USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 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 38 THR OG1 : rot -75:sc= 0.89 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.498 X(o=0.39,f=0.1) USER MOD Set 2.1: A 35 CYS SG : rot 31:sc= -0.354 USER MOD Set 2.2: A 69 SER OG : rot -88:sc= 0.394 USER MOD Set 2.3: A 71 THR OG1 : rot 22:sc= 0.198! 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=-0.00601 X(o=-0.006,f=-0.006) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 16 GLN : amide:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.467 (180deg=-4.33!) USER MOD Single : A 18 ASN : amide:sc= -0.0064 X(o=-0.0064,f=-0.031) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0446 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 45 MET CE :methyl 178:sc= -4.58! (180deg=-4.82!) USER MOD Single : A 47 MET CE :methyl -116:sc= -1.73 (180deg=-4.95!) USER MOD Single : A 50 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.53) USER MOD Single : A 51 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.0205 USER MOD Single : A 60 MET CE :methyl -133:sc= -0.0694 (180deg=-0.542) USER MOD Single : A 80 MET CE :methyl 164:sc= -3! (180deg=-3.93!) USER MOD Single : A 81 MET CE :methyl 142:sc= -0.585 (180deg=-2.61) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00424) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.401 2.654 8.260 1.00 0.00 N ATOM 2 CA MET A 1 -3.805 3.160 8.245 1.00 0.00 C ATOM 3 C MET A 1 -3.824 4.595 7.708 1.00 0.00 C ATOM 4 O MET A 1 -4.094 5.550 8.442 1.00 0.00 O ATOM 5 CB MET A 1 -4.377 3.120 9.669 1.00 0.00 C ATOM 6 CG MET A 1 -5.907 3.058 9.611 1.00 0.00 C ATOM 7 SD MET A 1 -6.432 1.359 9.270 1.00 0.00 S ATOM 8 CE MET A 1 -7.948 1.764 8.367 1.00 0.00 C ATOM 0 H1 MET A 1 -2.387 1.680 8.624 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.017 2.668 7.294 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.820 3.261 8.872 1.00 0.00 H new ATOM 0 HA MET A 1 -4.417 2.531 7.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.989 2.253 10.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.060 4.004 10.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.331 3.398 10.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.279 3.727 8.835 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.443 0.844 8.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.615 2.334 9.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.700 2.358 7.487 1.00 0.00 H new ATOM 20 N ASN A 2 -3.533 4.732 6.410 1.00 0.00 N ATOM 21 CA ASN A 2 -3.516 6.048 5.770 1.00 0.00 C ATOM 22 C ASN A 2 -4.689 6.183 4.798 1.00 0.00 C ATOM 23 O ASN A 2 -4.705 5.569 3.729 1.00 0.00 O ATOM 24 CB ASN A 2 -2.203 6.262 5.014 1.00 0.00 C ATOM 25 CG ASN A 2 -1.103 6.654 5.995 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.516 5.797 6.656 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.781 7.914 6.131 1.00 0.00 N ATOM 0 H ASN A 2 -3.308 3.955 5.789 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.606 6.804 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.924 5.351 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.328 7.041 4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.045 8.185 6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.266 8.626 5.585 1.00 0.00 H new ATOM 34 N ASP A 3 -5.673 6.995 5.193 1.00 0.00 N ATOM 35 CA ASP A 3 -6.863 7.218 4.363 1.00 0.00 C ATOM 36 C ASP A 3 -6.602 8.269 3.273 1.00 0.00 C ATOM 37 O ASP A 3 -7.359 8.362 2.303 1.00 0.00 O ATOM 38 CB ASP A 3 -8.047 7.675 5.230 1.00 0.00 C ATOM 39 CG ASP A 3 -7.724 9.012 5.901 1.00 0.00 C ATOM 40 OD1 ASP A 3 -7.130 8.991 6.967 1.00 0.00 O ATOM 41 OD2 ASP A 3 -8.080 10.036 5.339 1.00 0.00 O ATOM 0 H ASP A 3 -5.671 7.506 6.076 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.103 6.270 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.941 7.775 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.264 6.922 5.988 1.00 0.00 H new ATOM 46 N ILE A 4 -5.534 9.062 3.442 1.00 0.00 N ATOM 47 CA ILE A 4 -5.191 10.107 2.465 1.00 0.00 C ATOM 48 C ILE A 4 -4.966 9.517 1.066 1.00 0.00 C ATOM 49 O ILE A 4 -5.255 10.165 0.058 1.00 0.00 O ATOM 50 CB ILE A 4 -3.932 10.879 2.899 1.00 0.00 C ATOM 51 CG1 ILE A 4 -2.759 9.912 3.121 1.00 0.00 C ATOM 52 CG2 ILE A 4 -4.218 11.633 4.202 1.00 0.00 C ATOM 53 CD1 ILE A 4 -1.882 9.872 1.868 1.00 0.00 C ATOM 0 H ILE A 4 -4.898 9.002 4.237 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.037 10.793 2.425 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.666 11.584 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.169 10.231 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.135 8.914 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.326 12.180 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.037 12.334 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.494 10.922 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.051 9.186 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.475 9.532 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.494 10.870 1.663 1.00 0.00 H new ATOM 65 N TYR A 5 -4.458 8.282 1.017 1.00 0.00 N ATOM 66 CA TYR A 5 -4.209 7.610 -0.265 1.00 0.00 C ATOM 67 C TYR A 5 -5.532 7.266 -0.950 1.00 0.00 C ATOM 68 O TYR A 5 -5.666 7.390 -2.168 1.00 0.00 O ATOM 69 CB TYR A 5 -3.405 6.319 -0.059 1.00 0.00 C ATOM 70 CG TYR A 5 -2.038 6.655 0.489 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.026 7.095 -0.371 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.786 6.533 1.859 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.237 7.414 0.140 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.523 6.849 2.372 1.00 0.00 C ATOM 75 CZ TYR A 5 0.490 7.290 1.512 1.00 0.00 C ATOM 76 OH TYR A 5 1.735 7.605 2.017 1.00 0.00 O ATOM 0 H TYR A 5 -4.213 7.731 1.840 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.636 8.293 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.931 5.657 0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.308 5.785 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.220 7.188 -1.429 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.568 6.194 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.017 7.756 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.330 6.753 3.430 1.00 0.00 H new ATOM 0 HH TYR A 5 1.740 7.464 2.987 1.00 0.00 H new ATOM 86 N LYS A 6 -6.509 6.842 -0.141 1.00 0.00 N ATOM 87 CA LYS A 6 -7.834 6.487 -0.661 1.00 0.00 C ATOM 88 C LYS A 6 -8.597 7.736 -1.121 1.00 0.00 C ATOM 89 O LYS A 6 -9.459 7.657 -1.996 1.00 0.00 O ATOM 90 CB LYS A 6 -8.658 5.769 0.414 1.00 0.00 C ATOM 91 CG LYS A 6 -9.071 4.384 -0.096 1.00 0.00 C ATOM 92 CD LYS A 6 -8.878 3.348 1.017 1.00 0.00 C ATOM 93 CE LYS A 6 -7.457 2.778 0.953 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.443 1.558 0.093 1.00 0.00 N ATOM 0 H LYS A 6 -6.409 6.737 0.869 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.686 5.824 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.074 5.672 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.543 6.356 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.113 4.399 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.474 4.113 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.052 3.809 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.607 2.545 0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.773 3.525 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.108 2.532 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.478 1.174 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.083 0.843 0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.758 1.806 -0.867 1.00 0.00 H new ATOM 108 N ALA A 7 -8.270 8.886 -0.524 1.00 0.00 N ATOM 109 CA ALA A 7 -8.929 10.142 -0.883 1.00 0.00 C ATOM 110 C ALA A 7 -8.522 10.593 -2.291 1.00 0.00 C ATOM 111 O ALA A 7 -9.329 11.171 -3.019 1.00 0.00 O ATOM 112 CB ALA A 7 -8.566 11.244 0.118 1.00 0.00 C ATOM 0 H ALA A 7 -7.560 8.972 0.203 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.005 9.967 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.065 12.171 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.888 10.949 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.487 11.397 0.115 1.00 0.00 H new ATOM 118 N ALA A 8 -7.263 10.322 -2.666 1.00 0.00 N ATOM 119 CA ALA A 8 -6.763 10.708 -3.990 1.00 0.00 C ATOM 120 C ALA A 8 -7.342 9.806 -5.078 1.00 0.00 C ATOM 121 O ALA A 8 -7.769 10.286 -6.130 1.00 0.00 O ATOM 122 CB ALA A 8 -5.235 10.626 -4.034 1.00 0.00 C ATOM 0 H ALA A 8 -6.581 9.843 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.078 11.735 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.883 10.916 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.813 11.299 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.919 9.605 -3.822 1.00 0.00 H new ATOM 128 N VAL A 9 -7.360 8.497 -4.812 1.00 0.00 N ATOM 129 CA VAL A 9 -7.901 7.536 -5.777 1.00 0.00 C ATOM 130 C VAL A 9 -9.419 7.726 -5.942 1.00 0.00 C ATOM 131 O VAL A 9 -9.997 7.334 -6.957 1.00 0.00 O ATOM 132 CB VAL A 9 -7.594 6.096 -5.331 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.443 5.722 -4.112 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.895 5.125 -6.478 1.00 0.00 C ATOM 0 H VAL A 9 -7.011 8.082 -3.948 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.423 7.715 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.540 6.031 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.214 4.700 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.220 6.403 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.500 5.796 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.676 4.106 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.947 5.201 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.276 5.376 -7.339 1.00 0.00 H new ATOM 144 N GLU A 10 -10.053 8.340 -4.936 1.00 0.00 N ATOM 145 CA GLU A 10 -11.493 8.591 -4.984 1.00 0.00 C ATOM 146 C GLU A 10 -11.814 9.856 -5.793 1.00 0.00 C ATOM 147 O GLU A 10 -12.956 10.051 -6.213 1.00 0.00 O ATOM 148 CB GLU A 10 -12.057 8.752 -3.569 1.00 0.00 C ATOM 149 CG GLU A 10 -12.472 7.381 -3.024 1.00 0.00 C ATOM 150 CD GLU A 10 -13.515 7.561 -1.925 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.121 7.772 -0.789 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.694 7.481 -2.234 1.00 0.00 O ATOM 0 H GLU A 10 -9.594 8.669 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.955 7.732 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.309 9.203 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.915 9.424 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.878 6.767 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.601 6.856 -2.631 1.00 0.00 H new ATOM 159 N GLN A 11 -10.805 10.720 -6.005 1.00 0.00 N ATOM 160 CA GLN A 11 -11.024 11.960 -6.758 1.00 0.00 C ATOM 