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 45 MET CE :methyl -115:sc= -0.535 (180deg=-2.09!) USER MOD Set 1.2: A 80 MET CE :methyl -102:sc= -0.0124 (180deg=-2.63!) USER MOD Set 2.1: A 69 SER OG : rot -89:sc= 1.11 USER MOD Set 2.2: A 71 THR OG1 : rot -55:sc= 0.661 USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= -0.0547 F(o=-5.1,f=-3.8) USER MOD Set 3.2: A 81 MET CE :methyl 159:sc= -3.78! (180deg=-6.29!) 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= -0.538 X(o=-0.54,f=-0.061) USER MOD Single : A 5 TYR OH : rot 110:sc= -0.582 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.882 K(o=-0.88,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.188) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 103:sc= -0.8! USER MOD Single : A 37 SER OG : rot 180:sc= -0.125 USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.0294 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 -126:sc= -0.647 (180deg=-2!) USER MOD Single : A 50 GLN : amide:sc= -0.089 K(o=-0.089,f=-0.62) USER MOD Single : A 51 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.6 USER MOD Single : A 58 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.062) USER MOD Single : A 60 MET CE :methyl -166:sc= 0 (180deg=-0.643) USER MOD Single : A 84 CYS SG : rot 77:sc= 0.0584 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.143 11.628 10.093 1.00 0.00 N ATOM 2 CA MET A 1 -7.752 11.156 8.814 1.00 0.00 C ATOM 3 C MET A 1 -6.647 10.788 7.824 1.00 0.00 C ATOM 4 O MET A 1 -5.871 11.644 7.389 1.00 0.00 O ATOM 5 CB MET A 1 -8.627 12.267 8.220 1.00 0.00 C ATOM 6 CG MET A 1 -10.092 12.018 8.584 1.00 0.00 C ATOM 7 SD MET A 1 -11.055 13.517 8.266 1.00 0.00 S ATOM 8 CE MET A 1 -12.685 12.732 8.187 1.00 0.00 C ATOM 0 H1 MET A 1 -7.897 11.878 10.765 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.555 10.871 10.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.553 12.464 9.909 1.00 0.00 H new ATOM 0 HA MET A 1 -8.367 10.278 9.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.307 13.237 8.600 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.511 12.295 7.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.487 11.188 7.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.174 11.736 9.634 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.445 13.490 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.696 11.996 7.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.897 12.238 9.135 1.00 0.00 H new ATOM 20 N ASN A 2 -6.590 9.502 7.470 1.00 0.00 N ATOM 21 CA ASN A 2 -5.583 9.010 6.524 1.00 0.00 C ATOM 22 C ASN A 2 -6.257 8.512 5.242 1.00 0.00 C ATOM 23 O ASN A 2 -5.758 7.605 4.570 1.00 0.00 O ATOM 24 CB ASN A 2 -4.772 7.864 7.145 1.00 0.00 C ATOM 25 CG ASN A 2 -4.135 8.329 8.452 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.928 8.565 8.513 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.882 8.475 9.513 1.00 0.00 N ATOM 0 H ASN A 2 -7.225 8.785 7.821 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.912 9.835 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.420 7.007 7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.999 7.535 6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.466 8.784 10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.882 8.280 9.464 1.00 0.00 H new ATOM 34 N ASP A 3 -7.400 9.119 4.914 1.00 0.00 N ATOM 35 CA ASP A 3 -8.151 8.739 3.713 1.00 0.00 C ATOM 36 C ASP A 3 -7.618 9.444 2.454 1.00 0.00 C ATOM 37 O ASP A 3 -8.118 9.205 1.357 1.00 0.00 O ATOM 38 CB ASP A 3 -9.639 9.080 3.886 1.00 0.00 C ATOM 39 CG ASP A 3 -9.823 10.595 4.010 1.00 0.00 C ATOM 40 OD1 ASP A 3 -9.778 11.089 5.126 1.00 0.00 O ATOM 41 OD2 ASP A 3 -10.005 11.236 2.987 1.00 0.00 O ATOM 0 H ASP A 3 -7.824 9.870 5.458 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.025 7.664 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.207 8.706 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.032 8.585 4.774 1.00 0.00 H new ATOM 46 N ILE A 4 -6.612 10.316 2.620 1.00 0.00 N ATOM 47 CA ILE A 4 -6.036 11.052 1.480 1.00 0.00 C ATOM 48 C ILE A 4 -5.565 10.107 0.364 1.00 0.00 C ATOM 49 O ILE A 4 -5.588 10.471 -0.814 1.00 0.00 O ATOM 50 CB ILE A 4 -4.859 11.954 1.914 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.630 11.108 2.318 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.289 12.852 3.083 1.00 0.00 C ATOM 53 CD1 ILE A 4 -3.868 10.391 3.653 1.00 0.00 C ATOM 0 H ILE A 4 -6.183 10.529 3.521 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.838 11.680 1.092 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.577 12.578 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.418 10.374 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.753 11.750 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.453 13.484 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.125 13.479 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.594 12.231 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.987 9.803 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.055 11.128 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.731 9.731 3.563 1.00 0.00 H new ATOM 65 N TYR A 5 -5.142 8.896 0.740 1.00 0.00 N ATOM 66 CA TYR A 5 -4.672 7.915 -0.245 1.00 0.00 C ATOM 67 C TYR A 5 -5.831 7.451 -1.131 1.00 0.00 C ATOM 68 O TYR A 5 -5.737 7.476 -2.360 1.00 0.00 O ATOM 69 CB TYR A 5 -4.058 6.690 0.446 1.00 0.00 C ATOM 70 CG TYR A 5 -2.764 7.076 1.127 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.782 7.549 2.445 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.547 6.960 0.442 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.587 7.907 3.077 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.351 7.316 1.075 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.372 7.791 2.394 1.00 0.00 C ATOM 76 OH TYR A 5 0.805 8.143 3.021 1.00 0.00 O ATOM 