USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 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 Single : A 1 MET CE :methyl 144:sc= -0.185 (180deg=-0.818) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.108 (180deg=-0.42) USER MOD Single : A 3 ASN : amide:sc= 0.0803 K(o=0.08,f=-3.5!) USER MOD Single : A 5 ASN : amide:sc= -5.52! C(o=-5.5!,f=-12!) USER MOD Single : A 6 MET CE :methyl 179:sc= -1.69 (180deg=-1.8!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -143:sc= -0.507 (180deg=-1.93) USER MOD Single : A 17 MET CE :methyl -111:sc= -1.76 (180deg=-4.41!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= -0.336 (180deg=-0.38) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.784 F(o=-1.4,f=-0.78) USER MOD Single : A 51 THR OG1 : rot 100:sc= 1.2 USER MOD Single : A 52 GLN :FLIP amide:sc= -6.82! C(o=-12!,f=-6.8!) USER MOD Single : A 57 MET CE :methyl -135:sc= -2.39 (180deg=-3.77!) USER MOD Single : A 65 MET CE :methyl 148:sc= -4.07! (180deg=-5.33!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -154:sc= -6.29! (180deg=-7.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.922 -28.211 3.658 1.00 0.00 N ATOM 2 CA MET A 1 -5.007 -26.729 3.743 1.00 0.00 C ATOM 3 C MET A 1 -3.995 -26.049 2.826 1.00 0.00 C ATOM 4 O MET A 1 -4.031 -24.833 2.642 1.00 0.00 O ATOM 5 CB MET A 1 -4.767 -26.307 5.194 1.00 0.00 C ATOM 6 CG MET A 1 -5.804 -26.845 6.164 1.00 0.00 C ATOM 7 SD MET A 1 -5.500 -26.320 7.862 1.00 0.00 S ATOM 8 CE MET A 1 -5.594 -24.541 7.688 1.00 0.00 C ATOM 0 H1 MET A 1 -5.763 -28.633 4.100 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.874 -28.499 2.660 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.069 -28.539 4.154 1.00 0.00 H new ATOM 0 HA MET A 1 -5.999 -26.418 3.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.780 -26.649 5.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.759 -25.218 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.794 -26.509 5.855 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.808 -27.934 6.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.055 -24.112 8.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.590 -24.134 7.567 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.194 -24.292 6.813 1.00 0.00 H new ATOM 20 N GLU A 2 -3.099 -26.838 2.250 1.00 0.00 N ATOM 21 CA GLU A 2 -2.084 -26.304 1.348 1.00 0.00 C ATOM 22 C GLU A 2 -2.731 -25.575 0.175 1.00 0.00 C ATOM 23 O GLU A 2 -2.611 -24.355 0.038 1.00 0.00 O ATOM 24 CB GLU A 2 -1.173 -27.421 0.829 1.00 0.00 C ATOM 25 CG GLU A 2 -0.228 -27.985 1.881 1.00 0.00 C ATOM 26 CD GLU A 2 -0.951 -28.693 3.008 1.00 0.00 C ATOM 27 OE1 GLU A 2 -1.646 -29.694 2.731 1.00 0.00 O ATOM 28 OE2 GLU A 2 -0.823 -28.248 4.168 1.00 0.00 O ATOM 0 H GLU A 2 -3.053 -27.847 2.389 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.479 -25.594 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.792 -28.230 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.585 -27.039 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.462 -28.682 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.372 -27.174 2.294 1.00 0.00 H new ATOM 35 N ASN A 3 -3.414 -26.333 -0.673 1.00 0.00 N ATOM 36 CA ASN A 3 -4.079 -25.764 -1.837 1.00 0.00 C ATOM 37 C ASN A 3 -5.113 -24.724 -1.418 1.00 0.00 C ATOM 38 O ASN A 3 -5.337 -23.743 -2.128 1.00 0.00 O ATOM 39 CB ASN A 3 -4.741 -26.869 -2.664 1.00 0.00 C ATOM 40 CG ASN A 3 -5.744 -27.674 -1.861 1.00 0.00 C ATOM 41 OD1 ASN A 3 -5.399 -28.283 -0.848 1.00 0.00 O ATOM 42 ND2 ASN A 3 -6.992 -27.688 -2.314 1.00 0.00 N ATOM 0 H ASN A 3 -3.522 -27.343 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.327 -25.269 -2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -5.242 -26.424 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.973 -27.537 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.709 -28.218 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.234 -27.169 -3.158 1.00 0.00 H new ATOM 49 N LEU A 4 -5.734 -24.939 -0.263 1.00 0.00 N ATOM 50 CA LEU A 4 -6.740 -24.011 0.246 1.00 0.00 C ATOM 51 C LEU A 4 -6.115 -22.683 0.639 1.00 0.00 C ATOM 52 O LEU A 4 -6.679 -21.629 0.357 1.00 0.00 O ATOM 53 CB LEU A 4 -7.490 -24.622 1.433 1.00 0.00 C ATOM 54 CG LEU A 4 -8.259 -25.908 1.121 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.012 -26.393 2.351 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.216 -25.688 -0.040 1.00 0.00 C ATOM 0 H LEU A 4 -5.560 -25.745 0.337 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.454 -23.823 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.774 -24.829 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.191 -23.882 1.820 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.541 -26.677 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.553 -27.308 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.304 -26.591 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.719 -25.627 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.754 -26.613 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.928 -24.904 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.653 -25.389 -0.924 1.00 0.00 H new ATOM 68 N ASN A 5 -4.944 -22.718 1.269 1.00 0.00 N ATOM 69 CA ASN A 5 -4.290 -21.479 1.652 1.00 0.00 C ATOM 70 C ASN A 5 -3.784 -20.765 0.409 1.00 0.00 C ATOM 71 O ASN A 5 -3.785 -19.540 0.347 1.00 0.00 O ATOM 72 CB ASN A 5 -3.142 -21.708 2.644 1.00 0.00 C ATOM 73 CG ASN A 5 -1.978 -22.485 2.056 1.00 0.00 C ATOM 74 OD1 ASN A 5 -1.513 -22.195 0.954 1.00 0.00 O ATOM 75 ND2 ASN A 5 -1.479 -23.458 2.808 1.00 0.00 N ATOM 0 H ASN A 5 -4.442 -23.570 1.518 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.027 -20.857 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.781 -20.743 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.525 -22.244 3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -0.679 -23.998 2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.895 -23.665 3.716 1.00 0.00 H new ATOM 82 N MET A 6 -3.365 -21.540 -0.590 1.00 0.00 N ATOM 83 CA MET A 6 -2.874 -20.965 -1.835 1.00 0.00 C ATOM 84 C MET A 6 -4.011 -20.302 -2.611 1.00 0.00 C ATOM 85 O MET A 6 -3.941 -19.111 -2.933 1.00 0.00 O ATOM 86 CB MET A 6 -2.192 -22.030 -2.698 1.00 0.00 C ATOM 87 CG MET A 6 -0.933 -22.604 -2.069 1.00 0.00 C ATOM 88 SD MET A 6 0.057 -23.558 -3.237 1.00 0.00 S ATOM 89 CE MET A 6 -1.128 -24.789 -3.771 1.00 0.00 C ATOM 0 H MET A 6 -3.357 -22.560 -0.560 1.00 0.00 H new ATOM 0 HA MET A 6 -2.136 -20.203 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.897 -22.840 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.940 -21.596 -3.665 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.329 -21.790 -1.667 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.210 -23.241 -1.229 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.665 -25.443 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.449 -25.381 -2.914 1.00 0.00 H new ATOM 0 HE3 MET A 6 -1.992 -24.294 -4.214 1.00 0.00 H new ATOM 99 N ASP A 7 -5.066 -21.065 -2.903 1.00 0.00 N ATOM 100 CA ASP A 7 -6.200 -20.517 -3.628 1.00 0.00 C ATOM 101 C ASP A 7 -6.854 -19.418 -2.806 1.00 0.00 C ATOM 102 O ASP A 7 -7.176 -18.350 -3.329 1.00 0.00 O ATOM 103 CB ASP A 7 -7.214 -21.610 -3.989 1.00 0.00 C ATOM 104 CG ASP A 7 -7.836 -22.280 -2.780 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.496 -21.582 -1.984 1.00 0.00 O ATOM 106 OD2 ASP A 7 -7.681 -23.511 -2.643 1.00 0.00 O ATOM 0 H ASP A 7 -5.154 -22.049 -2.650 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.838 -20.090 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.005 -21.174 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.720 -22.366 -4.599 1.00 0.00 H new ATOM 111 N LEU A 8 -7.030 -19.670 -1.511 1.00 0.00 N ATOM 112 CA LEU A 8 -7.624 -18.670 -0.633 1.00 0.00 C ATOM 113 C LEU A 8 -6.759 -17.412 -0.620 1.00 0.00 C ATOM 114 O LEU A 8 -7.261 -16.303 -0.442 1.00 0.00 O ATOM 115 CB LEU A 8 -7.785 -19.223 0.785 1.00 0.00 C ATOM 116 CG LEU A 8 -8.533 -18.319 1.772 1.00 0.00 C ATOM 117 CD1 LEU A 8 -7.698 -17.100 2.136 1.00 0.00 C ATOM 118 CD2 LEU A 8 -9.873 -17.893 1.190 1.00 0.00 C ATOM 0 H LEU A 8 -6.774 -20.545 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.614 -18.415 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.309 -20.177 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.794 -19.429 1.189 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.714 -18.888 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.252 -16.476 2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.764 -17.423 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.479 -16.527 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.392 -17.252 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.709 -17.346 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.479 -18.776 0.988 1.00 0.00 H new ATOM 130 N LEU A 9 -5.451 -17.592 -0.825 1.00 0.00 N ATOM 131 CA LEU A 9 -4.519 -16.470 -0.843 1.00 0.00 C ATOM 132 C LEU A 9 -4.745 -15.603 -2.075 1.00 0.00 C ATOM 133 O LEU A 9 -5.077 -14.423 -1.954 1.00 0.00 O ATOM 134 CB LEU