USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl -179:sc= -1.23 (180deg=-0.871) USER MOD Set 1.2: A 60 MET CE :methyl 162:sc= -1.71 (180deg=-2.83!) USER MOD Set 2.1: A 38 THR OG1 : rot 150:sc= -0.118 USER MOD Set 2.2: A 58 GLN : amide:sc= -0.494 X(o=-0.61,f=-0.46) USER MOD Set 3.1: A 35 CYS SG : rot -105:sc= -1.27 USER MOD Set 3.2: A 69 SER OG : rot 113:sc= 0.307 USER MOD Set 3.3: A 71 THR OG1 : rot 28:sc= 0.652! USER MOD Set 4.1: A 18 ASN : amide:sc= 0.204 K(o=0.59,f=-1.2) USER MOD Set 4.2: A 21 LYS NZ :NH3+ -107:sc= 0.384 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.46 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.365 K(o=0.37,f=-0.17) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 16 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.11) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.0401 (180deg=-0.0489) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -174:sc= -0.313 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -129:sc= -0.792 (180deg=-2.33!) USER MOD Single : A 50 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.48) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.653 USER MOD Single : A 80 MET CE :methyl -175:sc= -2.59 (180deg=-2.65) USER MOD Single : A 81 MET CE :methyl 147:sc= -0.575 (180deg=-2.96) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -174:sc= 0 (180deg=-0.02) USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= 0.351 (180deg=0.148) USER MOD Single : A 89 SER OG : rot 160:sc= -0.0586 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.304 5.001 8.806 1.00 0.00 N ATOM 2 CA MET A 1 -6.894 4.535 8.654 1.00 0.00 C ATOM 3 C MET A 1 -6.406 4.836 7.235 1.00 0.00 C ATOM 4 O MET A 1 -6.725 4.111 6.289 1.00 0.00 O ATOM 5 CB MET A 1 -6.820 3.025 8.915 1.00 0.00 C ATOM 6 CG MET A 1 -6.906 2.755 10.420 1.00 0.00 C ATOM 7 SD MET A 1 -6.315 1.079 10.766 1.00 0.00 S ATOM 8 CE MET A 1 -7.245 0.818 12.297 1.00 0.00 C ATOM 0 H1 MET A 1 -8.635 4.796 9.770 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.351 6.026 8.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.909 4.506 8.120 1.00 0.00 H new ATOM 0 HA MET A 1 -6.261 5.056 9.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.634 2.517 8.398 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.889 2.623 8.517 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.307 3.484 10.966 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.935 2.868 10.762 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.026 -0.174 12.691 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.957 1.571 13.030 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.313 0.900 12.093 1.00 0.00 H new ATOM 20 N ASN A 2 -5.632 5.921 7.104 1.00 0.00 N ATOM 21 CA ASN A 2 -5.091 6.336 5.803 1.00 0.00 C ATOM 22 C ASN A 2 -6.221 6.529 4.784 1.00 0.00 C ATOM 23 O ASN A 2 -6.359 5.764 3.826 1.00 0.00 O ATOM 24 CB ASN A 2 -4.090 5.297 5.275 1.00 0.00 C ATOM 25 CG ASN A 2 -2.785 5.393 6.062 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.402 4.450 6.755 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.070 6.486 5.999 1.00 0.00 N ATOM 0 H ASN A 2 -5.367 6.526 7.881 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.574 7.285 5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.509 4.295 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.900 5.467 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.198 6.556 6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.385 7.269 5.426 1.00 0.00 H new ATOM 34 N ASP A 3 -7.028 7.568 5.011 1.00 0.00 N ATOM 35 CA ASP A 3 -8.154 7.872 4.119 1.00 0.00 C ATOM 36 C ASP A 3 -7.734 8.809 2.975 1.00 0.00 C ATOM 37 O ASP A 3 -8.446 8.929 1.977 1.00 0.00 O ATOM 38 CB ASP A 3 -9.303 8.524 4.902 1.00 0.00 C ATOM 39 CG ASP A 3 -8.867 9.888 5.440 1.00 0.00 C ATOM 40 OD1 ASP A 3 -8.263 9.920 6.500 1.00 0.00 O ATOM 41 OD2 ASP A 3 -9.142 10.878 4.783 1.00 0.00 O ATOM 0 H ASP A 3 -6.926 8.209 5.798 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.488 6.926 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.173 8.641 4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.603 7.878 5.727 1.00 0.00 H new ATOM 46 N ILE A 4 -6.581 9.476 3.132 1.00 0.00 N ATOM 47 CA ILE A 4 -6.090 10.408 2.103 1.00 0.00 C ATOM 48 C ILE A 4 -5.956 9.717 0.741 1.00 0.00 C ATOM 49 O ILE A 4 -6.171 10.338 -0.301 1.00 0.00 O ATOM 50 CB ILE A 4 -4.735 11.037 2.495 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.604 9.982 2.490 1.00 0.00 C ATOM 52 CG2 ILE A 4 -4.841 11.687 3.881 1.00 0.00 C ATOM 53 CD1 ILE A 4 -3.696 9.067 3.718 1.00 0.00 C ATOM 0 H ILE A 4 -5.977 9.390 3.950 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.832 11.203 2.028 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.489 11.799 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.665 9.383 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.636 10.482 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.881 12.128 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.605 12.464 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.112 10.931 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.889 8.335 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.610 9.665 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.655 8.549 3.715 1.00 0.00 H new ATOM 65 N TYR A 5 -5.611 8.426 0.761 1.00 0.00 N ATOM 66 CA TYR A 5 -5.460 7.658 -0.480 1.00 0.00 C ATOM 67 C TYR A 5 -6.820 7.465 -1.157 1.00 0.00 C ATOM 68 O TYR A 5 -6.935 7.560 -2.381 1.00 0.00 O ATOM 69 CB TYR A 5 -4.840 6.283 -0.198 1.00 0.00 C ATOM 70 CG TYR A 5 -3.474 6.461 0.428 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.388 6.867 -0.358 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.297 6.224 1.795 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.128 7.034 0.224 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.035 6.391 2.377 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.950 6.796 1.592 1.00 0.00 C ATOM 76 OH TYR A 5 0.294 6.959 2.165 1.00 0.00 O ATOM 0 H TYR A 5 -5.432 7.895 1.613 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.800 8.219 -1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.485 5.712 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.756 5.714 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.524 7.051 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.134 5.912 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.291 7.347 -0.382 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.899 6.207 3.432 1.00 0.00 H new ATOM 0 HH TYR A 5 0.243 6.754 3.122 1.00 0.00 H new ATOM 86 N LYS A 6 -7.849 7.204 -0.342 1.00 0.00 N ATOM 87 CA LYS A 6 -9.206 7.010 -0.862 1.00 0.00 C ATOM 88 C LYS A 6 -9.788 8.334 -1.372 1.00 0.00 C ATOM 89 O LYS A 6 -10.614 8.348 -2.285 1.00 0.00 O ATOM 90 CB LYS A 6 -10.127 6.451 0.227 1.00 0.00 C ATOM 91 CG LYS A 6 -9.930 4.935 0.344 1.00 0.00 C ATOM 92 CD LYS A 6 -9.008 4.622 1.528 1.00 0.00 C ATOM 93 CE LYS A 6 -7.601 4.299 1.017 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.430 2.820 0.915 1.00 0.00 N ATOM 0 H LYS A 6 -7.769 7.123 0.672 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.144 6.300 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.910 6.930 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.167 6.675 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.893 4.443 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.500 4.543 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.972 5.473 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.402 3.778 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.443 4.761 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.854 4.715 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.474 2.604 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.563 2.390 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.134 2.434 0.254 1.00 0.00 H new ATOM 108 N ALA A 7 -9.343 9.446 -0.773 1.00 0.00 N ATOM 109 CA ALA A 7 -9.820 10.772 -1.175 1.00 0.00 C ATOM 110 C ALA A 7 -9.299 11.146 -2.568 1.00 0.00 C ATOM 111 O ALA A 7 -9.947 11.897 -3.295 1.00 0.00 O ATOM 112 CB ALA A 7 -9.361 11.833 -0.171 1.00 0.00 C ATOM 0 H ALA A 7 -8.660 9.453 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.909 10.736 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.724 12.812 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.760 11.597 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.272 11.846 -0.128 1.00 0.00 H new ATOM 118 N ALA A 8 -8.124 10.619 -2.928 1.00 0.00 N ATOM 119 CA ALA A 8 -7.529 10.910 -4.234 1.00 0.00 C ATOM 120 C ALA A 8 -8.118 10.009 -5.319 1.00 0.00 C ATOM 121 O ALA A 8 -8.415 10.470 -6.421 1.00 0.00 O ATOM 122 CB ALA A 8 -6.017 10.700 -4.190 1.00 0.00 C ATOM 0 H ALA A 8 -7.572 9.995 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.752 11.950 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.590 10.921 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.579 11.364 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.801 9.665 -3.925 1.00 0.00 H new ATOM 128 N VAL A 9 -8.280 8.722 -4.999 1.00 0.00 N ATOM 129 CA VAL A 9 -8.835 7.762 -5.961 1.00 0.00 C ATOM 130 C VAL A 9 -10.296 8.097 -6.304 1.00 0.00 C ATOM 131 O VAL A 9 -10.790 7.726 -7.371 1.00 0.00 O ATOM 132 CB VAL A 9 -8.741 6.326 -5.413 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.717 6.135 -4.250 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.079 5.329 -6.527 1.00 0.00 C ATOM 0 H VAL A 9 -8.038 8.323 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.243 7.832 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.726 6.152 -5.057 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.639 5.115 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.474 6.836 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.735 6.317 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.012 4.313 -6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.091 5.514 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.374 5.450 -7.350 1.00 0.00 H new ATOM 144 N GLU A 10 -10.981 8.801 -5.396 1.00 0.00 N ATOM 145 CA GLU A 10 -12.374 9.177 -5.630 1.00 0.00 C ATOM 146 C GLU A 10 -12.478 10.425 -6.520 1.00 0.00 C ATOM 147 O GLU A 10 -13.529 10.682 -7.109 1.00 0.00 O ATOM 148 CB GLU A 10 -13.091 9.434 -4.298 1.00 0.00 C ATOM 149 CG GLU A 10 -12.511 10.677 -3.612 1.00 0.00 C ATOM 150 CD GLU A 10 -13.624 11.434 -2.896 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.242 12.276 -3.528 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.841 11.164 -1.726 1.00 0.00 O ATOM 0 H GLU A 10 -10.598 9.117 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.855 8.346 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.158 9.571 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.983 8.567 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.740 