 20.507 0.696 1.00 0.00 O ATOM 675 CB PRO A 47 0.495 23.433 1.344 1.00 0.00 C ATOM 676 CG PRO A 47 1.028 24.716 0.813 1.00 0.00 C ATOM 677 CD PRO A 47 2.276 25.012 1.601 1.00 0.00 C ATOM 0 HA PRO A 47 1.564 22.006 2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.077 22.898 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.173 23.601 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.250 24.634 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.298 25.517 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.027 25.514 0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.069 25.662 2.451 1.00 0.00 H new ATOM 685 N LEU A 48 2.906 22.212 -0.318 1.00 0.00 N ATOM 686 CA LEU A 48 3.392 21.386 -1.418 1.00 0.00 C ATOM 687 C LEU A 48 4.260 20.264 -0.860 1.00 0.00 C ATOM 688 O LEU A 48 4.182 19.116 -1.299 1.00 0.00 O ATOM 689 CB LEU A 48 4.189 22.238 -2.413 1.00 0.00 C ATOM 690 CG LEU A 48 4.631 21.520 -3.693 1.00 0.00 C ATOM 691 CD1 LEU A 48 5.658 20.441 -3.384 1.00 0.00 C ATOM 692 CD2 LEU A 48 3.428 20.922 -4.407 1.00 0.00 C ATOM 0 H LEU A 48 3.178 23.194 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 48 2.543 20.953 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.584 23.101 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.076 22.621 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 48 5.098 22.253 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.955 19.946 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.533 20.894 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.223 19.708 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.758 20.416 -5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.934 20.206 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.729 21.716 -4.669 1.00 0.00 H new ATOM 704 N LEU A 49 5.068 20.615 0.136 1.00 0.00 N ATOM 705 CA LEU A 49 5.942 19.666 0.797 1.00 0.00 C ATOM 706 C LEU A 49 5.113 18.673 1.605 1.00 0.00 C ATOM 707 O LEU A 49 5.458 17.495 1.716 1.00 0.00 O ATOM 708 CB LEU A 49 6.923 20.433 1.691 1.00 0.00 C ATOM 709 CG LEU A 49 7.216 19.804 3.051 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.777 18.398 2.889 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.174 20.679 3.847 1.00 0.00 C ATOM 0 H LEU A 49 5.131 21.565 0.503 1.00 0.00 H new ATOM 0 HA LEU A 49 6.511 19.100 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.864 20.544 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.529 21.436 1.853 1.00 0.00 H new ATOM 0 HG LEU A 49 6.279 19.730 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.978 17.971 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.053 17.775 2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.703 18.440 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.372 20.216 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.109 20.787 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.727 21.661 4.000 1.00 0.00 H new ATOM 723 N ARG A 50 4.015 19.161 2.160 1.00 0.00 N ATOM 724 CA ARG A 50 3.126 18.330 2.952 1.00 0.00 C ATOM 725 C ARG A 50 2.307 17.425 2.039 1.00 0.00 C ATOM 726 O ARG A 50 2.138 16.231 2.303 1.00 0.00 O ATOM 727 CB ARG A 50 2.215 19.217 3.803 1.00 0.00 C ATOM 728 CG ARG A 50 2.100 18.768 5.249 1.00 0.00 C ATOM 729 CD ARG A 50 1.504 17.377 5.353 1.00 0.00 C ATOM 730 NE ARG A 50 1.430 16.917 6.739 1.00 0.00 N ATOM 731 CZ ARG A 50 0.649 17.470 7.665 1.00 0.00 C ATOM 732 NH1 ARG A 50 -0.166 18.469 7.350 1.00 0.00 N ATOM 733 NH2 ARG A 50 0.672 17.010 8.909 1.00 0.00 N ATOM 0 H ARG A 50 3.718 20.133 2.075 1.00 0.00 H new ATOM 0 HA ARG A 50 3.715 17.698 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.593 20.239 3.779 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.220 19.234 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.086 18.778 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.479 19.473 5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.505 