USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 69 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 GLN : amide:sc= -4.67! C(o=-7!,f=-13!) USER MOD Set 2.2: A 78 HIS : no HD1:sc= -1.11! C(o=-7!,f=-8.9!) USER MOD Set 2.3: A 84 GLN : amide:sc= -1.25 K(o=-7,f=-7.7!) USER MOD Set 3.1: A 73 SER OG : rot 130:sc= -1.08 USER MOD Set 3.2: A 86 SER OG : rot -152:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0952 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 49:sc= 0.737 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0624 K(o=-0.062,f=-1.6) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 60:sc= 0.168 USER MOD Single : A 41 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.4) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl -167:sc= 0 (180deg=-0.262) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.841 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.086) USER MOD Single : A 90 SER OG : rot 42:sc= 0.613 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.939 1.371 16.203 1.00 0.00 N ATOM 2 CA GLY A 1 -3.489 2.536 16.941 1.00 0.00 C ATOM 3 C GLY A 1 -4.444 3.707 16.816 1.00 0.00 C ATOM 4 O GLY A 1 -5.489 3.598 16.174 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.055 0.570 16.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.849 1.580 15.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.235 1.127 15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.376 2.274 17.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.505 2.834 16.579 1.00 0.00 H new ATOM 8 N SER A 2 -4.087 4.828 17.433 1.00 0.00 N ATOM 9 CA SER A 2 -4.923 6.022 17.393 1.00 0.00 C ATOM 10 C SER A 2 -4.165 7.235 17.924 1.00 0.00 C ATOM 11 O SER A 2 -3.242 7.100 18.728 1.00 0.00 O ATOM 12 CB SER A 2 -6.198 5.806 18.210 1.00 0.00 C ATOM 13 OG SER A 2 -7.259 6.610 17.724 1.00 0.00 O ATOM 0 H SER A 2 -3.224 4.935 17.967 1.00 0.00 H new ATOM 0 HA SER A 2 -5.193 6.211 16.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.486 4.755 18.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.007 6.044 19.257 1.00 0.00 H new ATOM 0 HG SER A 2 -8.062 6.452 18.262 1.00 0.00 H new ATOM 19 N SER A 3 -4.561 8.419 17.469 1.00 0.00 N ATOM 20 CA SER A 3 -3.917 9.656 17.895 1.00 0.00 C ATOM 21 C SER A 3 -4.956 10.697 18.303 1.00 0.00 C ATOM 22 O SER A 3 -4.827 11.346 19.340 1.00 0.00 O ATOM 23 CB SER A 3 -3.037 10.210 16.773 1.00 0.00 C ATOM 24 OG SER A 3 -1.996 9.306 16.447 1.00 0.00 O ATOM 0 H SER A 3 -5.325 8.548 16.805 1.00 0.00 H new ATOM 0 HA SER A 3 -3.293 9.433 18.760 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.646 10.401 15.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.611 11.165 17.079 1.00 0.00 H new ATOM 0 HG SER A 3 -1.449 9.683 15.726 1.00 0.00 H new ATOM 30 N GLY A 4 -5.988 10.849 17.478 1.00 0.00 N ATOM 31 CA GLY A 4 -7.034 11.812 17.769 1.00 0.00 C ATOM 32 C GLY A 4 -8.335 11.486 17.062 1.00 0.00 C ATOM 33 O GLY A 4 -8.715 10.320 16.954 1.00 0.00 O ATOM 0 H GLY A 4 -6.118 10.323 16.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.206 11.843 18.845 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.701 12.806 17.471 1.00 0.00 H new ATOM 37 N SER A 5 -9.019 12.518 16.579 1.00 0.00 N ATOM 38 CA SER A 5 -10.288 12.336 15.884 1.00 0.00 C ATOM 39 C SER A 5 -10.226 12.925 14.478 1.00 0.00 C ATOM 40 O SER A 5 -10.483 14.112 14.279 1.00 0.00 O ATOM 41 CB SER A 5 -11.425 12.988 16.673 1.00 0.00 C ATOM 42 OG SER A 5 -11.179 14.369 16.875 1.00 0.00 O ATOM 0 H SER A 5 -8.716 13.489 16.656 1.00 0.00 H new ATOM 0 HA SER A 5 -10.479 11.266 15.803 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.365 12.857 16.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.535 12.490 17.636 1.00 0.00 H new ATOM 0 HG SER A 5 -10.925 14.784 16.024 1.00 0.00 H new ATOM 48 N SER A 6 -9.883 12.086 13.506 1.00 0.00 N ATOM 49 CA SER A 6 -9.783 12.524 12.118 1.00 0.00 C ATOM 50 C SER A 6 -10.546 11.579 11.195 1.00 0.00 C ATOM 51 O SER A 6 -10.034 10.532 10.799 1.00 0.00 O ATOM 52 CB SER A 6 -8.316 12.600 11.690 1.00 0.00 C ATOM 53 OG SER A 6 -7.641 13.647 12.366 1.00 0.00 O ATOM 0 H SER A 6 -9.670 11.100 13.653 1.00 0.00 H new ATOM 0 HA SER A 6 -10.228 13.516 12.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.823 11.651 11.899 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.256 12.760 10.613 1.00 0.00 H new ATOM 0 HG SER A 6 -6.705 13.673 12.076 1.00 0.00 H new ATOM 59 N GLY A 7 -11.774 11.957 10.855 1.00 0.00 N ATOM 60 CA GLY A 7 -12.589 11.134 9.981 1.00 0.00 C ATOM 61 C GLY A 7 -12.790 11.760 8.615 1.00 0.00 C ATOM 62 O GLY A 7 -13.793 12.433 8.373 1.00 0.00 O ATOM 0 H GLY A 7 -12.219 12.819 11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.119 10.158 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.560 10.966 10.447 1.00 0.00 H new ATOM 66 N LEU A 8 -11.833 11.542 7.720 1.00 0.00 N ATOM 67 CA LEU A 8 -11.908 12.092 6.371 1.00 0.00 C ATOM 68 C LEU A 8 -11.351 11.105 5.349 1.00 0.00 C ATOM 69 O LEU A 8 -10.474 10.301 5.664 1.00 0.00 O ATOM 70 CB LEU A 8 -11.140 13.412 6.293 1.00 0.00 C ATOM 71 CG LEU A 8 -11.567 14.496 7.283 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.775 14.382 8.576 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.393 15.878 6.669 1.00 0.00 C ATOM 0 H LEU A 8 -10.996 10.988 7.904 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.957 12.275 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.081 13.203 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.242 13.810 5.283 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.622 14.353 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.093 15.162 9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.951 13.405 9.025 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.712 14.498 8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.702 16.637 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.346 16.031 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.007 15.957 5.772 1.00 0.00 H new ATOM 85 N GLU A 9 -11.864 11.175 4.125 1.00 0.00 N ATOM 86 CA GLU A 9 -11.416 10.289 3.057 1.00 0.00 C ATOM 87 C GLU A 9 -10.794 11.085 1.914 1.00 0.00 C ATOM 88 O GLU A 9 -11.449 11.362 0.909 1.00 0.00 O ATOM 89 CB GLU A 9 -12.586 9.453 2.534 1.00 0.00 C ATOM 90 CG GLU A 9 -13.801 10.280 2.148 1.00 0.00 C ATOM 91 CD GLU A 9 -15.055 9.441 2.000 1.00 0.00 C ATOM 92 OE1 GLU A 9 -15.353 8.653 2.922 1.00 0.00 O ATOM 93 OE2 GLU A 9 -15.738 9.572 0.963 1.00 0.00 O ATOM 0 H GLU A 9 -12.590 11.836 3.848 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.657 9.623 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.255 8.883 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.876 8.731 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.969 11.047 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.601 10.796 1.209 1.00 0.00 H new ATOM 100 N GLU A 10 -9.527 11.451 2.077 1.00 0.00 N ATOM 101 CA GLU A 10 -8.817 12.218 1.059 1.00 0.00 C ATOM 102 C GLU A 10 -7.936 11.307 0.209 1.00 0.00 C ATOM 103 O GLU A 10 -8.025 11.308 -1.019 1.00 0.00 O ATOM 104 CB GLU A 10 -7.963 13.307 1.712 1.00 0.00 C ATOM 105 CG GLU A 10 -7.095 14.072 0.727 1.00 0.00 C ATOM 106 CD GLU A 10 -7.882 15.090 -0.076 1.00 0.00 C ATOM 107 OE1 GLU A 10 -9.117 14.937 -0.179 1.00 0.00 O ATOM 108 OE2 GLU A 10 -7.263 16.038 -0.602 1.00 0.00 O ATOM 0 H GLU A 10 -8.971 11.229 2.903 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.558 12.687 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.617 14.009 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.324 12.851 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.298 14.580 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.618 13.368 0.046 1.00 0.00 H new ATOM 115 N VAL A 11 -7.084 10.531 0.871 1.00 0.00 N ATOM 116 CA VAL A 11 -6.186 9.614 0.178 1.00 0.00 C ATOM 117 C VAL A 11 -6.886 8.298 -0.144 1.00 0.00 C ATOM 118 O VAL A 11 -7.674 7.792 0.654 1.00 0.00 O ATOM 119 CB VAL A 11 -4.927 9.323 1.014 1.00 0.00 C ATOM 120 CG1 VAL A 11 -3.999 8.375 0.270 1.00 0.00 C ATOM 121 CG2 VAL A 11 -4.209 10.617 1.366 1.00 0.00 C ATOM 0 H VAL A 11 -6.996 10.519 1.887 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.891 10.101 -0.751 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.233 8.840 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.114 8.181 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.518 7.437 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.699 8.827 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.321 10.391 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.915 11.130 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.876 11.258 1.943 1.00 0.00 H new ATOM 131 N GLN A 12 -6.591 7.750 -1.318 1.00 0.00 N ATOM 132 CA GLN A 12 -7.192 6.492 -1.745 1.00 0.00 C ATOM 133 C GLN A 12 -6.118 5.459 -2.072 1.00 0.00 C ATOM 134 O GLN A 12 -5.175 5.741 -2.813 1.00 0.00 O ATOM 135 CB GLN A 12 -8.087 6.718 -2.965 1.00 0.00 C ATOM 136 CG GLN A 12 -8.769 5.454 -3.462 1.00 0.00 C ATOM 137 CD GLN A 12 -9.707 4.854 -2.433 1.00 0.00 C ATOM 138 OE1 GLN A 12 -9.326 3.964 -1.673 1.00 0.00 O ATOM 139 NE2 GLN A 12 -10.943 5.340 -2.404 1.00 0.00 N ATOM 0 H GLN A 12 -5.940 8.157 -1.990 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.799 6.111 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.848 7.457 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.487 7.139 -3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.328 5.680 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.011 4.718 -3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.216 6.078 -3.053 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.619 4.975 -1.733 1.00 0.00 H new ATOM 148 N LEU A 13 -6.267 4.262 -1.515 1.00 0.00 N ATOM 149 CA LEU A 13 -5.310 3.186 -1.747 1.00 0.00 C ATOM 150 C LEU A 13 -5.993 1.975 -2.373 1.00 0.00 C ATOM 151 O LEU A 13 -7.160 1.695 -2.096 1.00 0.00 O ATOM 152 CB LEU A 13 -4.637 2.784 -0.433 1.00 0.00 C ATOM 153 CG LEU A 13 -3.831 1.485 -0.462 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.415 1.746 -0.953 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.809 0.840 0.916 1.00 0.00 C ATOM 0 H LEU A 13 -7.041 4.012 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.552 