0 H TYR A 5 -5.115 8.573 1.707 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.911 8.401 -0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.758 6.286 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.873 5.904 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.720 7.637 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.532 6.596 -0.575 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.602 8.273 4.093 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.587 7.225 0.548 1.00 0.00 H new ATOM 0 HH TYR A 5 1.332 7.337 3.203 1.00 0.00 H new ATOM 86 N LYS A 6 -6.924 7.031 -0.487 1.00 0.00 N ATOM 87 CA LYS A 6 -8.106 6.562 -1.217 1.00 0.00 C ATOM 88 C LYS A 6 -8.958 7.737 -1.725 1.00 0.00 C ATOM 89 O LYS A 6 -9.854 7.547 -2.551 1.00 0.00 O ATOM 90 CB LYS A 6 -8.968 5.669 -0.316 1.00 0.00 C ATOM 91 CG LYS A 6 -8.276 4.314 -0.125 1.00 0.00 C ATOM 92 CD LYS A 6 -8.493 3.820 1.308 1.00 0.00 C ATOM 93 CE LYS A 6 -7.288 2.982 1.752 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.738 1.924 2.703 1.00 0.00 N ATOM 0 H LYS A 6 -7.015 7.006 0.529 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.753 5.991 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.122 6.150 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.952 5.527 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.674 3.588 -0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.210 4.408 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.626 4.668 1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.404 3.224 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.810 2.526 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.544 3.620 2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.920 1.356 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.175 2.369 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.433 1.309 2.234 1.00 0.00 H new ATOM 108 N ALA A 7 -8.669 8.949 -1.232 1.00 0.00 N ATOM 109 CA ALA A 7 -9.412 10.140 -1.649 1.00 0.00 C ATOM 110 C ALA A 7 -8.996 10.581 -3.055 1.00 0.00 C ATOM 111 O ALA A 7 -9.801 11.141 -3.797 1.00 0.00 O ATOM 112 CB ALA A 7 -9.163 11.296 -0.677 1.00 0.00 C ATOM 0 H ALA A 7 -7.932 9.127 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.471 9.881 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.723 12.172 -1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.489 11.008 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.099 11.532 -0.657 1.00 0.00 H new ATOM 118 N ALA A 8 -7.733 10.328 -3.413 1.00 0.00 N ATOM 119 CA ALA A 8 -7.229 10.711 -4.733 1.00 0.00 C ATOM 120 C ALA A 8 -7.693 9.725 -5.804 1.00 0.00 C ATOM 121 O ALA A 8 -8.120 10.129 -6.886 1.00 0.00 O ATOM 122 CB ALA A 8 -5.701 10.758 -4.734 1.00 0.00 C ATOM 0 H ALA A 8 -7.049 9.865 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.626 11.701 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.346 11.045 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.359 11.488 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.307 9.775 -4.478 1.00 0.00 H new ATOM 128 N VAL A 9 -7.603 8.429 -5.492 1.00 0.00 N ATOM 129 CA VAL A 9 -8.015 7.388 -6.441 1.00 0.00 C ATOM 130 C VAL A 9 -9.527 7.451 -6.715 1.00 0.00 C ATOM 131 O VAL A 9 -9.988 7.033 -7.778 1.00 0.00 O ATOM 132 CB VAL A 9 -7.636 5.993 -5.912 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.499 5.630 -4.700 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.845 4.950 -7.017 1.00 0.00 C ATOM 0 H VAL A 9 -7.253 8.077 -4.601 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.488 7.568 -7.378 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.589 6.005 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.219 4.641 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.343 6.364 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.550 5.626 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.576 3.963 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.891 4.949 -7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.216 5.196 -7.873 1.00 0.00 H new ATOM 144 N GLU A 10 -10.290 7.977 -5.751 1.00 0.00 N ATOM 145 CA GLU A 10 -11.739 8.089 -5.915 1.00 0.00 C ATOM 146 C GLU A 10 -12.121 9.332 -6.733 1.00 0.00 C ATOM 147 O GLU A 10 -13.231 9.408 -7.263 1.00 0.00 O ATOM 148 CB GLU A 10 -12.436 8.135 -4.549 1.00 0.00 C ATOM 149 CG GLU A 10 -12.117 9.451 -3.831 1.00 0.00 C ATOM 150 CD GLU A 10 -13.136 9.689 -2.721 1.00 0.00 C ATOM 151 OE1 GLU A 10 -12.893 9.237 -1.613 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.142 10.324 -2.993 1.00 0.00 O ATOM 0 H GLU A 10 -9.933 8.327 -4.862 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.072 7.206 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.514 8.037 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.111 7.292 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.111 9.414 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.137 10.278 -4.541 1.00 0.00 H new ATOM 159 N GLN A 11 -11.201 10.306 -6.835 1.00 0.00 N ATOM 160 CA GLN A 11 -11.488 11.528 -7.597 1.00 0.00 C ATOM 161 C GLN A 11 -10.364 11.853 -8.593 1.00 0.00 C ATOM 162 O GLN A 11 -10.141 13.017 -8.936 1.00 0.00 O ATOM 163 CB GLN A 11 -11.701 12.719 -6.648 1.00 0.00 C ATOM 164 CG GLN A 11 -10.388 13.085 -5.942 1.00 0.00 C ATOM 165 CD GLN A 11 -10.690 13.739 -4.592 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.705 13.442 -3.960 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.857 14.618 -4.104 1.00 0.00 N ATOM 0 H GLN A 11 -10.274 10.272 -6.410 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.402 11.350 -8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.071 13.577 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.462 12.470 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.782 12.191 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.807 13.766 -6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.015 14.867 -4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.048 15.056 -3.203 1.00 0.00 H new ATOM 176 N LEU A 12 -9.667 10.813 -9.066 1.00 0.00 N ATOM 177 CA LEU A 12 -8.579 11.009 -10.034 1.00 0.00 C ATOM 178 C LEU A 12 -9.148 11.280 -11.431 1.00 0.00 C ATOM 179 O LEU A 12 -10.366 11.300 -11.628 1.00 0.00 O ATOM 180 CB LEU A 12 -7.646 9.786 -10.096 1.00 0.00 C ATOM 181 CG LEU A 12 -8.300 8.419 -9.856 1.00 0.00 C ATOM 182 CD1 LEU A 12 -9.493 8.234 -10.797 1.00 0.00 C ATOM 183 CD2 LEU A 12 -7.276 7.311 -10.112 1.00 0.00 C ATOM 0 H LEU A 12 -9.832 9.842 -8.800 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.000 11.869 -9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.168 9.769 -11.