10.385 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.035 11.323 -4.350 1.00 0.00 H new ATOM 159 N GLN A 11 -11.382 11.195 -6.618 1.00 0.00 N ATOM 160 CA GLN A 11 -11.387 12.404 -7.448 1.00 0.00 C ATOM 161 C GLN A 11 -10.139 12.473 -8.342 1.00 0.00 C ATOM 162 O GLN A 11 -9.676 13.560 -8.700 1.00 0.00 O ATOM 163 CB GLN A 11 -11.466 13.662 -6.569 1.00 0.00 C ATOM 164 CG GLN A 11 -10.172 13.828 -5.762 1.00 0.00 C ATOM 165 CD GLN A 11 -10.367 14.902 -4.691 1.00 0.00 C ATOM 166 OE1 GLN A 11 -10.986 15.936 -4.942 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.867 14.718 -3.499 1.00 0.00 N ATOM 0 H GLN A 11 -10.500 11.005 -6.142 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.267 12.359 -8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.629 14.541 -7.193 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.318 13.589 -5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.899 12.881 -5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.352 14.106 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.354 13.862 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.990 15.430 -2.779 1.00 0.00 H new ATOM 176 N LEU A 12 -9.603 11.302 -8.703 1.00 0.00 N ATOM 177 CA LEU A 12 -8.409 11.245 -9.559 1.00 0.00 C ATOM 178 C LEU A 12 -8.758 11.619 -11.002 1.00 0.00 C ATOM 179 O LEU A 12 -9.924 11.837 -11.339 1.00 0.00 O ATOM 180 CB LEU A 12 -7.768 9.845 -9.543 1.00 0.00 C ATOM 181 CG LEU A 12 -8.730 8.655 -9.428 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.831 8.762 -10.487 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.955 7.352 -9.636 1.00 0.00 C ATOM 0 H LEU A 12 -9.969 10.392 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.694 11.963 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.185 9.726 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.067 9.800 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.185 8.662 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.507 7.912 -10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.388 9.687 -10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.382 8.763 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.637 6.506 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.497 7.355 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.178 7.266 -8.877 1.00 0.00 H new ATOM 195 N THR A 13 -7.729 11.689 -11.850 1.00 0.00 N ATOM 196 CA THR A 13 -7.930 12.037 -13.259 1.00 0.00 C ATOM 197 C THR A 13 -8.101 10.777 -14.103 1.00 0.00 C ATOM 198 O THR A 13 -7.783 9.666 -13.669 1.00 0.00 O ATOM 199 CB THR A 13 -6.738 12.836 -13.809 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.575 12.572 -13.034 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.055 14.330 -13.769 1.00 0.00 C ATOM 0 H THR A 13 -6.759 11.512 -11.590 1.00 0.00 H new ATOM 0 HA THR A 13 -8.831 12.648 -13.316 1.00 0.00 H new ATOM 0 HB THR A 13 -6.554 12.534 -14.840 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.820 13.084 -13.392 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.207 14.892 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.936 14.531 -14.378 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.248 14.633 -12.740 1.00 0.00 H new ATOM 209 N ASP A 14 -8.585 10.974 -15.330 1.00 0.00 N ATOM 210 CA ASP A 14 -8.776 9.862 -16.261 1.00 0.00 C ATOM 211 C ASP A 14 -7.418 9.360 -16.755 1.00 0.00 C ATOM 212 O ASP A 14 -7.251 8.178 -17.059 1.00 0.00 O ATOM 213 CB ASP A 14 -9.619 10.306 -17.460 1.00 0.00 C ATOM 214 CG ASP A 14 -10.161 9.085 -18.201 1.00 0.00 C ATOM 215 OD1 ASP A 14 -10.867 8.301 -17.584 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.866 8.953 -19.376 1.00 0.00 O ATOM 0 H ASP A 14 -8.850 11.887 -15.700 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.296 9.059 -15.739 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.445 10.932 -17.122 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.015 10.912 -18.135 1.00 0.00 H new ATOM 221 N GLU A 15 -6.450 10.284 -16.819 1.00 0.00 N ATOM 222 CA GLU A 15 -5.096 9.948 -17.263 1.00 0.00 C ATOM 223 C GLU A 15 -4.392 9.056 -16.237 1.00 0.00 C ATOM 224 O GLU A 15 -3.566 8.215 -16.594 1.00 0.00 O ATOM 225 CB GLU A 15 -4.277 11.228 -17.479 1.00 0.00 C ATOM 226 CG GLU A 15 -3.971 11.903 -16.136 1.00 0.00 C ATOM 227 CD GLU A 15 -3.010 13.067 -16.355 1.00 0.00 C ATOM 228 OE1 GLU A 15 -1.813 12.824 -16.372 1.00 0.00 O ATOM 229 OE2 GLU A 15 -3.484 14.182 -16.502 1.00 0.00 O ATOM 0 H GLU A 15 -6.581 11.264 -16.570 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.174 9.404 -18.205 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.346 10.989 -17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.828 11.915 -18.121 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.894 12.261 -15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.533 11.181 -15.446 1.00 0.00 H new ATOM 236 N GLN A 16 -4.735 9.249 -14.958 1.00 0.00 N ATOM 237 CA GLN A 16 -4.143 8.459 -13.877 1.00 0.00 C ATOM 238 C GLN A 16 -4.585 7.003 -13.984 1.00 0.00 C ATOM 239 O GLN A 16 -3.774 6.083 -13.855 1.00 0.00 O ATOM 240 CB GLN A 16 -4.574 9.009 -12.513 1.00 0.00 C ATOM 241 CG GLN A 16 -3.367 9.071 -11.573 1.00 0.00 C ATOM 242 CD GLN A 16 -3.807 8.723 -10.154 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.402 7.697 -9.605 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.622 9.523 -9.521 1.00 0.00 N ATOM 0 H GLN A 16 -5.416 9.942 -14.649 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.059 8.521 -13.968 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.006 10.003 -12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.349 8.374 -12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.597 8.376 -11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.927 10.068 -11.594 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.958 10.373 -9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.923 9.298 -8.573 1.00 0.00 H new ATOM 253 N LYS A 17 -5.885 6.809 -14.228 1.00 0.00 N ATOM 254 CA LYS A 17 -6.443 5.464 -14.362 1.00 0.00 C ATOM 255 C LYS A 17 -5.930 4.798 -15.637 1.00 0.00 C ATOM 256 O LYS A 17 -5.566 3.626 -15.629 1.00 0.00 O ATOM 257 CB LYS A 17 -7.974 5.509 -14.416 1.00 0.00 C ATOM 258 CG LYS A 17 -8.525 6.186 -13.156 1.00 0.00 C ATOM 259 CD LYS A 17 -9.705 7.087 -13.536 1.00 0.00 C ATOM 260 CE LYS A 17 -10.951 6.231 -13.787 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.138 6.034 -15.255 1.00 0.00 N ATOM 0 H LYS A 17 -6.565 7.562 -14.336 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.128 4.890 -13.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.299 6.054 -15.303 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.373 4.498 -14.499 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.845 5.433 -12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.744 6.775 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.899 7.803 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.462 7.663 -14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.847 5.266 -13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.829 6.716 -13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.099 5.681 -15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.002 6.940 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.443 5.343 -15.604 1.00 0.00 H new ATOM 275 N ASN A 18 -5.906 5.564 -16.734 1.00 0.00 N ATOM 276 CA ASN A 18 -5.438 5.035 -18.022 1.00 0.00 C ATOM 277 C ASN A 18 -3.950 4.681 -17.968 1.00 0.00 C ATOM 278 O ASN A 18 -3.517 3.705 -18.580 1.00 0.00 O ATOM 279 CB ASN A 18 -5.660 6.056 -19.143 1.00 0.00 C ATOM 280 CG ASN A 18 -7.080 5.925 -19.690 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.578 4.817 -19.892 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.766 7.003 -19.949 1.00 0.00 N ATOM 0 H ASN A 18 -6.201 6.540 -16.758 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.015 4.133 -18.227 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.498 7.065 -18.765 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.937 5.895 -19.942 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.714 6.928 -20.318 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.355 7.921 -19.782 1.00 0.00 H new ATOM 289 N GLU A 19 -3.176 5.486 -17.232 1.00 0.00 N ATOM 290 CA GLU A 19 -1.735 5.252 -17.102 1.00 0.00 C ATOM 291 C GLU A 19 -1.457 3.823 -16.628 1.00 0.00 C ATOM 292 O GLU A 19 -0.609 3.125 -17.188 1.00 0.00 O ATOM 293 CB GLU A 19 -1.123 6.241 -16.101 1.00 0.00 C ATOM 294 CG GLU A 19 0.403 6.109 -16.105 1.00 0.00 C ATOM 295 CD GLU A 19 1.008 7.162 -17.030 1.00 0.00 C ATOM 296 OE1 GLU A 19 1.290 8.249 -16.554 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.179 6.864 -18.201 1.00 0.00 O ATOM 0 H GLU A 19 -3.520 6.299 -16.721 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.283 5.397 -18.083 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.409 7.260 -16.362 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.511 6.047 -15.101 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.791 6.233 -15.094 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.691 5.111 -16.437 1.00 0.00 H new ATOM 304 N PHE A 20 -2.181 3.402 -15.588 1.00 0.00 N ATOM 305 CA PHE A 20 -2.008 2.059 -15.034 1.00 0.00 C ATOM 306 C PHE A 20 -2.856 1.032 -15.787 1.00 0.00 C ATOM 307 O PHE A 20 -2.388 -0.064 -16.081 1.00 0.00 O ATOM 308 CB PHE A 20 -2.414 2.033 -13.561 1.00 0.00 C ATOM 309 CG PHE A 20 -1.311 2.614 -12.707 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.230 1.815 -12.312 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.379 3.951 -12.298 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.780 2.352 -11.510 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.367 4.487 -11.496 1.00 0.00 C ATOM 314 CZ PHE A 20 0.712 3.688 -11.098 1.00 0.00 C ATOM 0 H PHE A 20 -2.887 3.967 -15.116 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.954 1.801 -15.139 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.332 2.602 -13.419 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.623 1.009 -13.251 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.178 0.783 -12.628 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.212 4.568 -12.602 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.614 1.736 -11.208 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.417 5.519 -11.183 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.490 4.102 -10.474 1.00 0.00 H new ATOM 324 N LYS A 21 -4.113 1.393 -16.076 1.00 0.00 N ATOM 325 CA LYS A 21 -5.035 0.486 -16.777 1.00 0.00 C ATOM 326 C LYS A 21 -4.443 -0.013 -18.098 1.00 0.00 C ATOM 327 O LYS A 21 -4.654 -1.164 -18.479 1.00 0.00 O ATOM 328 CB LYS A 21 -6.371 1.186 -17.052 1.00 0.00 C ATOM 329 CG LYS A 21 -7.372 0.189 -17.650 1.00 0.00 C ATOM 330 CD LYS A 21 -7.452 0.382 -19.167 1.00 0.00 C ATOM 331 CE LYS A 21 -8.599 1.338 -19.505 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.341 1.984 -20.823 1.00 0.00 N ATOM 0 H LYS A 21 -4.514 2.300 -15.838 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.198 -0.373 -16.127 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.769 1.604 -16.