161 C GLN A 11 -10.007 12.128 -7.898 1.00 0.00 C ATOM 162 O GLN A 11 -9.714 13.251 -8.319 1.00 0.00 O ATOM 163 CB GLN A 11 -10.946 13.178 -5.822 1.00 0.00 C ATOM 164 CG GLN A 11 -9.531 13.310 -5.245 1.00 0.00 C ATOM 165 CD GLN A 11 -9.549 14.258 -4.046 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.941 15.327 -4.086 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.213 13.928 -2.971 1.00 0.00 N ATOM 0 H GLN A 11 -9.851 10.584 -5.672 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.020 11.895 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.210 14.084 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.669 13.071 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.159 12.331 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.850 13.687 -6.008 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.718 13.042 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.227 14.556 -2.167 1.00 0.00 H new ATOM 176 N LEU A 12 -9.484 11.008 -8.411 1.00 0.00 N ATOM 177 CA LEU A 12 -8.516 11.067 -9.516 1.00 0.00 C ATOM 178 C LEU A 12 -9.244 11.290 -10.845 1.00 0.00 C ATOM 179 O LEU A 12 -10.476 11.340 -10.893 1.00 0.00 O ATOM 180 CB LEU A 12 -7.676 9.779 -9.604 1.00 0.00 C ATOM 181 CG LEU A 12 -8.396 8.472 -9.250 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.681 8.339 -10.071 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.473 7.289 -9.551 1.00 0.00 C ATOM 0 H LEU A 12 -9.708 10.067 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.844 11.902 -9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.289 9.692 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.816 9.886 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.652 8.480 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.184 7.407 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.340 9.180 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.435 8.335 -11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.981 6.358 -9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.216 7.288 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.563 7.377 -8.957 1.00 0.00 H new ATOM 195 N THR A 13 -8.471 11.429 -11.925 1.00 0.00 N ATOM 196 CA THR A 13 -9.056 11.651 -13.251 1.00 0.00 C ATOM 197 C THR A 13 -9.201 10.333 -14.005 1.00 0.00 C ATOM 198 O THR A 13 -8.629 9.310 -13.619 1.00 0.00 O ATOM 199 CB THR A 13 -8.184 12.603 -14.088 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.856 12.624 -13.577 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.774 14.012 -14.044 1.00 0.00 C ATOM 0 H THR A 13 -7.452 11.393 -11.910 1.00 0.00 H new ATOM 0 HA THR A 13 -10.038 12.099 -13.100 1.00 0.00 H new ATOM 0 HB THR A 13 -8.162 12.251 -15.119 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.307 13.231 -14.117 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.155 14.684 -14.638 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.785 13.996 -14.451 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.804 14.362 -13.012 1.00 0.00 H new ATOM 209 N ASP A 14 -9.956 10.378 -15.105 1.00 0.00 N ATOM 210 CA ASP A 14 -10.158 9.193 -15.936 1.00 0.00 C ATOM 211 C ASP A 14 -8.869 8.868 -16.687 1.00 0.00 C ATOM 212 O ASP A 14 -8.565 7.703 -16.951 1.00 0.00 O ATOM 213 CB ASP A 14 -11.285 9.423 -16.947 1.00 0.00 C ATOM 214 CG ASP A 14 -11.876 8.080 -17.371 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.759 7.599 -16.681 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.435 7.554 -18.380 1.00 0.00 O ATOM 0 H ASP A 14 -10.433 11.216 -15.438 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.432 8.361 -15.287 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.060 10.050 -16.506 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.903 9.955 -17.818 1.00 0.00 H new ATOM 221 N GLU A 15 -8.108 9.921 -17.009 1.00 0.00 N ATOM 222 CA GLU A 15 -6.837 9.761 -17.716 1.00 0.00 C ATOM 223 C GLU A 15 -5.851 8.956 -16.863 1.00 0.00 C ATOM 224 O GLU A 15 -5.071 8.162 -17.390 1.00 0.00 O ATOM 225 CB GLU A 15 -6.236 11.134 -18.049 1.00 0.00 C ATOM 226 CG GLU A 15 -5.793 11.848 -16.765 1.00 0.00 C ATOM 227 CD GLU A 15 -5.835 13.358 -16.976 1.00 0.00 C ATOM 228 OE1 GLU A 15 -6.893 13.935 -16.784 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.808 13.916 -17.325 1.00 0.00 O ATOM 0 H GLU A 15 -8.351 10.887 -16.791 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.025 9.222 -18.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.384 11.013 -18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.971 11.742 -18.576 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.446 11.568 -15.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.784 11.537 -16.494 1.00 0.00 H new ATOM 236 N GLN A 16 -5.915 9.158 -15.539 1.00 0.00 N ATOM 237 CA GLN A 16 -5.044 8.440 -14.606 1.00 0.00 C ATOM 238 C GLN A 16 -5.345 6.945 -14.661 1.00 0.00 C ATOM 239 O GLN A 16 -4.435 6.113 -14.644 1.00 0.00 O ATOM 240 CB GLN A 16 -5.267 8.944 -13.173 1.00 0.00 C ATOM 241 CG GLN A 16 -3.959 8.856 -12.380 1.00 0.00 C ATOM 242 CD GLN A 16 -4.143 7.928 -11.180 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.900 8.324 -10.040 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.561 6.704 -11.368 1.00 0.00 N ATOM 0 H GLN A 16 -6.560 9.811 -15.094 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.008 8.618 -14.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.623 9.974 -13.192 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.039 8.349 -12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.159 8.484 -13.020 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.661 9.848 -12.042 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.763 6.373 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.685 6.079 -10.571 1.00 0.00 H new ATOM 253 N LYS A 17 -6.640 6.620 -14.742 1.00 0.00 N ATOM 254 CA LYS A 17 -7.078 5.226 -14.815 1.00 0.00 C ATOM 255 C LYS A 17 -6.594 4.589 -16.118 1.00 0.00 C ATOM 256 O LYS A 17 -6.223 3.419 -16.144 1.00 0.00 O ATOM 257 CB LYS A 17 -8.611 5.128 -14.763 1.00 0.00 C ATOM 258 CG LYS A 17 -9.156 5.887 -13.547 1.00 0.00 C ATOM 259 CD LYS A 17 -8.779 5.147 -12.259 1.00 0.00 C ATOM 260 CE LYS A 17 -10.051 4.750 -11.502 1.00 0.00 C ATOM 261 NZ LYS A 17 -9.741 4.556 -10.054 1.00 0.00 N ATOM 0 H LYS A 17 -7.399 7.302 -14.758 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.653 4.700 -13.960 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.039 5.539 -15.677 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.913 4.082 -14.712 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.751 6.899 -13.527 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.240 5.979 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.193 4.259 -12.496 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.154 5.783 -11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.811 5.523 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.462 3.832 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.123 3.642 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.710 4.567 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.173 5.323 -9.501 1.00 0.00 H new ATOM 275 N ASN A 18 -6.606 5.378 -17.201 1.00 0.00 N ATOM 276 CA ASN A 18 -6.171 4.882 -18.511 1.00 0.00 C ATOM 277 C ASN A 18 -4.665 4.600 -18.535 1.00 0.00 C ATOM 278 O ASN A 18 -4.217 3.669 -19.206 1.00 0.00 O ATOM 279 CB ASN A 18 -6.500 5.900 -19.611 1.00 0.00 C ATOM 280 CG ASN A 18 -7.985 5.816 -19.961 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.460 4.783 -20.435 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.753 6.853 -19.760 1.00 0.00 N ATOM 0 H ASN A 18 -6.909 6.352 -17.196 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.708 3.951 -18.694 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.252 6.907 -19.275 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.896 5.702 -20.496 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.744 6.807 -19.995 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.361 7.709 -19.368 1.00 0.00 H new ATOM 289 N GLU A 19 -3.889 5.408 -17.799 1.00 0.00 N ATOM 290 CA GLU A 19 -2.428 5.219 -17.753 1.00 0.00 C ATOM 291 C GLU A 19 -2.088 3.824 -17.239 1.00 0.00 C ATOM 292 O GLU A 19 -1.238 3.128 -17.799 1.00 0.00 O ATOM 293 CB GLU A 19 -1.754 6.239 -16.822 1.00 0.00 C ATOM 294 CG GLU A 19 -2.323 7.638 -17.063 1.00 0.00 C ATOM 295 CD GLU A 19 -1.219 8.679 -16.906 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.560 8.968 -17.892 1.00 0.00 O ATOM 297 OE2 GLU A 19 -1.052 9.173 -15.803 1.00 0.00 O ATOM 0 H GLU A 19 -4.237 6.185 -17.237 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.060 5.356 -18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.909 5.950 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.678 6.243 -16.994 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.753 7.698 -18.063 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.129 7.840 -16.357 1.00 0.00 H new ATOM 304 N PHE A 20 -2.760 3.434 -16.155 1.00 0.00 N ATOM 305 CA PHE A 20 -2.529 2.129 -15.540 1.00 0.00 C ATOM 306 C PHE A 20 -3.322 1.026 -16.238 1.00 0.00 C ATOM 307 O PHE A 20 -2.793 -0.051 -16.491 1.00 0.00 O ATOM 308 CB PHE A 20 -2.932 2.165 -14.067 1.00 0.00 C ATOM 309 CG PHE A 20 -1.822 2.786 -13.256 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.764 4.175 -13.094 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.853 1.972 -12.661 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.739 4.745 -12.335 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.174 2.541 -11.905 1.00 0.00 C ATOM 314 CZ PHE A 20 0.231 3.928 -11.739 1.00 0.00 C ATOM 0 H PHE A 20 -3.466 4.002 -15.687 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.466 1.909 -15.638 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.851 2.738 -13.944 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.136 1.156 -13.710 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.510 4.805 -13.555 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.899 0.900 -12.787 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.694 5.817 -12.207 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.923 1.911 -11.449 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.022 4.370 -11.152 1.00 0.00 H new ATOM 324 N LYS A 21 -4.598 1.298 -16.537 1.00 0.00 N ATOM 325 CA LYS A 21 -5.457 0.304 -17.195 1.00 0.00 C ATOM 326 C LYS A 21 -4.815 -0.210 -18.487 1.00 0.00 C ATOM 327 O LYS A 21 -4.889 -1.402 -18.786 1.00 0.00 O ATOM 328 CB LYS A 21 -6.833 0.901 -17.508 1.00 0.00 C ATOM 329 CG LYS A 21 -7.755 -0.184 -18.079 1.00 0.00 C ATOM 330 CD LYS A 21 -7.850 -0.029 -19.601 1.00 0.00 C ATOM 331 CE LYS A 21 -8.315 -1.349 -20.223 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.804 -1.378 -20.281 1.00 0.00 N ATOM 0 H LYS A 21 -5.055 2.187 -16.337 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.578 -0.533 -16.507 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.270 1.323 -16.603 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.731 1.717 -18.