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.855 9.921 -9.358 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.647 8.368 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.950 7.261 -10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.227 9.019 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.153 8.291 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.741 6.340 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.926 7.370 -11.143 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.431 7.433 -9.434 1.00 0.00 H new ATOM 195 N THR A 13 -8.253 11.494 -12.398 1.00 0.00 N ATOM 196 CA THR A 13 -8.676 11.772 -13.773 1.00 0.00 C ATOM 197 C THR A 13 -8.831 10.480 -14.569 1.00 0.00 C ATOM 198 O THR A 13 -8.324 9.424 -14.182 1.00 0.00 O ATOM 199 CB THR A 13 -7.656 12.663 -14.499 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.382 12.548 -13.880 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.121 14.118 -14.455 1.00 0.00 C ATOM 0 H THR A 13 -7.243 11.481 -12.258 1.00 0.00 H new ATOM 0 HA THR A 13 -9.635 12.287 -13.710 1.00 0.00 H new ATOM 0 HB THR A 13 -7.577 12.340 -15.537 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.738 13.118 -14.350 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.396 14.748 -14.971 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.091 14.205 -14.945 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.209 14.441 -13.418 1.00 0.00 H new ATOM 209 N ASP A 14 -9.517 10.592 -15.709 1.00 0.00 N ATOM 210 CA ASP A 14 -9.718 9.444 -16.591 1.00 0.00 C ATOM 211 C ASP A 14 -8.383 9.025 -17.207 1.00 0.00 C ATOM 212 O ASP A 14 -8.157 7.848 -17.490 1.00 0.00 O ATOM 213 CB ASP A 14 -10.699 9.788 -17.717 1.00 0.00 C ATOM 214 CG ASP A 14 -11.264 8.503 -18.316 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.205 7.971 -17.747 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.749 8.069 -19.333 1.00 0.00 O ATOM 0 H ASP A 14 -9.939 11.460 -16.040 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.129 8.627 -15.998 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.508 10.407 -17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.193 10.369 -18.488 1.00 0.00 H new ATOM 221 N GLU A 15 -7.495 10.012 -17.399 1.00 0.00 N ATOM 222 CA GLU A 15 -6.173 9.748 -17.970 1.00 0.00 C ATOM 223 C GLU A 15 -5.346 8.865 -17.032 1.00 0.00 C ATOM 224 O GLU A 15 -4.544 8.050 -17.487 1.00 0.00 O ATOM 225 CB GLU A 15 -5.419 11.059 -18.218 1.00 0.00 C ATOM 226 CG GLU A 15 -5.790 11.609 -19.600 1.00 0.00 C ATOM 227 CD GLU A 15 -5.109 10.776 -20.685 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.936 11.005 -20.932 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.770 9.922 -21.252 1.00 0.00 O ATOM 0 H GLU A 15 -7.669 10.990 -17.169 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.319 9.231 -18.918 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.670 11.787 -17.446 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.344 10.889 -18.159 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.871 11.584 -19.734 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.483 12.652 -19.682 1.00 0.00 H new ATOM 236 N GLN A 16 -5.563 9.023 -15.719 1.00 0.00 N ATOM 237 CA GLN A 16 -4.844 8.221 -14.728 1.00 0.00 C ATOM 238 C GLN A 16 -5.366 6.787 -14.751 1.00 0.00 C ATOM 239 O GLN A 16 -4.589 5.831 -14.701 1.00 0.00 O ATOM 240 CB GLN A 16 -5.021 8.802 -13.324 1.00 0.00 C ATOM 241 CG GLN A 16 -3.846 9.731 -13.008 1.00 0.00 C ATOM 242 CD GLN A 16 -4.222 10.668 -11.864 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.700 10.172 -10.755 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -4.079 11.884 -11.980 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.224 9.692 -15.325 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.784 8.234 -14.980 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.960 9.351 -13.261 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.072 7.998 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.969 9.144 -12.736 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.580 10.310 -13.892 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.706 12.273 -12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.334 12.503 -11.210 1.00 0.00 H new ATOM 253 N LYS A 17 -6.695 6.650 -14.849 1.00 0.00 N ATOM 254 CA LYS A 17 -7.319 5.329 -14.909 1.00 0.00 C ATOM 255 C LYS A 17 -6.783 4.562 -16.114 1.00 0.00 C ATOM 256 O LYS A 17 -6.428 3.392 -16.011 1.00 0.00 O ATOM 257 CB LYS A 17 -8.845 5.443 -15.040 1.00 0.00 C ATOM 258 CG LYS A 17 -9.442 6.059 -13.771 1.00 0.00 C ATOM 259 CD LYS A 17 -9.086 5.197 -12.558 1.00 0.00 C ATOM 260 CE LYS A 17 -10.297 5.092 -11.627 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.103 3.889 -11.982 1.00 0.00 N ATOM 0 H LYS A 17 -7.350 7.431 -14.888 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.080 4.803 -13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.098 6.057 -15.904 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.277 4.457 -15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.061 7.071 -13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.525 6.136 -13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.778 4.203 -12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.242 5.634 -12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.966 5.027 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.910 5.989 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.020 3.929 -11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.259 3.867 -13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.593 3.031 -11.691 1.00 0.00 H new ATOM 275 N ASN A 18 -6.715 5.251 -17.259 1.00 0.00 N ATOM 276 CA ASN A 18 -6.207 4.632 -18.487 1.00 0.00 C ATOM 277 C ASN A 18 -4.689 4.441 -18.415 1.00 0.00 C ATOM 278 O ASN A 18 -4.147 3.513 -19.013 1.00 0.00 O ATOM 279 CB ASN A 18 -6.545 5.493 -19.708 1.00 0.00 C ATOM 280 CG ASN A 18 -7.874 5.035 -20.301 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.924 4.052 -21.042 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.965 5.693 -20.017 1.00 0.00 N ATOM 0 H ASN A 18 -7.001 6.225 -17.360 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.687 3.658 -18.586 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.605 6.543 -19.421 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.754 5.412 -20.454 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.858 5.393 -20.408 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.925 6.507 -19.404 1.00 0.00 H new ATOM 289 N GLU A 19 -4.013 5.328 -17.674 1.00 0.00 N ATOM 290 CA GLU A 19 -2.557 5.248 -17.524 1.00 0.00 C ATOM 291 C GLU A 19 -2.145 3.875 -16.989 1.00 0.00 C ATOM 292 O GLU A 19 -1.225 3.245 -17.513 1.00 0.00 O ATOM 293 CB GLU A 19 -2.058 6.334 -16.560 1.00 0.00 C ATOM 294 CG GLU A 19 -0.527 6.335 -16.524 1.00 0.00 C ATOM 295 CD GLU A 19 -0.042 7.344 -15.487 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.078 6.967 -14.333 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.203 8.479 -15.862 1.00 0.00 O ATOM 0 H GLU A 19 -4.448 6.103 -17.173 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.109 5.400 -18.506 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.424 7.310 -16.878 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.454 6.155 -15.560 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.158 5.339 -16.278 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.130 6.589 -17.507 1.00 0.00 H new ATOM 304 N PHE A 20 -2.837 3.421 -15.939 1.00 0.00 N ATOM 305 CA PHE A 20 -2.534 2.123 -15.338 1.00 0.00 C ATOM 306 C PHE A 20 -3.333 1.004 -16.007 1.00 0.00 C ATOM 307 O PHE A 20 -2.795 -0.065 -16.279 1.00 0.00 O ATOM 308 CB PHE A 20 -2.863 2.132 -13.846 1.00 0.00 C ATOM 309 CG PHE A 20 -1.733 2.774 -13.080 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.705 4.162 -12.906 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.717 1.980 -12.537 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.660 4.756 -12.190 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.328 2.571 -11.820 1.00 0.00 C ATOM 314 CZ PHE A 20 0.356 3.960 -11.645 1.00 0.00 C ATOM 0 H PHE A 20 -3.602 3.928 -15.494 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.469 1.941 -15.482 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.790 2.678 -13.671 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.022 1.113 -13.493 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.490 4.775 -13.324 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.740 0.909 -12.672 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.637 5.828 -12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.112 1.957 -11.402 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.161 4.418 -11.090 1.00 0.00 H new ATOM 324 N LYS A 21 -4.623 1.258 -16.259 1.00 0.00 N ATOM 325 CA LYS A 21 -5.492 0.254 -16.886 1.00 0.00 C ATOM 326 C LYS A 21 -4.920 -0.222 -18.225 1.00 0.00 C ATOM 327 O LYS A 21 -5.055 -1.393 -18.579 1.00 0.00 O ATOM 328 CB LYS A 21 -6.900 0.822 -17.102 1.00 0.00 C ATOM 329 CG LYS A 21 -7.825 -0.263 -17.666 1.00 0.00 C ATOM 330 CD LYS A 21 -8.042 -0.033 -19.166 1.00 0.00 C ATOM 331 CE LYS A 21 -8.988 1.153 -19.375 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.686 1.011 -20.686 1.00 0.00 N ATOM 0 H LYS A 21 -5.085 2.141 -16.041 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.546 -0.600 -16.211 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.298 1.196 -16.159 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.858 1.668 -17.788 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.389 -1.248 -17.499 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.782 -0.245 -17.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.088 0.160 -19.656 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.460 -0.929 -19.624 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.717 1.196 -18.566 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.427 2.087 -19.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.328 1.817 -20.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.984 0.990 -21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.234 0.127 -20.694 1.00 0.00 H new ATOM 346 N ALA A 22 -4.267 0.688 -18.961 1.00 0.00 N ATOM 347 CA ALA A 22 -3.665 0.329 -20.251 1.00 0.00 C ATOM 348 C ALA A 22 -2.602 -0.746 -20.041 1.00 0.00 C ATOM 349 O ALA A 22 -2.630 -1.802 -20.678 1.00 0.00 O ATOM 350 CB ALA A 22 -3.012 1.549 -20.902 1.00 0.00 C ATOM 0 H ALA A 22 -4.143 1.664 -18.690 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.454 -0.045 -20.904 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.572 1.260 -21.857 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.765 2.320 -21.068 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.233 1.938 -20.246 1.00 0.00 H new ATOM 356 N ALA A 23 -1.677 -0.467 -19.116 1.00 0.00 N ATOM 357 CA ALA A 23 -0.611 -1.411 -18.785 1.00 