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.220 2.019 -17.739 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.065 -0.831 -17.420 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.355 0.335 -17.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.510 0.781 -19.543 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.609 -0.578 -19.658 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.543 0.793 -19.534 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.693 2.097 -18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.072 2.978 -20.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.569 1.485 -21.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.202 1.941 -21.405 1.00 0.00 H new ATOM 346 N ALA A 22 -3.700 0.856 -18.791 1.00 0.00 N ATOM 347 CA ALA A 22 -3.083 0.477 -20.065 1.00 0.00 C ATOM 348 C ALA A 22 -2.132 -0.702 -19.859 1.00 0.00 C ATOM 349 O ALA A 22 -2.258 -1.739 -20.514 1.00 0.00 O ATOM 350 CB ALA A 22 -2.298 1.650 -20.654 1.00 0.00 C ATOM 0 H ALA A 22 -3.513 1.814 -18.496 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.878 0.194 -20.754 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.848 1.348 -21.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.972 2.490 -20.825 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.514 1.949 -19.958 1.00 0.00 H new ATOM 356 N ALA A 23 -1.194 -0.530 -18.924 1.00 0.00 N ATOM 357 CA ALA A 23 -0.229 -1.582 -18.607 1.00 0.00 C ATOM 358 C ALA A 23 -0.941 -2.765 -17.950 1.00 0.00 C ATOM 359 O ALA A 23 -0.599 -3.922 -18.182 1.00 0.00 O ATOM 360 CB ALA A 23 0.844 -1.052 -17.651 1.00 0.00 C ATOM 0 H ALA A 23 -1.084 0.324 -18.377 1.00 0.00 H new ATOM 0 HA ALA A 23 0.242 -1.905 -19.535 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.555 -1.847 -17.425 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.369 -0.219 -18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.374 -0.713 -16.728 1.00 0.00 H new ATOM 366 N PHE A 24 -1.945 -2.452 -17.132 1.00 0.00 N ATOM 367 CA PHE A 24 -2.721 -3.478 -16.437 1.00 0.00 C ATOM 368 C PHE A 24 -3.420 -4.405 -17.436 1.00 0.00 C ATOM 369 O PHE A 24 -3.412 -5.621 -17.269 1.00 0.00 O ATOM 370 CB PHE A 24 -3.784 -2.819 -15.547 1.00 0.00 C ATOM 371 CG PHE A 24 -4.291 -3.802 -14.516 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.214 -4.789 -14.880 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.843 -3.720 -13.193 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.688 -5.690 -13.922 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.316 -4.619 -12.236 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.239 -5.604 -12.599 1.00 0.00 C ATOM 0 H PHE A 24 -2.240 -1.496 -16.934 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.033 -4.063 -15.827 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.361 -1.946 -15.050 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.613 -2.466 -16.160 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.560 -4.855 -15.901 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.130 -2.959 -12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.400 -6.452 -14.202 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.969 -4.554 -11.215 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.606 -6.299 -11.858 1.00 0.00 H new ATOM 386 N ASP A 25 -4.034 -3.810 -18.463 1.00 0.00 N ATOM 387 CA ASP A 25 -4.761 -4.587 -19.475 1.00 0.00 C ATOM 388 C ASP A 25 -3.831 -5.483 -20.302 1.00 0.00 C ATOM 389 O ASP A 25 -4.202 -6.600 -20.663 1.00 0.00 O ATOM 390 CB ASP A 25 -5.513 -3.650 -20.426 1.00 0.00 C ATOM 391 CG ASP A 25 -6.698 -4.388 -21.044 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.514 -4.992 -22.090 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.770 -4.338 -20.465 1.00 0.00 O ATOM 0 H ASP A 25 -4.043 -2.802 -18.616 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.461 -5.225 -18.935 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.862 -2.770 -19.885 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.843 -3.297 -21.210 1.00 0.00 H new ATOM 398 N ILE A 26 -2.634 -4.981 -20.613 1.00 0.00 N ATOM 399 CA ILE A 26 -1.676 -5.752 -21.420 1.00 0.00 C ATOM 400 C ILE A 26 -1.004 -6.857 -20.595 1.00 0.00 C ATOM 401 O ILE A 26 -0.734 -7.944 -21.108 1.00 0.00 O ATOM 402 CB ILE A 26 -0.600 -4.835 -22.029 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.116 -4.052 -20.919 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.267 -3.851 -22.997 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.296 -3.271 -21.502 1.00 0.00 C ATOM 0 H ILE A 26 -2.305 -4.059 -20.325 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.243 -6.218 -22.226 1.00 0.00 H new ATOM 0 HB ILE A 26 0.131 -5.443 -22.562 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.582 -3.366 -20.439 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.469 -4.738 -20.149 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.510 -3.199 -23.432 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.768 -4.405 -23.791 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.998 -3.249 -22.457 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.796 -2.720 -20.706 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.000 -3.965 -21.961 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.933 -2.572 -22.255 1.00 0.00 H new ATOM 417 N PHE A 27 -0.736 -6.571 -19.317 1.00 0.00 N ATOM 418 CA PHE A 27 -0.091 -7.556 -18.440 1.00 0.00 C ATOM 419 C PHE A 27 -1.071 -8.660 -18.033 1.00 0.00 C ATOM 420 O PHE A 27 -0.689 -9.830 -17.940 1.00 0.00 O ATOM 421 CB PHE A 27 0.470 -6.884 -17.178 1.00 0.00 C ATOM 422 CG PHE A 27 1.501 -5.837 -17.559 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.259 -5.977 -18.733 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.692 -4.720 -16.737 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.202 -5.002 -19.079 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.634 -3.746 -17.089 1.00 0.00 C ATOM 427 CZ PHE A 27 3.388 -3.887 -18.257 1.00 0.00 C ATOM 0 H PHE A 27 -0.951 -5.679 -18.871 1.00 0.00 H new ATOM 0 HA PHE A 27 0.729 -8.001 -19.003 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.339 -6.420 -16.613 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.924 -7.633 -16.529 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.114 -6.838 -19.369 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.113 -4.610 -15.832 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.786 -5.111 -19.981 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.778 -2.883 -16.456 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.115 -3.134 -18.525 1.00 0.00 H new ATOM 437 N ILE A 28 -2.337 -8.289 -17.802 1.00 0.00 N ATOM 438 CA ILE A 28 -3.352 -9.282 -17.419 1.00 0.00 C ATOM 439 C ILE A 28 -4.102 -9.818 -18.651 1.00 0.00 C ATOM 440 O ILE A 28 -5.035 -10.613 -18.516 1.00 0.00 O ATOM 441 CB ILE A 28 -4.372 -8.694 -16.423 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.286 -7.686 -17.132 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.640 -7.997 -15.274 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.594 -8.371 -17.527 1.00 0.00 C ATOM 0 H ILE A 28 -2.679 -7.331 -17.871 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.820 -10.103 -16.938 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.978 -9.508 -16.025 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.490 -6.840 -16.475 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.789 -7.289 -18.018 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.368 -7.585 -14.576 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.007 -8.717 -14.755 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.022 -7.192 -15.671 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.243 -7.654 -18.031 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.381 -9.202 -18.199 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.093 -8.746 -16.633 1.00 0.00 H new ATOM 456 N GLN A 29 -3.685 -9.380 -19.850 1.00 0.00 N ATOM 457 CA GLN A 29 -4.320 -9.824 -21.097 1.00 0.00 C ATOM 458 C GLN A 29 -4.394 -11.355 -21.162 1.00 0.00 C ATOM 459 O GLN A 29 -5.390 -11.921 -21.616 1.00 0.00 O ATOM 460 CB GLN A 29 -3.522 -9.308 -22.302 1.00 0.00 C ATOM 461 CG GLN A 29 -4.129 -9.846 -23.601 1.00 0.00 C ATOM 462 CD GLN A 29 -3.453 -9.180 -24.798 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.707 -9.824 -25.534 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.672 -7.914 -25.039 1.00 0.00 N ATOM 0 H GLN A 29 -2.916 -8.723 -19.980 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.333 -9.422 -21.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.527 -8.218 -22.312 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.481 -9.621 -22.220 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.001 -10.927 -23.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.201 -9.651 -23.621 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.290 -7.378 -24.430 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.225 -7.462 -25.836 1.00 0.00 H new ATOM 473 N ASP A 30 -3.328 -12.009 -20.698 1.00 0.00 N ATOM 474 CA ASP A 30 -3.267 -13.477 -20.698 1.00 0.00 C ATOM 475 C ASP A 30 -3.513 -14.052 -19.292 1.00 0.00 C ATOM 476 O ASP A 30 -3.195 -15.214 -19.024 1.00 0.00 O ATOM 477 CB ASP A 30 -1.896 -13.953 -21.205 1.00 0.00 C ATOM 478 CG ASP A 30 -0.781 -13.381 -20.326 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.321 -12.289 -20.620 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.405 -14.044 -19.372 1.00 0.00 O ATOM 0 H ASP A 30 -2.499 -11.552 -20.319 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.053 -13.836 -21.362 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.854 -15.042 -21.195 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.753 -13.638 -22.238 1.00 0.00 H new ATOM 485 N ALA A 31 -4.084 -13.235 -18.399 1.00 0.00 N ATOM 486 CA ALA A 31 -4.365 -13.675 -17.033 1.00 0.00 C ATOM 487 C ALA A 31 -5.830 -14.081 -16.887 1.00 0.00 C ATOM 488 O ALA A 31 -6.697 -13.624 -17.636 1.00 0.00 O ATOM 489 CB ALA A 31 -4.059 -12.555 -16.034 1.00 0.00 C ATOM 0 H ALA A 31 -4.358 -12.273 -18.598 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.728 -14.535 -16.824 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.274 -12.901 -15.023 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.007 -12.280 -16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.678 -11.687 -16.260 1.00 0.00 H new ATOM 495 N GLU A 32 -6.091 -14.944 -15.904 1.00 0.00 N ATOM 496 CA GLU A 32 -7.453 -15.417 -15.643 1.00 0.00 C ATOM 497 C GLU A 32 -7.875 -15.081 -14.206 1.00 0.00 C ATOM 498 O GLU A 32 -8.538 -15.874 -13.532 1.00 0.00 O ATOM 499 CB GLU A 32 -7.545 -16.937 -15.867 1.00 0.00 C ATOM 500 CG GLU A 32 -6.540 -17.666 -14.968 1.00 0.00 C ATOM 501 CD GLU A 32 -6.526 -19.151 -15.316 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.777 -19.524 -16.205 1.00 0.00 O ATOM 503 OE2 GLU A 32 -7.262 -19.894 -14.687 1.00 0.00 O ATOM 0 H GLU A 32 -5.383 -15.328 -15.279 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.126 -14.913 -16.336 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.556 -17.283 -15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.345 -17.171 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.545 -17.242 -15.100 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.808 -17.530 -13.920 1.00 0.00 H new ATOM 510 N ASP A 33 -7.480 -13.889 -13.745 1.00 0.00 N ATOM 511 CA ASP A 33 -7.814 -13.450 -12.387 1.00 0.00 C ATOM 512 C ASP A 33 -8.204 -11.969 -12.367 1.00 0.00 C ATOM 513 O ASP A 33 -9.217 -11.594 -11.772 1.00 0.00 O ATOM 514 CB ASP A 33 -6.623 -13.666 -11.448 1.00 0.00 C ATOM 515 CG ASP A 33 -7.127 -13.936 -10.034 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.361 -15.092 -9.720 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.271 -12.983 -9.285 1.00 0.00 O ATOM 0 H ASP A 33 -6.935 -13.218 -14.286 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.662 -14.045 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.020 -14.505 -11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.979 -12.787 -11.453 1.00 0.00 H new ATOM 522 N GLY A 34 -7.385 -11.136 -13.014 1.00 0.00 N ATOM 523 CA GLY A 34 -7.642 -9.695 -13.061 1.00 0.00 C ATOM 524 C GLY A 34 -6.663 -8.945 -12.159 1.00 0.00 C ATOM 525 O GLY A 34 -7.050 -8.038 -11.420 1.00 0.00 O ATOM 0 H GLY A 34 -6.544 -11.432 -13.509 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.548 -9.337 -14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.665 -9.492 -12.745 1.00 0.00 H new ATOM 529 N CYS A 35 -5.390 -9.344 -12.228 1.00 0.00 N ATOM 530 CA CYS A 35 -4.341 -8.720 -11.419 1.00 0.00 C ATOM 531 C CYS A 35 -2.965 -9.006 -12.020 1.00 0.00 C ATOM 532 O CYS A 35 -2.766 -10.028 -12.683 1.00 0.00 O ATOM 533 CB CYS A 35 -4.381 -9.251 -9.981 1.00 0.00 C ATOM 534 SG CYS A 35 -4.376 -11.064 -9.994 1.00 0.00 S ATOM 0 H CYS A 35 -5.062 -10.095 -12.835 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.518 -7.644 -11.410 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.521 -8.880 -9.423 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.273 -8.884 -9.473 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.568 -11.503 -9.720 1.00 0.00 H new ATOM 540 N ILE A 36 -2.015 -8.100 -11.778 1.00 0.00 N ATOM 541 CA ILE A 36 -0.656 -8.279 -12.300 1.00 0.00 C ATOM 542 C ILE A 36 0.213 -8.990 -11.261 1.00 0.00 C ATOM 543 O ILE A 36 -0.204 -9.190 -10.121 1.00 0.00 O ATOM 544 CB ILE A 36 -0.015 -6.926 -12.672 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.338 -6.138 -11.402 1.00 0.00 C ATOM 546 CG2 ILE A 36 -0.988 -6.107 -13.527 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.849 -6.204 -11.163 1.00 0.00 C ATOM 0 H ILE A 36 -2.156 -7.249 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.721 -8.886 -13.203 1.00 0.00 H new ATOM 0 HB ILE A 36 0.897 -7.115 -13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.020 -5.100 -11.505 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.195 -6.551 -10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.530 -5.153 -13.787 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.223 -6.657 -14.439 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.905 -5.928 -12.965 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.100 -5.645 -10.262 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.153 -7.244 -11.041 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.372 -5.771 -12.016 1.00 0.00 H new ATOM 559 N SER A 37 1.426 -9.366 -11.666 1.00 0.00 N ATOM 560 CA SER A 37 2.344 -10.050 -10.756 1.00 0.00 C ATOM 561 C SER A 37 3.235 -9.036 -10.040 1.00 0.00 C ATOM 562 O SER A 37 4.072 -8.379 -10.661 1.00 0.00 O ATOM 563 CB SER A 37 3.223 -11.043 -11.521 1.00 0.00 C ATOM 564 OG SER A 37 3.410 -12.209 -10.731 1.00 0.00 O ATOM 0 H SER A 37 1.792 -9.211 -12.605 1.00 0.00 H new ATOM 0 HA SER A 37 1.749 -10.593 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.755 -11.304 -12.470 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.186 -10.589 -11.754 1.00 0.00 H new ATOM 0 HG SER A 37 4.050 -12.805 -11.174 1.00 0.00 H new ATOM 570 N THR A 38 3.041 -8.918 -8.721 1.00 0.00 N ATOM 571 CA THR A 38 3.831 -7.980 -7.906 1.00 0.00 C ATOM 572 C THR A 38 5.329 -8.192 -8.135 1.00 0.00 C ATOM 573 O THR A 38 6.092 -7.232 -8.258 1.00 0.00 O ATOM 574 CB THR A 38 3.533 -8.171 -6.411 1.00 0.00 C ATOM 575 OG1 THR A 38 3.805 -9.516 -6.039 1.00 0.00 O ATOM 576 CG2 THR A 38 2.066 -7.848 -6.127 1.00 0.00 C ATOM 0 H THR A 38 2.350 -9.454 -8.196 1.00 0.00 H new ATOM 0 HA THR A 38 3.552 -6.971 -8.209 1.00 0.00 H new ATOM 0 HB THR A 38 4.166 -7.498 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.085 -9.546 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.862 -7.986 -5.065 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.861 -6.814 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.428 -8.514 -6.708 1.00 0.00 H new ATOM 584 N LYS A 39 5.736 -9.464 -8.192 1.00 0.00 N ATOM 585 CA LYS A 39 7.146 -9.807 -8.412 1.00 0.00 C ATOM 586 C LYS A 39 7.612 -9.380 -9.809 1.00 0.00 C ATOM 587 O LYS A 39 8.793 -9.090 -10.013 1.00 0.00 O ATOM 588 CB LYS A 39 7.377 -11.317 -8.243 1.00 0.00 C ATOM 589 CG LYS A 39 6.468 -12.106 -9.197 1.00 0.00 C ATOM 590 CD LYS A 39 5.514 -12.992 -8.388 1.00 0.00 C ATOM 591 CE LYS A 39 6.250 -14.252 -7.921 1.00 0.00 C ATOM 592 NZ LYS A 39 6.237 -15.275 -9.007 1.00 0.00 N ATOM 0 H LYS A 39 5.116 -10.267 -8.090 1.00 0.00 H new ATOM 0 HA LYS A 39 7.727 -9.267 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.421 -11.557 -8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.175 -11.609 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.899 -11.419 -9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.072 -12.720 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.133 -12.442 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.653 -13.267 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.277 -14.006 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.774 -14.652 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.737 -16.128 -8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.254 -15.518 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.711 -14.892 -9.850 1.00 0.00 H new ATOM 606 N GLU A 40 6.675 -9.332 -10.764 1.00 0.00 N ATOM 607 CA GLU A 40 7.008 -8.927 -12.131 1.00 0.00 C ATOM 608 C GLU A 40 6.475 -7.518 -12.416 1.00 0.00 C ATOM 609 O GLU A 40 6.154 -7.182 -13.559 1.00 0.00 O ATOM 610 CB GLU A 40 6.405 -9.909 -13.144 1.00 0.00 C ATOM 611 CG GLU A 40 7.041 -11.291 -12.968 1.00 0.00 C ATOM 612 CD GLU A 40 6.213 -12.332 -13.716 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.427 -12.487 -14.907 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.379 -12.960 -13.085 1.00 0.00 O ATOM 0 H GLU A 40 5.693 -9.566 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 40 8.094 -8.930 -12.229 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.326 -9.974 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.573 -9.548 -14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.063 -11.283 -13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.095 -11.546 -11.910 1.00 0.00 H new ATOM 621 N LEU A 41 6.391 -6.694 -11.362 1.00 0.00 N ATOM 622 CA LEU A 41 5.902 -5.323 -11.514 1.00 0.00 C ATOM 623 C LEU A 41 6.915 -4.446 -12.259 1.00 0.00 C ATOM 624 O LEU A 41 6.566 -3.366 -12.738 1.00 0.00 O ATOM 625 CB LEU A 41 5.599 -4.694 -10.154 1.00 0.00 C ATOM 626 CG LEU A 41 4.597 -3.538 -10.194 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.583 -3.692 -9.060 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.344 -2.212 -10.039 1.00 0.00 C ATOM 0 H LEU A 41 6.652 -6.951 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 41 4.984 -5.377 -12.099 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.215 -5.467 -9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.532 -4.334 -9.719 1.00 0.00 H new ATOM 0 HG LEU A 41 4.070 -3.550 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.872 -2.866 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.049 -4.635 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.104 -3.684 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.632 -1.388 -10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.873 -2.202 -9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.060 -2.101 -10.853 1.00 0.00 H new ATOM 640 N GLY A 42 8.166 -4.919 -12.372 1.00 0.00 N ATOM 641 CA GLY A 42 9.200 -4.164 -13.085 1.00 0.00 C ATOM 642 C GLY A 42 8.759 -3.873 -14.523 1.00 0.00 C ATOM 643 O GLY A 42 9.141 -2.857 -15.107 1.00 0.00 O ATOM 0 H GLY A 42 8.480 -5.808 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.399 -3.228 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.132 -4.730 -13.092 1.00 0.00 H new ATOM 647 N LYS A 43 7.937 -4.777 -15.079 1.00 0.00 N ATOM 648 CA LYS A 43 7.425 -4.615 -16.443 1.00 0.00 C ATOM 649 C LYS A 43 6.472 -3.417 -16.534 1.00 0.00 C ATOM 650 O LYS A 43 6.321 -2.818 -17.600 1.00 0.00 O ATOM 651 CB LYS A 43 6.673 -5.874 -16.891 1.00 0.00 C ATOM 652 CG LYS A 43 7.636 -7.063 -16.946 1.00 0.00 C ATOM 653 CD LYS A 43 6.837 -8.362 -17.086 1.00 0.00 C ATOM 654 CE LYS A 43 7.767 -9.563 -16.882 1.00 0.00 C ATOM 655 NZ LYS A 43 8.483 -9.865 -18.155 1.00 0.00 N ATOM 0 H LYS A 43 7.616 -5.622 -14.606 1.00 0.00 H new ATOM 0 HA LYS A 43 8.283 -4.446 -17.094 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.858 -6.087 -16.200 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.225 -5.711 -17.871 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.320 -6.952 -17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.245 -7.094 -16.042 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.030 -8.385 -16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.374 -8.411 -18.071 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.486 -9.349 -16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.191 -10.431 -16.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.113 -10.680 -18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.791 -10.087 -18.