A 9 -3.070 -16.967 -0.796 1.00 0.00 C ATOM 135 CG LEU A 9 -2.008 -15.886 -0.587 1.00 0.00 C ATOM 136 CD1 LEU A 9 -0.657 -16.524 -0.302 1.00 0.00 C ATOM 137 CD2 LEU A 9 -1.919 -14.970 -1.800 1.00 0.00 C ATOM 0 H LEU A 9 -5.018 -18.503 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.702 -15.863 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.981 -17.699 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.853 -17.489 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.299 -15.282 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.090 -15.744 -0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.726 -17.135 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.366 -17.151 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.157 -14.210 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.654 -15.556 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.883 -14.487 -1.963 1.00 0.00 H new ATOM 149 N TYR A 10 -4.581 -16.182 -3.268 1.00 0.00 N ATOM 150 CA TYR A 10 -4.783 -15.416 -4.500 1.00 0.00 C ATOM 151 C TYR A 10 -6.133 -14.718 -4.448 1.00 0.00 C ATOM 152 O TYR A 10 -6.254 -13.535 -4.766 1.00 0.00 O ATOM 153 CB TYR A 10 -4.736 -16.310 -5.742 1.00 0.00 C ATOM 154 CG TYR A 10 -3.633 -17.345 -5.736 1.00 0.00 C ATOM 155 CD1 TYR A 10 -2.385 -17.065 -5.194 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.839 -18.598 -6.295 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.378 -18.010 -5.205 1.00 0.00 C ATOM 158 CE2 TYR A 10 -2.838 -19.547 -6.309 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.610 -19.250 -5.762 1.00 0.00 C ATOM 160 OH TYR A 10 -0.607 -20.194 -5.776 1.00 0.00 O ATOM 0 H TYR A 10 -4.315 -17.157 -3.406 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.975 -14.688 -4.572 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.694 -16.821 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.618 -15.679 -6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.200 -16.095 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.800 -18.835 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.413 -17.779 -4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.017 -20.518 -6.747 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.934 -21.013 -6.203 1.00 0.00 H new ATOM 170 N MET A 11 -7.143 -15.470 -4.028 1.00 0.00 N ATOM 171 CA MET A 11 -8.494 -14.948 -3.910 1.00 0.00 C ATOM 172 C MET A 11 -8.539 -13.883 -2.826 1.00 0.00 C ATOM 173 O MET A 11 -9.185 -12.845 -2.979 1.00 0.00 O ATOM 174 CB MET A 11 -9.459 -16.083 -3.578 1.00 0.00 C ATOM 175 CG MET A 11 -10.923 -15.687 -3.678 1.00 0.00 C ATOM 176 SD MET A 11 -12.038 -17.049 -3.288 1.00 0.00 S ATOM 177 CE MET A 11 -13.628 -16.267 -3.548 1.00 0.00 C ATOM 0 H MET A 11 -7.048 -16.450 -3.762 1.00 0.00 H new ATOM 0 HA MET A 11 -8.793 -14.499 -4.857 1.00 0.00 H new ATOM 0 HB2 MET A 11 -9.270 -16.918 -4.253 1.00 0.00 H new ATOM 0 HB3 MET A 11 -9.256 -16.438 -2.568 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.118 -14.857 -2.999 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.131 -15.330 -4.687 1.00 0.00 H new ATOM 0 HE1 MET A 11 -14.424 -16.984 -3.346 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.729 -15.415 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 11 -13.701 -15.925 -4.581 1.00 0.00 H new ATOM 187 N ALA A 12 -7.826 -14.142 -1.735 1.00 0.00 N ATOM 188 CA ALA A 12 -7.759 -13.204 -0.623 1.00 0.00 C ATOM 189 C ALA A 12 -7.229 -11.867 -1.095 1.00 0.00 C ATOM 190 O ALA A 12 -7.623 -10.833 -0.583 1.00 0.00 O ATOM 191 CB ALA A 12 -6.892 -13.756 0.499 1.00 0.00 C ATOM 0 H ALA A 12 -7.286 -14.996 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.767 -13.061 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.857 -13.038 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.314 -14.695 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.883 -13.931 0.126 1.00 0.00 H new ATOM 197 N ALA A 13 -6.347 -11.893 -2.086 1.00 0.00 N ATOM 198 CA ALA A 13 -5.793 -10.667 -2.630 1.00 0.00 C ATOM 199 C ALA A 13 -6.886 -9.882 -3.343 1.00 0.00 C ATOM 200 O ALA A 13 -6.939 -8.658 -3.263 1.00 0.00 O ATOM 201 CB ALA A 13 -4.645 -10.974 -3.579 1.00 0.00 C ATOM 0 H ALA A 13 -6.003 -12.747 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.400 -10.062 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.243 -10.042 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.861 -11.508 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.007 -11.593 -4.400 1.00 0.00 H new ATOM 207 N ALA A 14 -7.774 -10.601 -4.024 1.00 0.00 N ATOM 208 CA ALA A 14 -8.880 -9.967 -4.726 1.00 0.00 C ATOM 209 C ALA A 14 -9.801 -9.291 -3.722 1.00 0.00 C ATOM 210 O ALA A 14 -10.090 -8.100 -3.828 1.00 0.00 O ATOM 211 CB ALA A 14 -9.647 -10.989 -5.554 1.00 0.00 C ATOM 0 H ALA A 14 -7.748 -11.618 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.483 -9.214 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.470 -10.495 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.977 -11.440 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.044 -11.764 -4.899 1.00 0.00 H new ATOM 217 N VAL A 15 -10.238 -10.063 -2.731 1.00 0.00 N ATOM 218 CA VAL A 15 -11.108 -9.547 -1.682 1.00 0.00 C ATOM 219 C VAL A 15 -10.376 -8.479 -0.875 1.00 0.00 C ATOM 220 O VAL A 15 -10.944 -7.449 -0.527 1.00 0.00 O ATOM 221 CB VAL A 15 -11.570 -10.673 -0.737 1.00 0.00 C ATOM 222 CG1 VAL A 15 -12.530 -10.137 0.314 1.00 0.00 C ATOM 223 CG2 VAL A 15 -12.211 -11.802 -1.530 1.00 0.00 C ATOM 0 H VAL A 15 -10.002 -11.051 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.986 -9.112 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.695 -11.069 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.843 -10.950 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.032 -9.367 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.405 -9.710 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.532 -12.589 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.074 -11.420 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.487 -12.207 -2.237 1.00 0.00 H new ATOM 233 N MET A 16 -9.104 -8.742 -0.595 1.00 0.00 N ATOM 234 CA MET A 16 -8.259 -7.818 0.164 1.00 0.00 C ATOM 235 C MET A 16 -8.111 -6.475 -0.539 1.00 0.00 C ATOM 236 O MET A 16 -8.305 -5.421 0.065 1.00 0.00 O ATOM 237 CB MET A 16 -6.878 -8.440 0.389 1.00 0.00 C ATOM 238 CG MET A 16 -6.820 -9.375 1.578 1.00 0.00 C ATOM 239 SD MET A 16 -7.113 -8.527 3.142 1.00 0.00 S ATOM 240 CE MET A 16 -5.807 -7.302 3.110 1.00 0.00 C ATOM 0 H MET A 16 -8.629 -9.597 -0.885 1.00 0.00 H new ATOM 0 HA MET A 16 -8.745 -7.639 1.123 1.00 0.00 H new ATOM 0 HB2 MET A 16 -6.585 -8.987 -0.507 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.148 -7.643 0.529 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.562 -10.164 1.452 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.843 -9.858 1.608 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.413 -7.164 4.117 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.008 -7.640 2.451 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.205 -6.356 2.743 1.00 0.00 H new ATOM 250 N MET A 17 -7.753 -6.523 -1.809 1.00 0.00 N ATOM 251 CA MET A 17 -7.568 -5.310 -2.596 1.00 0.00 C ATOM 252 C MET A 17 -8.891 -4.578 -2.773 1.00 0.00 C ATOM 253 O MET A 17 -8.949 -3.350 -2.709 1.00 0.00 O ATOM 254 CB MET A 17 -6.961 -5.645 -3.960 1.00 0.00 C ATOM 255 CG MET A 17 -5.548 -6.205 -3.880 1.00 0.00 C ATOM 256 SD MET A 17 -4.353 -4.997 -3.279 1.00 0.00 S ATOM 257 CE MET A 17 -2.853 -5.977 -3.285 1.00 0.00 C ATOM 0 H MET A 17 -7.583 -7.389 -2.321 1.00 0.00 H new ATOM 0 HA MET A 17 -6.881 -4.656 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.601 -6.369 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.951 -4.745 -4.574 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.543 -7.074 -3.221 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.243 -6.552 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.535 -6.161 -2.259 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.042 -6.928 -3.783 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.069 -5.439 -3.817 1.00 0.00 H new ATOM 267 N GLY A 18 -9.958 -5.342 -2.988 1.00 0.00 N ATOM 268 CA GLY A 18 -11.268 -4.749 -3.165 1.00 0.00 C ATOM 269 C GLY A 18 -11.800 -4.145 -1.883 1.00 0.00 C ATOM 270 O GLY A 18 -12.216 -2.990 -1.863 1.00 0.00 O ATOM 0 H GLY A 18 -9.937 -6.360 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.215 -3.978 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.963 -5.508 -3.523 1.00 0.00 H new ATOM 274 N LEU A 19 -11.782 -4.928 -0.810 1.00 0.00 N ATOM 275 CA LEU A 19 -12.262 -4.463 0.485 1.00 0.00 C ATOM 276 C LEU A 19 -11.435 -3.273 0.944 1.00 0.00 C ATOM 277 O LEU A 19 -11.971 -2.261 1.401 1.00 0.00 O ATOM 278 CB LEU A 19 -12.194 -5.598 1.512 1.00 0.00 C ATOM 279 CG LEU A 19 -10.785 -6.030 1.926 1.00 0.00 C ATOM 280 CD1 LEU A 19 -10.215 -5.085 2.977 1.00 0.00 C ATOM 281 CD2 LEU A 19 -10.799 -7.462 2.440 1.00 0.00 C ATOM 0 H LEU A 19 -11.440 -5.889 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.302 -4.149 