0.00 C ATOM 358 C ALA A 23 -1.209 -2.659 -18.139 1.00 0.00 C ATOM 359 O ALA A 23 -0.746 -3.775 -18.362 1.00 0.00 O ATOM 360 CB ALA A 23 0.383 -0.776 -17.808 1.00 0.00 C ATOM 0 H ALA A 23 -1.647 0.404 -18.586 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.091 -1.679 -19.705 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.170 -1.493 -17.572 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.824 0.111 -18.263 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.137 -0.494 -16.892 1.00 0.00 H new ATOM 366 N PHE A 24 -2.258 -2.448 -17.344 1.00 0.00 N ATOM 367 CA PHE A 24 -2.941 -3.548 -16.667 1.00 0.00 C ATOM 368 C PHE A 24 -3.523 -4.525 -17.690 1.00 0.00 C ATOM 369 O PHE A 24 -3.360 -5.736 -17.570 1.00 0.00 O ATOM 370 CB PHE A 24 -4.082 -3.000 -15.796 1.00 0.00 C ATOM 371 CG PHE A 24 -4.297 -3.882 -14.586 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.446 -5.265 -14.737 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.360 -3.311 -13.312 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.657 -6.073 -13.618 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.569 -4.119 -12.193 1.00 0.00 C ATOM 376 CZ PHE A 24 -4.718 -5.500 -12.346 1.00 0.00 C ATOM 0 H PHE A 24 -2.652 -1.527 -17.154 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.216 -4.069 -16.042 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.847 -1.985 -15.476 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.000 -2.946 -16.381 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.398 -5.708 -15.721 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.247 -2.244 -13.193 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.773 -7.140 -13.736 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.616 -3.677 -11.209 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.880 -6.125 -11.480 1.00 0.00 H new ATOM 386 N ASP A 25 -4.209 -3.974 -18.695 1.00 0.00 N ATOM 387 CA ASP A 25 -4.837 -4.788 -19.743 1.00 0.00 C ATOM 388 C ASP A 25 -3.817 -5.664 -20.479 1.00 0.00 C ATOM 389 O ASP A 25 -4.074 -6.842 -20.734 1.00 0.00 O ATOM 390 CB ASP A 25 -5.541 -3.887 -20.765 1.00 0.00 C ATOM 391 CG ASP A 25 -6.580 -4.696 -21.535 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.222 -5.273 -22.549 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.720 -4.725 -21.102 1.00 0.00 O ATOM 0 H ASP A 25 -4.344 -2.969 -18.806 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.560 -5.438 -19.250 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.021 -3.051 -20.257 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.811 -3.464 -21.455 1.00 0.00 H new ATOM 398 N ILE A 26 -2.672 -5.075 -20.831 1.00 0.00 N ATOM 399 CA ILE A 26 -1.630 -5.814 -21.557 1.00 0.00 C ATOM 400 C ILE A 26 -0.918 -6.822 -20.648 1.00 0.00 C ATOM 401 O ILE A 26 -0.552 -7.913 -21.088 1.00 0.00 O ATOM 402 CB ILE A 26 -0.592 -4.854 -22.166 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.010 -3.964 -21.070 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.271 -3.972 -23.217 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.153 -3.124 -21.644 1.00 0.00 C ATOM 0 H ILE A 26 -2.442 -4.102 -20.630 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.128 -6.358 -22.359 1.00 0.00 H new ATOM 0 HB ILE A 26 0.203 -5.438 -22.630 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.759 -3.312 -20.657 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.378 -4.581 -20.251 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.538 -3.291 -23.650 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.691 -4.600 -24.003 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.069 -3.396 -22.748 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.573 -2.496 -20.858 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.928 -3.783 -22.035 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.773 -2.494 -22.448 1.00 0.00 H new ATOM 417 N PHE A 27 -0.723 -6.447 -19.381 1.00 0.00 N ATOM 418 CA PHE A 27 -0.045 -7.331 -18.425 1.00 0.00 C ATOM 419 C PHE A 27 -0.969 -8.462 -17.962 1.00 0.00 C ATOM 420 O PHE A 27 -0.513 -9.583 -17.733 1.00 0.00 O ATOM 421 CB PHE A 27 0.439 -6.543 -17.198 1.00 0.00 C ATOM 422 CG PHE A 27 1.457 -5.494 -17.609 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.252 -5.677 -18.753 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.602 -4.329 -16.843 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.181 -4.700 -19.126 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.534 -3.352 -17.220 1.00 0.00 C ATOM 427 CZ PHE A 27 3.322 -3.538 -18.360 1.00 0.00 C ATOM 0 H PHE A 27 -1.020 -5.550 -18.996 1.00 0.00 H new ATOM 0 HA PHE A 27 0.814 -7.762 -18.940 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.409 -6.064 -16.708 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.883 -7.225 -16.472 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.146 -6.574 -19.345 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.995 -4.184 -15.962 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.790 -4.843 -20.006 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.643 -2.455 -16.629 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.040 -2.784 -18.649 1.00 0.00 H new ATOM 437 N ILE A 28 -2.267 -8.163 -17.830 1.00 0.00 N ATOM 438 CA ILE A 28 -3.233 -9.177 -17.395 1.00 0.00 C ATOM 439 C ILE A 28 -4.169 -9.565 -18.553 1.00 0.00 C ATOM 440 O ILE A 28 -5.381 -9.718 -18.388 1.00 0.00 O ATOM 441 CB ILE A 28 -4.023 -8.670 -16.165 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.522 -9.864 -15.352 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.220 -7.803 -16.576 1.00 0.00 C ATOM 444 CD1 ILE A 28 -3.326 -10.698 -14.890 1.00 0.00 C ATOM 0 H ILE A 28 -2.667 -7.243 -18.015 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.694 -10.076 -17.097 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.350 -8.056 -15.566 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.093 -9.518 -14.490 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.194 -10.474 -15.956 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.749 -7.467 -15.684 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.867 -6.937 -17.137 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.896 -8.388 -17.200 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.679 -11.550 -14.310 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.774 -11.055 -15.759 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.672 -10.084 -14.271 1.00 0.00 H new ATOM 456 N GLN A 29 -3.570 -9.735 -19.732 1.00 0.00 N ATOM 457 CA GLN A 29 -4.325 -10.106 -20.931 1.00 0.00 C ATOM 458 C GLN A 29 -4.645 -11.604 -20.945 1.00 0.00 C ATOM 459 O GLN A 29 -5.780 -12.001 -21.220 1.00 0.00 O ATOM 460 CB GLN A 29 -3.520 -9.755 -22.188 1.00 0.00 C ATOM 461 CG GLN A 29 -4.342 -10.079 -23.439 1.00 0.00 C ATOM 462 CD GLN A 29 -3.636 -9.523 -24.672 1.00 0.00 C ATOM 463 OE1 GLN A 29 -3.012 -10.269 -25.425 1.00 0.00 O ATOM 464 NE2 GLN A 29 -3.696 -8.242 -24.927 1.00 0.00 N ATOM 0 H GLN A 29 -2.568 -9.622 -19.883 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.261 -9.548 -20.919 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.257 -8.697 -22.179 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.585 -10.316 -22.201 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.468 -11.157 -23.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.339 -9.648 -23.353 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.213 -7.622 -24.304 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.226 -7.863 -25.749 1.00 0.00 H new ATOM 473 N ASP A 30 -3.632 -12.428 -20.667 1.00 0.00 N ATOM 474 CA ASP A 30 -3.814 -13.885 -20.675 1.00 0.00 C ATOM 475 C ASP A 30 -4.394 -14.417 -19.353 1.00 0.00 C ATOM 476 O ASP A 30 -4.626 -15.621 -19.222 1.00 0.00 O ATOM 477 CB ASP A 30 -2.476 -14.584 -20.943 1.00 0.00 C ATOM 478 CG ASP A 30 -2.030 -14.307 -22.377 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.380 -13.297 -22.591 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.348 -15.109 -23.241 1.00 0.00 O ATOM 0 H ASP A 30 -2.688 -12.119 -20.436 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.527 -14.104 -21.469 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.721 -14.228 -20.242 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.577 -15.658 -20.784 1.00 0.00 H new ATOM 485 N ALA A 31 -4.639 -13.529 -18.379 1.00 0.00 N ATOM 486 CA ALA A 31 -5.198 -13.963 -17.097 1.00 0.00 C ATOM 487 C ALA A 31 -6.703 -13.710 -17.048 1.00 0.00 C ATOM 488 O ALA A 31 -7.226 -12.835 -17.743 1.00 0.00 O ATOM 489 CB ALA A 31 -4.532 -13.230 -15.931 1.00 0.00 C ATOM 0 H ALA A 31 -4.462 -12.527 -18.453 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.007 -15.032 -17.005 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.966 -13.571 -14.991 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.462 -13.439 -15.934 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.693 -12.157 -16.036 1.00 0.00 H new ATOM 495 N GLU A 32 -7.388 -14.485 -16.206 1.00 0.00 N ATOM 496 CA GLU A 32 -8.837 -14.351 -16.049 1.00 0.00 C ATOM 497 C GLU A 32 -9.189 -13.999 -14.598 1.00 0.00 C ATOM 498 O GLU A 32 -10.181 -14.484 -14.047 1.00 0.00 O ATOM 499 CB GLU A 32 -9.540 -15.658 -16.443 1.00 0.00 C ATOM 500 CG GLU A 32 -9.503 -15.829 -17.966 1.00 0.00 C ATOM 501 CD GLU A 32 -10.536 -14.909 -18.613 1.00 0.00 C ATOM 502 OE1 GLU A 32 -11.690 -15.299 -18.675 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.156 -13.830 -19.037 1.00 0.00 O ATOM 0 H GLU A 32 -6.965 -15.209 -15.625 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.177 -13.549 -16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.051 -16.504 -15.961 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.573 -15.646 -16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.507 -15.596 -18.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.710 -16.866 -18.230 1.00 0.00 H new ATOM 510 N ASP A 33 -8.360 -13.145 -13.987 1.00 0.00 N ATOM 511 CA ASP A 33 -8.581 -12.727 -12.601 1.00 0.00 C ATOM 512 C ASP A 33 -8.627 -11.202 -12.498 1.00 0.00 C ATOM 513 O ASP A 33 -9.566 -10.638 -11.931 1.00 0.00 O ATOM 514 CB ASP A 33 -7.465 -13.262 -11.697 1.00 0.00 C ATOM 515 CG ASP A 33 -7.989 -13.412 -10.271 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.911 -12.449 -9.527 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.462 -14.488 -9.945 1.00 0.00 O ATOM 0 H ASP A 33 -7.537 -12.734 -14.427 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.537 -13.136 -12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.112 -14.224 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.613 -12.582 -11.713 1.00 0.00 H new ATOM 522 N GLY A 34 -7.605 -10.543 -13.051 1.00 0.00 N ATOM 523 CA GLY A 34 -7.535 -9.082 -13.021 1.00 0.00 C ATOM 524 C GLY A 34 -6.486 -8.594 -12.022 1.00 0.00 C ATOM 525 O GLY A 34 -6.714 -7.623 -11.297 1.00 0.00 O ATOM 0 H GLY A 34 -6.821 -10.995 -13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.294 -8.707 -14.016 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.510 -8.675 -12.755 1.00 0.00 H new ATOM 529 N CYS A 35 -5.333 -9.274 -11.993 1.00 0.00 N ATOM 530 CA CYS A 35 -4.245 -8.896 -11.081 1.00 0.00 C ATOM 531 C CYS A 35 -2.893 -9.188 -11.730 1.00 0.00 C ATOM 532 O CYS A 35 -2.635 -10.311 -12.166 1.00 0.00 O ATOM 533 CB CYS A 35 -4.332 -9.667 -9.759 1.00 0.00 C ATOM 534 SG CYS A 35 -6.056 -9.789 -9.216 1.00 0.00 S ATOM 0 H CYS A 35 -5.130 -10.080 -12.584 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.343 -7.830 -10.876 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.911 -10.665 -9.883 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.738 -9.163 -8.996 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.506 -10.983 -9.464 1.00 0.00 H new ATOM 540 N ILE A 36 -2.031 -8.169 -11.787 1.00 0.00 N ATOM 541 CA ILE A 36 -0.704 -8.340 -12.393 1.00 0.00 C ATOM 542 C ILE A 36 0.251 -9.026 -11.412 1.00 0.00 C ATOM 543 O ILE A 36 -0.064 -9.198 -10.233 1.00 0.00 O ATOM 544 CB ILE A 36 -0.104 -6.989 -12.836 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.350 -6.176 -11.614 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.148 -6.186 -13.620 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.876 -6.255 -11.484 1.00 0.00 C ATOM 0 H ILE A 36 -2.221 -7.233 -11.429 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.830 -8.967 -13.276 1.00 0.00 H new ATOM 0 HB ILE A 36 0.759 -7.187 -13.472 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.037 -5.137 -11.