17.377 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.106 16.680 4.771 1.00 0.00 H new ATOM 0 HE ARG A 50 2.011 16.125 7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.198 18.819 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.761 18.887 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.287 16.234 9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.075 17.432 9.620 1.00 0.00 H new ATOM 747 N THR A 51 1.829 17.999 0.944 1.00 0.00 N ATOM 748 CA THR A 51 1.056 17.254 -0.037 1.00 0.00 C ATOM 749 C THR A 51 1.844 16.030 -0.490 1.00 0.00 C ATOM 750 O THR A 51 1.326 14.911 -0.495 1.00 0.00 O ATOM 751 CB THR A 51 0.742 18.150 -1.231 1.00 0.00 C ATOM 752 OG1 THR A 51 -0.061 19.248 -0.837 1.00 0.00 O ATOM 753 CG2 THR A 51 0.022 17.433 -2.355 1.00 0.00 C ATOM 0 H THR A 51 1.964 18.983 0.713 1.00 0.00 H new ATOM 0 HA THR A 51 0.120 16.924 0.413 1.00 0.00 H new ATOM 0 HB THR A 51 1.712 18.481 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.464 19.851 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.168 18.132 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.641 16.612 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.925 17.038 -1.987 1.00 0.00 H new ATOM 761 N GLN A 52 3.113 16.245 -0.844 1.00 0.00 N ATOM 762 CA GLN A 52 3.970 15.146 -1.268 1.00 0.00 C ATOM 763 C GLN A 52 4.151 14.172 -0.123 1.00 0.00 C ATOM 764 O GLN A 52 4.036 12.961 -0.299 1.00 0.00 O ATOM 765 CB GLN A 52 5.328 15.654 -1.750 1.00 0.00 C ATOM 766 CG GLN A 52 6.053 16.552 -0.765 1.00 0.00 C ATOM 767 CD GLN A 52 7.461 16.887 -1.223 1.00 0.00 C ATOM 768 OE1 GLN A 52 8.352 16.039 -1.191 1.00 0.00 O ATOM 769 NE2 GLN A 52 7.662 18.118 -1.680 1.00 0.00 N ATOM 0 H GLN A 52 3.562 17.161 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 52 3.490 14.639 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.963 14.797 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.187 16.200 -2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.487 17.474 -0.632 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.096 16.061 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.895 18.790 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.583 18.391 -2.022 1.00 0.00 H new ATOM 778 N PHE A 53 4.407 14.715 1.061 1.00 0.00 N ATOM 779 CA PHE A 53 4.572 13.895 2.257 1.00 0.00 C ATOM 780 C PHE A 53 3.457 12.862 2.326 1.00 0.00 C ATOM 781 O PHE A 53 3.683 11.714 2.707 1.00 0.00 O ATOM 782 CB PHE A 53 4.579 14.770 3.511 1.00 0.00 C ATOM 783 CG PHE A 53 4.723 13.999 4.791 1.00 0.00 C ATOM 784 CD1 PHE A 53 3.680 13.228 5.276 1.00 0.00 C ATOM 785 CD2 PHE A 53 5.906 14.047 5.507 1.00 0.00 C ATOM 786 CE1 PHE A 53 3.815 12.519 6.455 1.00 0.00 C ATOM 787 CE2 PHE A 53 6.049 13.341 6.686 1.00 0.00 C ATOM 788 CZ PHE A 53 5.002 12.576 7.161 1.00 0.00 C ATOM 0 H PHE A 53 4.505 15.718 1.220 1.00 0.00 H new ATOM 0 HA PHE A 53 5.530 13.377 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.396 15.487 3.437 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.653 15.344 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.751 13.180 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.728 14.644 5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.994 11.922 6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.978 13.387 7.235 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.110 12.023 8.082 1.00 0.00 H new ATOM 798 N PHE A 54 2.262 13.267 1.909 1.00 0.00 N ATOM 799 CA PHE A 54 1.127 12.355 1.879 1.00 0.00 C ATOM 800 C PHE A 54 1.304 11.360 0.736 1.00 0.00 C ATOM 801 O PHE A 54 1.113 10.152 0.906 1.00 0.00 O ATOM 802 CB PHE A 54 -0.187 13.121 1.716 1.00 0.00 C ATOM 803 CG PHE A 54 -0.773 13.585 3.017 1.00 0.00 C ATOM 804 CD1 PHE A 54 -0.086 14.469 3.833 1.00 0.00 C ATOM 805 CD2 PHE A 54 -2.015 13.129 3.425 1.00 0.00 C ATOM 806 CE1 PHE A 54 -0.630 14.887 5.034 1.00 0.00 C ATOM 