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.370 -1.172 -17.827 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.746 -0.105 -17.633 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.548 0.769 -19.853 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.880 0.255 -20.009 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.900 -1.456 -21.225 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.948 -2.189 -19.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.118 -2.275 -20.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.191 -1.295 -19.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.144 -0.585 -20.861 1.00 0.00 H new ATOM 346 N ALA A 22 -4.175 0.695 -19.238 1.00 0.00 N ATOM 347 CA ALA A 22 -3.511 0.315 -20.491 1.00 0.00 C ATOM 348 C ALA A 22 -2.449 -0.755 -20.231 1.00 0.00 C ATOM 349 O ALA A 22 -2.393 -1.774 -20.921 1.00 0.00 O ATOM 350 CB ALA A 22 -2.841 1.530 -21.135 1.00 0.00 C ATOM 0 H ALA A 22 -4.103 1.685 -19.003 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.271 -0.080 -21.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.354 1.228 -22.062 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.593 2.289 -21.350 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.097 1.940 -20.452 1.00 0.00 H new ATOM 356 N ALA A 23 -1.625 -0.517 -19.212 1.00 0.00 N ATOM 357 CA ALA A 23 -0.579 -1.467 -18.838 1.00 0.00 C ATOM 358 C ALA A 23 -1.196 -2.677 -18.135 1.00 0.00 C ATOM 359 O ALA A 23 -0.662 -3.783 -18.185 1.00 0.00 O ATOM 360 CB ALA A 23 0.424 -0.806 -17.893 1.00 0.00 C ATOM 0 H ALA A 23 -1.661 0.322 -18.633 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.068 -1.789 -19.746 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.197 -1.525 -17.623 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.882 0.050 -18.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.091 -0.471 -16.993 1.00 0.00 H new ATOM 366 N PHE A 24 -2.328 -2.443 -17.473 1.00 0.00 N ATOM 367 CA PHE A 24 -3.026 -3.500 -16.751 1.00 0.00 C ATOM 368 C PHE A 24 -3.564 -4.564 -17.706 1.00 0.00 C ATOM 369 O PHE A 24 -3.482 -5.755 -17.412 1.00 0.00 O ATOM 370 CB PHE A 24 -4.197 -2.908 -15.954 1.00 0.00 C ATOM 371 CG PHE A 24 -4.627 -3.872 -14.872 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.435 -4.970 -15.192 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.225 -3.664 -13.549 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.838 -5.855 -14.188 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.627 -4.549 -12.547 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.434 -5.644 -12.866 1.00 0.00 C ATOM 0 H PHE A 24 -2.780 -1.530 -17.423 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.310 -3.966 -16.074 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.901 -1.958 -15.509 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.034 -2.701 -16.621 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.746 -5.133 -16.213 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.602 -2.817 -13.302 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.462 -6.702 -14.433 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.314 -4.387 -11.526 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.746 -6.328 -12.091 1.00 0.00 H new ATOM 386 N ASP A 25 -4.131 -4.133 -18.842 1.00 0.00 N ATOM 387 CA ASP A 25 -4.700 -5.089 -19.801 1.00 0.00 C ATOM 388 C ASP A 25 -3.621 -5.876 -20.557 1.00 0.00 C ATOM 389 O ASP A 25 -3.866 -7.003 -20.990 1.00 0.00 O ATOM 390 CB ASP A 25 -5.638 -4.394 -20.806 1.00 0.00 C ATOM 391 CG ASP A 25 -4.898 -3.338 -21.630 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.091 -3.713 -22.465 1.00 0.00 O ATOM 393 OD2 ASP A 25 -5.174 -2.168 -21.430 1.00 0.00 O ATOM 0 H ASP A 25 -4.207 -3.153 -19.115 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.279 -5.798 -19.209 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.073 -5.138 -21.473 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.463 -3.925 -20.270 1.00 0.00 H new ATOM 398 N ILE A 26 -2.432 -5.286 -20.716 1.00 0.00 N ATOM 399 CA ILE A 26 -1.346 -5.974 -21.429 1.00 0.00 C ATOM 400 C ILE A 26 -0.660 -7.001 -20.521 1.00 0.00 C ATOM 401 O ILE A 26 -0.283 -8.083 -20.974 1.00 0.00 O ATOM 402 CB ILE A 26 -0.300 -4.981 -21.967 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.227 -4.097 -20.830 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.940 -4.099 -23.043 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.391 -3.241 -21.333 1.00 0.00 C ATOM 0 H ILE A 26 -2.198 -4.355 -20.370 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.798 -6.490 -22.276 1.00 0.00 H new ATOM 0 HB ILE A 26 0.532 -5.541 -22.395 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.572 -3.457 -20.456 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.555 -4.718 -19.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.200 -3.396 -23.424 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.300 -4.725 -23.859 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.776 -3.548 -22.612 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.760 -2.616 -20.520 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.193 -3.889 -21.686 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.050 -2.608 -22.152 1.00 0.00 H new ATOM 417 N PHE A 27 -0.507 -6.655 -19.237 1.00 0.00 N ATOM 418 CA PHE A 27 0.132 -7.564 -18.281 1.00 0.00 C ATOM 419 C PHE A 27 -0.811 -8.715 -17.900 1.00 0.00 C ATOM 420 O PHE A 27 -0.368 -9.853 -17.733 1.00 0.00 O ATOM 421 CB PHE A 27 0.570 -6.810 -17.014 1.00 0.00 C ATOM 422 CG PHE A 27 1.696 -5.852 -17.357 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.749 -6.268 -18.183 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.680 -4.543 -16.857 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.780 -5.380 -18.508 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.716 -3.655 -17.182 1.00 0.00 C ATOM 427 CZ PHE A 27 3.764 -4.074 -18.009 1.00 0.00 C ATOM 0 H PHE A 27 -0.812 -5.766 -18.841 1.00 0.00 H new ATOM 0 HA PHE A 27 1.015 -7.981 -18.765 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.273 -6.261 -16.595 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.900 -7.517 -16.253 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.765 -7.276 -18.569 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.870 -4.218 -16.221 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.590 -5.704 -19.145 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.705 -2.647 -16.794 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.560 -3.389 -18.262 1.00 0.00 H new ATOM 437 N ILE A 28 -2.115 -8.417 -17.781 1.00 0.00 N ATOM 438 CA ILE A 28 -3.101 -9.456 -17.439 1.00 0.00 C ATOM 439 C ILE A 28 -3.758 -10.042 -18.703 1.00 0.00 C ATOM 440 O ILE A 28 -4.741 -10.780 -18.610 1.00 0.00 O ATOM 441 CB ILE A 28 -4.207 -8.904 -16.513 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.129 -7.952 -17.291 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.579 -8.151 -15.338 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.394 -8.697 -17.728 1.00 0.00 C ATOM 0 H ILE A 28 -2.506 -7.484 -17.913 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.556 -10.242 -16.917 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.793 -9.743 -16.137 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.396 -7.099 -16.667 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.608 -7.559 -18.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.366 -7.765 -14.690 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.942 -8.829 -14.770 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.981 -7.322 -15.715 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.044 -8.018 -18.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.120 -9.536 -18.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.920 -9.069 -16.848 1.00 0.00 H new ATOM 456 N GLN A 29 -3.211 -9.705 -19.881 1.00 0.00 N ATOM 457 CA GLN A 29 -3.753 -10.196 -21.157 1.00 0.00 C ATOM 458 C GLN A 29 -3.994 -11.712 -21.128 1.00 0.00 C ATOM 459 O GLN A 29 -5.003 -12.201 -21.639 1.00 0.00 O ATOM 460 CB GLN A 29 -2.781 -9.869 -22.296 1.00 0.00 C ATOM 461 CG GLN A 29 -3.328 -10.408 -23.620 1.00 0.00 C ATOM 462 CD GLN A 29 -2.545 -9.802 -24.781 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.828 -10.508 -25.489 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.642 -8.521 -25.022 1.00 0.00 N ATOM 0 H GLN A 29 -2.397 -9.097 -19.976 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.709 -9.698 -21.319 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.637 -8.791 -22.364 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.805 -10.309 -22.090 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.249 -11.495 -23.642 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.386 -10.164 -23.715 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.236 -7.935 -24.435 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.123 -8.107 -25.797 1.00 0.00 H new ATOM 473 N ASP A 30 -3.052 -12.443 -20.529 1.00 0.00 N ATOM 474 CA ASP A 30 -3.158 -13.906 -20.441 1.00 0.00 C ATOM 475 C ASP A 30 -3.633 -14.364 -19.051 1.00 0.00 C ATOM 476 O ASP A 30 -3.546 -15.548 -18.717 1.00 0.00 O ATOM 477 CB ASP A 30 -1.799 -14.556 -20.750 1.00 0.00 C ATOM 478 CG ASP A 30 -0.744 -14.064 -19.757 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.172 -13.013 -19.999 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.521 -14.749 -18.771 1.00 0.00 O ATOM 0 H ASP A 30 -2.213 -12.053 -20.100 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.898 -14.221 -21.176 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.885 -15.641 -20.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.494 -14.313 -21.768 1.00 0.00 H new ATOM 485 N ALA A 31 -4.143 -13.422 -18.249 1.00 0.00 N ATOM 486 CA ALA A 31 -4.631 -13.744 -16.909 1.00 0.00 C ATOM 487 C ALA A 31 -6.151 -13.882 -16.907 1.00 0.00 C ATOM 488 O ALA A 31 -6.850 -13.255 -17.708 1.00 0.00 O ATOM 489 CB ALA A 31 -4.233 -12.651 -15.915 1.00 0.00 C ATOM 0 H ALA A 31 -4.227 -12.438 -18.505 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.180 -14.691 -16.611 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.605 -12.908 -14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.147 -12.565 -15.884 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.663 -11.700 -16.228 1.00 0.00 H new ATOM 495 N GLU A 32 -6.651 -14.708 -15.988 1.00 0.00 N ATOM 496 CA GLU A 32 -8.094 -14.930 -15.867 1.00 0.00 C ATOM 497 C GLU A 32 -8.553 -14.660 -14.429 1.00 0.00 C ATOM 498 O GLU A 32 -9.342 -15.417 -13.857 1.00 0.00 O ATOM 499 CB GLU A 32 -8.447 -16.373 -16.254 1.00 0.00 C ATOM 500 CG GLU A 32 -8.251 -16.569 -17.762 1.00 0.00 C ATOM 501 CD GLU A 32 -9.385 -15.887 -18.524 1.00 0.00 C ATOM 502 OE1 GLU A 32 -10.451 -16.474 -18.613 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.170 -14.788 -19.010 1.00 0.00 O ATOM 0 H GLU A 32 -6.084 -15.231 -15.321 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.605 -14.244 -16.543 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.818 -17.071 -15.702 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.480 -16.590 -15.