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.123 -6.562 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.717 -5.234 -13.929 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.454 -6.750 -14.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.017 -6.003 -12.987 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.198 -5.678 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.177 -7.295 -11.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.339 -5.848 -12.383 1.00 0.00 H new ATOM 559 N SER A 37 1.423 -9.418 -11.917 1.00 0.00 N ATOM 560 CA SER A 37 2.419 -10.089 -11.082 1.00 0.00 C ATOM 561 C SER A 37 3.312 -9.067 -10.380 1.00 0.00 C ATOM 562 O SER A 37 4.137 -8.404 -11.014 1.00 0.00 O ATOM 563 CB SER A 37 3.290 -11.022 -11.928 1.00 0.00 C ATOM 564 OG SER A 37 3.636 -12.166 -11.158 1.00 0.00 O ATOM 0 H SER A 37 1.703 -9.284 -12.889 1.00 0.00 H new ATOM 0 HA SER A 37 1.886 -10.674 -10.333 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.753 -11.323 -12.828 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.191 -10.502 -12.253 1.00 0.00 H new ATOM 0 HG SER A 37 4.192 -12.767 -11.697 1.00 0.00 H new ATOM 570 N THR A 38 3.135 -8.951 -9.059 1.00 0.00 N ATOM 571 CA THR A 38 3.928 -8.012 -8.252 1.00 0.00 C ATOM 572 C THR A 38 5.424 -8.223 -8.485 1.00 0.00 C ATOM 573 O THR A 38 6.185 -7.265 -8.605 1.00 0.00 O ATOM 574 CB THR A 38 3.643 -8.189 -6.754 1.00 0.00 C ATOM 575 OG1 THR A 38 3.942 -9.524 -6.356 1.00 0.00 O ATOM 576 CG2 THR A 38 2.173 -7.884 -6.464 1.00 0.00 C ATOM 0 H THR A 38 2.454 -9.492 -8.527 1.00 0.00 H new ATOM 0 HA THR A 38 3.642 -7.007 -8.561 1.00 0.00 H new ATOM 0 HB THR A 38 4.271 -7.498 -6.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.914 -9.588 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.978 -8.012 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.951 -6.857 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.541 -8.566 -7.033 1.00 0.00 H new ATOM 584 N LYS A 39 5.830 -9.495 -8.551 1.00 0.00 N ATOM 585 CA LYS A 39 7.239 -9.836 -8.778 1.00 0.00 C ATOM 586 C LYS A 39 7.728 -9.279 -10.122 1.00 0.00 C ATOM 587 O LYS A 39 8.914 -8.987 -10.286 1.00 0.00 O ATOM 588 CB LYS A 39 7.437 -11.359 -8.759 1.00 0.00 C ATOM 589 CG LYS A 39 6.639 -12.008 -9.898 1.00 0.00 C ATOM 590 CD LYS A 39 6.306 -13.459 -9.537 1.00 0.00 C ATOM 591 CE LYS A 39 7.270 -14.404 -10.261 1.00 0.00 C ATOM 592 NZ LYS A 39 7.614 -15.548 -9.368 1.00 0.00 N ATOM 0 H LYS A 39 5.210 -10.299 -8.452 1.00 0.00 H new ATOM 0 HA LYS A 39 7.821 -9.386 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.495 -11.597 -8.864 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.113 -11.764 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.721 -11.448 -10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.216 -11.977 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.381 -13.602 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.278 -13.687 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.813 -14.771 -11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.175 -13.868 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.268 -16.189 -9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.066 -15.189 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.747 -16.065 -9.117 1.00 0.00 H new ATOM 606 N GLU A 40 6.801 -9.137 -11.077 1.00 0.00 N ATOM 607 CA GLU A 40 7.144 -8.616 -12.401 1.00 0.00 C ATOM 608 C GLU A 40 6.760 -7.133 -12.545 1.00 0.00 C ATOM 609 O GLU A 40 6.602 -6.635 -13.659 1.00 0.00 O ATOM 610 CB GLU A 40 6.429 -9.423 -13.492 1.00 0.00 C ATOM 611 CG GLU A 40 6.856 -10.892 -13.414 1.00 0.00 C ATOM 612 CD GLU A 40 6.185 -11.679 -14.536 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.756 -11.745 -15.612 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.108 -12.205 -14.303 1.00 0.00 O ATOM 0 H GLU A 40 5.816 -9.374 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 40 8.224 -8.709 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.349 -9.342 -13.369 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.669 -9.016 -14.474 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.940 -10.971 -13.498 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.580 -11.311 -12.446 1.00 0.00 H new ATOM 621 N LEU A 41 6.619 -6.428 -11.408 1.00 0.00 N ATOM 622 CA LEU A 41 6.262 -4.997 -11.422 1.00 0.00 C ATOM 623 C LEU A 41 7.214 -4.173 -12.306 1.00 0.00 C ATOM 624 O LEU A 41 6.877 -3.061 -12.708 1.00 0.00 O ATOM 625 CB LEU A 41 6.302 -4.415 -10.001 1.00 0.00 C ATOM 626 CG LEU A 41 5.044 -3.654 -9.554 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.684 -2.578 -10.583 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.877 -4.632 -9.414 1.00 0.00 C ATOM 0 H LEU A 41 6.745 -6.821 -10.475 1.00 0.00 H new ATOM 0 HA LEU A 41 5.254 -4.934 -11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.479 -5.230 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.156 -3.742 -9.928 1.00 0.00 H new ATOM 0 HG LEU A 41 5.242 -3.177 -8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.791 -2.046 -10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.511 -1.875 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.493 -3.047 -11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.985 -4.091 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.688 -5.113 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.125 -5.390 -8.671 1.00 0.00 H new ATOM 640 N GLY A 42 8.404 -4.721 -12.598 1.00 0.00 N ATOM 641 CA GLY A 42 9.391 -4.021 -13.430 1.00 0.00 C ATOM 642 C GLY A 42 8.798 -3.542 -14.761 1.00 0.00 C ATOM 643 O GLY A 42 9.190 -2.493 -15.276 1.00 0.00 O ATOM 0 H GLY A 42 8.703 -5.640 -12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.783 -3.165 -12.