807 CE2 PHE A 54 -2.562 13.545 4.623 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.869 14.424 5.429 1.00 0.00 C ATOM 0 H PHE A 54 2.056 14.214 1.590 1.00 0.00 H new ATOM 0 HA PHE A 54 1.086 11.817 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.018 13.985 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.910 12.483 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.883 14.835 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.563 12.440 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.085 15.576 5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.532 13.182 4.929 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.295 14.749 6.367 1.00 0.00 H new ATOM 818 N ILE A 55 1.701 11.879 -0.428 1.00 0.00 N ATOM 819 CA ILE A 55 1.934 11.041 -1.599 1.00 0.00 C ATOM 820 C ILE A 55 2.859 9.884 -1.236 1.00 0.00 C ATOM 821 O ILE A 55 2.584 8.723 -1.545 1.00 0.00 O ATOM 822 CB ILE A 55 2.567 11.846 -2.754 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.694 13.049 -3.119 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.774 10.956 -3.968 1.00 0.00 C ATOM 825 CD1 ILE A 55 0.317 12.673 -3.617 1.00 0.00 C ATOM 0 H ILE A 55 1.867 12.874 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 55 0.967 10.660 -1.929 1.00 0.00 H new ATOM 0 HB ILE A 55 3.537 12.215 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.591 13.691 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.201 13.635 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.221 11.538 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.436 10.131 -3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.813 10.560 -4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.243 13.577 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.409 12.057 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.209 12.114 -2.844 1.00 0.00 H new ATOM 837 N VAL A 56 3.953 10.217 -0.560 1.00 0.00 N ATOM 838 CA VAL A 56 4.915 9.219 -0.132 1.00 0.00 C ATOM 839 C VAL A 56 4.330 8.386 0.991 1.00 0.00 C ATOM 840 O VAL A 56 4.453 7.161 0.998 1.00 0.00 O ATOM 841 CB VAL A 56 6.233 9.866 0.332 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.258 8.803 0.688 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.774 10.802 -0.738 1.00 0.00 C ATOM 0 H VAL A 56 4.192 11.173 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 56 5.136 8.580 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 56 6.030 10.453 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.181 9.282 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.870 8.179 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.459 8.184 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.706 11.250 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.959 10.240 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.045 11.588 -0.936 1.00 0.00 H new ATOM 853 N MET A 57 3.661 9.055 1.928 1.00 0.00 N ATOM 854 CA MET A 57 3.022 8.362 3.040 1.00 0.00 C ATOM 855 C MET A 57 2.227 7.169 2.523 1.00 0.00 C ATOM 856 O MET A 57 2.065 6.167 3.219 1.00 0.00 O ATOM 857 CB MET A 57 2.093 9.314 3.800 1.00 0.00 C ATOM 858 CG MET A 57 1.225 8.619 4.841 1.00 0.00 C ATOM 859 SD MET A 57 2.193 7.811 6.131 1.00 0.00 S ATOM 860 CE MET A 57 3.083 9.205 6.818 1.00 0.00 C ATOM 0 H MET A 57 3.549 10.069 1.938 1.00 0.00 H new ATOM 0 HA MET A 57 3.797 8.009 3.721 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.694 10.078 4.292 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.449 9.826 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.558 9.350 5.298 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.596 7.878 4.347 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.601 8.895 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.810 9.566 6.091 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.380 10.004 7.056 1.00 0.00 H new ATOM 870 N GLY A 58 1.728 7.292 1.295 