3.550 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.974 3.593 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.407 2.694 0.333 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.313 0.796 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.856 0.810 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.450 2.163 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.923 2.452 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.231 -0.083 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.352 1.524 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.829 0.616 1.229 1.00 0.00 H new ATOM 167 N VAL A 14 -5.259 1.257 -3.217 1.00 0.00 N ATOM 168 CA VAL A 14 -5.792 0.074 -3.880 1.00 0.00 C ATOM 169 C VAL A 14 -4.755 -1.042 -3.933 1.00 0.00 C ATOM 170 O VAL A 14 -3.811 -0.990 -4.721 1.00 0.00 O ATOM 171 CB VAL A 14 -6.258 0.395 -5.313 1.00 0.00 C ATOM 172 CG1 VAL A 14 -6.809 -0.852 -5.987 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.296 1.506 -5.298 1.00 0.00 C ATOM 0 H VAL A 14 -4.292 1.475 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.648 -0.258 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.399 0.740 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.133 -0.606 -6.998 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.032 -1.615 -6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.657 -1.230 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.614 1.720 -6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.157 1.192 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.862 2.404 -4.857 1.00 0.00 H new ATOM 183 N VAL A 15 -4.936 -2.051 -3.087 1.00 0.00 N ATOM 184 CA VAL A 15 -4.016 -3.182 -3.038 1.00 0.00 C ATOM 185 C VAL A 15 -4.483 -4.311 -3.949 1.00 0.00 C ATOM 186 O VAL A 15 -5.664 -4.401 -4.286 1.00 0.00 O ATOM 187 CB VAL A 15 -3.868 -3.722 -1.603 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.082 -2.745 -0.742 1.00 0.00 C ATOM 189 CG2 VAL A 15 -5.234 -4.002 -0.996 1.00 0.00 C ATOM 0 H VAL A 15 -5.711 -2.109 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.048 -2.818 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.314 -4.660 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.988 -3.144 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.090 -2.601 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.604 -1.789 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.111 -4.383 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.816 -3.081 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.756 -4.743 -1.601 1.00 0.00 H new ATOM 199 N GLU A 16 -3.549 -5.170 -4.345 1.00 0.00 N ATOM 200 CA GLU A 16 -3.867 -6.294 -5.218 1.00 0.00 C ATOM 201 C GLU A 16 -3.384 -7.608 -4.611 1.00 0.00 C ATOM 202 O GLU A 16 -2.185 -7.862 -4.492 1.00 0.00 O ATOM 203 CB GLU A 16 -3.233 -6.093 -6.596 1.00 0.00 C ATOM 204 CG GLU A 16 -4.023 -6.727 -7.728 1.00 0.00 C ATOM 205 CD GLU A 16 -3.776 -8.218 -7.849 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.618 -8.645 -7.656 1.00 0.00 O ATOM 207 OE2 GLU A 16 -4.740 -8.958 -8.136 1.00 0.00 O ATOM 0 H GLU A 16 -2.567 -5.109 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.950 -6.341 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.133 -5.025 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.226 -6.511 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.087 -6.551 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.758 -6.241 -8.667 1.00 0.00 H new ATOM 214 N PRO A 17 -4.339 -8.463 -4.217 1.00 0.00 N ATOM 215 CA PRO A 17 -5.769 -8.171 -4.353 1.00 0.00 C ATOM 216 C PRO A 17 -6.228 -7.069 -3.405 1.00 0.00 C ATOM 217 O PRO A 17 -5.483 -6.649 -2.520 1.00 0.00 O ATOM 218 CB PRO A 17 -6.438 -9.500 -3.993 1.00 0.00 C ATOM 219 CG PRO A 17 -5.455 -10.193 -3.113 1.00 0.00 C ATOM 220 CD PRO A 17 -4.096 -9.782 -3.607 1.00 0.00 C ATOM 0 HA PRO A 17 -6.018 -7.809 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.386 -9.340 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.655 -10.088 -4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.594 -9.906 -2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.579 -11.275 -3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.374 -9.721 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.700 -10.493 -4.332 1.00 0.00 H new ATOM 228 N GLU A 18 -7.459 -6.605 -3.596 1.00 0.00 N ATOM 229 CA GLU A 18 -8.016 -5.550 -2.757 1.00 0.00 C ATOM 230 C GLU A 18 -8.037 -5.975 -1.292 1.00 0.00 C ATOM 231 O GLU A 18 -7.666 -5.207 -0.405 1.00 0.00 O ATOM 232 CB GLU A 18 -9.432 -5.196 -3.217 1.00 0.00 C ATOM 233 CG GLU A 18 -10.167 -4.269 -2.265 1.00 0.00 C ATOM 234 CD GLU A 18 -11.166 -3.376 -2.975 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.239 -3.879 -3.367 1.00 0.00 O ATOM 236 OE2 GLU A 18 -10.874 -2.172 -3.138 1.00 0.00 O ATOM 0 H GLU A 18 -8.089 -6.943 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.380 -4.670 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.379 -4.727 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.007 -6.114 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.687 -4.864 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.443 -3.649 -1.736 1.00 0.00 H new ATOM 243 N GLY A 19 -8.476 -7.206 -1.045 1.00 0.00 N ATOM 244 CA GLY A 19 -8.538 -7.713 0.314 1.00 0.00 C ATOM 245 C GLY A 19 -7.248 -7.487 1.077 1.00 0.00 C ATOM 246 O GLY A 19 -7.266 -7.024 2.217 1.00 0.00 O ATOM 0 H GLY A 19 -8.790 -7.861 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.359 -7.228 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.760 -8.780 0.291 1.00 0.00 H new ATOM 250 N GLY A 20 -6.125 -7.816 0.447 1.00 0.00 N ATOM 251 CA GLY A 20 -4.835 -7.641 1.091 1.00 0.00 C ATOM 252 C GLY A 20 -4.238 -8.954 1.558 1.00 0.00 C ATOM 253 O GLY A 20 -3.523 -8.996 2.559 1.00 0.00 O ATOM 0 H GLY A 20 -6.084 -8.200 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.147 -7.160 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.946 -6.972 1.944 1.00 0.00 H new ATOM 257 N ALA A 21 -4.532 -10.028 0.833 1.00 0.00 N ATOM 258 CA ALA A 21 -4.019 -11.347 1.179 1.00 0.00 C ATOM 259 C ALA A 21 -3.701 -12.158 -0.072 1.00 0.00 C ATOM 260 O ALA A 21 -4.353 -12.006 -1.105 1.00 0.00 O ATOM 261 CB ALA A 21 -5.019 -12.091 2.052 1.00 0.00 C ATOM 0 H ALA A 21 -5.123 -10.010 0.002 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.093 -11.213 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.622 -13.075 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.193 -11.526 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.959 -12.206 1.512 1.00 0.00 H new ATOM 267 N VAL A 22 -2.694 -13.020 0.027 1.00 0.00 N ATOM 268 CA VAL A 22 -2.289 -13.856 -1.097 1.00 0.00 C ATOM 269 C VAL A 22 -1.570 -15.112 -0.618 1.00 0.00 C ATOM 270 O VAL A 22 -0.990 -15.131 0.468 1.00 0.00 O ATOM 271 CB VAL A 22 -1.369 -13.088 -2.065 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.049 -11.819 -2.554 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.041 -12.768 -1.396 1.00 0.00 C ATOM 0 H VAL A 22 -2.143 -13.158 0.875 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.200 -14.142 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.171 -13.721 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.384 -11.290 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.972 -12.078 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.280 -11.179 -1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.597 -12.225 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.217 -12.154 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.451 -13.695 -1.101 1.00 0.00 H new ATOM 283 N ALA A 23 -1.610 -16.159 -1.435 1.00 0.00 N ATOM 284 CA ALA A 23 -0.960 -17.418 -1.096 1.00 0.00 C ATOM 285 C ALA A 23 0.542 -17.228 -0.909 1.00 0.00 C ATOM 286 O ALA A 23 1.122 -16.227 -1.331 1.00 0.00 O ATOM 287 CB ALA A 23 -1.231 -18.459 -2.172 1.00 0.00 C ATOM 0 H ALA A 23 -2.086 -16.160 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.376 -17.770 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.739 -19.394 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.305 -18.625 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.843 -18.105 -3.127 1.00 0.00 H new ATOM 293 N PRO A 24 1.187 -18.208 -0.260 1.00 0.00 N ATOM 294 CA PRO A 24 2.630 -18.171 -0.002 1.00 0.00 C ATOM 295 C PRO A 24 3.451 -18.339 -1.276 1.00 0.00 C ATOM 296 O PRO A 24 3.870 -19.445 -1.614 1.00 0.00 O ATOM 297 CB PRO A 24 2.852 -19.358 0.939 1.00 0.00 C ATOM 298 CG PRO A 24 1.732 -20.294 0.640 1.00 0.00 C ATOM 299 CD PRO A 24 0.558 -19.430 0.271 1.00 0.00 C ATOM 0 HA PRO A 24 2.946 -17.215 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.819 -19.828 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.837 -19.044 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.993 -20.967 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.502 -20.916 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.077 -19.911 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.070 -19.215 1.135 1.00 0.00 H new ATOM 307 N GLY A 25 3.678 -17.234 -1.978 1.00 0.00 N ATOM 308 CA GLY A 25 4.449 -17.281 -3.207 1.00 0.00 C ATOM 309 C GLY A 25 3.758 -16.570 -4.353 1.00 0.00 C ATOM 310 O GLY A 25 4.015 -16.862 -5.520 1.00 0.00 O ATOM 0 H GLY A 25 3.342 -16.307 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.425 -16.826 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.625 -18.321 -3.482 1.00 0.00 H new ATOM 314 N GLY A 26 2.876 -15.632 -4.020 1.00 0.00 N ATOM 315 CA GLY A 26 2.157 -14.893 -5.042 1.00 0.00 C ATOM 316 C GLY A 26 2.794 -13.550 -5.342 1.00 0.00 C ATOM 317 O GLY A 26 3.992 -13.361 -5.129 1.00 0.00 O ATOM 0 H GLY A 26 2.647 -15.371 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.119 -15.486 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.128 -14.739 -4.719 1.00 0.00 H new ATOM 321 N THR A 27 1.992 -12.615 -5.840 1.00 0.00 N ATOM 322 CA THR A 27 2.484 -11.284 -6.173 1.00 0.00 C ATOM 323 C THR A 27 1.442 -10.217 -5.858 1.00 0.00 C ATOM 324 O THR A 27 0.365 -10.193 -6.454 1.00 0.00 O ATOM 325 CB THR A 27 2.872 -11.184 -7.660 1.00 0.00 C ATOM 326 OG1 THR A 27 3.795 -12.226 -7.996 1.00 0.00 O ATOM 327 CG2 THR A 27 3.494 -9.830 -7.967 1.00 0.00 C ATOM 0 