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.292 -16.153 -18.070 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.229 -17.632 -18.000 1.00 0.00 H new ATOM 510 N ASP A 33 -8.043 -13.566 -13.852 1.00 0.00 N ATOM 511 CA ASP A 33 -8.396 -13.195 -12.479 1.00 0.00 C ATOM 512 C ASP A 33 -8.731 -11.705 -12.382 1.00 0.00 C ATOM 513 O ASP A 33 -9.753 -11.326 -11.805 1.00 0.00 O ATOM 514 CB ASP A 33 -7.239 -13.510 -11.526 1.00 0.00 C ATOM 515 CG ASP A 33 -7.790 -13.849 -10.143 1.00 0.00 C ATOM 516 OD1 ASP A 33 -8.059 -15.016 -9.903 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.938 -12.936 -9.346 1.00 0.00 O ATOM 0 H ASP A 33 -7.391 -12.929 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.273 -13.776 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.656 -14.346 -11.911 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.566 -12.655 -11.461 1.00 0.00 H new ATOM 522 N GLY A 34 -7.856 -10.867 -12.944 1.00 0.00 N ATOM 523 CA GLY A 34 -8.056 -9.417 -12.913 1.00 0.00 C ATOM 524 C GLY A 34 -7.011 -8.745 -12.023 1.00 0.00 C ATOM 525 O GLY A 34 -7.327 -7.837 -11.251 1.00 0.00 O ATOM 0 H GLY A 34 -7.007 -11.166 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.992 -9.015 -13.924 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.056 -9.191 -12.542 1.00 0.00 H new ATOM 529 N CYS A 35 -5.762 -9.205 -12.143 1.00 0.00 N ATOM 530 CA CYS A 35 -4.658 -8.655 -11.354 1.00 0.00 C ATOM 531 C CYS A 35 -3.322 -8.968 -12.025 1.00 0.00 C ATOM 532 O CYS A 35 -3.148 -10.035 -12.619 1.00 0.00 O ATOM 533 CB CYS A 35 -4.658 -9.240 -9.938 1.00 0.00 C ATOM 534 SG CYS A 35 -4.697 -11.049 -10.020 1.00 0.00 S ATOM 0 H CYS A 35 -5.491 -9.956 -12.778 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.793 -7.575 -11.293 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.770 -8.911 -9.399 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.522 -8.873 -9.383 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.095 -11.447 -11.101 1.00 0.00 H new ATOM 540 N ILE A 36 -2.376 -8.029 -11.924 1.00 0.00 N ATOM 541 CA ILE A 36 -1.055 -8.227 -12.528 1.00 0.00 C ATOM 542 C ILE A 36 -0.125 -8.928 -11.535 1.00 0.00 C ATOM 543 O ILE A 36 -0.478 -9.128 -10.371 1.00 0.00 O ATOM 544 CB ILE A 36 -0.427 -6.888 -12.971 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.070 -6.099 -11.750 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.460 -6.049 -13.734 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.601 -6.155 -11.695 1.00 0.00 C ATOM 0 H ILE A 36 -2.496 -7.140 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.185 -8.850 -13.413 1.00 0.00 H new ATOM 0 HB ILE A 36 0.419 -7.104 -13.624 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.265 -5.064 -11.812 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.353 -6.517 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.007 -5.107 -14.042 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.794 -6.596 -14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.314 -5.847 -13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.955 -5.595 -10.829 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.924 -7.193 -11.613 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.014 -5.717 -12.604 1.00 0.00 H new ATOM 559 N SER A 37 1.064 -9.298 -12.008 1.00 0.00 N ATOM 560 CA SER A 37 2.034 -9.978 -11.152 1.00 0.00 C ATOM 561 C SER A 37 2.962 -8.965 -10.481 1.00 0.00 C ATOM 562 O SER A 37 3.773 -8.315 -11.144 1.00 0.00 O ATOM 563 CB SER A 37 2.872 -10.968 -11.968 1.00 0.00 C ATOM 564 OG SER A 37 3.160 -12.108 -11.170 1.00 0.00 O ATOM 0 H SER A 37 1.376 -9.141 -12.966 1.00 0.00 H new ATOM 0 HA SER A 37 1.481 -10.521 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.331 -11.266 -12.866 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.798 -10.495 -12.295 1.00 0.00 H new ATOM 0 HG SER A 37 3.695 -12.744 -11.689 1.00 0.00 H new ATOM 570 N THR A 38 2.830 -8.845 -9.156 1.00 0.00 N ATOM 571 CA THR A 38 3.662 -7.915 -8.380 1.00 0.00 C ATOM 572 C THR A 38 5.148 -8.182 -8.635 1.00 0.00 C ATOM 573 O THR A 38 5.944 -7.250 -8.767 1.00 0.00 O ATOM 574 CB THR A 38 3.389 -8.062 -6.876 1.00 0.00 C ATOM 575 OG1 THR A 38 3.655 -9.398 -6.469 1.00 0.00 O ATOM 576 CG2 THR A 38 1.929 -7.717 -6.577 1.00 0.00 C ATOM 0 H THR A 38 2.160 -9.376 -8.600 1.00 0.00 H new ATOM 0 HA THR A 38 3.408 -6.904 -8.699 1.00 0.00 H new ATOM 0 HB THR A 38 4.039 -7.380 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.931 -9.983 -6.775 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.742 -7.823 -5.509 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.728 -6.689 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.275 -8.392 -7.129 1.00 0.00 H new ATOM 584 N LYS A 39 5.504 -9.469 -8.710 1.00 0.00 N ATOM 585 CA LYS A 39 6.890 -9.867 -8.961 1.00 0.00 C ATOM 586 C LYS A 39 7.337 -9.448 -10.369 1.00 0.00 C ATOM 587 O LYS A 39 8.527 -9.240 -10.613 1.00 0.00 O ATOM 588 CB LYS A 39 7.054 -11.386 -8.803 1.00 0.00 C ATOM 589 CG LYS A 39 5.953 -12.123 -9.579 1.00 0.00 C ATOM 590 CD LYS A 39 6.583 -12.988 -10.668 1.00 0.00 C ATOM 591 CE LYS A 39 6.925 -14.368 -10.100 1.00 0.00 C ATOM 592 NZ LYS A 39 7.203 -15.314 -11.218 1.00 0.00 N ATOM 0 H LYS A 39 4.854 -10.248 -8.601 1.00 0.00 H new ATOM 0 HA LYS A 39 7.517 -9.360 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.034 -11.693 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.008 -11.656 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.369 -12.744 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.265 -11.404 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.895 -13.090 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.484 -12.508 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.794 -14.298 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.098 -14.738 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.435 -16.251 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.363 -15.389 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.006 -14.963 -11.779 1.00 0.00 H new ATOM 606 N GLU A 40 6.368 -9.310 -11.288 1.00 0.00 N ATOM 607 CA GLU A 40 6.673 -8.895 -12.659 1.00 0.00 C ATOM 608 C GLU A 40 6.307 -7.421 -12.873 1.00 0.00 C ATOM 609 O GLU A 40 6.115 -6.978 -14.010 1.00 0.00 O ATOM 610 CB GLU A 40 5.897 -9.751 -13.672 1.00 0.00 C ATOM 611 CG GLU A 40 6.272 -11.226 -13.505 1.00 0.00 C ATOM 612 CD GLU A 40 7.632 -11.489 -14.146 1.00 0.00 C ATOM 613 OE1 GLU A 40 7.663 -11.749 -15.338 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.622 -11.426 -13.435 1.00 0.00 O ATOM 0 H GLU A 40 5.379 -9.478 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 40 7.743 -9.031 -12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.825 -9.621 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.122 -9.422 -14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.302 -11.486 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.514 -11.858 -13.967 1.00 0.00 H new ATOM 621 N LEU A 41 6.217 -6.657 -11.773 1.00 0.00 N ATOM 622 CA LEU A 41 5.879 -5.237 -11.864 1.00 0.00 C ATOM 623 C LEU A 41 7.057 -4.413 -12.402 1.00 0.00 C ATOM 624 O LEU A 41 6.896 -3.232 -12.703 1.00 0.00 O ATOM 625 CB LEU A 41 5.459 -4.680 -10.501 1.00 0.00 C ATOM 626 CG LEU A 41 4.434 -3.539 -10.558 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.327 -3.785 -9.532 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.128 -2.210 -10.249 1.00 0.00 C ATOM 0 H LEU A 41 6.372 -6.997 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 41 5.043 -5.156 -12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.044 -5.493 -9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.348 -4.325 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 41 3.998 -3.499 -11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.602 -2.972 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.828 -4.728 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.760 -3.830 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.399 -1.401 -10.290 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.568 -2.252 -9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.912 -2.029 -10.984 1.00 0.00 H new ATOM 640 N GLY A 42 8.236 -5.042 -12.539 1.00 0.00 N ATOM 641 CA GLY A 42 9.413 -4.344 -13.067 1.00 0.00 C ATOM 642 C GLY A 42 9.111 -3.743 -14.444 1.00 0.00 C ATOM 643 O GLY A 42 9.558 -2.640 -14.763 1.00 0.00 O ATOM 0 H GLY A 42 8.396 -6.019 -12.294 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.714 -3.555 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.250 -5.038 -13.143 1.00 0.00 H new ATOM 647 N LYS A 43 8.328 -4.481 -15.244 1.00 0.00 N ATOM 648 CA LYS A 43 7.940 -4.017 -16.584 1.00 0.00 C ATOM 649 C LYS A 43 6.957 -2.842 -16.487 1.00 0.00 C ATOM 650 O LYS A 43 6.816 -2.056 -17.426 1.00 0.00 O ATOM 651 CB LYS A 43 7.275 -5.150 -17.379 1.00 0.00 C ATOM 652 CG LYS A 43 8.204 -6.370 -17.425 1.00 0.00 C ATOM 653 CD LYS A 43 8.924 -6.423 -18.776 1.00 0.00 C ATOM 654 CE LYS A 43 8.481 -7.670 -19.550 1.00 0.00 C ATOM 655 NZ LYS A 43 9.191 -8.870 -19.018 1.00 0.00 N ATOM 0 H LYS A 43 7.953 -5.395 -14.989 1.00 0.00 H new ATOM 0 HA LYS A 43 8.847 -3.694 -17.096 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.326 -5.422 -16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.052 -4.813 -18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.933 -6.315 -16.616 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.628 -7.283 -17.273 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.700 -5.526 -19.354 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.003 -6.442 -18.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.403 -7.803 -19.458 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.698 -7.548 -20.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.889 -9.714 -19.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.217 -8.743 -19.