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.045 -9.038 -18.442 1.00 0.00 H new ATOM 669 N VAL A 44 5.842 -3.066 -15.405 1.00 0.00 N ATOM 670 CA VAL A 44 4.921 -1.926 -15.373 1.00 0.00 C ATOM 671 C VAL A 44 5.695 -0.657 -15.018 1.00 0.00 C ATOM 672 O VAL A 44 5.396 0.423 -15.525 1.00 0.00 O ATOM 673 CB VAL A 44 3.749 -2.144 -14.375 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.585 -3.635 -14.057 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.988 -1.379 -13.065 1.00 0.00 C ATOM 0 H VAL A 44 5.952 -3.549 -14.513 1.00 0.00 H new ATOM 0 HA VAL A 44 4.478 -1.824 -16.364 1.00 0.00 H new ATOM 0 HB VAL A 44 2.842 -1.767 -14.848 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.760 -3.769 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.374 -4.182 -14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.504 -4.015 -13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.152 -1.550 -12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.910 -1.730 -12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.072 -0.313 -13.276 1.00 0.00 H new ATOM 685 N MET A 45 6.705 -0.808 -14.150 1.00 0.00 N ATOM 686 CA MET A 45 7.532 0.327 -13.745 1.00 0.00 C ATOM 687 C MET A 45 8.214 0.935 -14.966 1.00 0.00 C ATOM 688 O MET A 45 8.271 2.154 -15.108 1.00 0.00 O ATOM 689 CB MET A 45 8.604 -0.111 -12.741 1.00 0.00 C ATOM 690 CG MET A 45 7.979 -0.261 -11.352 1.00 0.00 C ATOM 691 SD MET A 45 7.829 1.368 -10.575 1.00 0.00 S ATOM 692 CE MET A 45 6.062 1.280 -10.192 1.00 0.00 C ATOM 0 H MET A 45 6.964 -1.697 -13.721 1.00 0.00 H new ATOM 0 HA MET A 45 6.885 1.067 -13.274 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.046 -1.056 -13.056 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.409 0.623 -12.711 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.998 -0.729 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.594 -0.915 -10.734 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.747 2.208 -9.715 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.497 1.135 -11.113 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.877 0.444 -9.518 1.00 0.00 H new ATOM 702 N ARG A 46 8.717 0.069 -15.856 1.00 0.00 N ATOM 703 CA ARG A 46 9.384 0.541 -17.078 1.00 0.00 C ATOM 704 C ARG A 46 8.404 1.318 -17.966 1.00 0.00 C ATOM 705 O ARG A 46 8.793 2.265 -18.653 1.00 0.00 O ATOM 706 CB ARG A 46 9.983 -0.632 -17.872 1.00 0.00 C ATOM 707 CG ARG A 46 8.890 -1.640 -18.248 1.00 0.00 C ATOM 708 CD ARG A 46 9.344 -2.471 -19.452 1.00 0.00 C ATOM 709 NE ARG A 46 9.641 -3.849 -19.050 1.00 0.00 N ATOM 710 CZ ARG A 46 10.861 -4.225 -18.636 1.00 0.00 C ATOM 711 NH1 ARG A 46 11.851 -3.363 -18.579 1.00 0.00 N ATOM 712 NH2 ARG A 46 11.068 -5.468 -18.284 1.00 0.00 N ATOM 0 H ARG A 46 8.677 -0.945 -15.757 1.00 0.00 H new ATOM 0 HA ARG A 46 10.193 1.205 -16.774 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.467 -0.258 -18.774 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.752 -1.126 -17.278 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.679 -2.294 -17.402 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.964 -1.115 -18.485 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.566 -2.470 -20.215 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.229 -2.019 -19.899 1.00 0.00 H new ATOM 0 HE ARG A 46 8.896 -4.545 -19.086 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.698 -2.392 -18.852 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.772 -3.665 -18.262 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.305 -6.144 -18.325 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.992 -5.761 -17.968 1.00 0.00 H new ATOM 726 N MET A 47 7.129 0.916 -17.929 1.00 0.00 N ATOM 727 CA MET A 47 6.090 1.585 -18.717 1.00 0.00 C ATOM 728 C MET A 47 5.677 2.902 -18.051 1.00 0.00 C ATOM 729 O MET A 47 5.324 3.869 -18.727 1.00 0.00 O ATOM 730 CB MET A 47 4.857 0.682 -18.847 1.00 0.00 C ATOM 731 CG MET A 47 4.778 0.106 -20.265 1.00 0.00 C ATOM 732 SD MET A 47 6.308 -0.785 -20.651 1.00 0.00 S ATOM 733 CE MET A 47 5.608 -2.454 -20.670 1.00 0.00 C ATOM 0 H MET A 47 6.794 0.135 -17.365 1.00 0.00 H new ATOM 0 HA MET A 47 6.497 1.792 -19.707 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.910 -0.127 -18.119 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.954 1.251 -18.626 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.924 -0.566 -20.347 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.622 0.909 -20.986 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.204 -3.106 -20.032 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.583 -2.423 -20.300 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.614 -2.840 -21.689 1.00 0.00 H new ATOM 743 N LEU A 48 5.728 2.923 -16.714 1.00 0.00 N ATOM 744 CA LEU A 48 5.365 4.118 -15.947 1.00 0.00 C ATOM 745 C LEU A 48 6.468 5.178 -16.038 1.00 0.00 C ATOM 746 O LEU A 48 6.196 6.378 -15.976 1.00 0.00 O ATOM 747 CB LEU A 48 5.152 3.754 -14.472 1.00 0.00 C ATOM 748 CG LEU A 48 3.718 3.371 -14.076 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.149 2.343 -15.062 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.733 2.766 -12.668 1.00 0.00 C ATOM 0 H LEU A 48 6.016 2.128 -16.143 1.00 0.00 H new ATOM 0 HA LEU A 48 4.443 4.519 -16.368 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.811 2.922 -14.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.463 4.601 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 48 3.092 4.263 -14.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.132 2.081 -14.768 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.139 2.768 -16.066 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.771 1.448 -15.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.718 2.491 -12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.365 1.878 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.126 3.498 -11.962 1.00 0.00 H new ATOM 762 N GLY A 49 7.713 4.713 -16.185 1.00 0.00 N ATOM 763 CA GLY A 49 8.864 5.617 -16.285 1.00 0.00 C ATOM 764 C GLY A 49 9.853 5.407 -15.131 1.00 0.00 C ATOM 765 O GLY A 49 10.556 6.336 -14.732 1.00 0.00 O ATOM 0 H GLY A 49 7.949 3.722 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.373 5.454 -17.235 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.516 6.650 -16.283 1.00 0.00 H new ATOM 769 N GLN A 50 9.902 4.177 -14.605 1.00 0.00 N ATOM 770 CA GLN A 50 10.809 3.847 -13.500 1.00 0.00 C ATOM 771 C GLN A 50 11.582 2.567 -13.823 1.00 0.00 C ATOM 772 O GLN A 50 11.200 1.805 -14.714 1.00 0.00 O ATOM 773 CB GLN A 50 10.025 3.630 -12.195 1.00 0.00 C ATOM 774 CG GLN A 50 9.017 4.768 -11.978 1.00 0.00 C ATOM 775 CD GLN A 50 9.756 6.069 -11.660 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.698 6.081 -10.866 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.378 7.178 -12.237 1.00 0.00 N ATOM 0 H GLN A 50 9.327 3.398 -14.925 1.00 0.00 H new ATOM 0 HA GLN A 50 11.499 4.681 -13.372 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.501 2.675 -12.233 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.715 3.582 -11.353 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.404 4.897 -12.870 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.341 4.515 -11.161 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.598 7.171 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.862 8.051 -12.030 1.00 0.00 H new ATOM 786 N ASN A 51 12.674 2.333 -13.089 1.00 0.00 N ATOM 787 CA ASN A 51 13.486 1.134 -13.316 1.00 0.00 C ATOM 788 C ASN A 51 14.210 0.702 -12.032 1.00 0.00 C ATOM 789 O ASN A 51 15.441 0.744 -11.954 1.00 0.00 O ATOM 790 CB ASN A 51 14.515 1.390 -14.426 1.00 0.00 C ATOM 791 CG ASN A 51 14.899 0.068 -15.084 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.872 -0.572 -14.685 1.00 0.00 O ATOM 793 ND2 ASN A 51 14.186 -0.386 -16.081 1.00 0.00 N ATOM 0 H ASN A 51 13.012 2.945 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 51 12.815 0.331 -13.622 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.101 2.071 -15.170 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.400 1.872 -14.011 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.436 -1.269 -16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.379 0.142 -16.413 1.00 0.00 H new ATOM 800 N PRO A 52 13.451 0.268 -11.014 1.00 0.00 N ATOM 801 CA PRO A 52 14.030 -0.190 -9.735 1.00 0.00 C ATOM 802 C PRO A 52 14.433 -1.669 -9.785 1.00 0.00 C ATOM 803 O PRO A 52 14.590 -2.246 -10.862 1.00 0.00 O ATOM 804 CB PRO A 52 12.867 0.021 -8.770 1.00 0.00 C ATOM 805 CG PRO A 52 11.589 -0.026 -9.598 1.00 0.00 C ATOM 806 CD PRO A 52 11.975 0.209 -11.064 1.00 0.00 C ATOM 0 HA PRO A 52 14.943 0.339 -9.462 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.858 -0.752 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.960 0.978 -8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.094 -0.990 -9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.886 0.736 -9.261 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.625 -0.598 -11.708 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.547 1.134 -11.451 1.00 0.00 H new ATOM 814 N THR A 53 14.582 -2.276 -8.606 1.00 0.00 N ATOM 815 CA THR A 53 14.947 -3.691 -8.518 1.00 0.00 C ATOM 816 C THR A 53 13.743 -4.489 -8.012 1.00 0.00 C ATOM 817 O THR A 53 12.753 -3.905 -7.564 1.00 0.00 O ATOM 818 CB THR A 53 16.141 -3.883 -7.562 1.00 0.00 C ATOM 819 OG1 THR A 53 15.681 -3.932 -6.216 1.00 0.00 O ATOM 820 CG2 THR A 53 17.122 -2.720 -7.713 1.00 0.00 C ATOM 0 H THR A 53 14.457 -1.814 -7.705 1.00 0.00 H new ATOM 0 HA THR A 53 15.237 -4.047 -9.507 1.00 0.00 H new ATOM 0 HB THR A 53 16.642 -4.818 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.444 -4.056 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.963 -2.863 -7.034 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.487 -2.682 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.617 -1.784 -7.473 1.00 0.00 H new ATOM 828 N PRO A 54 13.808 -5.826 -8.056 1.00 0.00 N ATOM 829 CA PRO A 54 12.698 -6.670 -7.573 1.00 0.00 C ATOM 830 C PRO A 54 12.603 -6.669 -6.047 1.00 0.00 C ATOM 831 O PRO A 54 11.528 -6.871 -5.481 1.00 0.00 O ATOM 832 CB PRO A 54 13.058 -8.045 -8.125 1.00 0.00 C ATOM 833 CG PRO A 54 14.560 -8.039 -8.375 1.00 0.00 C ATOM 834 CD PRO A 54 14.977 -6.577 -8.564 1.00 0.00 C ATOM 0 HA PRO A 54 11.718 -6.322 -7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.787 -8.829 -7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.513 -8.246 -9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.092 -8.486 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.806 -8.628 -9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.882 -6.340 -8.005 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.180 -6.348 -9.610 1.00 0.00 H new ATOM 842 N GLU A 55 13.742 -6.410 -5.393 1.00 0.00 N ATOM 843 CA GLU A 55 13.788 -6.350 -3.934 1.00 0.00 C ATOM 844 C GLU A 55 13.305 -4.982 -3.440 1.00 0.00 C ATOM 845 O GLU A 55 12.674 -4.881 -2.387 1.00 0.00 O ATOM 846 CB GLU A 55 15.216 -6.588 -3.427 1.00 0.00 C ATOM 847 CG GLU A 55 15.699 -7.975 -3.869 1.00 0.00 C ATOM 848 CD GLU A 55 15.036 -9.050 -3.012 1.00 0.00 C ATOM 849 OE1 GLU A 55 15.571 -9.354 -1.958 1.00 0.00 