1.00 0.00 N ATOM 871 CA GLY A 58 0.953 6.222 0.706 1.00 0.00 C ATOM 872 C GLY A 58 1.795 5.201 -0.038 1.00 0.00 C ATOM 873 O GLY A 58 1.787 4.020 0.307 1.00 0.00 O ATOM 0 H GLY A 58 1.848 8.113 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.393 5.715 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.223 6.649 0.018 1.00 0.00 H new ATOM 877 N LEU A 59 2.520 5.644 -1.064 1.00 0.00 N ATOM 878 CA LEU A 59 3.357 4.736 -1.849 1.00 0.00 C ATOM 879 C LEU A 59 4.283 3.925 -0.942 1.00 0.00 C ATOM 880 O LEU A 59 4.704 2.822 -1.292 1.00 0.00 O ATOM 881 CB LEU A 59 4.176 5.519 -2.879 1.00 0.00 C ATOM 882 CG LEU A 59 5.208 6.485 -2.298 1.00 0.00 C ATOM 883 CD1 LEU A 59 6.404 5.733 -1.731 1.00 0.00 C ATOM 884 CD2 LEU A 59 5.654 7.486 -3.355 1.00 0.00 C ATOM 0 H LEU A 59 2.546 6.617 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 59 2.702 4.043 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.692 4.808 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.490 6.083 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 59 4.738 7.031 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.122 6.445 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.070 5.062 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.877 5.152 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.389 8.166 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.101 6.954 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.792 8.056 -3.703 1.00 0.00 H new ATOM 896 N VAL A 60 4.592 4.482 0.224 1.00 0.00 N ATOM 897 CA VAL A 60 5.463 3.824 1.190 1.00 0.00 C ATOM 898 C VAL A 60 4.754 2.650 1.849 1.00 0.00 C ATOM 899 O VAL A 60 5.385 1.694 2.294 1.00 0.00 O ATOM 900 CB VAL A 60 5.908 4.811 2.282 1.00 0.00 C ATOM 901 CG1 VAL A 60 4.746 5.181 3.193 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.072 4.245 3.081 1.00 0.00 C ATOM 0 H VAL A 60 4.249 5.395 0.524 1.00 0.00 H new ATOM 0 HA VAL A 60 6.336 3.461 0.648 1.00 0.00 H new ATOM 0 HB VAL A 60 6.248 5.723 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.090 5.880 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.956 5.646 2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.359 4.282 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.369 4.961 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.768 3.311 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.914 4.057 2.414 1.00 0.00 H new ATOM 912 N ASP A 61 3.437 2.752 1.921 1.00 0.00 N ATOM 913 CA ASP A 61 2.604 1.720 2.536 1.00 0.00 C ATOM 914 C ASP A 61 2.468 0.494 1.633 1.00 0.00 C ATOM 915 O ASP A 61 2.164 -0.603 2.102 1.00 0.00 O ATOM 916 CB ASP A 61 1.224 2.291 2.841 1.00 0.00 C ATOM 917 CG ASP A 61 0.352 1.334 3.632 1.00 0.00 C ATOM 918 OD1 ASP A 61 0.835 0.235 3.978 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.814 1.685 3.908 1.00 0.00 O ATOM 0 H ASP A 61 2.912 3.548 1.558 1.00 0.00 H new ATOM 0 HA ASP A 61 3.087 1.403 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.336 3.220 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.724 2.541 1.905 1.00 0.00 H new ATOM 924 N ALA A 62 2.689 0.688 0.337 1.00 0.00 N ATOM 925 CA ALA A 62 2.592 -0.402 -0.639 1.00 0.00 C ATOM 926 C ALA A 62 3.879 -1.213 -0.686 1.00 0.00 C ATOM 927 O ALA A 62 3.868 -2.431 -0.532 1.00 0.00 O ATOM 928 CB ALA A 62 2.299 0.164 -2.019 1.00 0.00 C ATOM 0 H ALA A 62 2.937 1.591 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 62 1.780 -1.060 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.228 -0.651 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.356 0.710 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.102 0.839 -2.313 1.00 0.00 H new ATOM 934 N ILE A 63 4.985 -0.513 -0.894 1.00 0.00 N ATOM 935 CA ILE A 63 6.311 -1.124 -0.961 1.00 0.00 C ATOM 936 C ILE A 63 6.525 -2.237 0.067 1.00 0.00 C ATOM 937 O ILE A 63 7.180 -3.238 -0.228 1.00 0.00 O ATOM 938 CB ILE A 63 7.398 -0.046 -0.762 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.735 0.596 -2.101 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.656 -0.627 -0.123 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.301 -0.398 -3.087 1.00 0.00 C ATOM 0 H ILE A 63 4.991 0.499 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 63 6.385 -1.578 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 63 7.005 0.711 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.837 1.049 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.455 1.400 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.398 0.161 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.408 -1.049 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.062 -1.410 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.525 0.108 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.215 -0.832 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.572 -1.188 -3.266 1.00 0.00 H new ATOM 953 N PRO A 64 5.999 -2.085 1.286 1.00 0.00 N ATOM 954 CA PRO A 64 6.172 -3.077 2.333 1.00 0.00 C ATOM 955 C PRO A 64 5.159 -4.203 2.206 1.00 0.00 C ATOM 956 O PRO A 64 5.522 -5.370 2.054 1.00 0.00 O ATOM 957 CB PRO A 64 5.951 -2.268 3.629 1.00 0.00 C ATOM 958 CG PRO A 64 5.682 -0.856 3.188 1.00 0.00 C ATOM 959 CD PRO A 64 5.206 -0.961 1.770 1.00 0.00 C ATOM 0 HA PRO A 64 7.146 -3.566 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.112 -2.666 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.828 -2.316 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.930 -0.384 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.583 -0.246 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.135 -1.157 1.709 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.396 -0.049 1.204 1.00 0.00 H new ATOM 967 N MET A 65 3.886 -3.839 2.240 1.00 0.00 N ATOM 968 CA MET A 65 2.813 -4.798 2.102 1.00 0.00 C ATOM 969 C MET A 65 2.922 -5.533 0.771 1.00 0.00 C ATOM 970 O MET A 65 2.450 -6.663 0.635 1.00 0.00 O ATOM 971 CB MET A 65 1.473 -4.076 2.213 1.00 0.00 C ATOM 972 CG MET A 65 0.913 -4.059 3.627 1.00 0.00 C ATOM 973 SD MET A 65 0.569 -5.713 4.255 1.00 0.00 S ATOM 974 CE MET A 65 -0.058 -5.333 5.888 1.00 0.00 C ATOM 0 H MET A 65 3.574 -2.876 2.363 1.00 0.00 H new ATOM 0 HA MET A 65 2.886 -5.538 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.591 -3.050 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.753 -4.557 1.551 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.623 -3.563 4.289 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.004 -3.470 3.644 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.316 -6.258 6.403 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.705 -4.802 6.456 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.946 -4.707 5.800 1.00 0.00 H new ATOM 984 N ILE A 66 3.562 -4.894 -0.205 1.00 0.00 N ATOM 985 CA ILE A 66 3.736 -5.502 -1.513 1.00 0.00 C ATOM 986 C ILE A 66 4.949 -6.412 -1.523 1.00 0.00 C ATOM 987 O ILE A 66 4.877 -7.520 -2.030 1.00 0.00 O ATOM 988 CB ILE A 66 3.852 -4.445 -2.637 1.00 0.00 C ATOM 989 CG1 ILE A 66 3.624 -5.087 -4.010 1.00 0.00 C ATOM 990 CG2 ILE A 66 5.207 -3.756 -2.598 1.00 0.00 C ATOM 991 CD1 ILE A 66 4.687 -6.090 -4.404 1.00 0.00 C ATOM 0 H ILE A 66 3.965 -3.962 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 66 2.843 -6.095 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 66 3.080 -3.694 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.653 -5.582 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.582 -4.302 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.263 -3.018 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.335 -3.259 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.996 -4.496 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.454 -6.499 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.658 -5.597 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.715 -6.897 -3.672 1.00 0.00 H new ATOM 1003 N ALA A 67 6.055 -5.958 -0.949 1.00 0.00 N ATOM 1004 CA ALA A 67 7.250 -6.788 -0.895 1.00 0.00 C ATOM 1005 C ALA A 67 6.945 -8.065 -0.121 1.00 0.00 C ATOM 1006 O ALA A 67 7.423 -9.151 -0.463 1.00 0.00 O ATOM 1007 CB ALA A 67 8.403 -6.031 -0.254 1.00 0.00 C ATOM 0 H ALA A 67 6.150 -5.037 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 67 7.549 -7.050 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.286 -6.670 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.622 -5.138 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.129 -5.742 0.761 1.00 0.00 H new ATOM 1013 N VAL A 68 6.115 -7.930 0.910 1.00 0.00 N ATOM 1014 CA VAL A 68 5.719 -9.073 1.717 1.00 0.00 C ATOM 1015 C VAL A 68 4.767 -9.954 0.932 1.00 0.00 C ATOM 1016 O VAL A 68 4.922 -11.176 0.903 1.00 0.00 O ATOM 1017 CB VAL A 68 5.055 -8.646 3.040 1.00 0.00 C ATOM 1018 CG1 VAL A 68 3.768 -7.878 2.786 1.00 0.00 C ATOM 1019 CG2 VAL A 68 4.799 -9.855 3.926 1.00 0.00 C ATOM 0 H VAL A 68 5.707 -7.042 1.203 1.00 0.00 H new ATOM 0 HA VAL A 68 6.624 -9.628 1.963 1.00 0.00 H new ATOM 0 HB VAL A 68 5.742 -7.979 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.322 -7.590 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.987 -6.984 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.071 -8.509 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.330 -9.532 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.139 -10.552 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.745 -10.349 4.150 1.00 0.00 H new ATOM 1029 N GLY A 69 3.796 -9.333 0.266 1.00 0.00 N ATOM 1030 CA GLY A 69 2.868 -10.104 -0.534 1.00 0.00 C ATOM 1031 C GLY A 69 3.599 -10.828 -1.642 1.00 0.00 C ATOM 1032 O GLY A 69 3.248 -11.943 -2.020 1.00 0.00 O ATOM 0 H GLY A 69 3.639 -8.325 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.346 -10.824 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.111 -9.445 -0.960 1.00 0.00 H new ATOM 1036 N LEU A 70 4.637 -10.175 -2.144 1.00 0.00 N ATOM 1037 CA LEU A 70 5.472 -10.710 -3.194 1.00 0.00 C ATOM 1038 C LEU A 70 6.197 -11.950 -2.701 1.00 0.00 C ATOM 1039 O LEU A 70 6.307 -12.941 -3.416 1.00 0.00 O ATOM 1040 CB LEU A 70 6.477 -9.645 -3.627 1.00 0.00 C ATOM 1041 CG LEU A 70 6.689 -9.553 -5.126 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.698 -8.467 -5.463 1.00 0.00 C ATOM 1043 CD2 LEU A 70 7.128 -10.896 -5.690 1.00 0.00 C ATOM 0 H LEU A 70 4.921 -9.249 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 70 4.853 -10.989 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.140 -8.675 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.435 -9.852 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 70 5.739 -9.285 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.834 -8.419 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.333 -7.506 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.652 -8.696 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.275 -10.808 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.063 -11.200 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.361 -11.644 -5.488 1.00 0.00 H new ATOM 1055 N GLY A 71 6.676 -11.886 -1.465 1.00 0.00 N ATOM 1056 CA GLY A 71 7.371 -13.018 -0.883 1.00 0.00 C ATOM 1057 C GLY A 71 6.440 -14.196 -0.700 1.00 0.00 C ATOM 1058 O GLY A 71 6.679 -15.282 -1.232 1.00 0.00 O ATOM 0 H GLY A 71 6.596 -11.072 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.204 -13.306 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.794 -12.732 0.080 1.00 0.00 H new ATOM 1062 N LEU A 72 5.355 -13.969 0.034 1.00 0.00 N ATOM 1063 CA LEU A 72 4.361 -15.006 0.266 1.00 0.00 C ATOM 1064 C LEU A 72 3.860 -15.549 -1.068 1.00 0.00 C ATOM 1065 O LEU A 72 3.583 -16.744 -1.216 1.00 0.00 O ATOM 1066 CB LEU A 72 3.193 -14.444 1.084 1.00 0.00 C ATOM 1067 CG LEU A 72 3.557 -13.980 2.495 