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -12.737 -5.289 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.716 -6.464 1.105 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.141 -5.985 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.213 -5.412 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.167 -4.075 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.857 -5.091 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.790 -7.754 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.460 -7.532 3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.157 -8.127 1.654 1.00 0.00 H new ATOM 293 N ALA A 20 -10.120 -3.393 0.794 1.00 0.00 N ATOM 294 CA ALA A 20 -9.216 -2.321 1.164 1.00 0.00 C ATOM 295 C ALA A 20 -9.448 -1.132 0.249 1.00 0.00 C ATOM 296 O ALA A 20 -9.308 0.017 0.656 1.00 0.00 O ATOM 297 CB ALA A 20 -7.769 -2.788 1.086 1.00 0.00 C ATOM 0 H ALA A 20 -9.661 -4.223 0.419 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.413 -2.023 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.107 -1.969 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.620 -3.626 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.543 -3.104 0.068 1.00 0.00 H new ATOM 303 N ALA A 21 -9.824 -1.428 -0.993 1.00 0.00 N ATOM 304 CA ALA A 21 -10.099 -0.389 -1.974 1.00 0.00 C ATOM 305 C ALA A 21 -11.332 0.401 -1.576 1.00 0.00 C ATOM 306 O ALA A 21 -11.357 1.627 -1.666 1.00 0.00 O ATOM 307 CB ALA A 21 -10.275 -0.994 -3.359 1.00 0.00 C ATOM 0 H ALA A 21 -9.944 -2.379 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.248 0.291 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.480 -0.202 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.363 -1.518 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.108 -1.697 -3.346 1.00 0.00 H new ATOM 313 N ILE A 22 -12.344 -0.313 -1.113 1.00 0.00 N ATOM 314 CA ILE A 22 -13.581 0.317 -0.675 1.00 0.00 C ATOM 315 C ILE A 22 -13.305 1.217 0.521 1.00 0.00 C ATOM 316 O ILE A 22 -13.520 2.425 0.461 1.00 0.00 O ATOM 317 CB ILE A 22 -14.657 -0.719 -0.295 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.938 -1.653 -1.470 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.939 -0.028 0.148 1.00 0.00 C ATOM 320 CD1 ILE A 22 -15.429 -0.937 -2.708 1.00 0.00 C ATOM 0 H ILE A 22 -12.335 -1.330 -1.030 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.962 0.904 -1.511 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.280 -1.311 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.028 -2.200 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.682 -2.390 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.684 -0.778 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.733 0.599 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.319 0.591 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.608 -1.663 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.357 -0.412 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.677 -0.219 -3.036 1.00 0.00 H new ATOM 332 N GLY A 23 -12.809 0.622 1.602 1.00 0.00 N ATOM 333 CA GLY A 23 -12.498 1.399 2.789 1.00 0.00 C ATOM 334 C GLY A 23 -11.516 2.512 2.486 1.00 0.00 C ATOM 335 O GLY A 23 -11.704 3.654 2.912 1.00 0.00 O ATOM 0 H GLY A 23 -12.618 -0.377 1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.415 1.824 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.082 0.744 3.554 1.00 0.00 H new ATOM 339 N ALA A 24 -10.472 2.176 1.733 1.00 0.00 N ATOM 340 CA ALA A 24 -9.458 3.149 1.356 1.00 0.00 C ATOM 341 C ALA A 24 -10.077 4.294 0.570 1.00 0.00 C ATOM 342 O ALA A 24 -9.813 5.458 0.847 1.00 0.00 O ATOM 343 CB ALA A 24 -8.361 2.487 0.537 1.00 0.00 C ATOM 0 H ALA A 24 -10.308 1.236 1.373 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.019 3.551 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.612 3.230 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.892 1.699 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.791 2.057 -0.367 1.00 0.00 H new ATOM 349 N ALA A 25 -10.904 3.957 -0.412 1.00 0.00 N ATOM 350 CA ALA A 25 -11.558 4.970 -1.231 1.00 0.00 C ATOM 351 C ALA A 25 -12.405 5.901 -0.372 1.00 0.00 C ATOM 352 O ALA A 25 -12.255 7.120 -0.423 1.00 0.00 O ATOM 353 CB ALA A 25 -12.413 4.314 -2.304 1.00 0.00 C ATOM 0 H ALA A 25 -11.137 2.995 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.785 5.565 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.894 5.084 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.783 3.694 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.175 3.693 -1.833 1.00 0.00 H new ATOM 359 N ILE A 26 -13.290 5.321 0.429 1.00 0.00 N ATOM 360 CA ILE A 26 -14.152 6.106 1.301 1.00 0.00 C ATOM 361 C ILE A 26 -13.344 7.092 2.144 1.00 0.00 C ATOM 362 O ILE A 26 -13.567 8.299 2.077 1.00 0.00 O ATOM 363 CB ILE A 26 -14.986 5.203 2.234 1.00 0.00 C ATOM 364 CG1 ILE A 26 -15.840 4.234 1.414 1.00 0.00 C ATOM 365 CG2 ILE A 26 -15.873 6.041 3.149 1.00 0.00 C ATOM 366 CD1 ILE A 26 -16.627 3.259 2.262 1.00 0.00 C ATOM 0 H ILE A 26 -13.429 4.312 0.492 1.00 0.00 H new ATOM 0 HA ILE A 26 -14.827 6.664 0.652 1.00 0.00 H new ATOM 0 HB ILE A 26 -14.298 4.628 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.531 4.806 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.193 3.675 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -16.451 5.383 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -15.251 6.696 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.552 6.644 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.210 2.602 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.940 2.662 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.299 3.809 2.920 1.00 0.00 H new ATOM 378 N GLY A 27 -12.413 6.576 2.946 1.00 0.00 N ATOM 379 CA GLY A 27 -11.611 7.443 3.797 1.00 0.00 C ATOM 380 C GLY A 27 -10.701 8.375 3.020 1.00 0.00 C ATOM 381 O GLY A 27 -10.609 9.559 3.340 1.00 0.00 O ATOM 0 H GLY A 27 -12.201 5.581 3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.274 8.036 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.006 6.828 4.463 1.00 0.00 H new ATOM 385 N ILE A 28 -10.021 7.854 1.996 1.00 0.00 N ATOM 386 CA ILE A 28 -9.125 8.684 1.194 1.00 0.00 C ATOM 387 C ILE A 28 -9.868 9.943 0.791 1.00 0.00 C ATOM 388 O ILE A 28 -9.386 11.057 0.970 1.00 0.00 O ATOM 389 CB ILE A 28 -8.590 7.932 -0.055 1.00 0.00 C ATOM 390 CG1 ILE A 28 -7.200 8.447 -0.442 1.00 0.00 C ATOM 391 CG2 ILE A 28 -9.538 8.045 -1.244 1.00 0.00 C ATOM 392 CD1 ILE A 28 -7.199 9.841 -1.036 1.00 0.00 C ATOM 0 H ILE A 28 -10.073 6.877 1.707 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.252 8.940 1.794 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.521 6.878 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.563 8.440 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.756 7.758 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.122 7.504 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.505 7.618 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.665 9.095 -1.509 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.178 10.131 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.808 9.852 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.611 10.545 -0.313 1.00 0.00 H new ATOM 404 N GLY A 29 -11.078 9.740 0.307 1.00 0.00 N ATOM 405 CA GLY A 29 -11.921 10.854 -0.064 1.00 0.00 C ATOM 406 C GLY A 29 -12.263 11.700 1.146 1.00 0.00 C ATOM 407 O GLY A 29 -12.268 12.928 1.075 1.00 0.00 O ATOM 0 H GLY A 29 -11.495 8.820 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.414 11.467 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.837 10.484 -0.525 1.00 0.00 H new ATOM 411 N ILE A 30 -12.536 11.033 2.270 1.00 0.00 N ATOM 412 CA ILE A 30 -12.865 11.727 3.512 1.00 0.00 C ATOM 413 C ILE A 30 -11.753 12.704 3.903 1.00 0.00 C ATOM 414 O ILE A 30 -11.900 13.917 3.758 1.00 0.00 O ATOM 415 CB ILE A 30 -13.114 10.723 4.667 1.00 0.00 C ATOM 416 CG1 ILE A 30 -14.315 9.843 4.337 1.00 0.00 C ATOM 417 CG2 ILE A 30 -13.347 11.449 5.986 1.00 0.00 C ATOM 418 CD1 ILE A 30 -15.606 10.614 4.174 1.00 0.00 C ATOM 0 H ILE A 30 -12.535 10.016 2.343 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.783 12.289 3.338 1.00 0.00 H new ATOM 0 HB ILE A 30 -12.226 10.100 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -14.111 9.295 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -14.441 9.104 5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.519 10.719 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.471 12.050 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.218 12.098 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.416 9.923 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.835 11.141 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.499 11.335 3.363 1.00 0.00 H new ATOM 430 N LEU A 31 -10.638 12.163 4.391 1.00 0.00 N ATOM 431 CA LEU A 31 -9.498 12.982 4.801 1.00 0.00 C ATOM 432 C LEU A 31 -8.858 13.663 3.599 1.00 0.00 C ATOM 433 O LEU A 31 -8.525 14.848 3.650 1.00 0.00 O ATOM 434 CB LEU A 31 -8.460 12.113 5.514 1.00 0.00 C ATOM 435 CG LEU A 31 -7.184 12.840 5.939 1.00 0.00 C ATOM 436 CD1 LEU