O ATOM 850 OE2 GLU A 55 14.002 -9.554 -3.422 1.00 0.00 O ATOM 0 H GLU A 55 14.637 -6.240 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 55 13.133 -7.130 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.883 -5.819 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.243 -6.513 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.459 -8.136 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.783 -8.040 -3.776 1.00 0.00 H new ATOM 857 N GLU A 56 13.613 -3.928 -4.212 1.00 0.00 N ATOM 858 CA GLU A 56 13.212 -2.568 -3.842 1.00 0.00 C ATOM 859 C GLU A 56 11.726 -2.339 -4.116 1.00 0.00 C ATOM 860 O GLU A 56 10.999 -1.845 -3.252 1.00 0.00 O ATOM 861 CB GLU A 56 14.027 -1.533 -4.623 1.00 0.00 C ATOM 862 CG GLU A 56 15.297 -1.182 -3.843 1.00 0.00 C ATOM 863 CD GLU A 56 16.390 -0.732 -4.810 1.00 0.00 C ATOM 864 OE1 GLU A 56 16.214 0.300 -5.437 1.00 0.00 O ATOM 865 OE2 GLU A 56 17.390 -1.425 -4.903 1.00 0.00 O ATOM 0 H GLU A 56 14.133 -3.993 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 56 13.401 -2.452 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.289 -1.928 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.431 -0.636 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.086 -0.390 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.636 -2.047 -3.274 1.00 0.00 H new ATOM 872 N LEU A 57 11.283 -2.696 -5.328 1.00 0.00 N ATOM 873 CA LEU A 57 9.879 -2.515 -5.704 1.00 0.00 C ATOM 874 C LEU A 57 8.950 -3.304 -4.774 1.00 0.00 C ATOM 875 O LEU A 57 7.860 -2.845 -4.445 1.00 0.00 O ATOM 876 CB LEU A 57 9.644 -2.948 -7.159 1.00 0.00 C ATOM 877 CG LEU A 57 9.655 -4.461 -7.426 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.261 -5.045 -7.164 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.042 -4.714 -8.887 1.00 0.00 C ATOM 0 H LEU A 57 11.869 -3.106 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 57 9.649 -1.454 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.683 -2.550 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.409 -2.484 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 57 10.377 -4.939 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.274 -6.118 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.980 -4.864 -6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.537 -4.568 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.051 -5.787 -9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.317 -4.233 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.033 -4.303 -9.077 1.00 0.00 H new ATOM 891 N GLN A 58 9.394 -4.494 -4.351 1.00 0.00 N ATOM 892 CA GLN A 58 8.589 -5.334 -3.459 1.00 0.00 C ATOM 893 C GLN A 58 8.206 -4.584 -2.177 1.00 0.00 C ATOM 894 O GLN A 58 7.137 -4.817 -1.615 1.00 0.00 O ATOM 895 CB GLN A 58 9.355 -6.607 -3.081 1.00 0.00 C ATOM 896 CG GLN A 58 8.371 -7.688 -2.619 1.00 0.00 C ATOM 897 CD GLN A 58 7.469 -8.100 -3.780 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.931 -8.692 -4.755 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.193 -7.817 -3.734 1.00 0.00 N ATOM 0 H GLN A 58 10.297 -4.893 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 58 7.679 -5.598 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.928 -6.965 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.070 -6.390 -2.287 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.918 -8.554 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.767 -7.313 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.808 -7.326 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.583 -8.087 -4.505 1.00 0.00 H new ATOM 908 N GLU A 59 9.089 -3.688 -1.719 1.00 0.00 N ATOM 909 CA GLU A 59 8.827 -2.915 -0.497 1.00 0.00 C ATOM 910 C GLU A 59 7.586 -2.037 -0.655 1.00 0.00 C ATOM 911 O GLU A 59 6.665 -2.103 0.163 1.00 0.00 O ATOM 912 CB GLU A 59 10.027 -2.026 -0.149 1.00 0.00 C ATOM 913 CG GLU A 59 11.253 -2.900 0.132 1.00 0.00 C ATOM 914 CD GLU A 59 12.403 -2.026 0.622 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.480 -1.797 1.819 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.192 -1.600 -0.207 1.00 0.00 O ATOM 0 H GLU A 59 9.981 -3.481 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 59 8.658 -3.630 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.236 -1.343 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.797 -1.414 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.011 -3.654 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.547 -3.433 -0.772 1.00 0.00 H new ATOM 923 N MET A 60 7.563 -1.218 -1.712 1.00 0.00 N ATOM 924 CA MET A 60 6.415 -0.337 -1.955 1.00 0.00 C ATOM 925 C MET A 60 5.165 -1.157 -2.290 1.00 0.00 C ATOM 926 O MET A 60 4.049 -0.759 -1.958 1.00 0.00 O ATOM 927 CB MET A 60 6.701 0.660 -3.091 1.00 0.00 C ATOM 928 CG MET A 60 7.027 -0.081 -4.391 1.00 0.00 C ATOM 929 SD MET A 60 7.052 1.097 -5.765 1.00 0.00 S ATOM 930 CE MET A 60 7.621 -0.052 -7.042 1.00 0.00 C ATOM 0 H MET A 60 8.311 -1.146 -2.402 1.00 0.00 H new ATOM 0 HA MET A 60 6.239 0.227 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.836 1.306 -3.242 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.535 1.305 -2.815 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.993 -0.578 -4.306 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.284 -0.857 -4.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.408 0.364 -8.027 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.695 -0.209 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.103 -1.005 -6.931 1.00 0.00 H new ATOM 940 N ILE A 61 5.367 -2.310 -2.934 1.00 0.00 N ATOM 941 CA ILE A 61 4.249 -3.185 -3.294 1.00 0.00 C ATOM 942 C ILE A 61 3.627 -3.788 -2.035 1.00 0.00 C ATOM 943 O ILE A 61 2.411 -3.764 -1.864 1.00 0.00 O ATOM 944 CB ILE A 61 4.719 -4.313 -4.230 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.149 -3.724 -5.584 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.583 -5.318 -4.452 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.073 -2.772 -6.119 1.00 0.00 C ATOM 0 H ILE A 61 6.285 -2.656 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 61 3.502 -2.587 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 61 5.566 -4.821 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.093 -3.190 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.320 -4.528 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.925 -6.113 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.285 -5.747 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.731 -4.810 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.393 -2.364 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.138 -3.317 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.922 -1.958 -5.410 1.00 0.00 H new ATOM 959 N ASP A 62 4.479 -4.319 -1.153 1.00 0.00 N ATOM 960 CA ASP A 62 4.003 -4.918 0.099 1.00 0.00 C ATOM 961 C ASP A 62 3.187 -3.906 0.907 1.00 0.00 C ATOM 962 O ASP A 62 2.187 -4.263 1.535 1.00 0.00 O ATOM 963 CB ASP A 62 5.183 -5.399 0.956 1.00 0.00 C ATOM 964 CG ASP A 62 5.752 -6.703 0.391 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.973 -7.551 -0.019 1.00 0.00 O ATOM 966 OD2 ASP A 62 6.965 -6.838 0.386 1.00 0.00 O ATOM 0 H ASP A 62 5.491 -4.347 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 62 3.373 -5.768 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.960 -4.635 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.856 -5.552 1.984 1.00 0.00 H new ATOM 971 N GLU A 63 3.618 -2.638 0.879 1.00 0.00 N ATOM 972 CA GLU A 63 2.914 -1.580 1.609 1.00 0.00 C ATOM 973 C GLU A 63 1.548 -1.303 0.975 1.00 0.00 C ATOM 974 O GLU A 63 0.535 -1.208 1.671 1.00 0.00 O ATOM 975 CB GLU A 63 3.739 -0.286 1.605 1.00 0.00 C ATOM 976 CG GLU A 63 3.971 0.184 3.044 1.00 0.00 C ATOM 977 CD GLU A 63 3.667 1.677 3.151 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.514 2.464 2.761 1.00 0.00 O ATOM 979 OE2 GLU A 63 2.592 2.010 3.621 1.00 0.00 O ATOM 0 H GLU A 63 4.441 -2.324 0.365 1.00 0.00 H new ATOM 0 HA GLU A 63 2.773 -1.919 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.695 -0.455 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.218 0.487 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.334 -0.377 3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.002 -0.009 3.339 1.00 0.00 H new ATOM 986 N VAL A 64 1.542 -1.172 -0.355 1.00 0.00 N ATOM 987 CA VAL A 64 0.309 -0.900 -1.098 1.00 0.00 C ATOM 988 C VAL A 64 -0.643 -2.095 -1.034 1.00 0.00 C ATOM 989 O VAL A 64 -1.762 -1.980 -0.533 1.00 0.00 O ATOM 990 CB VAL A 64 0.640 -0.598 -2.561 1.00 0.00 C ATOM 991 CG1 VAL A 64 -0.646 -0.337 -3.348 1.00 0.00 C ATOM 992 CG2 VAL A 64 1.544 0.633 -2.618 1.00 0.00 C ATOM 0 H VAL A 64 2.376 -1.250 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.178 -0.038 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 64 1.151 -1.453 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.399 -0.123 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.287 -1.218 -3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.170 0.516 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.787 0.858 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.028 1.484 -2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.462 0.436 -2.065 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.184 -3.234 -1.559 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.990 -4.459 -1.573 1.00 0.00 C ATOM 1004 C ASP A 65 -1.504 -4.787 -0.170 1.00 0.00 C ATOM 1005 O ASP A 65 -0.757 -5.265 0.688 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.167 -5.643 -2.101 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.041 -6.519 -2.995 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.750 -7.356 -2.463 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.990 -6.340 -4.200 1.00 0.00 O ATOM 0 H ASP A 65 0.740 -3.334 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.840 -4.289 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.694 -5.279 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.220 -6.229 -1.268 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.794 -4.516 0.047 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.431 -4.773 1.346 1.00 0.00 C ATOM 1016 C GLU A 66 -3.685 -6.265 1.546 1.00 0.00 C ATOM 1017 O GLU A 66 -3.712 -6.757 2.676 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.772 -4.034 1.456 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.617 -2.587 0.978 1.00 0.00 C ATOM 1020 CD GLU A 66 -3.945 -1.751 2.066 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -2.727 -1.768 2.136 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -4.661 -1.104 2.815 1.00 0.00 O ATOM 0 H GLU A 66 -3.418 -4.120 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.747 -4.411 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.527 -4.544 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.120 -4.049 