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.962 -8.990 -18.011 1.00 0.00 H new ATOM 669 N VAL A 44 6.290 -2.729 -15.332 1.00 0.00 N ATOM 670 CA VAL A 44 5.332 -1.649 -15.096 1.00 0.00 C ATOM 671 C VAL A 44 6.064 -0.427 -14.555 1.00 0.00 C ATOM 672 O VAL A 44 5.837 0.694 -15.002 1.00 0.00 O ATOM 673 CB VAL A 44 4.268 -2.059 -14.068 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.054 -1.142 -14.210 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.837 -3.514 -14.291 1.00 0.00 C ATOM 0 H VAL A 44 6.398 -3.373 -14.549 1.00 0.00 H new ATOM 0 HA VAL A 44 4.846 -1.425 -16.045 1.00 0.00 H new ATOM 0 HB VAL A 44 4.690 -1.969 -13.067 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.295 -1.428 -13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.355 -0.110 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.645 -1.233 -15.216 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.083 -3.787 -13.553 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.420 -3.621 -15.293 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.701 -4.170 -14.186 1.00 0.00 H new ATOM 685 N MET A 45 6.948 -0.670 -13.581 1.00 0.00 N ATOM 686 CA MET A 45 7.728 0.404 -12.966 1.00 0.00 C ATOM 687 C MET A 45 8.464 1.207 -14.035 1.00 0.00 C ATOM 688 O MET A 45 8.460 2.434 -14.005 1.00 0.00 O ATOM 689 CB MET A 45 8.751 -0.163 -11.977 1.00 0.00 C ATOM 690 CG MET A 45 8.024 -0.757 -10.768 1.00 0.00 C ATOM 691 SD MET A 45 9.202 -1.021 -9.422 1.00 0.00 S ATOM 692 CE MET A 45 10.094 -2.407 -10.171 1.00 0.00 C ATOM 0 H MET A 45 7.139 -1.598 -13.204 1.00 0.00 H new ATOM 0 HA MET A 45 7.035 1.054 -12.432 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.355 -0.929 -12.463 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.433 0.623 -11.653 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.229 -0.086 -10.443 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.552 -1.701 -11.042 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.907 -2.715 -9.513 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.410 -3.243 -10.318 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.503 -2.099 -11.133 1.00 0.00 H new ATOM 702 N ARG A 46 9.081 0.500 -14.990 1.00 0.00 N ATOM 703 CA ARG A 46 9.807 1.170 -16.076 1.00 0.00 C ATOM 704 C ARG A 46 8.853 2.037 -16.908 1.00 0.00 C ATOM 705 O ARG A 46 9.234 3.098 -17.406 1.00 0.00 O ATOM 706 CB ARG A 46 10.505 0.148 -16.988 1.00 0.00 C ATOM 707 CG ARG A 46 9.480 -0.834 -17.564 1.00 0.00 C ATOM 708 CD ARG A 46 10.128 -1.668 -18.673 1.00 0.00 C ATOM 709 NE ARG A 46 9.168 -1.923 -19.751 1.00 0.00 N ATOM 710 CZ ARG A 46 8.888 -0.999 -20.683 1.00 0.00 C ATOM 711 NH1 ARG A 46 9.472 0.177 -20.660 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.021 -1.272 -21.625 1.00 0.00 N ATOM 0 H ARG A 46 9.093 -0.519 -15.034 1.00 0.00 H new ATOM 0 HA ARG A 46 10.566 1.807 -15.622 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.020 0.665 -17.798 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.263 -0.395 -16.424 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.106 -1.488 -16.776 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.623 -0.289 -17.960 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.998 -1.144 -19.069 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.484 -2.613 -18.264 1.00 0.00 H new ATOM 0 HE ARG A 46 8.700 -2.828 -19.794 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.147 0.397 -19.928 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.250 0.871 -21.374 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.562 -2.183 -21.648 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.804 -0.574 -22.336 1.00 0.00 H new ATOM 726 N MET A 47 7.602 1.576 -17.037 1.00 0.00 N ATOM 727 CA MET A 47 6.583 2.313 -17.790 1.00 0.00 C ATOM 728 C MET A 47 6.075 3.512 -16.983 1.00 0.00 C ATOM 729 O MET A 47 5.717 4.547 -17.550 1.00 0.00 O ATOM 730 CB MET A 47 5.398 1.397 -18.123 1.00 0.00 C ATOM 731 CG MET A 47 5.716 0.579 -19.378 1.00 0.00 C ATOM 732 SD MET A 47 5.228 1.513 -20.850 1.00 0.00 S ATOM 733 CE MET A 47 6.850 2.228 -21.219 1.00 0.00 C ATOM 0 H MET A 47 7.274 0.700 -16.631 1.00 0.00 H new ATOM 0 HA MET A 47 7.041 2.668 -18.713 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.194 0.731 -17.285 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.499 1.992 -18.283 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.781 0.351 -19.416 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.187 -0.374 -19.347 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.800 3.312 -21.121 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.589 1.834 -20.521 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.139 1.969 -22.238 1.00 0.00 H new ATOM 743 N LEU A 48 6.054 3.362 -15.653 1.00 0.00 N ATOM 744 CA LEU A 48 5.597 4.434 -14.763 1.00 0.00 C ATOM 745 C LEU A 48 6.687 5.500 -14.603 1.00 0.00 C ATOM 746 O LEU A 48 6.391 6.682 -14.421 1.00 0.00 O ATOM 747 CB LEU A 48 5.245 3.865 -13.382 1.00 0.00 C ATOM 748 CG LEU A 48 3.777 3.459 -13.184 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.308 2.595 -14.360 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.639 2.658 -11.884 1.00 0.00 C ATOM 0 H LEU A 48 6.347 2.512 -15.172 1.00 0.00 H new ATOM 0 HA LEU A 48 4.711 4.888 -15.207 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.872 2.993 -13.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.503 4.608 -12.627 1.00 0.00 H new ATOM 0 HG LEU A 48 3.164 4.359 -13.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.266 2.312 -14.211 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.401 3.161 -15.287 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.923 1.697 -14.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.597 2.370 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.259 1.763 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.963 3.271 -11.043 1.00 0.00 H new ATOM 762 N GLY A 49 7.949 5.063 -14.679 1.00 0.00 N ATOM 763 CA GLY A 49 9.089 5.978 -14.548 1.00 0.00 C ATOM 764 C GLY A 49 9.972 5.621 -13.346 1.00 0.00 C ATOM 765 O GLY A 49 10.579 6.502 -12.734 1.00 0.00 O ATOM 0 H GLY A 49 8.206 4.088 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.686 5.947 -15.459 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.724 7.000 -14.440 1.00 0.00 H new ATOM 769 N GLN A 50 10.044 4.326 -13.020 1.00 0.00 N ATOM 770 CA GLN A 50 10.859 3.860 -11.891 1.00 0.00 C ATOM 771 C GLN A 50 11.714 2.664 -12.313 1.00 0.00 C ATOM 772 O GLN A 50 11.353 1.919 -13.229 1.00 0.00 O ATOM 773 CB GLN A 50 9.971 3.439 -10.709 1.00 0.00 C ATOM 774 CG GLN A 50 8.922 4.522 -10.411 1.00 0.00 C ATOM 775 CD GLN A 50 9.599 5.776 -9.859 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.500 5.689 -9.023 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.211 6.951 -10.278 1.00 0.00 N ATOM 0 H GLN A 50 9.551 3.585 -13.518 1.00 0.00 H new ATOM 0 HA GLN A 50 11.500 4.686 -11.583 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.474 2.496 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.587 3.269 -9.826 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.373 4.767 -11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.195 4.146 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.465 7.025 -10.970 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.654 7.794 -9.913 1.00 0.00 H new ATOM 786 N ASN A 51 12.854 2.482 -11.637 1.00 0.00 N ATOM 787 CA ASN A 51 13.753 1.366 -11.956 1.00 0.00 C ATOM 788 C ASN A 51 14.535 0.908 -10.715 1.00 0.00 C ATOM 789 O ASN A 51 15.763 1.028 -10.658 1.00 0.00 O ATOM 790 CB ASN A 51 14.740 1.765 -13.069 1.00 0.00 C ATOM 791 CG ASN A 51 15.292 3.174 -12.829 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.478 3.595 -11.686 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.573 3.934 -13.852 1.00 0.00 N ATOM 0 H ASN A 51 13.173 3.083 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 51 13.136 0.538 -12.303 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.561 1.049 -13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.239 1.726 -14.036 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.945 4.872 -13.704 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.421 3.590 -14.800 1.00 0.00 H new ATOM 800 N PRO A 52 13.833 0.362 -9.711 1.00 0.00 N ATOM 801 CA PRO A 52 14.469 -0.129 -8.472 1.00 0.00 C ATOM 802 C PRO A 52 15.030 -1.548 -8.629 1.00 0.00 C ATOM 803 O PRO A 52 15.259 -2.018 -9.745 1.00 0.00 O ATOM 804 CB PRO A 52 13.303 -0.107 -7.486 1.00 0.00 C ATOM 805 CG PRO A 52 12.025 -0.204 -8.306 1.00 0.00 C ATOM 806 CD PRO A 52 12.365 0.202 -9.744 1.00 0.00 C ATOM 0 HA PRO A 52 15.327 0.470 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.375 -0.938 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.314 0.810 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.628 -1.219 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.256 0.450 -7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.059 -0.560 -10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.865 1.128 -10.030 1.00 0.00 H new ATOM 814 N THR A 53 15.236 -2.225 -7.497 1.00 0.00 N ATOM 815 CA THR A 53 15.758 -3.592 -7.507 1.00 0.00 C ATOM 816 C THR A 53 14.594 -4.572 -7.317 1.00 0.00 C ATOM 817 O THR A 53 13.468 -4.149 -7.059 1.00 0.00 O ATOM 818 CB THR A 53 16.785 -3.775 -6.372 1.00 0.00 C ATOM 819 OG1 THR A 53 16.105 -3.977 -5.139 1.00 0.00 O ATOM 820 CG2 THR A 53 17.667 -2.529 -6.263 1.00 0.00 C ATOM 0 H THR A 53 15.050 -1.851 -6.567 1.00 0.00 H new ATOM 0 HA THR A 53 16.252 -3.786 -8.459 1.00 0.00 H new ATOM 0 HB THR A 53 17.408 -4.642 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.651 -3.629 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.391 -2.665 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.195 -2.373 -7.204 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.045 -1.660 -6.048 1.00 0.00 H new ATOM 828 N PRO A 54 14.840 -5.887 -7.417 1.00 0.00 N ATOM 829 CA PRO A 54 13.771 -6.885 -7.225 1.00 0.00 C ATOM 830 C PRO A 54 13.393 -7.040 -5.751 1.00 0.00 C ATOM 831 O PRO A 54 12.249 -7.365 -5.425 1.00 0.00 O ATOM 832 CB PRO A 54 14.393 -8.154 -7.797 1.00 0.00 C ATOM 833 CG PRO A 54 15.902 -7.970 -7.747 1.00 0.00 C ATOM 834 CD PRO A 54 16.172 -6.462 -7.716 1.00 0.00 C ATOM 0 HA PRO A 54 12.834 -6.613 -7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.091 -9.027 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.058 -8.320 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.320 -8.454 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.375 -8.428 -8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.905 -6.200 -6.953 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.561 -6.103 -8.669 1.00 0.00 H new ATOM 842 N GLU A 55 14.359 -6.766 -4.862 1.00 0.00 N ATOM 843 CA GLU A 55 14.100 -6.841 -3.423 1.00 0.00 C ATOM 844 C GLU A 55 13.404 -5.559 -2.949 1.00 0.00 C ATOM 845 O GLU A 55 12.544 -5.601 -2.067 1.00 0.00 O ATOM 846 CB GLU A 55 15.401 -7.057 -2.628 1.00 0.00 C ATOM 847 CG GLU A 55 16.391 -5.916 -2.891 1.00 0.00 C ATOM 848 CD GLU A 55 17.640 -6.110 -2.036 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.627 -5.675 -0.895 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.592 -6.689 -2.534 1.00 0.00 O ATOM 0 H GLU A 55 15.310 -6.495 