A 31 -7.501 13.925 6.955 1.00 0.00 C ATOM 437 CD2 LEU A 31 -6.174 11.853 6.505 1.00 0.00 C ATOM 0 H LEU A 31 -10.499 11.160 4.512 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.859 13.751 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.922 11.676 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.187 11.288 4.856 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.747 13.313 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.581 14.431 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.189 14.647 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.962 13.476 7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.271 12.387 6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.602 11.352 7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.924 11.113 5.745 1.00 0.00 H new ATOM 449 N GLY A 32 -8.683 12.911 2.518 1.00 0.00 N ATOM 450 CA GLY A 32 -8.081 13.470 1.322 1.00 0.00 C ATOM 451 C GLY A 32 -8.788 14.732 0.882 1.00 0.00 C ATOM 452 O GLY A 32 -8.148 15.720 0.538 1.00 0.00 O ATOM 0 H GLY A 32 -8.946 11.928 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.030 13.688 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.115 12.734 0.519 1.00 0.00 H new ATOM 456 N GLY A 33 -10.117 14.699 0.909 1.00 0.00 N ATOM 457 CA GLY A 33 -10.895 15.857 0.518 1.00 0.00 C ATOM 458 C GLY A 33 -10.635 17.053 1.413 1.00 0.00 C ATOM 459 O GLY A 33 -10.281 18.126 0.934 1.00 0.00 O ATOM 0 H GLY A 33 -10.668 13.890 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.659 16.119 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.955 15.607 0.548 1.00 0.00 H new ATOM 463 N LYS A 34 -10.816 16.866 2.719 1.00 0.00 N ATOM 464 CA LYS A 34 -10.604 17.943 3.682 1.00 0.00 C ATOM 465 C LYS A 34 -9.185 18.498 3.590 1.00 0.00 C ATOM 466 O LYS A 34 -8.983 19.714 3.460 1.00 0.00 O ATOM 467 CB LYS A 34 -10.894 17.451 5.108 1.00 0.00 C ATOM 468 CG LYS A 34 -10.054 16.270 5.561 1.00 0.00 C ATOM 469 CD LYS A 34 -10.355 15.902 7.009 1.00 0.00 C ATOM 470 CE LYS A 34 -11.844 15.700 7.248 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.393 14.591 6.424 1.00 0.00 N ATOM 0 H LYS A 34 -11.108 15.981 3.133 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.296 18.750 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.736 18.277 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.947 17.176 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.250 15.413 4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.996 16.512 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.819 14.990 7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.986 16.688 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.017 15.488 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.377 16.622 7.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.389 14.430 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.328 14.842 5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.846 13.724 6.600 1.00 0.00 H new ATOM 485 N PHE A 35 -8.202 17.609 3.657 1.00 0.00 N ATOM 486 CA PHE A 35 -6.809 18.015 3.586 1.00 0.00 C ATOM 487 C PHE A 35 -6.532 18.666 2.238 1.00 0.00 C ATOM 488 O PHE A 35 -6.062 19.802 2.165 1.00 0.00 O ATOM 489 CB PHE A 35 -5.890 16.810 3.797 1.00 0.00 C ATOM 490 CG PHE A 35 -4.584 17.173 4.439 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.732 18.079 3.837 1.00 0.00 C ATOM 492 CD2 PHE A 35 -4.215 16.617 5.654 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.535 18.428 4.431 1.00 0.00 C ATOM 494 CE2 PHE A 35 -3.019 16.960 6.253 1.00 0.00 C ATOM 495 CZ PHE A 35 -2.178 17.868 5.641 1.00 0.00 C ATOM 0 H PHE A 35 -8.346 16.604 3.760 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.609 18.738 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.402 16.075 4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.696 16.335 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.006 18.520 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.870 15.908 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.879 19.138 3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.742 16.519 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.243 18.139 6.108 1.00 0.00 H new ATOM 505 N LEU A 36 -6.858 17.943 1.169 1.00 0.00 N ATOM 506 CA LEU A 36 -6.670 18.449 -0.186 1.00 0.00 C ATOM 507 C LEU A 36 -7.332 19.812 -0.338 1.00 0.00 C ATOM 508 O LEU A 36 -6.785 20.706 -0.976 1.00 0.00 O ATOM 509 CB LEU A 36 -7.251 17.473 -1.211 1.00 0.00 C ATOM 510 CG LEU A 36 -7.062 17.877 -2.674 1.00 0.00 C ATOM 511 CD1 LEU A 36 -5.584 18.012 -3.003 1.00 0.00 C ATOM 512 CD2 LEU A 36 -7.726 16.864 -3.597 1.00 0.00 C ATOM 0 H LEU A 36 -7.254 17.004 1.216 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.600 18.551 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.793 16.496 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.318 17.359 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.538 18.846 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.469 18.300 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.137 18.775 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.085 17.058 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.582 17.167 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.280 15.882 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.793 16.817 -3.378 1.00 0.00 H new ATOM 524 N GLU A 37 -8.512 19.967 0.266 1.00 0.00 N ATOM 525 CA GLU A 37 -9.240 21.230 0.201 1.00 0.00 C ATOM 526 C GLU A 37 -8.372 22.348 0.762 1.00 0.00 C ATOM 527 O GLU A 37 -7.976 23.266 0.040 1.00 0.00 O ATOM 528 CB GLU A 37 -10.553 21.136 0.989 1.00 0.00 C ATOM 529 CG GLU A 37 -11.576 22.213 0.642 1.00 0.00 C ATOM 530 CD GLU A 37 -11.062 23.626 0.850 1.00 0.00 C ATOM 531 OE1 GLU A 37 -10.242 24.089 0.031 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.481 24.269 1.836 1.00 0.00 O ATOM 0 H GLU A 37 -8.980 19.236 0.802 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.480 21.446 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.000 20.158 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.328 21.195 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.878 22.094 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.468 22.066 1.251 1.00 0.00 H new ATOM 539 N GLY A 38 -8.059 22.258 2.054 1.00 0.00 N ATOM 540 CA GLY A 38 -7.220 23.272 2.672 1.00 0.00 C ATOM 541 C GLY A 38 -5.939 23.490 1.888 1.00 0.00 C ATOM 542 O GLY A 38 -5.619 24.615 1.490 1.00 0.00 O ATOM 0 H GLY A 38 -8.367 21.511 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.771 24.210 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.977 22.972 3.691 1.00 0.00 H new ATOM 546 N ALA A 39 -5.211 22.404 1.651 1.00 0.00 N ATOM 547 CA ALA A 39 -3.966 22.468 0.899 1.00 0.00 C ATOM 548 C ALA A 39 -4.209 23.040 -0.492 1.00 0.00 C ATOM 549 O ALA A 39 -3.343 23.700 -1.065 1.00 0.00 O ATOM 550 CB ALA A 39 -3.340 21.088 0.802 1.00 0.00 C ATOM 0 H ALA A 39 -5.463 21.469 1.970 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.277 23.128 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.410 21.149 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.132 20.711 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.028 20.411 0.295 1.00 0.00 H new ATOM 556 N ALA A 40 -5.398 22.785 -1.029 1.00 0.00 N ATOM 557 CA ALA A 40 -5.756 23.284 -2.349 1.00 0.00 C ATOM 558 C ALA A 40 -5.976 24.788 -2.294 1.00 0.00 C ATOM 559 O ALA A 40 -5.745 25.499 -3.272 1.00 0.00 O ATOM 560 CB ALA A 40 -6.997 22.578 -2.875 1.00 0.00 C ATOM 0 H ALA A 40 -6.127 22.238 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.935 23.075 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.246 22.967 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.805 21.507 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.831 22.753 -2.195 1.00 0.00 H new ATOM 566 N ARG A 41 -6.403 25.271 -1.130 1.00 0.00 N ATOM 567 CA ARG A 41 -6.628 26.697 -0.934 1.00 0.00 C ATOM 568 C ARG A 41 -5.332 27.371 -0.486 1.00 0.00 C ATOM 569 O ARG A 41 -5.192 28.592 -0.565 1.00 0.00 O ATOM 570 CB ARG A 41 -7.736 26.925 0.098 1.00 0.00 C ATOM 571 CG ARG A 41 -8.092 28.388 0.303 1.00 0.00 C ATOM 572 CD ARG A 41 -9.230 28.547 1.300 1.00 0.00 C ATOM 573 NE ARG A 41 -9.535 29.951 1.570 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.709 30.784 2.200 1.00 0.00 C ATOM 575 NH1 ARG A 41 -7.539 30.351 2.655 1.00 0.00 N ATOM 576 NH2 ARG A 41 -9.058 32.048 2.386 1.00 0.00 N ATOM 0 H ARG A 41 -6.599 24.696 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.945 27.138 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.629 26.384 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.424 26.500 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.216 28.931 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.377 28.832 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.121 28.051 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.966 28.048 2.233 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.435 30.315 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.269 29.376 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.910 