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.022 -2.558 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.594 -2.168 0.736 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.884 -6.978 0.435 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.153 -8.420 0.493 1.00 0.00 C ATOM 1031 C ASP A 67 -2.862 -9.208 0.714 1.00 0.00 C ATOM 1032 O ASP A 67 -2.824 -10.140 1.520 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.808 -8.912 -0.809 1.00 0.00 C ATOM 1034 CG ASP A 67 -5.861 -7.913 -1.292 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -6.769 -7.618 -0.531 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -5.743 -7.463 -2.420 1.00 0.00 O ATOM 0 H ASP A 67 -3.865 -6.587 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.832 -8.586 1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.047 -9.046 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.270 -9.885 -0.645 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.812 -8.839 -0.025 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.527 -9.531 0.079 1.00 0.00 C ATOM 1043 C GLY A 68 -0.607 -10.886 -0.620 1.00 0.00 C ATOM 1044 O GLY A 68 -0.069 -11.883 -0.138 1.00 0.00 O ATOM 0 H GLY A 68 -1.827 -8.071 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.259 -8.926 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.262 -9.668 1.127 1.00 0.00 H new ATOM 1048 N SER A 69 -1.303 -10.901 -1.762 1.00 0.00 N ATOM 1049 CA SER A 69 -1.481 -12.129 -2.540 1.00 0.00 C ATOM 1050 C SER A 69 -0.405 -12.281 -3.626 1.00 0.00 C ATOM 1051 O SER A 69 -0.443 -13.229 -4.414 1.00 0.00 O ATOM 1052 CB SER A 69 -2.862 -12.122 -3.208 1.00 0.00 C ATOM 1053 OG SER A 69 -3.123 -10.829 -3.751 1.00 0.00 O ATOM 0 H SER A 69 -1.751 -10.078 -2.166 1.00 0.00 H new ATOM 0 HA SER A 69 -1.393 -12.969 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.900 -12.873 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.630 -12.384 -2.481 1.00 0.00 H new ATOM 0 HG SER A 69 -3.145 -10.883 -4.729 1.00 0.00 H new ATOM 1059 N GLY A 70 0.545 -11.338 -3.676 1.00 0.00 N ATOM 1060 CA GLY A 70 1.603 -11.381 -4.683 1.00 0.00 C ATOM 1061 C GLY A 70 1.066 -10.944 -6.048 1.00 0.00 C ATOM 1062 O GLY A 70 1.655 -11.254 -7.086 1.00 0.00 O ATOM 0 H GLY A 70 0.600 -10.545 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.424 -10.729 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.006 -12.391 -4.751 1.00 0.00 H new ATOM 1066 N THR A 71 -0.063 -10.221 -6.033 1.00 0.00 N ATOM 1067 CA THR A 71 -0.683 -9.747 -7.267 1.00 0.00 C ATOM 1068 C THR A 71 -1.314 -8.374 -7.044 1.00 0.00 C ATOM 1069 O THR A 71 -2.096 -8.181 -6.109 1.00 0.00 O ATOM 1070 CB THR A 71 -1.763 -10.730 -7.743 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.846 -10.734 -6.819 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.174 -12.140 -7.834 1.00 0.00 C ATOM 0 H THR A 71 -0.559 -9.956 -5.182 1.00 0.00 H new ATOM 0 HA THR A 71 0.092 -9.673 -8.030 1.00 0.00 H new ATOM 0 HB THR A 71 -2.120 -10.420 -8.725 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.901 -9.862 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.943 -12.834 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.346 -12.143 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.813 -12.448 -6.853 1.00 0.00 H new ATOM 1080 N VAL A 72 -0.965 -7.420 -7.907 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.505 -6.067 -7.786 1.00 0.00 C ATOM 1082 C VAL A 72 -2.795 -5.930 -8.587 1.00 0.00 C ATOM 1083 O VAL A 72 -2.822 -6.165 -9.796 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.507 -5.020 -8.296 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.993 -3.619 -7.912 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.870 -5.263 -7.672 1.00 0.00 C ATOM 0 H VAL A 72 -0.321 -7.556 -8.686 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.701 -5.895 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.432 -5.100 -9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.283 -2.876 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.970 -3.437 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.072 -3.546 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.573 -4.515 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.796 -5.189 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.223 -6.258 -7.945 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.854 -5.513 -7.898 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.144 -5.304 -8.547 1.00 0.00 C ATOM 1098 C ASP A 73 -5.199 -3.870 -9.059 1.00 0.00 C ATOM 1099 O ASP A 73 -4.342 -3.057 -8.715 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.296 -5.543 -7.564 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.374 -7.028 -7.218 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.028 -7.754 -7.950 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.777 -7.419 -6.228 1.00 0.00 O ATOM 0 H ASP A 73 -3.845 -5.314 -6.898 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.250 -6.010 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.143 -4.956 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.237 -5.212 -8.003 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.194 -3.555 -9.888 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.301 -2.198 -10.428 1.00 0.00 C ATOM 1110 C PHE A 74 -6.431 -1.161 -9.305 1.00 0.00 C ATOM 1111 O PHE A 74 -5.924 -0.043 -9.425 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.489 -2.069 -11.384 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.323 -0.814 -12.198 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.099 -0.551 -12.823 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.382 0.089 -12.322 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.935 0.615 -13.572 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.218 1.257 -13.073 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.994 1.521 -13.698 1.00 0.00 C ATOM 0 H PHE A 74 -6.921 -4.201 -10.195 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.383 -2.004 -10.983 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.543 -2.939 -12.039 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.423 -2.034 -10.823 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.282 -1.250 -12.726 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.326 -0.115 -11.838 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.990 0.818 -14.055 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.036 1.955 -13.171 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.867 2.424 -14.277 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.098 -1.545 -8.210 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.265 -0.639 -7.069 1.00 0.00 C ATOM 1130 C ASP A 75 -5.915 -0.391 -6.394 1.00 0.00 C ATOM 1131 O ASP A 75 -5.586 0.741 -6.031 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.237 -1.232 -6.044 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.659 -1.171 -6.592 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.309 -0.158 -6.391 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.078 -2.139 -7.208 1.00 0.00 O ATOM 0 H ASP A 75 -7.525 -2.464 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.669 0.303 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.965 -2.265 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.174 -0.680 -5.106 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.131 -1.464 -6.246 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.805 -1.366 -5.632 1.00 0.00 C ATOM 1142 C GLU A 76 -2.805 -0.729 -6.612 1.00 0.00 C ATOM 1143 O GLU A 76 -1.812 -0.129 -6.201 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.300 -2.757 -5.221 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.344 -3.441 -4.325 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.957 -4.900 -4.078 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.764 -5.620 -5.045 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.868 -5.280 -2.922 1.00 0.00 O ATOM 0 H GLU A 76 -5.391 -2.405 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.888 -0.738 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.113 -3.364 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.352 -2.669 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.420 -2.912 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.326 -3.393 -4.797 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.092 -0.869 -7.914 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.237 -0.316 -8.967 1.00 0.00 C ATOM 1157 C PHE A 77 -2.255 1.215 -8.937 1.00 0.00 C ATOM 1158 O PHE A 77 -1.205 1.862 -8.943 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.741 -0.790 -10.340 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.605 -1.014 -11.319 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.281 -1.186 -10.882 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.897 -1.064 -12.686 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.739 -1.403 -11.813 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.877 -1.283 -13.614 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.442 -1.452 -13.180 1.00 0.00 C ATOM 0 H PHE A 77 -3.914 -1.363 -8.261 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.218 -0.663 -8.796 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.303 -1.716 -10.219 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.430 -0.050 -10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.051 -1.151 -9.827 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.914 -0.933 -13.025 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.757 -1.533 -11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.107 -1.322 -14.669 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.230 -1.620 -13.899 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.466 1.783 -8.916 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.630 3.240 -8.898 1.00 0.00 C ATOM 1177 C LEU A 78 -3.206 3.834 -7.550 1.00 0.00 C ATOM 1178 O LEU A 78 -2.763 4.984 -7.485 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.085 3.617 -9.186 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.445 3.767 -10.672 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.872 2.595 -11.472 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.967 3.791 -10.824 1.00 0.00 C ATOM 0 H LEU A 78 -4.341 1.260 -8.911 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.986 3.652 -9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.733 2.858 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.306 4.556 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.021 4.697 -11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.133 2.711 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.787 2.578 -11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.287 1.660 -11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.226 3.897 