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 55 13.449 -7.697 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.177 -7.113 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.852 -8.009 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.661 -5.893 -3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.926 -4.958 -2.660 1.00 0.00 H new ATOM 857 N GLU A 56 13.773 -4.421 -3.562 1.00 0.00 N ATOM 858 CA GLU A 56 13.168 -3.135 -3.209 1.00 0.00 C ATOM 859 C GLU A 56 11.788 -2.997 -3.856 1.00 0.00 C ATOM 860 O GLU A 56 10.877 -2.407 -3.274 1.00 0.00 O ATOM 861 CB GLU A 56 14.059 -1.978 -3.671 1.00 0.00 C ATOM 862 CG GLU A 56 13.876 -0.781 -2.734 1.00 0.00 C ATOM 863 CD GLU A 56 14.114 0.512 -3.507 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.179 0.986 -4.136 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.226 1.012 -3.460 1.00 0.00 O ATOM 0 H GLU A 56 14.480 -4.370 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 56 13.063 -3.098 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.103 -2.291 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.804 -1.695 -4.692 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.871 -0.786 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.572 -0.851 -1.898 1.00 0.00 H new ATOM 872 N LEU A 57 11.644 -3.564 -5.061 1.00 0.00 N ATOM 873 CA LEU A 57 10.376 -3.524 -5.781 1.00 0.00 C ATOM 874 C LEU A 57 9.288 -4.189 -4.936 1.00 0.00 C ATOM 875 O LEU A 57 8.196 -3.643 -4.774 1.00 0.00 O ATOM 876 CB LEU A 57 10.536 -4.252 -7.129 1.00 0.00 C ATOM 877 CG LEU A 57 9.259 -4.762 -7.808 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.797 -6.057 -7.136 1.00 0.00 C ATOM 879 CD2 LEU A 57 8.154 -3.704 -7.721 1.00 0.00 C ATOM 0 H LEU A 57 12.392 -4.054 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 57 10.086 -2.490 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.039 -3.576 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.200 -5.103 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 57 9.472 -4.960 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.889 -6.415 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.578 -6.812 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.594 -5.868 -6.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.253 -4.078 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.939 -3.488 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.483 -2.792 -8.220 1.00 0.00 H new ATOM 891 N GLN A 58 9.613 -5.366 -4.387 1.00 0.00 N ATOM 892 CA GLN A 58 8.667 -6.103 -3.542 1.00 0.00 C ATOM 893 C GLN A 58 8.199 -5.241 -2.366 1.00 0.00 C ATOM 894 O GLN A 58 7.018 -5.250 -2.013 1.00 0.00 O ATOM 895 CB GLN A 58 9.312 -7.385 -3.002 1.00 0.00 C ATOM 896 CG GLN A 58 8.234 -8.301 -2.412 1.00 0.00 C ATOM 897 CD GLN A 58 7.289 -8.770 -3.519 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.653 -9.612 -4.339 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.083 -8.268 -3.590 1.00 0.00 N ATOM 0 H GLN A 58 10.516 -5.825 -4.511 1.00 0.00 H new ATOM 0 HA GLN A 58 7.806 -6.363 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.842 -7.901 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.050 -7.138 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.699 -9.161 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.673 -7.769 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.780 -7.570 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.445 -8.575 -4.325 1.00 0.00 H new ATOM 908 N GLU A 59 9.133 -4.485 -1.771 1.00 0.00 N ATOM 909 CA GLU A 59 8.798 -3.608 -0.642 1.00 0.00 C ATOM 910 C GLU A 59 7.715 -2.607 -1.050 1.00 0.00 C ATOM 911 O GLU A 59 6.764 -2.366 -0.304 1.00 0.00 O ATOM 912 CB GLU A 59 10.036 -2.838 -0.168 1.00 0.00 C ATOM 913 CG GLU A 59 10.838 -3.701 0.810 1.00 0.00 C ATOM 914 CD GLU A 59 12.300 -3.258 0.807 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.586 -2.223 1.386 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.110 -3.961 0.227 1.00 0.00 O ATOM 0 H GLU A 59 10.114 -4.463 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 59 8.431 -4.234 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.657 -2.567 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.735 -1.908 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.423 -3.612 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.765 -4.751 0.527 1.00 0.00 H new ATOM 923 N MET A 60 7.867 -2.043 -2.255 1.00 0.00 N ATOM 924 CA MET A 60 6.892 -1.079 -2.780 1.00 0.00 C ATOM 925 C MET A 60 5.533 -1.753 -2.963 1.00 0.00 C ATOM 926 O MET A 60 4.488 -1.163 -2.685 1.00 0.00 O ATOM 927 CB MET A 60 7.349 -0.517 -4.132 1.00 0.00 C ATOM 928 CG MET A 60 8.757 0.068 -4.006 1.00 0.00 C ATOM 929 SD MET A 60 8.650 1.800 -3.489 1.00 0.00 S ATOM 930 CE MET A 60 10.167 2.372 -4.295 1.00 0.00 C ATOM 0 H MET A 60 8.649 -2.236 -2.880 1.00 0.00 H new ATOM 0 HA MET A 60 6.811 -0.263 -2.062 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.340 -1.305 -4.885 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.655 0.253 -4.468 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.336 -0.504 -3.281 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.279 -0.006 -4.960 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.747 2.973 -3.595 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.758 1.512 -4.611 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.911 2.976 -5.166 1.00 0.00 H new ATOM 940 N ILE A 61 5.573 -3.004 -3.430 1.00 0.00 N ATOM 941 CA ILE A 61 4.350 -3.782 -3.650 1.00 0.00 C ATOM 942 C ILE A 61 3.587 -3.954 -2.337 1.00 0.00 C ATOM 943 O ILE A 61 2.403 -3.642 -2.256 1.00 0.00 O ATOM 944 CB ILE A 61 4.675 -5.175 -4.216 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.389 -5.046 -5.572 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.379 -5.976 -4.393 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.564 -4.178 -6.528 1.00 0.00 C ATOM 0 H ILE A 61 6.435 -3.498 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 61 3.738 -3.236 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 61 5.332 -5.694 -3.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.376 -4.606 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.540 -6.034 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.613 -6.962 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.884 -6.085 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.718 -5.451 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.082 -4.096 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.587 -4.635 -6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.436 -3.185 -6.098 1.00 0.00 H new ATOM 959 N ASP A 62 4.282 -4.461 -1.313 1.00 0.00 N ATOM 960 CA ASP A 62 3.665 -4.683 -0.001 1.00 0.00 C ATOM 961 C ASP A 62 3.054 -3.391 0.554 1.00 0.00 C ATOM 962 O ASP A 62 2.011 -3.421 1.209 1.00 0.00 O ATOM 963 CB ASP A 62 4.701 -5.212 0.996 1.00 0.00 C ATOM 964 CG ASP A 62 4.947 -6.697 0.740 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.198 -7.503 1.270 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.880 -7.007 0.017 1.00 0.00 O ATOM 0 H ASP A 62 5.266 -4.724 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 62 2.872 -5.419 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.633 -4.656 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.348 -5.062 2.016 1.00 0.00 H new ATOM 971 N GLU A 63 3.718 -2.258 0.289 1.00 0.00 N ATOM 972 CA GLU A 63 3.233 -0.958 0.769 1.00 0.00 C ATOM 973 C GLU A 63 1.851 -0.630 0.191 1.00 0.00 C ATOM 974 O GLU A 63 0.955 -0.198 0.917 1.00 0.00 O ATOM 975 CB GLU A 63 4.211 0.158 0.385 1.00 0.00 C ATOM 976 CG GLU A 63 5.399 0.157 1.352 1.00 0.00 C ATOM 977 CD GLU A 63 6.506 1.051 0.801 1.00 0.00 C ATOM 978 OE1 GLU A 63 6.463 2.242 1.061 1.00 0.00 O ATOM 979 OE2 GLU A 63 7.381 0.531 0.128 1.00 0.00 O ATOM 0 H GLU A 63 4.583 -2.215 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 63 3.157 -1.022 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.561 0.012 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.706 1.124 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.083 0.514 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.771 -0.859 1.487 1.00 0.00 H new ATOM 986 N VAL A 64 1.691 -0.836 -1.122 1.00 0.00 N ATOM 987 CA VAL A 64 0.410 -0.552 -1.784 1.00 0.00 C ATOM 988 C VAL A 64 -0.571 -1.730 -1.635 1.00 0.00 C ATOM 989 O VAL A 64 -1.787 -1.529 -1.614 1.00 0.00 O ATOM 990 CB VAL A 64 0.630 -0.239 -3.276 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.157 -1.478 -4.007 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.692 0.204 -3.914 1.00 0.00 C ATOM 0 H VAL A 64 2.420 -1.193 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.026 0.320 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 64 1.363 0.563 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.308 -1.242 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.104 -1.786 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.434 -2.289 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.531 0.424 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.428 -0.594 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.058 1.098 -3.409 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.034 -2.954 -1.529 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.877 -4.145 -1.379 1.00 0.00 C ATOM 1004 C ASP A 65 -1.484 -4.190 0.023 1.00 0.00 C ATOM 1005 O ASP A 65 -0.797 -4.486 1.004 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.063 -5.427 -1.620 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.803 -6.340 -2.598 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.824 -6.887 -2.213 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.337 -6.480 -3.716 1.00 0.00 O ATOM 0 H ASP A 65 0.968 -3.143 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.674 -4.087 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.920 -5.174 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.100 -5.947 -0.676 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.779 -3.883 0.100 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.491 -3.881 1.385 1.00 0.00 C ATOM 1016 C GLU A 66 -3.582 -5.292 1.977 1.00 0.00 C ATOM 1017 O GLU A 66 -3.555 -5.465 3.197 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.910 -3.312 1.225 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.662 -4.043 0.102 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.887 -4.750 0.677 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.720 -5.820 1.240 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.974 -4.212 0.545 1.00 0.00 O ATOM 0 H GLU A 66 -3.356 -3.634 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.920 -3.248 2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.457 -3.414 2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.857 -2.247 