30.993 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.960 32.383 2.047 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.425 32.686 2.869 1.00 0.00 H new ATOM 590 N GLN A 42 -4.385 26.555 -0.026 1.00 0.00 N ATOM 591 CA GLN A 42 -3.098 27.026 0.419 1.00 0.00 C ATOM 592 C GLN A 42 -2.249 27.506 -0.755 1.00 0.00 C ATOM 593 O GLN A 42 -2.561 27.262 -1.921 1.00 0.00 O ATOM 594 CB GLN A 42 -2.370 25.899 1.159 1.00 0.00 C ATOM 595 CG GLN A 42 -2.854 25.687 2.584 1.00 0.00 C ATOM 596 CD GLN A 42 -2.103 24.578 3.295 1.00 0.00 C ATOM 597 OE1 GLN A 42 -2.822 23.535 3.694 1.00 0.00 O flip ATOM 598 NE2 GLN A 42 -0.889 24.656 3.481 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.501 25.544 0.044 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.254 27.870 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.495 24.971 0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.303 26.119 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.741 26.615 3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.918 25.450 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.375 25.476 3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.397 23.901 3.958 1.00 0.00 H new ATOM 607 N PRO A 43 -1.152 28.189 -0.429 1.00 0.00 N ATOM 608 CA PRO A 43 -0.203 28.728 -1.401 1.00 0.00 C ATOM 609 C PRO A 43 0.771 27.682 -1.928 1.00 0.00 C ATOM 610 O PRO A 43 1.756 28.017 -2.586 1.00 0.00 O ATOM 611 CB PRO A 43 0.538 29.798 -0.604 1.00 0.00 C ATOM 612 CG PRO A 43 0.454 29.360 0.824 1.00 0.00 C ATOM 613 CD PRO A 43 -0.764 28.478 0.953 1.00 0.00 C ATOM 0 HA PRO A 43 -0.707 29.103 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.575 29.882 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.081 30.778 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.354 28.817 1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.376 30.222 1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.536 27.564 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.565 28.983 1.493 1.00 0.00 H new ATOM 621 N ASP A 44 0.485 26.418 -1.653 1.00 0.00 N ATOM 622 CA ASP A 44 1.319 25.328 -2.117 1.00 0.00 C ATOM 623 C ASP A 44 0.475 24.331 -2.895 1.00 0.00 C ATOM 624 O ASP A 44 0.405 24.408 -4.120 1.00 0.00 O ATOM 625 CB ASP A 44 2.048 24.648 -0.949 1.00 0.00 C ATOM 626 CG ASP A 44 1.176 24.467 0.279 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.783 25.486 0.883 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.884 23.306 0.634 1.00 0.00 O ATOM 0 H ASP A 44 -0.325 26.124 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 44 2.084 25.732 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.411 23.673 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.922 25.241 -0.681 1.00 0.00 H new ATOM 633 N LEU A 45 -0.186 23.410 -2.190 1.00 0.00 N ATOM 634 CA LEU A 45 -1.028 22.411 -2.840 1.00 0.00 C ATOM 635 C LEU A 45 -0.161 21.417 -3.606 1.00 0.00 C ATOM 636 O LEU A 45 -0.299 20.206 -3.450 1.00 0.00 O ATOM 637 CB LEU A 45 -2.040 23.092 -3.782 1.00 0.00 C ATOM 638 CG LEU A 45 -3.074 22.171 -4.447 1.00 0.00 C ATOM 639 CD1 LEU A 45 -4.046 22.987 -5.284 1.00 0.00 C ATOM 640 CD2 LEU A 45 -2.395 21.122 -5.313 1.00 0.00 C ATOM 0 H LEU A 45 -0.153 23.338 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.586 21.869 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.575 23.855 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.485 23.607 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.625 21.659 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.773 22.321 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.565 23.702 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.498 23.524 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.151 20.484 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.814 21.614 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.733 20.514 -4.696 1.00 0.00 H new ATOM 652 N ILE A 46 0.724 21.942 -4.441 1.00 0.00 N ATOM 653 CA ILE A 46 1.619 21.114 -5.248 1.00 0.00 C ATOM 654 C ILE A 46 2.236 19.988 -4.417 1.00 0.00 C ATOM 655 O ILE A 46 2.222 18.834 -4.833 1.00 0.00 O ATOM 656 CB ILE A 46 2.764 21.930 -5.875 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.259 23.285 -6.393 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.422 21.139 -6.998 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.323 24.128 -7.058 1.00 0.00 C ATOM 0 H ILE A 46 0.844 22.945 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 46 1.001 20.698 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 46 3.507 22.124 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.451 23.112 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.835 23.845 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.230 21.728 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.825 20.208 -6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.682 20.915 -7.767 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.885 25.067 -7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.121 24.335 -6.345 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.731 23.590 -7.914 1.00 0.00 H new ATOM 671 N PRO A 47 2.817 20.297 -3.240 1.00 0.00 N ATOM 672 CA PRO A 47 3.432 19.272 -2.402 1.00 0.00 C ATOM 673 C PRO A 47 2.389 18.397 -1.726 1.00 0.00 C ATOM 674 O PRO A 47 2.667 17.249 -1.377 1.00 0.00 O ATOM 675 CB PRO A 47 4.226 20.072 -1.372 1.00 0.00 C ATOM 676 CG PRO A 47 3.515 21.377 -1.280 1.00 0.00 C ATOM 677 CD PRO A 47 2.945 21.644 -2.648 1.00 0.00 C ATOM 0 HA PRO A 47 4.052 18.585 -2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.249 19.564 -0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.261 20.206 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.725 21.337 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.198 22.172 -0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.981 22.149 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.603 22.281 -3.239 1.00 0.00 H new ATOM 685 N LEU A 48 1.179 18.928 -1.568 1.00 0.00 N ATOM 686 CA LEU A 48 0.098 18.160 -0.966 1.00 0.00 C ATOM 687 C LEU A 48 -0.245 17.021 -1.892 1.00 0.00 C ATOM 688 O LEU A 48 -0.565 15.909 -1.469 1.00 0.00 O ATOM 689 CB LEU A 48 -1.144 19.057 -0.729 1.00 0.00 C ATOM 690 CG LEU A 48 -2.493 18.577 -1.329 1.00 0.00 C ATOM 691 CD1 LEU A 48 -2.498 18.678 -2.844 1.00 0.00 C ATOM 692 CD2 LEU A 48 -2.832 17.158 -0.890 1.00 0.00 C ATOM 0 H LEU A 48 0.926 19.876 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 48 0.415 17.772 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.276 19.174 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.928 20.046 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.264 19.243 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.458 18.333 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.340 19.715 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.700 18.058 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.783 16.858 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.048 16.477 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.908 17.122 0.197 1.00 0.00 H new ATOM 704 N LEU A 49 -0.181 17.331 -3.167 1.00 0.00 N ATOM 705 CA LEU A 49 -0.491 16.395 -4.203 1.00 0.00 C ATOM 706 C LEU A 49 0.218 15.062 -3.993 1.00 0.00 C ATOM 707 O LEU A 49 -0.396 14.056 -3.636 1.00 0.00 O ATOM 708 CB LEU A 49 -0.079 17.004 -5.548 1.00 0.00 C ATOM 709 CG LEU A 49 -1.003 18.101 -6.074 1.00 0.00 C ATOM 710 CD1 LEU A 49 -0.536 18.586 -7.439 1.00 0.00 C ATOM 711 CD2 LEU A 49 -2.440 17.604 -6.144 1.00 0.00 C ATOM 0 H LEU A 49 0.092 18.252 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.562 16.195 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.927 17.413 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.028 16.207 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.965 18.942 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.207 19.367 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.475 18.985 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.541 17.753 -8.142 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.082 18.400 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.496 16.745 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.772 17.310 -5.148 1.00 0.00 H new ATOM 723 N ARG A 50 1.513 15.077 -4.243 1.00 0.00 N ATOM 724 CA ARG A 50 2.347 13.892 -4.149 1.00 0.00 C ATOM 725 C ARG A 50 2.665 13.461 -2.717 1.00 0.00 C ATOM 726 O ARG A 50 2.792 12.266 -2.442 1.00 0.00 O ATOM 727 CB ARG A 50 3.638 14.158 -4.916 1.00 0.00 C ATOM 728 CG ARG A 50 3.414 14.301 -6.412 1.00 0.00 C ATOM 729 CD ARG A 50 4.705 14.594 -7.157 1.00 0.00 C ATOM 730 NE ARG A 50 4.492 14.651 -8.602 1.00 0.00 N ATOM 731 CZ ARG A 50 3.758 15.582 -9.208 1.00 0.00 C ATOM 732 NH1 ARG A 50 3.234 16.584 -8.512 1.00 0.00 N ATOM 733 NH2 ARG A 50 3.561 15.521 -10.518 1.00 0.00 N ATOM 0 H ARG A 50 2.021 15.917 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 50 1.785 13.063 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.102 15.067 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.338 13.343 -4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.971 13.384 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.699 15.103 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.118 15.542 -6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.441 13.824 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 50 4.932 13.935 -9.180 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.393 16.644 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.673 17.294 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.972 14.761 -11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.999 16.234 -10.983 1.00 0.00 H new ATOM 747 N THR A 51 2.826 14.415 -1.811 1.00 0.00 N ATOM 748 CA THR A 51 3.169 14.079 -0.434 1.00 0.00 C ATOM 749 C THR A 51 2.050 13.334 0.268 1.00 0.00 C ATOM 750 O THR A 51 2.303 12.507 1.141 1.00 0.00 O ATOM 751 CB THR A 51 3.535 15.334 0.363 1.00 0.00 C ATOM 752 OG1 THR A 51 4.606 16.028 -0.254 1.00 0.00 O ATOM 753 CG2 THR A 51 3.946 15.039 1.791 1.00 0.00 C ATOM 0 H THR A 51 2.727 15.413 -1.998 1.00 0.00 H new ATOM 0 HA THR A 51 4.035 13.419 -0.480 1.00 0.00 H new ATOM 0 HB THR A 51 2.628 15.938 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.253 16.783 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.192 15.972 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.124 14.548 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.818 14.385 1.791 1.00 0.00 H new ATOM 761 N GLN A 52 0.817 13.628 -0.096 1.00 0.00 N ATOM 762 CA GLN A 52 -0.320 12.968 0.534 1.00 0.00 C ATOM 763 C GLN A 52 -0.823 11.828 -0.322 1.00 0.00 C ATOM 764 O GLN A 52 -1.216 10.786 0.187 1.00 0.00 O ATOM 765 CB GLN A 52 -1.419 13.979 0.813 1.00 0.00 C ATOM 766 CG GLN A 52 -0.889 15.164 1.584 1.00 0.00 C ATOM 767 CD GLN A 52 -1.962 16.152 1.985 1.00 0.00 C ATOM 768 OE1 GLN A 52 -1.697 17.429 1.742 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 -2.999 15.778 2.532 1.00 0.00 N flip ATOM 0 H GLN A 52 0.574 14.310 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 52 0.002 12.543 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.852 14.318 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.220 13.503 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.382 14.807 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.142 15.677 0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.158 14.784 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.699 16.462 2.820 1.00 0.00 H new ATOM 778 N PHE A 53 -0.782 12.013 -1.626 1.00 0.00 N ATOM 779 CA PHE A 53 -1.227 10.972 -2.536 1.00 0.00 C ATOM 780 C PHE A 53 -0.371 9.723 -2.372 1.00 0.00 C ATOM 781 O PHE A 53 -0.889 8.605 -2.298 1.00 0.00 O ATOM 782 CB PHE A 53 -1.129 11.455 -3.982 1.00 0.00 C ATOM 783 CG PHE A 53 -1.618 10.451 -4.986 1.00 0.00 C ATOM 784 CD1 PHE A 53 -2.957 10.096 -5.037 1.00 0.00 C ATOM 785 CD2 PHE A 53 -0.736 9.850 -5.868 1.00 0.00 C ATOM 786 CE1 PHE A 53 -3.404 9.159 -5.950 1.00 0.00 C ATOM 787 CE2 PHE A 53 -1.178 8.916 -6.785 1.00 0.00 C ATOM 788 CZ PHE A 53 -2.514 8.570 -6.825 1.00 0.00 C ATOM 0 H PHE A 53 -0.449 12.865 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.264 10.735 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.706 12.374 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.091 11.702 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.658 10.556 -4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.311 10.115 -5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.449 8.888 -5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.480 8.457 -7.469 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.862 7.839 -7.540 1.00 0.00 H new ATOM 798 N PHE A 54 0.948 9.919 -2.327 1.00 0.00 N ATOM 799 CA PHE A 54 1.874 8.802 -2.200 1.00 0.00 C ATOM 800 C PHE A 54 1.911 8.255 -0.783 1.00 0.00 C ATOM 801 O PHE A 54 1.915 7.039 -0.576 1.00 0.00 O ATOM 802 CB PHE A 54 3.272 9.235 -2.640 1.00 0.00 C ATOM 803 CG PHE A 54 3.344 9.544 -4.105 1.00 0.00 C ATOM 804 CD1 PHE A 54 2.610 10.589 -4.645 1.00 0.00 C ATOM 805 CD2 PHE A 54 4.123 8.771 -4.946 1.00 0.00 C ATOM 806 CE1 PHE A 54 2.656 10.852 -6.001 1.00 0.00 C ATOM 807 CE2 PHE A 54 4.177 9.033 -6.300 1.00 0.00 C ATOM 808 CZ PHE A 54 3.441 10.074 -6.828 1.00 0.00 C ATOM 0 H PHE A 54 1.393 10.836 -2.377 1.00 0.00 H new ATOM 0 HA PHE A 54 1.521 8.000 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.572 10.115 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.985 8.445 -2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.997 11.202 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.697 7.952 -4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.078 11.666 -6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.794 8.425 -6.945 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.479 10.280 -7.888 1.00 0.00 H new ATOM 818 N ILE A 55 1.927 9.149 0.190 1.00 0.00 N ATOM 819 CA ILE A 55 1.964 8.733 1.588 1.00 0.00 C ATOM 820 C ILE A 55 0.647 8.087 2.000 1.00 0.00 C ATOM 821 O ILE A 55 0.632 7.029 2.626 1.00 0.00 O ATOM 822 CB ILE A 55 2.284 9.916 2.525 1.00 0.00 C ATOM 823 CG1 ILE A 55 3.667 10.485 2.195 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.225 9.480 3.984 1.00 0.00 C ATOM 825 CD1 ILE A 55 4.790 9.492 2.392 1.00 0.00 C ATOM 0 H ILE A 55 1.915 10.158 0.044 1.00 0.00 H new ATOM 0 HA ILE A 55 2.763 7.998 1.682 1.00 0.00 H new ATOM 0 HB ILE A 55 1.535 10.693 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.673 10.828 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.851 11.358 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.454 10.330 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.226 9.110 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.953 8.688 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.740 9.963 2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.811 9.168 3.432 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.630 8.629 1.746 1.00 0.00 H new ATOM 837 N VAL A 56 -0.457 8.727 1.637 1.00 0.00 N ATOM 838 CA VAL A 56 -1.779 8.211 1.970 1.00 0.00 C ATOM 839 C VAL A 56 -2.079 6.910 1.230 1.00 0.00 C ATOM 840 O VAL A 56 -2.624 5.979 1.818 1.00 0.00 O ATOM 841 CB VAL A 56 -2.890 9.236 1.662 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.261 8.656 1.978 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.659 10.520 2.446 1.00 0.00 C ATOM 0 H VAL A 56 -0.464 9.602 1.113 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.767 8.016 3.042 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.857 9.469 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.030 9.396 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.427 7.765 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.310 8.392 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.451 11.233 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.665 10.300 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.695 10.947 2.169 1.00 0.00 H new ATOM 853 N MET A 57 -1.732 6.836 -0.055 1.00 0.00 N ATOM 854 CA MET A 57 -1.991 5.631 -0.817 1.00 0.00 C ATOM 855 C MET A 57 -1.128 4.492 -0.306 1.00 0.00 C ATOM 856 O MET A 57 -1.573 3.353 -0.191 1.00 0.00 O ATOM 857 CB MET A 57 -1.724 5.872 -2.303 1.00 0.00 C ATOM 858 CG MET A 57 -0.247 5.945 -2.665 1.00 0.00 C ATOM 859 SD MET A 57 0.020 6.256 -4.421 1.00 0.00 S ATOM 860 CE MET A 57 1.807 6.178 -4.513 1.00 0.00 C ATOM 0 H MET A 57 -1.279 7.586 -0.576 1.00 0.00 H new ATOM 0 HA MET A 57 -3.039 5.360 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.189 5.072 -2.879 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.207 6.802 -2.602 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.228 6.735 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.238 5.009 -2.387 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.177 7.009 -5.113 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.226 6.240 -3.509 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.107 5.237 -4.973 1.00 0.00 H new ATOM 870 N GLY A 58 0.114 4.824 -0.005 1.00 0.00 N ATOM 871 CA GLY A 58 1.051 3.836 0.484 1.00 0.00 C ATOM 872 C GLY A 58 0.721 3.319 1.872 1.00 0.00 C ATOM 873 O GLY A 58 0.776 2.114 2.110 1.00 0.00 O ATOM 0 H GLY A 58 0.494 5.767 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.076 2.996 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.051 4.270 0.495 1.00 0.00 H new ATOM 877 N LEU A 59 0.387 4.218 2.800 1.00 0.00 N ATOM 878 CA LEU A 59 0.065 3.800 4.158 1.00 0.00 C ATOM 879 C LEU A 59 -1.215 2.968 4.176 1.00 0.00 C ATOM 880 O LEU A 59 -1.413 2.138 5.062 1.00 0.00 O ATOM 881 CB LEU A 59 -0.024 5.009 5.099 1.00 0.00 C ATOM 882 CG LEU A 59 -1.070 6.072 4.754 1.00 0.00 C ATOM 883 CD1 LEU A 59 -2.441 5.672 5.279 1.00 0.00 C ATOM 884 CD2 LEU A 59 -0.654 7.420 5.324 1.00 0.00 C ATOM 0 H LEU A 59 0.334 5.223 2.637 1.00 0.00 H new ATOM 0 HA LEU A 59 0.872 3.167 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.230 4.643 6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.954 5.490 5.128 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.134 6.154 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.168 