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.329 -13.442 3.213 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.183 -15.118 3.286 1.00 0.00 C ATOM 0 H LEU A 72 5.144 -13.075 0.478 1.00 0.00 H new ATOM 0 HA LEU A 72 4.819 -15.819 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.760 -13.603 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.419 -15.208 1.157 1.00 0.00 H new ATOM 0 HG LEU A 72 4.288 -13.175 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.607 -13.117 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.923 -12.597 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.575 -14.226 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.435 -14.769 4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.475 -15.944 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.087 -15.458 2.781 1.00 0.00 H new ATOM 1081 N TYR A 73 3.768 -14.661 -2.051 1.00 0.00 N ATOM 1082 CA TYR A 73 3.321 -15.054 -3.374 1.00 0.00 C ATOM 1083 C TYR A 73 4.376 -15.938 -4.026 1.00 0.00 C ATOM 1084 O TYR A 73 4.058 -16.946 -4.662 1.00 0.00 O ATOM 1085 CB TYR A 73 3.027 -13.823 -4.228 1.00 0.00 C ATOM 1086 CG TYR A 73 2.311 -14.141 -5.517 1.00 0.00 C ATOM 1087 CD1 TYR A 73 2.988 -14.698 -6.594 1.00 0.00 C ATOM 1088 CD2 TYR A 73 0.950 -13.890 -5.653 1.00 0.00 C ATOM 1089 CE1 TYR A 73 2.330 -14.994 -7.773 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.287 -14.184 -6.828 1.00 0.00 C ATOM 1091 CZ TYR A 73 0.982 -14.734 -7.886 1.00 0.00 C ATOM 1092 OH TYR A 73 0.323 -15.027 -9.058 1.00 0.00 O ATOM 0 H TYR A 73 3.996 -13.672 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 73 2.395 -15.623 -3.288 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.423 -13.125 -3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.965 -13.318 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.045 -14.903 -6.509 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.403 -13.459 -4.827 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.870 -15.427 -8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.771 -13.984 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.631 -15.155 -8.874 1.00 0.00 H new ATOM 1102 N VAL A 74 5.644 -15.580 -3.825 1.00 0.00 N ATOM 1103 CA VAL A 74 6.744 -16.372 -4.356 1.00 0.00 C ATOM 1104 C VAL A 74 6.625 -17.792 -3.826 1.00 0.00 C ATOM 1105 O VAL A 74 6.907 -18.760 -4.532 1.00 0.00 O ATOM 1106 CB VAL A 74 8.120 -15.789 -3.972 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.248 -16.685 -4.469 1.00 0.00 C ATOM 1108 CG2 VAL A 74 8.275 -14.376 -4.520 1.00 0.00 C ATOM 0 H VAL A 74 5.930 -14.752 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 74 6.679 -16.358 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 74 8.178 -15.744 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.208 -16.253 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.150 -17.675 -4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.194 -16.770 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.252 -13.982 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.191 -14.396 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.494 -13.738 -4.107 1.00 0.00 H new ATOM 1118 N MET A 75 6.166 -17.905 -2.580 1.00 0.00 N ATOM 1119 CA MET A 75 5.965 -19.206 -1.963 1.00 0.00 C ATOM 1120 C MET A 75 4.916 -19.966 -2.756 1.00 0.00 C ATOM 1121 O MET A 75 5.122 -21.119 -3.135 1.00 0.00 O ATOM 1122 CB MET A 75 5.532 -19.059 -0.504 1.00 0.00 C ATOM 1123 CG MET A 75 5.326 -20.388 0.205 1.00 0.00 C ATOM 1124 SD MET A 75 6.822 -21.396 0.239 1.00 0.00 S ATOM 1125 CE MET A 75 6.233 -22.845 1.110 1.00 0.00 C ATOM 0 H MET A 75 5.929 -17.112 -1.984 1.00 0.00 H new ATOM 0 HA MET A 75 6.905 -19.758 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 75 6.285 -18.482 0.034 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.605 -18.488 -0.464 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.994 -20.203 