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.968 -3.333 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.004 -4.768 -0.378 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.692 -6.293 1.100 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.791 -7.689 1.540 1.00 0.00 C ATOM 1031 C ASP A 67 -2.440 -8.401 1.429 1.00 0.00 C ATOM 1032 O ASP A 67 -2.115 -9.262 2.249 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.838 -8.456 0.712 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.684 -8.137 -0.775 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.257 -7.152 -1.216 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.999 -8.880 -1.453 1.00 0.00 O ATOM 0 H ASP A 67 -3.715 -6.166 0.088 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.101 -7.676 2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.724 -9.528 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.841 -8.188 1.045 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.659 -8.036 0.408 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.347 -8.649 0.196 1.00 0.00 C ATOM 1043 C GLY A 68 -0.493 -10.067 -0.356 1.00 0.00 C ATOM 1044 O GLY A 68 0.150 -11.002 0.126 1.00 0.00 O ATOM 0 H GLY A 68 -1.911 -7.325 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.235 -8.042 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.204 -8.675 1.136 1.00 0.00 H new ATOM 1048 N SER A 69 -1.351 -10.211 -1.368 1.00 0.00 N ATOM 1049 CA SER A 69 -1.591 -11.520 -1.990 1.00 0.00 C ATOM 1050 C SER A 69 -0.489 -11.879 -2.993 1.00 0.00 C ATOM 1051 O SER A 69 -0.257 -13.056 -3.274 1.00 0.00 O ATOM 1052 CB SER A 69 -2.936 -11.529 -2.724 1.00 0.00 C ATOM 1053 OG SER A 69 -2.970 -10.462 -3.665 1.00 0.00 O ATOM 0 H SER A 69 -1.889 -9.445 -1.774 1.00 0.00 H new ATOM 0 HA SER A 69 -1.596 -12.257 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.078 -12.482 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.753 -11.424 -2.010 1.00 0.00 H new ATOM 0 HG SER A 69 -3.309 -9.652 -3.229 1.00 0.00 H new ATOM 1059 N GLY A 70 0.172 -10.856 -3.541 1.00 0.00 N ATOM 1060 CA GLY A 70 1.231 -11.074 -4.527 1.00 0.00 C ATOM 1061 C GLY A 70 0.767 -10.675 -5.934 1.00 0.00 C ATOM 1062 O GLY A 70 1.432 -10.983 -6.925 1.00 0.00 O ATOM 0 H GLY A 70 -0.006 -9.876 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.112 -10.494 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.526 -12.123 -4.522 1.00 0.00 H new ATOM 1066 N THR A 71 -0.379 -9.983 -6.011 1.00 0.00 N ATOM 1067 CA THR A 71 -0.922 -9.539 -7.296 1.00 0.00 C ATOM 1068 C THR A 71 -1.523 -8.143 -7.148 1.00 0.00 C ATOM 1069 O THR A 71 -2.258 -7.868 -6.195 1.00 0.00 O ATOM 1070 CB THR A 71 -2.010 -10.502 -7.795 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.131 -10.456 -6.919 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.461 -11.929 -7.841 1.00 0.00 C ATOM 0 H THR A 71 -0.942 -9.722 -5.202 1.00 0.00 H new ATOM 0 HA THR A 71 -0.108 -9.521 -8.020 1.00 0.00 H new ATOM 0 HB THR A 71 -2.318 -10.201 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.125 -9.610 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.238 -12.606 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.608 -11.969 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.146 -12.230 -6.842 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.205 -7.262 -8.097 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.728 -5.897 -8.051 1.00 0.00 C ATOM 1082 C VAL A 72 -3.018 -5.798 -8.852 1.00 0.00 C ATOM 1083 O VAL A 72 -3.026 -5.995 -10.069 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.729 -4.886 -8.626 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.157 -3.468 -8.234 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.673 -5.159 -8.079 1.00 0.00 C ATOM 0 H VAL A 72 -0.599 -7.463 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.909 -5.662 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.713 -4.982 -9.712 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.448 -2.748 -8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.151 -3.265 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.177 -3.381 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.373 -4.434 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.663 -5.072 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.983 -6.166 -8.359 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.099 -5.464 -8.159 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.392 -5.305 -8.816 1.00 0.00 C ATOM 1098 C ASP A 73 -5.501 -3.878 -9.336 1.00 0.00 C ATOM 1099 O ASP A 73 -4.695 -3.023 -8.971 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.535 -5.586 -7.836 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.636 -7.090 -7.590 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.825 -7.606 -6.837 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.521 -7.705 -8.162 1.00 0.00 O ATOM 0 H ASP A 73 -4.108 -5.299 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.467 -6.015 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.359 -5.064 -6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.475 -5.209 -8.239 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.487 -3.616 -10.194 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.648 -2.268 -10.741 1.00 0.00 C ATOM 1110 C PHE A 74 -6.799 -1.242 -9.614 1.00 0.00 C ATOM 1111 O PHE A 74 -6.271 -0.134 -9.704 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.856 -2.183 -11.676 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.758 -0.921 -12.497 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.576 -0.629 -13.189 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.843 -0.042 -12.562 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.481 0.542 -13.946 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.748 1.130 -13.319 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.567 1.423 -14.010 1.00 0.00 C ATOM 0 H PHE A 74 -7.171 -4.300 -10.519 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.750 -2.042 -11.316 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.888 -3.055 -12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.780 -2.184 -11.098 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.738 -1.309 -13.138 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.754 -0.268 -12.028 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.570 0.767 -14.481 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.586 1.809 -13.370 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.493 2.329 -14.593 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.503 -1.630 -8.543 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.689 -0.738 -7.397 1.00 0.00 C ATOM 1130 C ASP A 75 -6.336 -0.416 -6.759 1.00 0.00 C ATOM 1131 O ASP A 75 -6.055 0.734 -6.425 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.602 -1.386 -6.347 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.085 -0.327 -5.360 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.105 0.287 -5.631 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -8.431 -0.145 -4.346 1.00 0.00 O ATOM 0 H ASP A 75 -7.947 -2.543 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.155 0.181 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.455 -1.858 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.063 -2.171 -5.817 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.500 -1.451 -6.612 1.00 0.00 N ATOM 1141 CA GLU A 76 -4.163 -1.291 -6.026 1.00 0.00 C ATOM 1142 C GLU A 76 -3.181 -0.674 -7.038 1.00 0.00 C ATOM 1143 O GLU A 76 -2.109 -0.193 -6.665 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.613 -2.651 -5.577 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.635 -3.354 -4.673 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.222 -4.809 -4.453 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.088 -5.034 -4.069 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -5.049 -5.678 -4.672 1.00 0.00 O ATOM 0 H GLU A 76 -5.725 -2.406 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.260 -0.624 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.397 -3.271 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.674 -2.514 -5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.702 -2.837 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.625 -3.313 -5.128 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.557 -0.711 -8.320 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.717 -0.176 -9.392 1.00 0.00 C ATOM 1157 C PHE A 77 -2.746 1.358 -9.414 1.00 0.00 C ATOM 1158 O PHE A 77 -1.712 2.004 -9.589 1.00 0.00 O ATOM 1159 CB PHE A 77 -3.227 -0.703 -10.742 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.097 -0.939 -11.720 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.777 -1.160 -11.285 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.388 -0.954 -13.086 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.236 -1.387 -12.221 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.376 -1.184 -14.018 1.00 0.00 C ATOM 1165 CZ PHE A 77 -0.064 -1.399 -13.588 1.00 0.00 C ATOM 0 H PHE A 77 -4.441 -1.108 -8.640 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.691 -0.499 -9.214 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.772 -1.634 -10.586 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.932 0.011 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.547 -1.154 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.401 -0.787 -13.422 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.250 -1.553 -11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.607 -1.196 -15.073 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.719 -1.575 -14.311 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.946 1.927 -9.253 1.00 0.00 N ATOM 1176 CA LEU A 78 -4.111 3.386 -9.280 1.00 0.00 C ATOM 1177 C LEU A 78 -3.555 4.064 -8.018 1.00 0.00 C ATOM 1178 O LEU A 78 -3.216 5.250 -8.052 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.593 3.751 -9.436 1.00 0.00 C ATOM 1180 CG LEU A 78 -6.204 3.530 -10.837 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.116 3.186 -11.862 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.215 2.382 -10.776 1.00 0.00 C ATOM 0 H LEU A 78 -4.810 1.406 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.541 3.750 -10.135 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.167 3.168 -8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.718 4.800 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.697 4.452 -11.146 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.572 3.035 -12.840 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.398 4.004 -11.919 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.603 2.274 -11.556 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.647 2.225 -11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.712 