6.442 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.741 4.726 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.398 5.561 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.405 8.169 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.565 7.345 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.307 7.713 4.900 1.00 0.00 H new ATOM 896 N VAL A 60 -2.058 3.157 3.163 1.00 0.00 N ATOM 897 CA VAL A 60 -3.292 2.387 3.042 1.00 0.00 C ATOM 898 C VAL A 60 -2.994 1.050 2.376 1.00 0.00 C ATOM 899 O VAL A 60 -3.326 -0.014 2.897 1.00 0.00 O ATOM 900 CB VAL A 60 -4.357 3.129 2.204 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.605 2.273 2.038 1.00 0.00 C ATOM 902 CG2 VAL A 60 -4.707 4.466 2.834 1.00 0.00 C ATOM 0 H VAL A 60 -1.909 3.835 2.416 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.686 2.241 4.048 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.937 3.318 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.342 2.815 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.344 1.344 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.024 2.047 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.459 4.969 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.101 4.303 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.813 5.086 2.892 1.00 0.00 H new ATOM 912 N ASP A 61 -2.356 1.127 1.213 1.00 0.00 N ATOM 913 CA ASP A 61 -1.992 -0.049 0.446 1.00 0.00 C ATOM 914 C ASP A 61 -1.009 -0.934 1.199 1.00 0.00 C ATOM 915 O ASP A 61 -0.872 -2.119 0.894 1.00 0.00 O ATOM 916 CB ASP A 61 -1.382 0.382 -0.888 1.00 0.00 C ATOM 917 CG ASP A 61 -2.397 1.037 -1.806 1.00 0.00 C ATOM 918 OD1 ASP A 61 -3.427 0.397 -2.103 1.00 0.00 O ATOM 919 OD2 ASP A 61 -2.159 2.185 -2.235 1.00 0.00 O ATOM 0 H ASP A 61 -2.079 2.008 0.780 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.897 -0.632 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.563 1.077 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.954 -0.488 -1.386 1.00 0.00 H new ATOM 924 N ALA A 62 -0.323 -0.364 2.184 1.00 0.00 N ATOM 925 CA ALA A 62 0.636 -1.129 2.967 1.00 0.00 C ATOM 926 C ALA A 62 -0.033 -2.363 3.559 1.00 0.00 C ATOM 927 O ALA A 62 0.575 -3.425 3.660 1.00 0.00 O ATOM 928 CB ALA A 62 1.234 -0.267 4.067 1.00 0.00 C ATOM 0 H ALA A 62 -0.413 0.615 2.456 1.00 0.00 H new ATOM 0 HA ALA A 62 1.443 -1.453 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.949 -0.855 4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.743 0.589 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.440 0.085 4.726 1.00 0.00 H new ATOM 934 N ILE A 63 -1.300 -2.213 3.929 1.00 0.00 N ATOM 935 CA ILE A 63 -2.066 -3.311 4.500 1.00 0.00 C ATOM 936 C ILE A 63 -2.128 -4.493 3.533 1.00 0.00 C ATOM 937 O ILE A 63 -1.569 -5.553 3.815 1.00 0.00 O ATOM 938 CB ILE A 63 -3.486 -2.853 4.900 1.00 0.00 C ATOM 939 CG1 ILE A 63 -3.393 -1.849 6.049 1.00 0.00 C ATOM 940 CG2 ILE A 63 -4.353 -4.040 5.304 1.00 0.00 C ATOM 941 CD1 ILE A 63 -4.738 -1.340 6.524 1.00 0.00 C ATOM 0 H ILE A 63 -1.818 -1.339 3.843 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.554 -3.639 5.405 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.954 -2.377 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.875 -2.316 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.786 -1.002 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.347 -3.687 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.434 -4.733 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.899 -4.549 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.592 -0.632 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.251 -0.843 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.341 -2.178 6.874 1.00 0.00 H new ATOM 953 N PRO A 64 -2.802 -4.348 2.377 1.00 0.00 N ATOM 954 CA PRO A 64 -2.887 -5.435 1.408 1.00 0.00 C ATOM 955 C PRO A 64 -1.505 -5.855 0.935 1.00 0.00 C ATOM 956 O PRO A 64 -1.303 -6.986 0.497 1.00 0.00 O ATOM 957 CB PRO A 64 -3.712 -4.855 0.254 1.00 0.00 C ATOM 958 CG PRO A 64 -3.680 -3.376 0.449 1.00 0.00 C ATOM 959 CD PRO A 64 -3.522 -3.147 1.925 1.00 0.00 C ATOM 0 HA PRO A 64 -3.341 -6.331 1.831 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.288 -5.133 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.735 -5.232 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.854 -2.929 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.597 -2.916 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.958 -2.238 2.133 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.487 -3.045 2.422 1.00 0.00 H new ATOM 967 N MET A 65 -0.550 -4.942 1.060 1.00 0.00 N ATOM 968 CA MET A 65 0.825 -5.229 0.678 1.00 0.00 C ATOM 969 C MET A 65 1.429 -6.171 1.714 1.00 0.00 C ATOM 970 O MET A 65 2.252 -7.024 1.398 1.00 0.00 O ATOM 971 CB MET A 65 1.636 -3.933 0.607 1.00 0.00 C ATOM 972 CG MET A 65 2.755 -3.938 -0.422 1.00 0.00 C ATOM 973 SD MET A 65 3.861 -5.356 -0.282 1.00 0.00 S ATOM 974 CE MET A 65 2.994 -6.567 -1.277 1.00 0.00 C ATOM 0 H MET A 65 -0.702 -4.000 1.422 1.00 0.00 H new ATOM 0 HA MET A 65 0.845 -5.697 -0.306 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.959 -3.109 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.065 -3.735 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.319 -3.926 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.337 -3.022 -0.317 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.716 -7.228 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.332 -7.154 -0.641 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.406 -6.057 -2.040 1.00 0.00 H new ATOM 984 N ILE A 66 0.975 -6.022 2.957 1.00 0.00 N ATOM 985 CA ILE A 66 1.437 -6.867 4.051 1.00 0.00 C ATOM 986 C ILE A 66 0.806 -8.248 3.936 1.00 0.00 C ATOM 987 O ILE A 66 1.488 -9.266 4.045 1.00 0.00 O ATOM 988 CB ILE A 66 1.104 -6.233 5.428 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.003 -5.021 5.678 1.00 0.00 C ATOM 990 CG2 ILE A 66 1.249 -7.234 6.568 1.00 0.00 C ATOM 991 CD1 ILE A 66 1.650 -4.257 6.934 1.00 0.00 C ATOM 0 H ILE A 66 0.286 -5.321 3.230 1.00 0.00 H new ATOM 0 HA ILE A 66 2.521 -6.960 3.981 1.00 0.00 H new ATOM 0 HB ILE A 66 0.062 -5.916 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.039 -5.354 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.939 -4.348 4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.006 -6.747 7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.570 -8.071 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.275 -7.601 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.328 -3.411 7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.625 -3.893 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.742 -4.915 7.798 1.00 0.00 H new ATOM 1003 N ALA A 67 -0.502 -8.273 3.703 1.00 0.00 N ATOM 1004 CA ALA A 67 -1.224 -9.523 3.559 1.00 0.00 C ATOM 1005 C ALA A 67 -0.800 -10.234 2.283 1.00 0.00 C ATOM 1006 O ALA A 67 -0.333 -11.372 2.317 1.00 0.00 O ATOM 1007 CB ALA A 67 -2.724 -9.274 3.565 1.00 0.00 C ATOM 0 H ALA A 67 -1.081 -7.438 3.610 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.982 -10.165 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.251 -10.222 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.011 -8.805 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.987 -8.616 2.737 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.953 -9.547 1.157 1.00 0.00 N ATOM 1014 CA VAL A 68 -0.574 -10.108 -0.130 1.00 0.00 C ATOM 1015 C VAL A 68 0.930 -10.338 -0.186 1.00 0.00 C ATOM 1016 O VAL A 68 1.396 -11.301 -0.792 1.00 0.00 O ATOM 1017 CB VAL A 68 -1.002 -9.191 -1.296 1.00 0.00 C ATOM 1018 CG1 VAL A 68 -0.597 -9.794 -2.634 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -2.502 -8.941 -1.254 1.00 0.00 C ATOM 0 H VAL A 68 -1.336 -8.603 1.111 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.092 -11.061 -0.237 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.490 -8.235 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.909 -9.131 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.485 -9.919 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.078 -10.765 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.786 -8.293 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.032 -9.890 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.765 -8.461 -0.311 1.00 0.00 H new ATOM 1029 N GLY A 69 1.686 -9.455 0.463 1.00 0.00 N ATOM 1030 CA GLY A 69 3.131 -9.595 0.481 1.00 0.00 C ATOM 1031 C GLY A 69 3.563 -10.821 1.258 1.00 0.00 C ATOM 1032 O GLY A 69 4.339 -11.638 0.763 1.00 0.00 O ATOM 0 H GLY A 69 1.325 -8.649 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.503 -9.662 -0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.578 -8.706 0.926 1.00 0.00 H new ATOM 1036 N LEU A 70 3.044 -10.956 2.476 1.00 0.00 N ATOM 1037 CA LEU A 70 3.364 -12.104 3.314 1.00 0.00 C ATOM 1038 C LEU A 70 2.935 -13.379 2.621 1.00 0.00 C ATOM 1039 O LEU A 70 3.653 -14.379 2.612 1.00 0.00 O ATOM 1040 CB LEU A 70 2.644 -12.003 4.656 1.00 0.00 C ATOM 1041 CG LEU A 70 2.928 -13.150 5.630 1.00 0.00 C ATOM 1042 CD1 LEU A 70 4.407 -13.203 5.988 1.00 0.00 