H THR A 27 0.998 -12.755 -6.022 1.00 0.00 H new ATOM 0 HA THR A 27 3.370 -11.113 -5.562 1.00 0.00 H new ATOM 0 HB THR A 27 1.967 -11.294 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.036 -12.157 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.760 -9.783 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.779 -9.040 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.390 -9.695 -7.361 1.00 0.00 H new ATOM 335 N VAL A 28 1.768 -9.335 -4.919 1.00 0.00 N ATOM 336 CA VAL A 28 0.860 -8.265 -4.527 1.00 0.00 C ATOM 337 C VAL A 28 1.266 -6.939 -5.162 1.00 0.00 C ATOM 338 O VAL A 28 2.449 -6.605 -5.227 1.00 0.00 O ATOM 339 CB VAL A 28 0.818 -8.096 -2.996 1.00 0.00 C ATOM 340 CG1 VAL A 28 0.025 -6.855 -2.617 1.00 0.00 C ATOM 341 CG2 VAL A 28 0.230 -9.336 -2.340 1.00 0.00 C ATOM 0 H VAL A 28 2.655 -9.341 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.132 -8.546 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 28 1.838 -7.970 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.006 -6.752 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.494 -5.975 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.995 -6.947 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.208 -9.200 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.784 -9.495 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.844 -10.203 -2.584 1.00 0.00 H new ATOM 351 N THR A 29 0.275 -6.186 -5.630 1.00 0.00 N ATOM 352 CA THR A 29 0.529 -4.897 -6.262 1.00 0.00 C ATOM 353 C THR A 29 -0.153 -3.767 -5.498 1.00 0.00 C ATOM 354 O THR A 29 -1.374 -3.615 -5.552 1.00 0.00 O ATOM 355 CB THR A 29 0.040 -4.881 -7.722 1.00 0.00 C ATOM 356 OG1 THR A 29 0.748 -5.864 -8.486 1.00 0.00 O ATOM 357 CG2 THR A 29 0.239 -3.508 -8.345 1.00 0.00 C ATOM 0 H THR A 29 -0.710 -6.446 -5.583 1.00 0.00 H new ATOM 0 HA THR A 29 1.608 -4.744 -6.246 1.00 0.00 H new ATOM 0 HB THR A 29 -1.025 -5.114 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.430 -5.849 -9.413 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.114 -3.522 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.324 -2.766 -7.779 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.298 -3.250 -8.327 1.00 0.00 H new ATOM 365 N LEU A 30 0.643 -2.977 -4.787 1.00 0.00 N ATOM 366 CA LEU A 30 0.116 -1.859 -4.011 1.00 0.00 C ATOM 367 C LEU A 30 0.063 -0.588 -4.854 1.00 0.00 C ATOM 368 O LEU A 30 1.098 -0.024 -5.213 1.00 0.00 O ATOM 369 CB LEU A 30 0.977 -1.624 -2.769 1.00 0.00 C ATOM 370 CG LEU A 30 0.838 -2.659 -1.651 1.00 0.00 C ATOM 371 CD1 LEU A 30 1.841 -3.786 -1.840 1.00 0.00 C ATOM 372 CD2 LEU A 30 1.021 -2.002 -0.291 1.00 0.00 C ATOM 0 H LEU A 30 1.655 -3.089 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.898 -2.110 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.022 -1.589 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.732 -0.643 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.166 -3.082 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.728 -4.513 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.663 -4.274 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.852 -3.380 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.919 -2.753 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.012 -1.552 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.263 -1.230 -0.155 1.00 0.00 H new ATOM 384 N THR A 31 -1.149 -0.141 -5.166 1.00 0.00 N ATOM 385 CA THR A 31 -1.338 1.063 -5.965 1.00 0.00 C ATOM 386 C THR A 31 -1.990 2.170 -5.145 1.00 0.00 C ATOM 387 O THR A 31 -3.130 2.038 -4.699 1.00 0.00 O ATOM 388 CB THR A 31 -2.203 0.782 -7.208 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.730 -0.390 -7.880 1.00 0.00 O ATOM 390 CG2 THR A 31 -2.178 1.966 -8.163 1.00 0.00 C ATOM 0 H THR A 31 -2.015 -0.595 -4.877 1.00 0.00 H new ATOM 0 HA THR A 31 -0.348 1.388 -6.286 1.00 0.00 H new ATOM 0 HB THR A 31 -3.230 0.622 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.287 -0.562 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.796 1.745 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.567 2.850 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.153 2.153 -8.484 1.00 0.00 H new ATOM 398 N CYS A 32 -1.260 3.264 -4.952 1.00 0.00 N ATOM 399 CA CYS A 32 -1.768 4.396 -4.186 1.00 0.00 C ATOM 400 C CYS A 32 -1.514 5.709 -4.922 1.00 0.00 C ATOM 401 O CYS A 32 -0.519 6.389 -4.673 1.00 0.00 O ATOM 402 CB CYS A 32 -1.112 4.439 -2.804 1.00 0.00 C ATOM 403 SG CYS A 32 -2.168 5.151 -1.501 1.00 0.00 S ATOM 0 H CYS A 32 -0.315 3.390 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.844 4.268 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.831 3.426 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.192 5.019 -2.868 1.00 0.00 H new ATOM 408 N GLU A 33 -2.422 6.057 -5.829 1.00 0.00 N ATOM 409 CA GLU A 33 -2.296 7.287 -6.601 1.00 0.00 C ATOM 410 C GLU A 33 -3.172 8.390 -6.015 1.00 0.00 C ATOM 411 O GLU A 33 -3.961 8.152 -5.099 1.00 0.00 O ATOM 412 CB GLU A 33 -2.678 7.040 -8.062 1.00 0.00 C ATOM 413 CG GLU A 33 -1.682 6.172 -8.813 1.00 0.00 C ATOM 414 CD GLU A 33 -2.038 6.010 -10.278 1.00 0.00 C ATOM 415 OE1 GLU A 33 -1.842 6.974 -11.047 1.00 0.00 O ATOM 416 OE2 GLU A 33 -2.512 4.918 -10.655 1.00 0.00 O ATOM 0 H GLU A 33 -3.252 5.505 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.256 7.609 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.659 6.566 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.769 7.999 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.688 6.612 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.635 5.189 -8.343 1.00 0.00 H new ATOM 423 N VAL A 34 -3.029 9.599 -6.548 1.00 0.00 N ATOM 424 CA VAL A 34 -3.807 10.739 -6.079 1.00 0.00 C ATOM 425 C VAL A 34 -4.465 11.472 -7.243 1.00 0.00 C ATOM 426 O VAL A 34 -3.868 11.668 -8.302 1.00 0.00 O ATOM 427 CB VAL A 34 -2.930 11.732 -5.292 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.740 12.953 -4.884 1.00 0.00 C ATOM 429 CG2 VAL A 34 -2.321 11.054 -4.074 1.00 0.00 C ATOM 0 H VAL A 34 -2.381 9.814 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.579 10.344 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.118 12.065 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.104 13.643 -4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.123 13.450 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.574 12.643 -4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.705 11.769 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.117 10.692 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.704 10.214 -4.395 1.00 0.00 H new ATOM 439 N PRO A 35 -5.724 11.887 -7.045 1.00 0.00 N ATOM 440 CA PRO A 35 -6.491 12.606 -8.066 1.00 0.00 C ATOM 441 C PRO A 35 -5.960 14.016 -8.305 1.00 0.00 C ATOM 442 O PRO A 35 -5.709 14.410 -9.443 1.00 0.00 O ATOM 443 CB PRO A 35 -7.903 12.659 -7.478 1.00 0.00 C ATOM 444 CG PRO A 35 -7.704 12.563 -6.005 1.00 0.00 C ATOM 445 CD PRO A 35 -6.497 11.688 -5.807 1.00 0.00 C ATOM 0 HA PRO A 35 -6.437 12.114 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.410 13.585 -7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.517 11.838 -7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.547 13.549 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.581 12.134 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.927 11.983 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.776 10.643 -5.671 1.00 0.00 H new ATOM 453 N ALA A 36 -5.791 14.770 -7.224 1.00 0.00 N ATOM 454 CA ALA A 36 -5.287 16.135 -7.316 1.00 0.00 C ATOM 455 C ALA A 36 -3.835 16.154 -7.783 1.00 0.00 C ATOM 456 O ALA A 36 -3.417 17.063 -8.499 1.00 0.00 O ATOM 457 CB ALA A 36 -5.421 16.838 -5.974 1.00 0.00 C ATOM 0 H ALA A 36 -5.996 14.459 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.886 16.668 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.041 17.856 -6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.470 16.865 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.848 16.297 -5.221 1.00 0.00 H new ATOM 463 N GLN A 37 -3.073 15.145 -7.373 1.00 0.00 N ATOM 464 CA GLN A 37 -1.668 15.048 -7.749 1.00 0.00 C ATOM 465 C GLN A 37 -1.426 13.837 -8.644 1.00 0.00 C ATOM 466 O GLN A 37 -1.695 12.695 -8.270 1.00 0.00 O ATOM 467 CB GLN A 37 -0.789 14.958 -6.500 1.00 0.00 C ATOM 468 CG GLN A 37 0.691 15.167 -6.781 1.00 0.00 C ATOM 469 CD GLN A 37 1.428 15.771 -5.602 1.00 0.00 C ATOM 470 OE1 GLN A 37 0.933 15.764 -4.475 1.00 0.00 O ATOM 471 NE2 GLN A 37 2.620 16.299 -5.857 1.00 0.00 N ATOM 0 H GLN A 37 -3.405 14.384 -6.781 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.404 15.947 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.122 15.703 -5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.928 13.981 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.147 14.211 -7.039 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.804 15.818 -7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.992 16.283 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.163 16.720 -5.103 1.00 0.00 H new ATOM 480 N PRO A 38 -0.907 14.089 -9.854 1.00 0.00 N ATOM 481 CA PRO A 38 -0.617 13.032 -10.828 1.00 0.00 C ATOM 482 C PRO A 38 0.555 12.155 -10.400 1.00 0.00 C ATOM 483 O PRO A 38 0.454 10.928 -10.392 1.00 0.00 O ATOM 484 CB PRO A 38 -0.268 13.808 -12.100 1.00 0.00 C ATOM 485 CG PRO A 38 0.219 15.130 -11.617 1.00 0.00 C ATOM 486 CD PRO A 38 -0.562 15.426 -10.366 1.00 0.00 C ATOM 0 HA PRO A 38 -1.456 12.346 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.497 13.293 -12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.138 13.919 -12.747 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.289 15.101 -11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.060 15.903 -12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.031 15.991 -9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.453 16.017 -10.579 1.00 0.00 H new ATOM 494 N SER A 39 1.665 12.792 -10.043 1.00 0.00 N ATOM 495 CA SER A 39 2.858 12.070 -9.617 1.00 0.00 C ATOM 496 C SER A 39 3.363 12.597 -8.277 1.00 0.00 C ATOM 497 O SER A 39 4.448 13.169 -8.175 1.00 0.00 O ATOM 498 CB SER A 39 3.958 12.191 -10.673 1.00 0.00 C ATOM 499 OG SER A 39 4.239 13.550 -10.963 1.00 0.00 O ATOM 0 H SER A 39 1.763 13.807 -10.040 1.00 0.00 H new