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.386 2.861 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.375 4.632 -10.263 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.330 3.041 -6.477 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.939 3.505 -5.142 1.00 0.00 C ATOM 1196 C VAL A 79 -1.437 3.803 -5.123 1.00 0.00 C ATOM 1197 O VAL A 79 -1.008 4.846 -4.636 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.286 2.444 -4.080 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.273 2.485 -2.932 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.686 2.725 -3.525 1.00 0.00 C ATOM 0 H VAL A 79 -3.693 2.088 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.489 4.416 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.256 1.458 -4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.533 1.729 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.275 2.284 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.290 3.471 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.936 1.977 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.705 3.716 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.414 2.683 -4.335 1.00 0.00 H new ATOM 1210 N MET A 80 -0.652 2.867 -5.668 1.00 0.00 N ATOM 1211 CA MET A 80 0.809 3.020 -5.735 1.00 0.00 C ATOM 1212 C MET A 80 1.207 4.425 -6.212 1.00 0.00 C ATOM 1213 O MET A 80 2.234 4.962 -5.789 1.00 0.00 O ATOM 1214 CB MET A 80 1.402 1.988 -6.702 1.00 0.00 C ATOM 1215 CG MET A 80 2.575 1.264 -6.038 1.00 0.00 C ATOM 1216 SD MET A 80 3.713 0.662 -7.311 1.00 0.00 S ATOM 1217 CE MET A 80 2.529 -0.365 -8.217 1.00 0.00 C ATOM 0 H MET A 80 -1.001 1.997 -6.069 1.00 0.00 H new ATOM 0 HA MET A 80 1.200 2.865 -4.729 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.637 1.268 -6.993 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.738 2.482 -7.614 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.096 1.940 -5.360 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.209 0.430 -5.439 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.048 -0.909 -9.006 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.064 -1.075 -7.532 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.760 0.269 -8.659 1.00 0.00 H new ATOM 1227 N MET A 81 0.387 5.014 -7.095 1.00 0.00 N ATOM 1228 CA MET A 81 0.671 6.355 -7.616 1.00 0.00 C ATOM 1229 C MET A 81 0.557 7.400 -6.505 1.00 0.00 C ATOM 1230 O MET A 81 1.516 8.118 -6.221 1.00 0.00 O ATOM 1231 CB MET A 81 -0.300 6.716 -8.748 1.00 0.00 C ATOM 1232 CG MET A 81 0.022 8.112 -9.299 1.00 0.00 C ATOM 1233 SD MET A 81 1.787 8.233 -9.697 1.00 0.00 S ATOM 1234 CE MET A 81 1.792 7.086 -11.097 1.00 0.00 C ATOM 0 H MET A 81 -0.466 4.588 -7.458 1.00 0.00 H new ATOM 0 HA MET A 81 1.689 6.350 -8.005 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.230 5.977 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.325 6.690 -8.379 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.574 8.306 -10.191 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.246 8.872 -8.565 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.531 7.410 -11.830 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.043 6.085 -10.746 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.805 7.072 -11.559 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.623 7.473 -5.880 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.846 8.436 -4.795 1.00 0.00 C ATOM 1246 C VAL A 82 0.107 8.168 -3.624 1.00 0.00 C ATOM 1247 O VAL A 82 0.502 9.093 -2.914 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.297 8.390 -4.290 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.239 8.887 -5.390 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.681 6.955 -3.910 1.00 0.00 C ATOM 0 H VAL A 82 -1.428 6.887 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.649 9.428 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.383 9.029 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.268 8.854 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.980 9.912 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.141 8.249 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.711 6.936 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.587 6.310 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.018 6.597 -3.122 1.00 0.00 H new ATOM 1260 N ARG A 83 0.483 6.895 -3.440 1.00 0.00 N ATOM 1261 CA ARG A 83 1.404 6.512 -2.363 1.00 0.00 C ATOM 1262 C ARG A 83 2.714 7.298 -2.464 1.00 0.00 C ATOM 1263 O ARG A 83 3.337 7.613 -1.451 1.00 0.00 O ATOM 1264 CB ARG A 83 1.720 5.014 -2.427 1.00 0.00 C ATOM 1265 CG ARG A 83 0.474 4.208 -2.047 1.00 0.00 C ATOM 1266 CD ARG A 83 0.550 3.806 -0.573 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.792 3.699 0.005 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.008 3.096 1.183 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.014 2.580 1.866 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.227 3.025 1.656 1.00 0.00 N ATOM 0 H ARG A 83 0.166 6.118 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 83 0.915 6.741 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.048 4.744 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.540 4.776 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.423 4.801 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.399 3.319 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.069 2.853 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.132 4.543 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.584 4.094 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.937 2.635 1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.192 2.124 2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.003 3.426 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.401 2.568 2.551 1.00 0.00 H new ATOM 1284 N CYS A 84 3.116 7.615 -3.700 1.00 0.00 N ATOM 1285 CA CYS A 84 4.346 8.375 -3.931 1.00 0.00 C ATOM 1286 C CYS A 84 4.031 9.861 -4.129 1.00 0.00 C ATOM 1287 O CYS A 84 4.815 10.726 -3.731 1.00 0.00 O ATOM 1288 CB CYS A 84 5.076 7.849 -5.172 1.00 0.00 C ATOM 1289 SG CYS A 84 6.115 6.440 -4.710 1.00 0.00 S ATOM 0 H CYS A 84 2.611 7.359 -4.548 1.00 0.00 H new ATOM 0 HA CYS A 84 4.984 8.254 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.354 7.549 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.688 8.638 -5.609 1.00 0.00 H new ATOM 0 HG CYS A 84 6.732 5.992 -5.763 1.00 0.00 H new ATOM 1295 N MET A 85 2.877 10.144 -4.748 1.00 0.00 N ATOM 1296 CA MET A 85 2.458 11.527 -5.001 1.00 0.00 C ATOM 1297 C MET A 85 2.318 12.302 -3.689 1.00 0.00 C ATOM 1298 O MET A 85 3.003 13.304 -3.474 1.00 0.00 O ATOM 1299 CB MET A 85 1.118 11.554 -5.749 1.00 0.00 C ATOM 1300 CG MET A 85 1.079 12.754 -6.699 1.00 0.00 C ATOM 1301 SD MET A 85 0.371 14.183 -5.841 1.00 0.00 S ATOM 1302 CE MET A 85 1.814 15.269 -5.970 1.00 0.00 C ATOM 0 H MET A 85 2.221 9.437 -5.081 1.00 0.00 H new ATOM 0 HA MET A 85 3.225 12.000 -5.614 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.986 10.629 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.295 11.615 -5.037 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.085 12.988 -7.048 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.484 12.514 -7.580 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.633 16.183 -5.405 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.689 14.760 -5.567 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.989 15.518 -7.017 1.00 0.00 H new ATOM 1312 N LYS A 86 1.425 11.826 -2.813 1.00 0.00 N ATOM 1313 CA LYS A 86 1.208 12.483 -1.523 1.00 0.00 C ATOM 1314 C LYS A 86 0.952 11.447 -0.423 1.00 0.00 C ATOM 1315 O LYS A 86 0.223 10.472 -0.617 1.00 0.00 O ATOM 1316 CB LYS A 86 0.035 13.482 -1.609 1.00 0.00 C ATOM 1317 CG LYS A 86 -1.312 12.786 -1.353 1.00 0.00 C ATOM 1318 CD LYS A 86 -1.620 11.807 -2.490 1.00 0.00 C ATOM 1319 CE LYS A 86 -3.133 11.614 -2.606 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.599 10.650 -1.567 1.00 0.00 N ATOM 0 H LYS A 86 0.849 10.999 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 86 2.112 13.037 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.179 14.279 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.024 13.949 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.281 12.254 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.106 13.529 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.219 12.187 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.135 10.850 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.642 12.570 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.387 11.244 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.550 10.920 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.629 9.692 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.943 10.665 -0.760 1.00 0.00 H new ATOM 1334 N ASP A 87 1.577 11.670 0.731 1.00 0.00 N ATOM 1335 CA ASP A 87 1.432 10.753 1.869 1.00 0.00 C ATOM 1336 C ASP A 87 2.178 11.295 3.097 1.00 0.00 C ATOM 1337 O ASP A 87 2.894 10.563 3.784 1.00 0.00 O ATOM 1338 CB ASP A 87 1.972 9.355 1.509 1.00 0.00 C ATOM 1339 CG ASP A 87 3.434 9.444 1.061 1.00 0.00 C ATOM 1340 OD1 ASP A 87 3.681 9.976 -0.011 1.00 0.00 O ATOM 1341 OD2 ASP A 87 4.287 8.971 1.795 1.00 0.00 O ATOM 0 H ASP A 87 2.185 12.470 0.906 1.00 0.00 H new ATOM 0 HA ASP A 87 0.371 10.673 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.889 8.694 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.368 8.919 0.714 1.00 0.00 H new ATOM 1346 N ASP A 88 1.995 12.592 3.365 1.00 0.00 N ATOM 1347 CA ASP A 88 2.653 13.232 4.509 1.00 0.00 C ATOM 1348 C ASP A 88 1.620 13.692 5.540 1.00 0.00 C ATOM 1349 O ASP A 88 1.516 14.879 5.863 1.00 0.00 O ATOM 1350 CB ASP A 88 3.506 14.429 4.053 1.00 0.00 C ATOM 1351 CG ASP A 88 2.755 15.257 3.008 1.00 0.00 C ATOM 1352 OD1 ASP A 88 2.888 14.952 1.833 1.00 0.00 O ATOM 1353 OD2 ASP A 88 2.064 16.183 3.397 1.00 0.00 O ATOM 0 H ASP A 88 1.404 13.213 2.813 1.00 0.00 H new ATOM 0 HA ASP A 88 3.308 12.494 4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.754 15.054 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.448 14.073 3.635 1.00 0.00 H new ATOM 1358 N SER A 89 0.860 12.729 6.061 1.00 0.00 N ATOM 1359 CA SER A 89 -0.164 13.029 7.063 1.00 0.00 C ATOM 1360 C SER A 89 0.448 13.046 8.464 1.00 0.00 C ATOM 1361 O SER A 89 0.273 14.039 9.151 1.00 0.00 O ATOM 1362 CB SER A 89 -1.286 11.989 7.017 1.00 0.00 C ATOM 1363 OG SER A 89 -2.014 12.133 5.804 1.00 0.00 O ATOM 1364 OXT SER A 89 1.085 12.069 8.830 1.00 0.00 O ATOM 0 H SER A 89 0.932 11.743 5.809 1.00 0.00 H new ATOM 0 HA SER A 89 -0.577 14.012 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.869 10.984 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.951 12.118 7.871 1.00 0.00 H new ATOM 0 HG SER A 89 -2.503 11.305 5.616 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.241 -7.967 -3.587 1.00 0.00 CA