C ATOM 1043 CD2 LEU A 70 2.074 -13.009 6.881 1.00 0.00 C ATOM 0 H LEU A 70 2.403 -10.287 2.902 1.00 0.00 H new ATOM 0 HA LEU A 70 4.441 -12.117 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.925 -11.064 5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.570 -11.959 4.473 1.00 0.00 H new ATOM 0 HG LEU A 70 2.667 -14.088 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.584 -14.026 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.995 -13.357 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.702 -12.264 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.288 -13.832 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.301 -12.063 7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.019 -13.031 6.606 1.00 0.00 H new ATOM 1055 N GLY A 71 1.746 -13.327 2.044 1.00 0.00 N ATOM 1056 CA GLY A 71 1.210 -14.476 1.350 1.00 0.00 C ATOM 1057 C GLY A 71 2.080 -14.911 0.189 1.00 0.00 C ATOM 1058 O GLY A 71 2.563 -16.037 0.159 1.00 0.00 O ATOM 0 H GLY A 71 1.141 -12.506 2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.105 -15.304 2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.211 -14.241 0.983 1.00 0.00 H new ATOM 1062 N LEU A 72 2.282 -14.012 -0.764 1.00 0.00 N ATOM 1063 CA LEU A 72 3.092 -14.303 -1.940 1.00 0.00 C ATOM 1064 C LEU A 72 4.520 -14.642 -1.546 1.00 0.00 C ATOM 1065 O LEU A 72 5.210 -15.391 -2.238 1.00 0.00 O ATOM 1066 CB LEU A 72 3.075 -13.117 -2.910 1.00 0.00 C ATOM 1067 CG LEU A 72 3.660 -11.811 -2.370 1.00 0.00 C ATOM 1068 CD1 LEU A 72 5.178 -11.796 -2.500 1.00 0.00 C ATOM 1069 CD2 LEU A 72 3.049 -10.617 -3.090 1.00 0.00 C ATOM 0 H LEU A 72 1.894 -13.069 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 72 2.661 -15.170 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.627 -13.397 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.044 -12.934 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 72 3.413 -11.742 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.567 -10.856 -2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.600 -12.627 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.454 -11.894 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.476 -9.696 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.263 -10.687 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.970 -10.612 -2.936 1.00 0.00 H new ATOM 1081 N TYR A 73 4.946 -14.101 -0.415 1.00 0.00 N ATOM 1082 CA TYR A 73 6.286 -14.339 0.094 1.00 0.00 C ATOM 1083 C TYR A 73 6.509 -15.827 0.307 1.00 0.00 C ATOM 1084 O TYR A 73 7.545 -16.376 -0.066 1.00 0.00 O ATOM 1085 CB TYR A 73 6.482 -13.583 1.410 1.00 0.00 C ATOM 1086 CG TYR A 73 7.857 -13.749 2.007 1.00 0.00 C ATOM 1087 CD1 TYR A 73 8.949 -13.060 1.493 1.00 0.00 C ATOM 1088 CD2 TYR A 73 8.065 -14.614 3.071 1.00 0.00 C ATOM 1089 CE1 TYR A 73 10.214 -13.231 2.028 1.00 0.00 C ATOM 1090 CE2 TYR A 73 9.325 -14.788 3.614 1.00 0.00 C ATOM 1091 CZ TYR A 73 10.395 -14.094 3.088 1.00 0.00 C ATOM 1092 OH TYR A 73 11.651 -14.266 3.624 1.00 0.00 O ATOM 0 H TYR A 73 4.377 -13.490 0.171 1.00 0.00 H new ATOM 0 HA TYR A 73 7.012 -13.979 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.295 -12.523 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.739 -13.927 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.809 -12.382 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.229 -15.161 3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.055 -12.691 1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.470 -15.463 4.445 1.00 0.00 H new ATOM 0 HH TYR A 73 11.606 -14.906 4.364 1.00 0.00 H new ATOM 1102 N VAL A 74 5.522 -16.475 0.906 1.00 0.00 N ATOM 1103 CA VAL A 74 5.592 -17.903 1.172 1.00 0.00 C ATOM 1104 C VAL A 74 5.003 -18.703 0.015 1.00 0.00 C ATOM 1105 O VAL A 74 5.440 -19.815 -0.272 1.00 0.00 O ATOM 1106 CB VAL A 74 4.852 -18.269 2.474 1.00 0.00 C ATOM 1107 CG1 VAL A 74 5.043 -19.741 2.809 1.00 0.00 C ATOM 1108 CG2 VAL A 74 5.326 -17.388 3.621 1.00 0.00 C ATOM 0 H VAL A 74 4.658 -16.031 1.219 1.00 0.00 H new ATOM 0 HA VAL A 74 6.646 -18.157 1.284 1.00 0.00 H new ATOM 0 HB VAL A 74 3.787 -18.093 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.512 -19.976 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.649 -20.353 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.105 -19.950 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.794 -17.660 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.396 -17.530 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.128 -16.343 3.383 1.00 0.00 H new ATOM 1118 N MET A 75 3.998 -18.142 -0.648 1.00 0.00 N ATOM 1119 CA MET A 75 3.366 -18.830 -1.755 1.00 0.00 C ATOM 1120 C MET A 75 4.089 -18.569 -3.069 1.00 0.00 C ATOM 1121 O MET A 75 4.717 -19.461 -3.629 1.00 0.00 O ATOM 1122 CB MET A 75 1.903 -18.412 -1.856 1.00 0.00 C ATOM 1123 CG MET A 75 0.946 -19.440 -1.280 1.00 0.00 C ATOM 1124 SD MET A 75 1.399 -19.997 0.377 1.00 0.00 S ATOM 1125 CE MET A 75 1.078 -18.525 1.342 1.00 0.00 C ATOM 0 H MET A 75 3.610 -17.222 -0.437 1.00 0.00 H new ATOM 0 HA MET A 75 3.422 -19.901 -1.563 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.766 -17.465 -1.334 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.653 -18.239 -2.903 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.057 -19.014 -1.250 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.907 -20.302 -1.946 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.705 -18.530 2.233 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.304 -17.642 0.744 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.029 -18.505 1.637 1.00 0.00 H new ATOM 1135 N PHE A 76 3.997 -17.349 -3.565 1.00 0.00 N ATOM 1136 CA PHE A 76 4.643 -17.000 -4.823 1.00 0.00 C ATOM 1137 C PHE A 76 6.150 -17.236 -4.772 1.00 0.00 C ATOM 1138 O PHE A 76 6.777 -17.478 -5.804 1.00 0.00 O ATOM 1139 CB PHE A 76 4.361 -15.540 -5.189 1.00 0.00 C ATOM 1140 CG PHE A 76 2.975 -15.294 -5.727 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.852 -15.569 -4.964 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.799 -14.785 -7.004 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.585 -15.343 -5.462 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.533 -14.557 -7.506 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.425 -14.837 -6.734 1.00 0.00 C ATOM 0 H PHE A 76 3.486 -16.586 -3.122 1.00 0.00 H new ATOM 0 HA PHE A 76 4.224 -17.652 -5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.511 -14.920 -4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.090 -15.216 -5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.970 -15.965 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.662 -14.564 -7.614 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.281 -15.563 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.411 -14.160 -8.503 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.566 -14.660 -7.125 1.00 0.00 H new ATOM 1155 N ALA A 77 6.736 -17.161 -3.580 1.00 0.00 N ATOM 1156 CA ALA A 77 8.168 -17.361 -3.433 1.00 0.00 C ATOM 1157 C ALA A 77 8.496 -18.773 -2.979 1.00 0.00 C ATOM 1158 O ALA A 77 9.181 -19.521 -3.678 1.00 0.00 O ATOM 1159 CB ALA A 77 8.746 -16.341 -2.463 1.00 0.00 C ATOM 0 H ALA A 77 6.242 -16.964 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 77 8.625 -17.218 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.819 -16.502 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.564 -15.335 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.269 -16.454 -1.489 1.00 0.00 H new ATOM 1165 N VAL A 78 8.019 -19.122 -1.799 1.00 0.00 N ATOM 1166 CA VAL A 78 8.273 -20.438 -1.233 1.00 0.00 C ATOM 1167 C VAL A 78 7.291 -21.490 -1.754 1.00 0.00 C ATOM 1168 O VAL A 78 7.356 -22.652 -1.350 1.00 0.00 O ATOM 1169 CB VAL A 78 8.223 -20.409 0.310 1.00 0.00 C ATOM 1170 CG1 VAL A 78 8.668 -21.743 0.889 1.00 0.00 C ATOM 1171 CG2 VAL A 78 9.076 -19.272 0.848 1.00 0.00 C ATOM 0 H VAL A 78 7.452 -18.512 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 78 9.277 -20.717 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 78 7.192 -20.237 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.625 -21.700 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.008 -22.533 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.690 -21.953 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.029 -19.266 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.109 -19.410 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.702 -18.323 0.464 1.00 0.00 H new ATOM 1181 N ALA A 79 6.384 -21.093 -2.652 1.00 0.00 N ATOM 1182 CA ALA A 79 5.414 -22.035 -3.208 1.00 0.00 C ATOM 1183 C ALA A 79 4.521 -22.615 -2.118 1.00 0.00 C ATOM 1184 O ALA A 79 3.383 -23.007 -2.377 1.00 0.00 O ATOM 1185 CB ALA A 79 6.129 -23.152 -3.954 1.00 0.00 C ATOM 0 H ALA A 79 6.303 -20.139 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 79 4.781 -21.491 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.394 -23.846 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.718 -22.728 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.788 -23.684 -3.268 1.00 0.00 H new TER 1191 ALA A 79