1.471 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.007 2.631 -10.069 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.441 3.313 -6.914 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.892 3.893 -5.670 1.00 0.00 C ATOM 1196 C VAL A 79 -1.402 4.106 -5.841 1.00 0.00 C ATOM 1197 O VAL A 79 -0.872 5.151 -5.484 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.095 3.013 -4.422 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -3.735 3.848 -3.309 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -3.986 1.820 -4.738 1.00 0.00 C ATOM 0 H VAL A 79 -3.711 2.331 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.435 4.824 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.123 2.642 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.879 3.227 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.083 4.685 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.699 4.227 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.114 1.214 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.959 2.173 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.524 1.218 -5.520 1.00 0.00 H new ATOM 1210 N MET A 80 -0.739 3.087 -6.394 1.00 0.00 N ATOM 1211 CA MET A 80 0.710 3.137 -6.632 1.00 0.00 C ATOM 1212 C MET A 80 1.148 4.519 -7.141 1.00 0.00 C ATOM 1213 O MET A 80 2.210 5.016 -6.764 1.00 0.00 O ATOM 1214 CB MET A 80 1.116 2.077 -7.661 1.00 0.00 C ATOM 1215 CG MET A 80 2.311 1.277 -7.134 1.00 0.00 C ATOM 1216 SD MET A 80 3.141 0.455 -8.517 1.00 0.00 S ATOM 1217 CE MET A 80 1.835 -0.741 -8.894 1.00 0.00 C ATOM 0 H MET A 80 -1.181 2.216 -6.686 1.00 0.00 H new ATOM 0 HA MET A 80 1.204 2.941 -5.680 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.278 1.409 -7.859 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.374 2.554 -8.606 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.007 1.939 -6.619 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.976 0.538 -6.406 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.004 -1.165 -9.884 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.847 -1.539 -8.151 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.867 -0.241 -8.874 1.00 0.00 H new ATOM 1227 N MET A 81 0.315 5.135 -7.995 1.00 0.00 N ATOM 1228 CA MET A 81 0.630 6.462 -8.537 1.00 0.00 C ATOM 1229 C MET A 81 0.516 7.537 -7.453 1.00 0.00 C ATOM 1230 O MET A 81 1.488 8.229 -7.151 1.00 0.00 O ATOM 1231 CB MET A 81 -0.317 6.819 -9.690 1.00 0.00 C ATOM 1232 CG MET A 81 0.058 8.192 -10.262 1.00 0.00 C ATOM 1233 SD MET A 81 0.160 8.094 -12.068 1.00 0.00 S ATOM 1234 CE MET A 81 1.651 7.072 -12.165 1.00 0.00 C ATOM 0 H MET A 81 -0.568 4.741 -8.320 1.00 0.00 H new ATOM 0 HA MET A 81 1.655 6.427 -8.906 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.257 6.061 -10.471 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.348 6.831 -9.336 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.685 8.934 -9.970 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.013 8.519 -9.851 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.552 6.361 -12.985 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.518 7.709 -12.340 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.782 6.530 -11.228 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.686 7.673 -6.882 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.928 8.677 -5.836 1.00 0.00 C ATOM 1246 C VAL A 82 -0.055 8.425 -4.601 1.00 0.00 C ATOM 1247 O VAL A 82 0.323 9.362 -3.906 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.403 8.692 -5.409 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.273 9.136 -6.586 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.833 7.293 -4.958 1.00 0.00 C ATOM 0 H VAL A 82 -1.500 7.107 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.666 9.644 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.525 9.389 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.320 9.146 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.977 10.137 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.144 8.442 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.880 7.314 -4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.706 6.590 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.219 6.978 -4.114 1.00 0.00 H new ATOM 1260 N ARG A 83 0.258 7.152 -4.338 1.00 0.00 N ATOM 1261 CA ARG A 83 1.089 6.787 -3.185 1.00 0.00 C ATOM 1262 C ARG A 83 2.493 7.376 -3.322 1.00 0.00 C ATOM 1263 O ARG A 83 3.081 7.842 -2.344 1.00 0.00 O ATOM 1264 CB ARG A 83 1.203 5.263 -3.061 1.00 0.00 C ATOM 1265 CG ARG A 83 -0.120 4.683 -2.549 1.00 0.00 C ATOM 1266 CD ARG A 83 0.117 3.948 -1.228 1.00 0.00 C ATOM 1267 NE ARG A 83 -1.147 3.730 -0.520 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.180 3.338 0.761 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -0.069 3.120 1.426 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -2.334 3.167 1.356 1.00 0.00 N ATOM 0 H ARG A 83 -0.049 6.361 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 83 0.610 7.191 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.451 4.828 -4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.012 5.004 -2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.848 5.482 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.538 3.999 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.601 2.990 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.795 4.527 -0.601 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.026 3.881 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.833 3.249 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.108 2.822 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.201 3.332 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.366 2.869 2.331 1.00 0.00 H new ATOM 1284 N CYS A 84 3.020 7.347 -4.548 1.00 0.00 N ATOM 1285 CA CYS A 84 4.359 7.878 -4.816 1.00 0.00 C ATOM 1286 C CYS A 84 4.317 9.395 -5.015 1.00 0.00 C ATOM 1287 O CYS A 84 5.207 10.114 -4.554 1.00 0.00 O ATOM 1288 CB CYS A 84 4.951 7.225 -6.070 1.00 0.00 C ATOM 1289 SG CYS A 84 6.759 7.268 -5.979 1.00 0.00 S ATOM 0 H CYS A 84 2.545 6.965 -5.365 1.00 0.00 H new ATOM 0 HA CYS A 84 4.985 7.649 -3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.605 6.195 -6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.609 7.750 -6.962 1.00 0.00 H new ATOM 0 HG CYS A 84 7.260 6.712 -7.042 1.00 0.00 H new ATOM 1295 N MET A 85 3.276 9.875 -5.706 1.00 0.00 N ATOM 1296 CA MET A 85 3.127 11.309 -5.964 1.00 0.00 C ATOM 1297 C MET A 85 2.817 12.065 -4.670 1.00 0.00 C ATOM 1298 O MET A 85 3.418 13.103 -4.387 1.00 0.00 O ATOM 1299 CB MET A 85 1.999 11.559 -6.973 1.00 0.00 C ATOM 1300 CG MET A 85 2.388 12.704 -7.909 1.00 0.00 C ATOM 1301 SD MET A 85 3.271 12.039 -9.344 1.00 0.00 S ATOM 1302 CE MET A 85 3.499 13.605 -10.223 1.00 0.00 C ATOM 0 H MET A 85 2.531 9.296 -6.093 1.00 0.00 H new ATOM 0 HA MET A 85 4.069 11.672 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.807 10.654 -7.550 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.076 11.804 -6.448 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.497 13.241 -8.234 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.017 13.421 -7.382 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.033 13.424 -11.156 1.00 0.00 H new ATOM 0 HE2 MET A 85 2.526 14.045 -10.441 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.076 14.290 -9.602 1.00 0.00 H new ATOM 1312 N LYS A 86 1.870 11.535 -3.893 1.00 0.00 N ATOM 1313 CA LYS A 86 1.479 12.164 -2.632 1.00 0.00 C ATOM 1314 C LYS A 86 1.627 11.182 -1.470 1.00 0.00 C ATOM 1315 O LYS A 86 1.174 10.039 -1.539 1.00 0.00 O ATOM 1316 CB LYS A 86 0.024 12.637 -2.705 1.00 0.00 C ATOM 1317 CG LYS A 86 -0.328 13.427 -1.439 1.00 0.00 C ATOM 1318 CD LYS A 86 -1.023 12.503 -0.435 1.00 0.00 C ATOM 1319 CE LYS A 86 -1.604 13.337 0.711 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.030 13.662 0.420 1.00 0.00 N ATOM 0 H LYS A 86 1.363 10.678 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 86 2.134 13.019 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.122 13.261 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.642 11.780 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.575 13.847 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.979 14.264 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.816 11.943 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.313 11.774 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.530 12.786 1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.029 14.255 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.428 14.214 1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.087 14.218 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.571 12.781 0.307 1.00 0.00 H new ATOM 1334 N ASP A 87 2.265 11.648 -0.397 1.00 0.00 N ATOM 1335 CA ASP A 87 2.468 10.808 0.787 1.00 0.00 C ATOM 1336 C ASP A 87 2.963 11.652 1.965 1.00 0.00 C ATOM 1337 O ASP A 87 3.920 11.287 2.654 1.00 0.00 O ATOM 1338 CB ASP A 87 3.473 9.681 0.489 1.00 0.00 C ATOM 1339 CG ASP A 87 4.671 10.228 -0.293 1.00 0.00 C ATOM 1340 OD1 ASP A 87 5.592 10.721 0.337 1.00 0.00 O ATOM 1341 OD2 ASP A 87 4.648 10.143 -1.511 1.00 0.00 O ATOM 0 H ASP A 87 2.647 12.591 -0.321 1.00 0.00 H new ATOM 0 HA ASP A 87 1.510 10.360 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.814 9.233 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.986 8.892 -0.084 1.00 0.00 H new ATOM 1346 N ASP A 88 2.290 12.790 2.186 1.00 0.00 N ATOM 1347 CA ASP A 88 2.649 13.701 3.277 1.00 0.00 C ATOM 1348 C ASP A 88 4.089 14.190 3.112 1.00 0.00 C ATOM 1349 O ASP A 88 5.020 13.647 3.712 1.00 0.00 O ATOM 1350 CB ASP A 88 2.489 13.010 4.640 1.00 0.00 C ATOM 1351 CG ASP A 88 1.022 12.653 4.868 1.00 0.00 C ATOM 1352 OD1 ASP A 88 0.310 13.479 5.414 1.00 0.00 O ATOM 1353 OD2 ASP A 88 0.632 11.558 4.491 1.00 0.00 O ATOM 0 H ASP A 88 1.497 13.099 1.624 1.00 0.00 H new ATOM 0 HA ASP A 88 1.975 14.556 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.102 12.109 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.841 13.667 5.435 1.00 0.00 H new ATOM 1358 N SER A 89 4.254 15.226 2.279 1.00 0.00 N ATOM 1359 CA SER A 89 5.578 15.810 2.013 1.00 0.00 C ATOM 1360 C SER A 89 6.489 14.832 1.248 1.00 0.00 C ATOM 1361 O SER A 89 7.616 15.207 0.963 1.00 0.00 O ATOM 1362 CB SER A 89 6.253 16.216 3.327 1.00 0.00 C ATOM 1363 OG SER A 89 7.065 17.362 3.105 1.00 0.00 O ATOM 1364 OXT SER A 89 6.049 13.730 0.950 1.00 0.00 O ATOM 0 H SER A 89 3.489 15.677 1.778 1.00 0.00 H new ATOM 0 HA SER A 89 5.426 16.692 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.499 16.432 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.860 15.394 3.706 1.00 0.00 H new ATOM 0 HG SER A 89 7.497 17.625 3.945 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.310 -7.686 -3.763 1.00 0.00 CA