ATOM 0 HA SER A 39 2.593 11.019 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.863 11.697 -10.319 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.650 11.678 -11.584 1.00 0.00 H new ATOM 0 HG SER A 39 4.528 14.006 -10.145 1.00 0.00 H new ATOM 505 N PRO A 40 2.557 12.399 -7.223 1.00 0.00 N ATOM 506 CA PRO A 40 2.899 12.846 -5.870 1.00 0.00 C ATOM 507 C PRO A 40 4.047 12.042 -5.267 1.00 0.00 C ATOM 508 O PRO A 40 4.633 11.189 -5.931 1.00 0.00 O ATOM 509 CB PRO A 40 1.609 12.611 -5.081 1.00 0.00 C ATOM 510 CG PRO A 40 0.905 11.526 -5.821 1.00 0.00 C ATOM 511 CD PRO A 40 1.249 11.725 -7.272 1.00 0.00 C ATOM 0 HA PRO A 40 3.239 13.881 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.822 12.316 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.003 13.516 -5.034 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.227 10.544 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.172 11.582 -5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.306 10.776 -7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.502 12.333 -7.782 1.00 0.00 H new ATOM 519 N GLN A 41 4.360 12.321 -4.006 1.00 0.00 N ATOM 520 CA GLN A 41 5.437 11.623 -3.315 1.00 0.00 C ATOM 521 C GLN A 41 4.916 10.370 -2.619 1.00 0.00 C ATOM 522 O GLN A 41 4.412 10.437 -1.497 1.00 0.00 O ATOM 523 CB GLN A 41 6.101 12.549 -2.294 1.00 0.00 C ATOM 524 CG GLN A 41 7.093 13.523 -2.911 1.00 0.00 C ATOM 525 CD GLN A 41 8.457 12.901 -3.139 1.00 0.00 C ATOM 526 OE1 GLN A 41 8.668 11.720 -2.860 1.00 0.00 O ATOM 527 NE2 GLN A 41 9.392 13.694 -3.648 1.00 0.00 N ATOM 0 H GLN A 41 3.883 13.025 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 41 6.176 11.323 -4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.329 13.113 -1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.615 11.944 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.699 13.884 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.198 14.390 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.173 14.667 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.329 13.331 -3.823 1.00 0.00 H new ATOM 536 N ILE A 42 5.041 9.231 -3.290 1.00 0.00 N ATOM 537 CA ILE A 42 4.583 7.963 -2.735 1.00 0.00 C ATOM 538 C ILE A 42 5.660 7.321 -1.868 1.00 0.00 C ATOM 539 O ILE A 42 6.840 7.325 -2.221 1.00 0.00 O ATOM 540 CB ILE A 42 4.177 6.976 -3.846 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.288 7.673 -4.878 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.463 5.772 -3.249 1.00 0.00 C ATOM 543 CD1 ILE A 42 1.938 8.082 -4.334 1.00 0.00 C ATOM 0 H ILE A 42 5.456 9.160 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 42 3.710 8.184 -2.121 1.00 0.00 H new ATOM 0 HB ILE A 42 5.079 6.626 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.804 8.558 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.141 7.007 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.182 5.083 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.127 5.265 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.567 6.104 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.362 8.570 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.403 7.198 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.075 8.773 -3.502 1.00 0.00 H new ATOM 555 N HIS A 43 5.247 6.768 -0.732 1.00 0.00 N ATOM 556 CA HIS A 43 6.176 6.119 0.185 1.00 0.00 C ATOM 557 C HIS A 43 5.615 4.789 0.677 1.00 0.00 C ATOM 558 O HIS A 43 4.414 4.535 0.575 1.00 0.00 O ATOM 559 CB HIS A 43 6.473 7.032 1.375 1.00 0.00 C ATOM 560 CG HIS A 43 7.577 8.012 1.118 1.00 0.00 C ATOM 561 ND1 HIS A 43 7.352 9.344 0.844 1.00 0.00 N ATOM 562 CD2 HIS A 43 8.920 7.846 1.097 1.00 0.00 C ATOM 563 CE1 HIS A 43 8.509 9.955 0.663 1.00 0.00 C ATOM 564 NE2 HIS A 43 9.477 9.068 0.812 1.00 0.00 N ATOM 0 H HIS A 43 4.274 6.757 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 43 7.103 5.924 -0.354 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.567 7.578 1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.736 6.418 2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.454 6.924 1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.641 11.002 0.432 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.475 9.260 0.729 1.00 0.00 H new ATOM 573 N TRP A 44 6.490 3.944 1.210 1.00 0.00 N ATOM 574 CA TRP A 44 6.080 2.639 1.717 1.00 0.00 C ATOM 575 C TRP A 44 6.706 2.364 3.080 1.00 0.00 C ATOM 576 O TRP A 44 7.929 2.354 3.220 1.00 0.00 O ATOM 577 CB TRP A 44 6.473 1.539 0.730 1.00 0.00 C ATOM 578 CG TRP A 44 5.801 1.669 -0.603 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.399 1.948 -1.799 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.402 1.528 -0.875 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.456 1.989 -2.798 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.224 1.733 -2.257 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.284 1.246 -0.086 1.00 0.00 C ATOM 584 CZ2 TRP A 44 2.973 1.666 -2.864 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.043 1.180 -0.690 1.00 0.00 C ATOM 586 CH2 TRP A 44 1.895 1.388 -2.068 1.00 0.00 C ATOM 0 H TRP A 44 7.487 4.139 1.302 1.00 0.00 H new ATOM 0 HA TRP A 44 4.996 2.645 1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.553 1.558 0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.225 0.569 1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.457 2.112 -1.939 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.643 2.179 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.388 1.083 0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.857 1.828 -3.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.172 0.964 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.912 1.328 -2.510 1.00 0.00 H new ATOM 597 N MET A 45 5.861 2.140 4.081 1.00 0.00 N ATOM 598 CA MET A 45 6.334 1.863 5.432 1.00 0.00 C ATOM 599 C MET A 45 6.234 0.374 5.748 1.00 0.00 C ATOM 600 O MET A 45 5.471 -0.356 5.116 1.00 0.00 O ATOM 601 CB MET A 45 5.526 2.668 6.453 1.00 0.00 C ATOM 602 CG MET A 45 5.581 4.170 6.223 1.00 0.00 C ATOM 603 SD MET A 45 5.190 5.114 7.708 1.00 0.00 S ATOM 604 CE MET A 45 6.789 5.155 8.515 1.00 0.00 C ATOM 0 H MET A 45 4.846 2.145 3.982 1.00 0.00 H new ATOM 0 HA MET A 45 7.381 2.160 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.487 2.341 6.420 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.898 2.448 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.577 4.444 5.874 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.881 4.438 5.432 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.669 5.497 9.543 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.223 4.155 8.513 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.449 5.838 7.980 1.00 0.00 H new ATOM 614 N LYS A 46 7.011 -0.070 6.731 1.00 0.00 N ATOM 615 CA LYS A 46 7.010 -1.472 7.132 1.00 0.00 C ATOM 616 C LYS A 46 7.339 -1.614 8.615 1.00 0.00 C ATOM 617 O LYS A 46 8.488 -1.450 9.024 1.00 0.00 O ATOM 618 CB LYS A 46 8.020 -2.263 6.297 1.00 0.00 C ATOM 619 CG LYS A 46 7.949 -3.764 6.519 1.00 0.00 C ATOM 620 CD LYS A 46 8.375 -4.532 5.279 1.00 0.00 C ATOM 621 CE LYS A 46 8.373 -6.033 5.525 1.00 0.00 C ATOM 622 NZ LYS A 46 9.629 -6.490 6.180 1.00 0.00 N ATOM 0 H LYS A 46 7.649 0.521 7.264 1.00 0.00 H new ATOM 0 HA LYS A 46 6.011 -1.873 6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.851 -2.052 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.026 -1.916 6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.590 -4.039 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.931 -4.045 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.702 -4.296 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.373 -4.213 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.520 -6.297 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.247 -6.556 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.588 -7.518 6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.441 -6.261 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.737 -6.010 7.096 1.00 0.00 H new ATOM 636 N ASP A 47 6.323 -1.920 9.414 1.00 0.00 N ATOM 637 CA ASP A 47 6.504 -2.086 10.852 1.00 0.00 C ATOM 638 C ASP A 47 6.834 -0.753 11.516 1.00 0.00 C ATOM 639 O ASP A 47 7.548 -0.706 12.516 1.00 0.00 O ATOM 640 CB ASP A 47 7.615 -3.099 11.133 1.00 0.00 C ATOM 641 CG ASP A 47 7.544 -3.660 12.540 1.00 0.00 C ATOM 642 OD1 ASP A 47 7.002 -2.969 13.428 1.00 0.00 O ATOM 643 OD2 ASP A 47 8.030 -4.790 12.752 1.00 0.00 O ATOM 0 H ASP A 47 5.365 -2.058 9.091 1.00 0.00 H new ATOM 0 HA ASP A 47 5.569 -2.458 11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.548 -3.916 10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.584 -2.622 10.983 1.00 0.00 H new ATOM 648 N GLY A 48 6.310 0.330 10.950 1.00 0.00 N ATOM 649 CA GLY A 48 6.561 1.650 11.500 1.00 0.00 C ATOM 650 C GLY A 48 7.780 2.311 10.887 1.00 0.00 C ATOM 651 O GLY A 48 7.906 3.535 10.905 1.00 0.00 O ATOM 0 H GLY A 48 5.716 0.317 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.688 2.281 11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.698 1.571 12.578 1.00 0.00 H new ATOM 655 N VAL A 49 8.682 1.498 10.346 1.00 0.00 N ATOM 656 CA VAL A 49 9.898 2.011 9.726 1.00 0.00 C ATOM 657 C VAL A 49 9.879 1.794 8.217 1.00 0.00 C ATOM 658 O VAL A 49 9.531 0.721 7.723 1.00 0.00 O ATOM 659 CB VAL A 49 11.154 1.341 10.314 1.00 0.00 C ATOM 660 CG1 VAL A 49 11.011 -0.173 10.293 1.00 0.00 C ATOM 661 CG2 VAL A 49 12.396 1.779 9.554 1.00 0.00 C ATOM 0 H VAL A 49 8.594 0.482 10.325 1.00 0.00 H new ATOM 0 HA VAL A 49 9.934 3.080 9.936 1.00 0.00 H new ATOM 0 HB VAL A 49 11.261 1.657 11.352 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.908 -0.629 10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.144 -0.465 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.878 -0.512 9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.274 1.296 9.983 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.301 1.494 8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 49 12.505 2.861 9.628 1.00 0.00 H new ATOM 671 N PRO A 50 10.263 2.835 7.464 1.00 0.00 N ATOM 672 CA PRO A 50 10.300 2.783 6.000 1.00 0.00 C ATOM 673 C PRO A 50 11.409 1.873 5.480 1.00 0.00 C ATOM 674 O PRO A 50 12.384 1.602 6.183 1.00 0.00 O ATOM 675 CB PRO A 50 