1.227 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.530 -20.942 -0.293 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.046 -23.564 1.211 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.879 -22.556 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.415 -23.298 0.551 1.00 0.00 H new ATOM 1135 N PHE A 76 3.797 -19.295 -3.040 1.00 0.00 N ATOM 1136 CA PHE A 76 2.734 -19.906 -3.833 1.00 0.00 C ATOM 1137 C PHE A 76 3.316 -20.469 -5.127 1.00 0.00 C ATOM 1138 O PHE A 76 2.881 -21.510 -5.618 1.00 0.00 O ATOM 1139 CB PHE A 76 1.626 -18.885 -4.142 1.00 0.00 C ATOM 1140 CG PHE A 76 0.790 -19.236 -5.346 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.288 -19.042 -6.625 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.481 -19.771 -5.202 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.536 -19.370 -7.737 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.239 -20.100 -6.313 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.729 -19.899 -7.581 1.00 0.00 C ATOM 0 H PHE A 76 3.607 -18.340 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 76 2.291 -20.719 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.974 -18.797 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.081 -17.907 -4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.277 -18.629 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.884 -19.933 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.938 -19.213 -8.727 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.229 -20.514 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.319 -20.155 -8.448 1.00 0.00 H new ATOM 1155 N ALA A 77 4.307 -19.768 -5.668 1.00 0.00 N ATOM 1156 CA ALA A 77 4.958 -20.191 -6.901 1.00 0.00 C ATOM 1157 C ALA A 77 5.752 -21.477 -6.689 1.00 0.00 C ATOM 1158 O ALA A 77 5.951 -22.256 -7.622 1.00 0.00 O ATOM 1159 CB ALA A 77 5.868 -19.090 -7.423 1.00 0.00 C ATOM 0 H ALA A 77 4.676 -18.904 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 77 4.183 -20.389 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.347 -19.421 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.279 -18.195 -7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.631 -18.865 -6.678 1.00 0.00 H new ATOM 1165 N VAL A 78 6.203 -21.693 -5.457 1.00 0.00 N ATOM 1166 CA VAL A 78 6.976 -22.884 -5.124 1.00 0.00 C ATOM 1167 C VAL A 78 6.102 -24.134 -5.167 1.00 0.00 C ATOM 1168 O VAL A 78 6.535 -25.192 -5.622 1.00 0.00 O ATOM 1169 CB VAL A 78 7.618 -22.764 -3.728 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.477 -23.981 -3.423 1.00 0.00 C ATOM 1171 CG2 VAL A 78 8.434 -21.485 -3.626 1.00 0.00 C ATOM 0 H VAL A 78 6.046 -21.059 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 78 7.765 -22.971 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 78 6.821 -22.721 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.920 -23.875 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.859 -24.878 -3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.269 -24.064 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.880 -21.416 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.222 -21.495 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.785 -20.625 -3.792 1.00 0.00 H new ATOM 1181 N ALA A 79 4.868 -24.004 -4.689 1.00 0.00 N ATOM 1182 CA ALA A 79 3.933 -25.122 -4.673 1.00 0.00 C ATOM 1183 C ALA A 79 4.464 -26.270 -3.820 1.00 0.00 C ATOM 1184 O ALA A 79 5.298 -27.047 -4.328 1.00 0.00 O ATOM 1185 CB ALA A 79 3.658 -25.602 -6.090 1.00 0.00 C ATOM 1186 OXT ALA A 79 4.043 -26.379 -2.649 1.00 0.00 O ATOM 0 H ALA A 79 4.493 -23.135 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 79 2.999 -24.775 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.958 -26.437 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.228 -24.788 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.591 -25.926 -6.552 1.00 0.00 H new TER 1192 ALA A 79