10.569 4.235 5.599 1.00 0.00 C ATOM 676 CG PRO A 50 11.264 4.830 6.775 1.00 0.00 C ATOM 677 CD PRO A 50 10.691 4.145 7.985 1.00 0.00 C ATOM 0 HA PRO A 50 9.379 2.376 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.188 4.290 4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.641 4.763 5.378 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.341 4.674 6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.100 5.907 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.433 4.040 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.854 4.704 8.405 1.00 0.00 H new ATOM 685 N LEU A 51 11.254 1.405 4.247 1.00 0.00 N ATOM 686 CA LEU A 51 12.243 0.526 3.633 1.00 0.00 C ATOM 687 C LEU A 51 13.038 1.265 2.561 1.00 0.00 C ATOM 688 O LEU A 51 12.534 2.167 1.891 1.00 0.00 O ATOM 689 CB LEU A 51 11.557 -0.698 3.022 1.00 0.00 C ATOM 690 CG LEU A 51 10.542 -1.413 3.915 1.00 0.00 C ATOM 691 CD1 LEU A 51 9.466 -2.079 3.072 1.00 0.00 C ATOM 692 CD2 LEU A 51 11.239 -2.437 4.799 1.00 0.00 C ATOM 0 H LEU A 51 10.453 1.619 3.653 1.00 0.00 H new ATOM 0 HA LEU A 51 12.934 0.198 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.052 -0.388 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.326 -1.415 2.734 1.00 0.00 H new ATOM 0 HG LEU A 51 10.065 -0.672 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.753 -2.583 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.947 -1.324 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.926 -2.808 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.502 -2.936 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.742 -3.175 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.973 -1.934 5.429 1.00 0.00 H new ATOM 704 N PRO A 52 14.309 0.874 2.392 1.00 0.00 N ATOM 705 CA PRO A 52 15.200 1.484 1.401 1.00 0.00 C ATOM 706 C PRO A 52 14.801 1.137 -0.030 1.00 0.00 C ATOM 707 O PRO A 52 15.292 0.164 -0.604 1.00 0.00 O ATOM 708 CB PRO A 52 16.568 0.883 1.735 1.00 0.00 C ATOM 709 CG PRO A 52 16.259 -0.413 2.402 1.00 0.00 C ATOM 710 CD PRO A 52 14.976 -0.195 3.155 1.00 0.00 C ATOM 0 HA PRO A 52 15.175 2.573 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.165 0.733 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.140 1.540 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.151 -1.213 1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.063 -0.706 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.371 -1.101 3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.162 0.104 4.187 1.00 0.00 H new ATOM 718 N LEU A 53 13.908 1.938 -0.600 1.00 0.00 N ATOM 719 CA LEU A 53 13.442 1.716 -1.965 1.00 0.00 C ATOM 720 C LEU A 53 12.918 3.010 -2.579 1.00 0.00 C ATOM 721 O LEU A 53 12.524 3.943 -1.879 1.00 0.00 O ATOM 722 CB LEU A 53 12.346 0.649 -1.983 1.00 0.00 C ATOM 723 CG LEU A 53 12.818 -0.800 -1.854 1.00 0.00 C ATOM 724 CD1 LEU A 53 11.628 -1.742 -1.757 1.00 0.00 C ATOM 725 CD2 LEU A 53 13.706 -1.179 -3.031 1.00 0.00 C ATOM 0 H LEU A 53 13.492 2.747 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 53 14.287 1.370 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.651 0.857 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.787 0.747 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 53 13.403 -0.891 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.983 -2.769 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.031 -1.485 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.016 -1.648 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 53 14.032 -2.213 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.145 -1.071 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.577 -0.524 -3.055 1.00 0.00 H new ATOM 737 N PRO A 54 12.911 3.069 -3.919 1.00 0.00 N ATOM 738 CA PRO A 54 12.435 4.243 -4.657 1.00 0.00 C ATOM 739 C PRO A 54 10.926 4.426 -4.543 1.00 0.00 C ATOM 740 O PRO A 54 10.153 3.471 -4.620 1.00 0.00 O ATOM 741 CB PRO A 54 12.829 3.935 -6.104 1.00 0.00 C ATOM 742 CG PRO A 54 12.897 2.449 -6.171 1.00 0.00 C ATOM 743 CD PRO A 54 13.367 1.994 -4.816 1.00 0.00 C ATOM 0 HA PRO A 54 12.863 5.168 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.095 4.330 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.788 4.387 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.922 2.024 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.585 2.125 -6.952 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.934 1.032 -4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.450 1.877 -4.785 1.00 0.00 H new ATOM 751 N PRO A 55 10.494 5.682 -4.357 1.00 0.00 N ATOM 752 CA PRO A 55 9.073 6.020 -4.230 1.00 0.00 C ATOM 753 C PRO A 55 8.318 5.851 -5.543 1.00 0.00 C ATOM 754 O PRO A 55 8.455 6.663 -6.458 1.00 0.00 O ATOM 755 CB PRO A 55 9.095 7.492 -3.811 1.00 0.00 C ATOM 756 CG PRO A 55 10.389 8.015 -4.332 1.00 0.00 C ATOM 757 CD PRO A 55 11.359 6.869 -4.256 1.00 0.00 C ATOM 0 HA PRO A 55 8.560 5.369 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.250 8.036 -4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.033 7.596 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.282 8.369 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.736 8.860 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.088 6.905 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.920 6.879 -3.322 1.00 0.00 H new ATOM 765 N SER A 56 7.519 4.792 -5.630 1.00 0.00 N ATOM 766 CA SER A 56 6.744 4.515 -6.833 1.00 0.00 C ATOM 767 C SER A 56 5.268 4.325 -6.497 1.00 0.00 C ATOM 768 O SER A 56 4.908 3.748 -5.470 1.00 0.00 O ATOM 769 CB SER A 56 7.283 3.268 -7.537 1.00 0.00 C ATOM 770 OG SER A 56 6.618 3.050 -8.769 1.00 0.00 O ATOM 0 H SER A 56 7.392 4.112 -4.881 1.00 0.00 H new ATOM 0 HA SER A 56 6.839 5.371 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.353 3.380 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.155 2.399 -6.892 1.00 0.00 H new ATOM 0 HG SER A 56 6.982 2.248 -9.200 1.00 0.00 H new ATOM 776 N PRO A 57 4.391 4.821 -7.383 1.00 0.00 N ATOM 777 CA PRO A 57 2.940 4.718 -7.203 1.00 0.00 C ATOM 778 C PRO A 57 2.437 3.287 -7.359 1.00 0.00 C ATOM 779 O PRO A 57 1.231 3.043 -7.390 1.00 0.00 O ATOM 780 CB PRO A 57 2.381 5.606 -8.318 1.00 0.00 C ATOM 781 CG PRO A 57 3.442 5.613 -9.364 1.00 0.00 C ATOM 782 CD PRO A 57 4.750 5.520 -8.628 1.00 0.00 C ATOM 0 HA PRO A 57 2.630 5.020 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.443 5.209 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.175 6.613 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.320 4.774 -10.050 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.395 6.523 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.494 4.966 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.170 6.506 -8.429 1.00 0.00 H new ATOM 790 N VAL A 58 3.369 2.344 -7.456 1.00 0.00 N ATOM 791 CA VAL A 58 3.019 0.937 -7.606 1.00 0.00 C ATOM 792 C VAL A 58 4.148 0.035 -7.121 1.00 0.00 C ATOM 793 O VAL A 58 5.169 -0.118 -7.794 1.00 0.00 O ATOM 794 CB VAL A 58 2.696 0.592 -9.073 1.00 0.00 C ATOM 795 CG1 VAL A 58 3.686 1.267 -10.010 1.00 0.00 C ATOM 796 CG2 VAL A 58 2.697 -0.915 -9.278 1.00 0.00 C ATOM 0 H VAL A 58 4.372 2.529 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 58 2.132 0.765 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 58 1.699 0.966 -9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.443 1.012 -11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.631 2.348 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.695 0.925 -9.780 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.467 -1.141 -10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.680 -1.316 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.945 -1.370 -8.634 1.00 0.00 H new ATOM 806 N LEU A 59 3.959 -0.561 -5.949 1.00 0.00 N ATOM 807 CA LEU A 59 4.962 -1.450 -5.372 1.00 0.00 C ATOM 808 C LEU A 59 4.522 -2.907 -5.474 1.00 0.00 C ATOM 809 O LEU A 59 3.558 -3.321 -4.829 1.00 0.00 O ATOM 810 CB LEU A 59 5.216 -1.083 -3.909 1.00 0.00 C ATOM 811 CG LEU A 59 5.821 -2.183 -3.036 1.00 0.00 C ATOM 812 CD1 LEU A 59 7.186 -2.594 -3.565 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.924 -1.721 -1.590 1.00 0.00 C ATOM 0 H LEU A 59 3.121 -0.445 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 59 5.887 -1.329 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.880 -0.219 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.271 -0.772 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 59 5.164 -3.052 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.601 -3.378 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.084 -2.968 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.853 -1.732 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.357 -2.517 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.559 -0.837 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.930 -1.478 -1.214 1.00 0.00 H new ATOM 825 N ILE A 60 5.236 -3.680 -6.285 1.00 0.00 N ATOM 826 CA ILE A 60 4.920 -5.091 -6.468 1.00 0.00 C ATOM 827 C ILE A 60 5.831 -5.972 -5.620 1.00 0.00 C ATOM 828 O ILE A 60 7.056 -5.863 -5.685 1.00 0.00 O ATOM 829 CB ILE A 60 5.050 -5.510 -7.945 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.241 -4.568 -8.838 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.591 -6.949 -8.129 1.00 0.00 C ATOM 832 CD1 ILE A 60 4.940 -3.257 -9.123 1.00 0.00 C ATOM 0 H ILE A 60 6.037 -3.353 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 60 3.887 -5.227 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 60 6.098 -5.444 -8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.028 -5.069 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.282 -4.363 -8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.689 -7.231 -9.177 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.207 -7.608 -7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.548 -7.040 -7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.309 -2.639 -9.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.129 -2.734 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.886 -3.451 -9.628 1.00 0.00 H new ATOM 844 N LEU A 61 5.224 -6.847 -4.824 1.00 0.00 N ATOM 845 CA LEU A 61 5.980 -7.749 -3.963 1.00 0.00 C ATOM 846 C LEU A 61 5.890 -9.186 -4.468 1.00 0.00 C ATOM 847 O LEU A 61 5.135 -10.007 -3.947 1.00 0.00 O ATOM 848 CB LEU A 61 5.461 -7.669 -2.526 1.00 0.00 C ATOM 849 CG LEU A 61 6.481 -7.965 -1.426 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.550 -6.885 -1.385 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.790 -8.086 -0.076 1.00 0.00 C ATOM 0 H LEU A 61 4.211 -6.950 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 61 7.025 -7.440 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.059 -6.669 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.631 -8.368 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 61 6.963 -8.916 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.267 -7.113 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.066 -6.847 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.085 -5.920 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.531 -8.297 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.280 -7.151 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.063 -8.897 -0.111 1.00 0.00 H new ATOM 863 N PRO A 62 6.680 -9.499 -5.505 1.00 0.00 N ATOM 864 CA PRO A 62 6.711 -10.838 -6.102 1.00 0.00 C ATOM 865 C PRO A 62 7.349 -11.869 -5.178 1.00 0.00 C ATOM 866 O PRO A 62 8.243 -11.546 -4.397 1.00 0.00 O ATOM 867 CB PRO A 62 7.562 -10.646 -7.360 1.00 0.00 C ATOM 868 CG PRO A 62 8.425 -9.471 -7.058 1.00 0.00 C ATOM 869 CD PRO A 62 7.605 -8.570 -6.176 1.00 0.00 C ATOM 0 HA PRO A 62 5.710 -11.219 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.160 -11.532 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.939 -10.465 -8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.342 -9.779 -6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.720 -8.958 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.227 -8.035 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.069 -7.819 -6.756 1.00 0.00 H new ATOM 877 N GLU A 63 6.885 -13.111 -5.275 1.00 0.00 N ATOM 878 CA GLU A 63 7.412 -14.190 -4.447 1.00 0.00 C ATOM 879 C GLU A 63 7.196 -13.893 -2.965 1.00 0.00 C ATOM 880 O GLU A 63 8.143 -13.895 -2.177 1.00 0.00 O ATOM 881 CB GLU A 63 8.903 -14.395 -4.725 1.00 0.00 C ATOM 882 CG GLU A 63 9.181 -15.301 -5.913 1.00 0.00 C ATOM 883 CD GLU A 63 9.267 -14.538 -7.221 1.00 0.00 C ATOM 884 OE1 GLU A 63 8.215 -14.346 -7.865 1.00 0.00 O ATOM 885 OE2 GLU A 63 10.386 -14.134 -7.600 1.00 0.00 O ATOM 0 H GLU A 63 6.146 -13.395 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 63 6.874 -15.104 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.368 -13.425 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.375 -14.818 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.116 -15.836 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.393 -16.051 -5.985 1.00 0.00 H new ATOM 892 N ILE A 64 5.946 -13.638 -2.595 1.00 0.00 N ATOM 893 CA ILE A 64 5.606 -13.340 -1.209 1.00 0.00 C ATOM 894 C ILE A 64 5.661 -14.597 -0.348 1.00 0.00 C ATOM 895 O ILE A 64 5.353 -15.694 -0.811 1.00 0.00 O ATOM 896 CB ILE A 64 4.203 -12.715 -1.096 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.288 -11.192 -1.223 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.554 -13.106 0.223 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.976 -10.544 -1.604 1.00 0.00 C ATOM 0 H ILE A 64 5.152 -13.632 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 64 6.344 -12.623 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 64 3.585 -13.095 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.628 -10.775 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.040 -10.939 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.563 -12.657 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.465 -14.191 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.169 -12.751 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.111 -9.465 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.644 -10.933 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.226 -10.766 -0.845 1.00 0.00 H new ATOM 911 N GLY A 65 6.055 -14.429 0.911 1.00 0.00 N ATOM 912 CA GLY A 65 6.142 -15.558 1.819 1.00 0.00 C ATOM 913 C GLY A 65 5.798 -15.181 3.246 1.00 0.00 C ATOM 914 O GLY A 65 5.099 -14.200 3.501 1.00 0.00 O ATOM 0 H GLY A 65 6.316 -13.531 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.467 -16.345 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.151 -15.969 1.788 1.00 0.00 H new ATOM 918 N PRO A 66 6.294 -15.974 4.207 1.00 0.00 N ATOM 919 CA PRO A 66 6.048 -15.740 5.633 1.00 0.00 C ATOM 920 C PRO A 66 6.767 -14.499 6.150 1.00 0.00 C ATOM 921 O PRO A 66 6.263 -13.798 7.027 1.00 0.00 O ATOM 922 CB PRO A 66 6.606 -16.999 6.302 1.00 0.00 C ATOM 923 CG PRO A 66 7.635 -17.507 5.352 1.00 0.00 C ATOM 924 CD PRO A 66 7.135 -17.161 3.976 1.00 0.00 C ATOM 0 HA PRO A 66 4.992 -15.563 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.043 -16.770 7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.823 -17.738 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.604 -17.045 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.768 -18.583 5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.956 -16.945 3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.563 -17.980 3.539 1.00 0.00 H new ATOM 932 N GLN A 67 7.948 -14.233 5.600 1.00 0.00 N ATOM 933 CA GLN A 67 8.736 -13.075 6.006 1.00 0.00 C ATOM 934 C GLN A 67 8.179 -11.795 5.393 1.00 0.00 C ATOM 935 O GLN A 67 8.259 -10.722 5.992 1.00 0.00 O ATOM 936 CB GLN A 67 10.198 -13.258 5.595 1.00 0.00 C ATOM 937 CG GLN A 67 10.858 -14.477 6.218 1.00 0.00 C ATOM 938 CD GLN A 67 12.367 -14.356 6.282 1.00 0.00 C ATOM 939 OE1 GLN A 67 13.003 -13.870 5.345 1.00 0.00 O ATOM 940 NE2 GLN A 67 12.951 -14.797 7.390 1.00 0.00 N ATOM 0 H GLN A 67 8.380 -14.803 4.873 1.00 0.00 H new ATOM 0 HA GLN A 67 8.679 -12.990 7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.254 -13.340 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.760 -12.367 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.466 -14.623 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.593 -15.363 5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.386 -15.192 8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.965 -14.740 7.489 1.00 0.00 H new ATOM 949 N ASP A 68 7.616 -11.915 4.196 1.00 0.00 N ATOM 950 CA ASP A 68 7.044 -10.767 3.501 1.00 0.00 C ATOM 951 C ASP A 68 5.903 -10.156 4.309 1.00 0.00 C ATOM 952 O ASP A 68 5.759 -8.935 4.370 1.00 0.00 O ATOM 953 CB ASP A 68 6.542 -11.179 2.117 1.00 0.00 C ATOM 954 CG ASP A 68 7.646 -11.746 1.245 1.00 0.00 C ATOM 955 OD1 ASP A 68 8.134 -12.853 1.551 1.00 0.00 O ATOM 956 OD2 ASP A 68 8.020 -11.081 0.257 1.00 0.00 O ATOM 0 H ASP A 68 7.543 -12.796 3.686 1.00 0.00 H new ATOM 0 HA ASP A 68 7.826 -10.017 3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.752 -11.922 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.100 -10.314 1.622 1.00 0.00 H new ATOM 961 N GLN A 69 5.096 -11.013 4.925 1.00 0.00 N ATOM 962 CA GLN A 69 3.967 -10.556 5.727 1.00 0.00 C ATOM 963 C GLN A 69 4.343 -9.325 6.545 1.00 0.00 C ATOM 964 O GLN A 69 5.481 -9.187 6.991 1.00 0.00 O ATOM 965 CB GLN A 69 3.489 -11.674 6.656 1.00 0.00 C ATOM 966 CG GLN A 69 2.688 -12.754 5.947 1.00 0.00 C ATOM 967 CD GLN A 69 1.864 -13.592 6.904 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.780 -13.189 7.326 1.00 0.00 O ATOM 969 NE2 GLN A 69 2.375 -14.768 7.252 1.00 0.00 N ATOM 0 H GLN A 69 5.202 -12.027 4.884 1.00 0.00 H new ATOM 0 HA GLN A 69 3.158 -10.285 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.354 -12.131 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.878 -11.241 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.027 -12.289 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.368 -13.403 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.277 -15.063 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.865 -15.376 7.893 1.00 0.00 H new ATOM 978 N GLY A 70 3.377 -8.432 6.738 1.00 0.00 N ATOM 979 CA GLY A 70 3.627 -7.223 7.502 1.00 0.00 C ATOM 980 C GLY A 70 2.506 -6.211 7.369 1.00 0.00 C ATOM 981 O GLY A 70 1.342 -6.580 7.208 1.00 0.00 O ATOM 0 H GLY A 70 2.427 -8.524 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.756 -7.481 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.561 -6.772 7.167 1.00 0.00 H new ATOM 985 N THR A 71 2.855 -4.931 7.439 1.00 0.00 N ATOM 986 CA THR A 71 1.870 -3.862 7.329 1.00 0.00 C ATOM 987 C THR A 71 2.417 -2.691 6.522 1.00 0.00 C ATOM 988 O THR A 71 3.320 -1.984 6.970 1.00 0.00 O ATOM 989 CB THR A 71 1.432 -3.356 8.716 1.00 0.00 C ATOM 990 OG1 THR A 71 1.626 -4.383 9.695 1.00 0.00 O ATOM 991 CG2 THR A 71 -0.028 -2.931 8.701 1.00 0.00 C ATOM 0 H THR A 71 3.814 -4.609 7.572 1.00 0.00 H new ATOM 0 HA THR A 71 1.005 -4.281 6.814 1.00 0.00 H new ATOM 0 HB THR A 71 2.042 -2.490 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.347 -4.053 10.575 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.314 -2.577 9.692 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.166 -2.129 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.652 -3.781 8.425 1.00 0.00 H new ATOM 999 N TYR A 72 1.866 -2.489 5.331 1.00 0.00 N ATOM 1000 CA TYR A 72 2.300 -1.403 4.461 1.00 0.00 C ATOM 1001 C TYR A 72 1.284 -0.265 4.460 1.00 0.00 C ATOM 1002 O TYR A 72 0.156 -0.425 4.927 1.00 0.00 O ATOM 1003 CB TYR A 72 2.509 -1.916 3.035 1.00 0.00 C ATOM 1004 CG TYR A 72 3.558 -3.000 2.929 1.00 0.00 C ATOM 1005 CD1 TYR A 72 3.281 -4.303 3.322 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.826 -2.721 2.434 1.00 0.00 C ATOM 1007 CE1 TYR A 72 4.236 -5.297 3.228 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.787 -3.708 2.335 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.488 -4.994 2.734 1.00 0.00 C ATOM 1010 OH TYR A 72 6.442 -5.981 2.637 1.00 0.00 O ATOM 0 H TYR A 72 1.117 -3.064 4.945 1.00 0.00 H new ATOM 0 HA TYR A 72 3.246 -1.021 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.563 -2.299 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.796 -1.081 2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.301 -4.544 3.708 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.064 -1.715 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.004 -6.305 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.767 -3.474 1.947 1.00 0.00 H new ATOM 0 HH TYR A 72 7.268 -5.603 2.269 1.00 0.00 H new ATOM 1020 N SER A 73 1.692 0.884 3.932 1.00 0.00 N ATOM 1021 CA SER A 73 0.819 2.051 3.872 1.00 0.00 C ATOM 1022 C SER A 73 1.490 3.192 3.114 1.00 0.00 C ATOM 1023 O SER A 73 2.652 3.519 3.360 1.00 0.00 O ATOM 1024 CB SER A 73 0.448 2.509 5.284 1.00 0.00 C ATOM 1025 OG SER A 73 -0.532 3.531 5.247 1.00 0.00 O ATOM 0 H SER A 73 2.622 1.032 3.539 1.00 0.00 H new ATOM 0 HA SER A 73 -0.089 1.769 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.073 1.662 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.338 2.873 5.797 1.00 0.00 H new ATOM 0 HG SER A 73 -1.266 3.303 5.855 1.00 0.00 H new ATOM 1031 N CYS A 74 0.750 3.796 2.191 1.00 0.00 N ATOM 1032 CA CYS A 74 1.270 4.901 1.395 1.00 0.00 C ATOM 1033 C CYS A 74 1.185 6.215 2.167 1.00 0.00 C ATOM 1034 O CYS A 74 0.110 6.618 2.611 1.00 0.00 O ATOM 1035 CB CYS A 74 0.497 5.019 0.080 1.00 0.00 C ATOM 1036 SG CYS A 74 -1.312 4.922 0.269 1.00 0.00 S ATOM 0 H CYS A 74 -0.213 3.538 1.975 1.00 0.00 H new ATOM 0 HA CYS A 74 2.318 4.696 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.752 5.967 -0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.824 4.227 -0.594 1.00 0.00 H new ATOM 1041 N VAL A 75 2.326 6.878 2.323 1.00 0.00 N ATOM 1042 CA VAL A 75 2.381 8.147 3.040 1.00 0.00 C ATOM 1043 C VAL A 75 2.628 9.308 2.084 1.00 0.00 C ATOM 1044 O VAL A 75 3.772 9.683 1.829 1.00 0.00 O ATOM 1045 CB VAL A 75 3.485 8.137 4.114 1.00 0.00 C ATOM 1046 CG1 VAL A 75 3.572 9.490 4.804 1.00 0.00 C ATOM 1047 CG2 VAL A 75 3.234 7.029 5.126 1.00 0.00 C ATOM 0 H VAL A 75 3.225 6.558 1.963 1.00 0.00 H new ATOM 0 HA VAL A 75 1.414 8.279 3.525 1.00 0.00 H new ATOM 0 HB VAL A 75 4.440 7.943 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.357 9.463 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.803 10.260 4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.618 9.718 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.024 7.037 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.271 7.190 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.227 6.065 4.616 1.00 0.00 H new ATOM 1057 N ALA A 76 1.547 9.874 1.558 1.00 0.00 N ATOM 1058 CA ALA A 76 1.646 10.995 0.631 1.00 0.00 C ATOM 1059 C ALA A 76 1.844 12.309 1.379 1.00 0.00 C ATOM 1060 O ALA A 76 1.726 12.364 2.603 1.00 0.00 O ATOM 1061 CB ALA A 76 0.404 11.066 -0.245 1.00 0.00 C ATOM 0 H ALA A 76 0.593 9.575 1.758 1.00 0.00 H new ATOM 0 HA ALA A 76 2.517 10.834 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.491 11.907 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.307 10.141 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.477 11.200 0.383 1.00 0.00 H new ATOM 1067 N THR A 77 2.147 13.368 0.634 1.00 0.00 N ATOM 1068 CA THR A 77 2.363 14.682 1.227 1.00 0.00 C ATOM 1069 C THR A 77 2.393 15.769 0.158 1.00 0.00 C ATOM 1070 O THR A 77 3.236 15.748 -0.739 1.00 0.00 O ATOM 1071 CB THR A 77 3.678 14.728 2.027 1.00 0.00 C ATOM 1072 OG1 THR A 77 3.817 16.000 2.670 1.00 0.00 O ATOM 1073 CG2 THR A 77 4.873 14.480 1.119 1.00 0.00 C ATOM 0 H THR A 77 2.248 13.341 -0.381 1.00 0.00 H new ATOM 0 HA THR A 77 1.528 14.865 1.904 1.00 0.00 H new ATOM 0 HB THR A 77 3.646 13.942 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.655 16.020 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.790 14.517 1.707 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.779 13.498 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.907 15.246 0.345 1.00 0.00 H new ATOM 1081 N HIS A 78 1.470 16.719 0.261 1.00 0.00 N ATOM 1082 CA HIS A 78 1.392 17.816 -0.697 1.00 0.00 C ATOM 1083 C HIS A 78 0.800 19.064 -0.048 1.00 0.00 C ATOM 1084 O HIS A 78 0.100 18.977 0.961 1.00 0.00 O ATOM 1085 CB HIS A 78 0.549 17.407 -1.906 1.00 0.00 C ATOM 1086 CG HIS A 78 -0.530 16.422 -1.578 1.00 0.00 C ATOM 1087 ND1 HIS A 78 -1.130 16.348 -0.339 1.00 0.00 N ATOM 1088 CD2 HIS A 78 -1.117 15.467 -2.337 1.00 0.00 C ATOM 1089 CE1 HIS A 78 -2.039 15.389 -0.349 1.00 0.00 C ATOM 1090 NE2 HIS A 78 -2.051 14.839 -1.550 1.00 0.00 N ATOM 0 H HIS A 78 0.766 16.752 0.998 1.00 0.00 H new ATOM 0 HA HIS A 78 2.404 18.047 -1.030 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.096 18.298 -2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.202 16.978 -2.666 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.893 15.241 -3.369 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.665 15.103 0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.656 14.072 -1.845 1.00 0.00 H new ATOM 1099 N SER A 79 1.086 20.222 -0.634 1.00 0.00 N ATOM 1100 CA SER A 79 0.585 21.488 -0.110 1.00 0.00 C ATOM 1101 C SER A 79 -0.821 21.322 0.458 1.00 0.00 C ATOM 1102 O SER A 79 -1.106 21.752 1.576 1.00 0.00 O ATOM 1103 CB SER A 79 0.582 22.553 -1.208 1.00 0.00 C ATOM 1104 OG SER A 79 0.117 23.796 -0.711 1.00 0.00 O ATOM 0 H SER A 79 1.662 20.310 -1.471 1.00 0.00 H new ATOM 0 HA SER A 79 1.247 21.808 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.589 22.671 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.052 22.228 -2.033 1.00 0.00 H new ATOM 0 HG SER A 79 0.126 24.460 -1.431 1.00 0.00 H new ATOM 1110 N SER A 80 -1.697 20.696 -0.321 1.00 0.00 N ATOM 1111 CA SER A 80 -3.076 20.477 0.101 1.00 0.00 C ATOM 1112 C SER A 80 -3.125 19.866 1.498 1.00 0.00 C ATOM 1113 O SER A 80 -3.923 20.278 2.341 1.00 0.00 O ATOM 1114 CB SER A 80 -3.797 19.564 -0.893 1.00 0.00 C ATOM 1115 OG SER A 80 -4.349 20.311 -1.963 1.00 0.00 O ATOM 0 H SER A 80 -1.477 20.331 -1.248 1.00 0.00 H new ATOM 0 HA SER A 80 -3.580 21.443 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.099 18.824 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.588 19.017 -0.381 1.00 0.00 H new ATOM 0 HG SER A 80 -4.803 19.705 -2.585 1.00 0.00 H new ATOM 1121 N HIS A 81 -2.266 18.880 1.737 1.00 0.00 N ATOM 1122 CA HIS A 81 -2.210 18.211 3.032 1.00 0.00 C ATOM 1123 C HIS A 81 -0.803 17.694 3.316 1.00 0.00 C ATOM 1124 O HIS A 81 -0.156 17.116 2.444 1.00 0.00 O ATOM 1125 CB HIS A 81 -3.210 17.055 3.076 1.00 0.00 C ATOM 1126 CG HIS A 81 -3.757 16.789 4.445 1.00 0.00 C ATOM 1127 ND1 HIS A 81 -5.069 16.431 4.674 1.00 0.00 N ATOM 1128 CD2 HIS A 81 -3.161 16.827 5.659 1.00 0.00 C ATOM 1129 CE1 HIS A 81 -5.257 16.263 5.971 1.00 0.00 C ATOM 1130 NE2 HIS A 81 -4.114 16.497 6.591 1.00 0.00 N ATOM 0 H HIS A 81 -1.599 18.527 1.051 1.00 0.00 H new ATOM 0 HA HIS A 81 -2.473 18.938 3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -4.036 17.274 2.400 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.725 16.152 2.705 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.128 17.071 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.187 15.982 6.444 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.964 16.442 7.598 1.00 0.00 H new ATOM 1139 N GLY A 82 -0.336 17.907 4.543 1.00 0.00 N ATOM 1140 CA GLY A 82 0.992 17.457 4.919 1.00 0.00 C ATOM 1141 C GLY A 82 1.160 15.958 4.770 1.00 0.00 C ATOM 1142 O GLY A 82 0.626 15.340 3.848 1.00 0.00 O ATOM 0 H GLY A 82 -0.853 18.383 5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.733 17.966 4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.189 17.741 5.953 1.00 0.00 H new ATOM 1146 N PRO A 83 1.919 15.348 5.692 1.00 0.00 N ATOM 1147 CA PRO A 83 2.175 13.905 5.680 1.00 0.00 C ATOM 1148 C PRO A 83 0.931 13.093 6.026 1.00 0.00 C ATOM 1149 O PRO A 83 0.572 12.959 7.195 1.00 0.00 O ATOM 1150 CB PRO A 83 3.247 13.725 6.757 1.00 0.00 C ATOM 1151 CG PRO A 83 3.056 14.881 7.678 1.00 0.00 C ATOM 1152 CD PRO A 83 2.586 16.022 6.819 1.00 0.00 C ATOM 0 HA PRO A 83 2.479 13.554 4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.126 12.777 7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.247 13.725 6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.324 14.647 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.987 15.133 8.186 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.901 16.676 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.418 16.641 6.482 1.00 0.00 H new ATOM 1160 N GLN A 84 0.279 12.553 5.001 1.00 0.00 N ATOM 1161 CA GLN A 84 -0.925 11.755 5.199 1.00 0.00 C ATOM 1162 C GLN A 84 -0.609 10.265 5.122 1.00 0.00 C ATOM 1163 O GLN A 84 0.495 9.874 4.744 1.00 0.00 O ATOM 1164 CB GLN A 84 -1.981 12.118 4.153 1.00 0.00 C ATOM 1165 CG GLN A 84 -2.891 13.259 4.579 1.00 0.00 C ATOM 1166 CD GLN A 84 -4.083 13.430 3.657 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -5.217 13.125 4.027 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -3.831 13.921 2.449 1.00 0.00 N ATOM 0 H GLN A 84 0.564 12.653 4.027 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.316 11.975 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.481 12.390 3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.589 11.238 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.245 13.077 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.318 14.186 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.875 14.160 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.593 14.059 1.785 1.00 0.00 H new ATOM 1177 N GLU A 85 -1.585 9.438 5.483 1.00 0.00 N ATOM 1178 CA GLU A 85 -1.408 7.991 5.456 1.00 0.00 C ATOM 1179 C GLU A 85 -2.739 7.285 5.214 1.00 0.00 C ATOM 1180 O GLU A 85 -3.737 7.573 5.875 1.00 0.00 O ATOM 1181 CB GLU A 85 -0.793 7.505 6.770 1.00 0.00 C ATOM 1182 CG GLU A 85 -0.218 6.101 6.690 1.00 0.00 C ATOM 1183 CD GLU A 85 0.320 5.614 8.022 1.00 0.00 C ATOM 1184 OE1 GLU A 85 -0.374 5.796 9.044 1.00 0.00 O ATOM 1185 OE2 GLU A 85 1.435 5.052 8.042 1.00 0.00 O ATOM 0 H GLU A 85 -2.506 9.745 5.797 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.733 7.749 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.004 8.195 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.554 7.533 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.991 5.415 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.582 6.082 5.950 1.00 0.00 H new ATOM 1192 N SER A 86 -2.746 6.359 4.260 1.00 0.00 N ATOM 1193 CA SER A 86 -3.955 5.614 3.927 1.00 0.00 C ATOM 1194 C SER A 86 -4.202 4.499 4.937 1.00 0.00 C ATOM 1195 O SER A 86 -3.488 4.378 5.933 1.00 0.00 O ATOM 1196 CB SER A 86 -3.845 5.027 2.518 1.00 0.00 C ATOM 1197 OG SER A 86 -2.871 3.999 2.469 1.00 0.00 O ATOM 0 H SER A 86 -1.929 6.107 3.704 1.00 0.00 H new ATOM 0 HA SER A 86 -4.798 6.304 3.961 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.812 4.631 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.583 5.815 1.812 1.00 0.00 H new ATOM 0 HG SER A 86 -2.495 3.947 1.565 1.00 0.00 H new ATOM 1203 N ARG A 87 -5.220 3.685 4.674 1.00 0.00 N ATOM 1204 CA ARG A 87 -5.563 2.579 5.560 1.00 0.00 C ATOM 1205 C ARG A 87 -4.481 1.504 5.532 1.00 0.00 C ATOM 1206 O ARG A 87 -4.247 0.872 4.502 1.00 0.00 O ATOM 1207 CB ARG A 87 -6.909 1.975 5.158 1.00 0.00 C ATOM 1208 CG ARG A 87 -8.105 2.799 5.605 1.00 0.00 C ATOM 1209 CD ARG A 87 -8.462 3.865 4.581 1.00 0.00 C ATOM 1210 NE ARG A 87 -9.500 4.768 5.070 1.00 0.00 N ATOM 1211 CZ ARG A 87 -10.798 4.491 5.023 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -11.215 3.341 4.511 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -11.682 5.364 5.488 1.00 0.00 N ATOM 0 H ARG A 87 -5.821 3.771 3.855 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.636 2.969 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.939 1.865 4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.989 0.974 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.961 2.143 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.885 3.272 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.570 4.440 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.801 3.386 3.663 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.212 5.661 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.538 2.667 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.212 3.130 4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.365 6.250 5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.679 5.150 5.451 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.825 1.301 6.670 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.770 0.302 6.775 1.00 0.00 C ATOM 1229 C ALA A 88 -3.216 -1.032 6.186 1.00 0.00 C ATOM 1230 O ALA A 88 -4.265 -1.564 6.551 1.00 0.00 O ATOM 1231 CB ALA A 88 -2.352 0.126 8.228 1.00 0.00 C ATOM 0 H ALA A 88 -4.006 1.816 7.532 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.912 0.654 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.563 -0.623 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.983 1.075 8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.210 -0.200 8.816 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.413 -1.569 5.273 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.725 -2.842 4.634 1.00 0.00 C ATOM 1239 C VAL A 89 -1.860 -3.965 5.194 1.00 0.00 C ATOM 1240 O VAL A 89 -0.636 -3.941 5.068 1.00 0.00 O ATOM 1241 CB VAL A 89 -2.526 -2.767 3.108 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.081 -2.429 2.774 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -2.942 -4.075 2.452 1.00 0.00 C ATOM 0 H VAL A 89 -1.541 -1.142 4.959 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.773 -3.055 4.847 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.160 -1.972 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.959 -2.380 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.822 -1.465 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.424 -3.199 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.795 -4.004 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.336 -4.890 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.994 -4.269 2.663 1.00 0.00 H new ATOM 1253 N SER A 90 -2.505 -4.949 5.813 1.00 0.00 N ATOM 1254 CA SER A 90 -1.794 -6.081 6.396 1.00 0.00 C ATOM 1255 C SER A 90 -1.741 -7.251 5.418 1.00 0.00 C ATOM 1256 O SER A 90 -2.713 -7.993 5.268 1.00 0.00 O ATOM 1257 CB SER A 90 -2.469 -6.519 7.697 1.00 0.00 C ATOM 1258 OG SER A 90 -3.838 -6.819 7.485 1.00 0.00 O ATOM 0 H SER A 90 -3.518 -4.985 5.924 1.00 0.00 H new ATOM 0 HA SER A 90 -0.774 -5.765 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.959 -7.395 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.378 -5.728 8.442 1.00 0.00 H new ATOM 0 HG SER A 90 -3.937 -7.325 6.651 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.600 -7.409 4.756 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.420 -8.489 3.794 1.00 0.00 C ATOM 1266 C ILE A 91 -0.112 -9.806 4.497 1.00 0.00 C ATOM 1267 O ILE A 91 0.980 -9.995 5.034 1.00 0.00 O ATOM 1268 CB ILE A 91 0.714 -8.173 2.800 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.353 -6.952 1.952 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.991 -9.377 1.912 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -0.727 -7.224 0.929 1.00 0.00 C ATOM 0 H ILE A 91 0.213 -6.803 4.868 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.358 -8.584 3.246 1.00 0.00 H new ATOM 0 HB ILE A 91 1.619 -7.946 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.024 -6.147 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.247 -6.599 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.794 -9.138 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.287 -10.225 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.090 -9.632 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.931 -6.314 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.394 -8.007 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.636 -7.548 1.437 1.00 0.00 H new ATOM 1283 N SER A 92 -1.081 -10.716 4.489 1.00 0.00 N ATOM 1284 CA SER A 92 -0.915 -12.016 5.127 1.00 0.00 C ATOM 1285 C SER A 92 -1.018 -13.142 4.103 1.00 0.00 C ATOM 1286 O SER A 92 -1.419 -12.920 2.960 1.00 0.00 O ATOM 1287 CB SER A 92 -1.966 -12.208 6.222 1.00 0.00 C ATOM 1288 OG SER A 92 -1.860 -11.202 7.214 1.00 0.00 O ATOM 0 H SER A 92 -1.990 -10.576 4.047 1.00 0.00 H new ATOM 0 HA SER A 92 0.078 -12.048 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.963 -12.185 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.843 -13.189 6.680 1.00 0.00 H new ATOM 0 HG SER A 92 -2.544 -11.347 7.901 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.655 -14.349 4.522 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.708 -15.510 3.642 1.00 0.00 C ATOM 1296 C ILE A 93 -2.042 -16.237 3.770 1.00 0.00 C ATOM 1297 O ILE A 93 -2.526 -16.477 4.877 1.00 0.00 O ATOM 1298 CB ILE A 93 0.433 -16.499 3.946 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.790 -15.806 3.804 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.349 -17.705 3.022 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.932 -16.578 4.427 1.00 0.00 C ATOM 0 H ILE A 93 -0.321 -14.549 5.465 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.595 -15.139 2.623 1.00 0.00 H new ATOM 0 HB ILE A 93 0.329 -16.845 4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.001 -15.652 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.735 -14.820 4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.162 -18.395 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.606 -18.209 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.431 -17.376 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.862 -16.027 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.744 -16.709 5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.014 -17.555 3.950 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.631 -16.586 2.632 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.909 -17.288 2.617 1.00 0.00 C ATOM 1315 C ILE A 94 -3.708 -18.797 2.704 1.00 0.00 C ATOM 1316 O ILE A 94 -2.813 -19.351 2.066 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.716 -16.961 1.346 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -4.858 -15.447 1.182 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -6.084 -17.624 1.403 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.462 -15.037 -0.143 1.00 0.00 C ATOM 0 H ILE A 94 -2.244 -16.394 1.708 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.467 -16.947 3.489 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.180 -17.352 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.478 -15.059 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.876 -14.985 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.643 -17.384 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.962 -18.705 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.629 -17.259 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.533 -13.950 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.831 -15.395 -0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.458 -15.470 -0.238 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.547 -19.456 3.496 1.00 0.00 N ATOM 1333 CA GLU A 95 -4.462 -20.902 3.665 1.00 0.00 C ATOM 1334 C GLU A 95 -5.120 -21.626 2.495 1.00 0.00 C ATOM 1335 O GLU A 95 -6.170 -21.223 1.994 1.00 0.00 O ATOM 1336 CB GLU A 95 -5.124 -21.324 4.978 1.00 0.00 C ATOM 1337 CG GLU A 95 -6.621 -21.064 5.016 1.00 0.00 C ATOM 1338 CD GLU A 95 -7.149 -20.902 6.428 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -6.695 -19.974 7.129 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -8.018 -21.704 6.831 1.00 0.00 O ATOM 0 H GLU A 95 -5.293 -19.012 4.031 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.408 -21.177 3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.944 -22.387 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.650 -20.791 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.844 -20.164 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.142 -21.889 4.530 1.00 0.00 H new ATOM 1347 N PRO A 96 -4.489 -22.721 2.046 1.00 0.00 N ATOM 1348 CA PRO A 96 -4.994 -23.526 0.930 1.00 0.00 C ATOM 1349 C PRO A 96 -6.265 -24.287 1.293 1.00 0.00 C ATOM 1350 O PRO A 96 -7.071 -23.821 2.098 1.00 0.00 O ATOM 1351 CB PRO A 96 -3.849 -24.501 0.648 1.00 0.00 C ATOM 1352 CG PRO A 96 -3.115 -24.607 1.940 1.00 0.00 C ATOM 1353 CD PRO A 96 -3.233 -23.259 2.596 1.00 0.00 C ATOM 0 HA PRO A 96 -5.267 -22.909 0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.226 -25.472 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.201 -24.131 -0.146 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.544 -25.386 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -2.070 -24.870 1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.273 -23.343 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -2.383 -22.620 2.357 1.00 0.00 H new TER 1361 PRO A 96