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.232 -4.685 -13.628 1.00 0.00 H new ATOM 647 N LYS A 43 7.846 -4.311 -15.312 1.00 0.00 N ATOM 648 CA LYS A 43 7.209 -3.938 -16.584 1.00 0.00 C ATOM 649 C LYS A 43 6.355 -2.677 -16.419 1.00 0.00 C ATOM 650 O LYS A 43 6.123 -1.941 -17.379 1.00 0.00 O ATOM 651 CB LYS A 43 6.320 -5.079 -17.103 1.00 0.00 C ATOM 652 CG LYS A 43 5.172 -5.338 -16.121 1.00 0.00 C ATOM 653 CD LYS A 43 4.405 -6.590 -16.548 1.00 0.00 C ATOM 654 CE LYS A 43 5.020 -7.825 -15.889 1.00 0.00 C ATOM 655 NZ LYS A 43 4.577 -9.051 -16.614 1.00 0.00 N ATOM 0 H LYS A 43 7.505 -5.181 -14.904 1.00 0.00 H new ATOM 0 HA LYS A 43 8.005 -3.742 -17.303 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.920 -4.822 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.913 -5.985 -17.229 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.565 -5.466 -15.112 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.501 -4.479 -16.095 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.356 -6.499 -16.264 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.434 -6.693 -17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.108 -7.754 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.719 -7.880 -14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.996 -9.890 -16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.540 -9.120 -16.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.886 -8.999 -17.606 1.00 0.00 H new ATOM 669 N VAL A 44 5.895 -2.440 -15.188 1.00 0.00 N ATOM 670 CA VAL A 44 5.071 -1.273 -14.887 1.00 0.00 C ATOM 671 C VAL A 44 5.945 -0.122 -14.413 1.00 0.00 C ATOM 672 O VAL A 44 5.755 1.020 -14.821 1.00 0.00 O ATOM 673 CB VAL A 44 4.051 -1.580 -13.787 1.00 0.00 C ATOM 674 CG1 VAL A 44 2.931 -0.542 -13.851 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.468 -2.987 -13.979 1.00 0.00 C ATOM 0 H VAL A 44 6.081 -3.042 -14.386 1.00 0.00 H new ATOM 0 HA VAL A 44 4.545 -1.003 -15.803 1.00 0.00 H new ATOM 0 HB VAL A 44 4.541 -1.539 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.197 -0.750 -13.072 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.348 0.454 -13.700 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.447 -0.588 -14.827 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.744 -3.192 -13.190 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.974 -3.047 -14.949 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.271 -3.723 -13.935 1.00 0.00 H new ATOM 685 N MET A 45 6.898 -0.443 -13.535 1.00 0.00 N ATOM 686 CA MET A 45 7.809 0.564 -12.990 1.00 0.00 C ATOM 687 C MET A 45 8.462 1.361 -14.115 1.00 0.00 C ATOM 688 O MET A 45 8.539 2.586 -14.050 1.00 0.00 O ATOM 689 CB MET A 45 8.907 -0.101 -12.151 1.00 0.00 C ATOM 690 CG MET A 45 8.328 -0.549 -10.806 1.00 0.00 C ATOM 691 SD MET A 45 8.424 0.817 -9.620 1.00 0.00 S ATOM 692 CE MET A 45 6.691 1.333 -9.722 1.00 0.00 C ATOM 0 H MET A 45 7.058 -1.389 -13.188 1.00 0.00 H new ATOM 0 HA MET A 45 7.225 1.235 -12.360 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.317 -0.958 -12.685 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.728 0.597 -11.990 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.292 -0.864 -10.931 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.880 -1.411 -10.430 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.634 2.336 -10.144 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.142 0.640 -10.359 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.252 1.334 -8.724 1.00 0.00 H new ATOM 702 N ARG A 46 8.918 0.653 -15.152 1.00 0.00 N ATOM 703 CA ARG A 46 9.557 1.311 -16.297 1.00 0.00 C ATOM 704 C ARG A 46 8.562 2.213 -17.041 1.00 0.00 C ATOM 705 O ARG A 46 8.941 3.247 -17.595 1.00 0.00 O ATOM 706 CB ARG A 46 10.131 0.273 -17.273 1.00 0.00 C ATOM 707 CG ARG A 46 9.002 -0.588 -17.851 1.00 0.00 C ATOM 708 CD ARG A 46 9.597 -1.809 -18.557 1.00 0.00 C ATOM 709 NE ARG A 46 8.911 -2.056 -19.828 1.00 0.00 N ATOM 710 CZ ARG A 46 9.208 -1.366 -20.940 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.136 -0.438 -20.930 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.565 -1.623 -22.049 1.00 0.00 N ATOM 0 H ARG A 46 8.858 -0.363 -15.224 1.00 0.00 H new ATOM 0 HA ARG A 46 10.369 1.925 -15.909 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.664 0.777 -18.079 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.855 -0.360 -16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.330 -0.908 -17.054 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.408 -0.003 -18.553 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.660 -1.650 -18.737 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.510 -2.685 -17.915 1.00 0.00 H new ATOM 0 HE ARG A 46 8.187 -2.773 -19.869 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.643 -0.233 -20.069 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.350 0.078 -21.783 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.843 -2.344 -22.065 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.785 -1.103 -22.898 1.00 0.00 H new ATOM 726 N MET A 47 7.287 1.812 -17.039 1.00 0.00 N ATOM 727 CA MET A 47 6.236 2.587 -17.707 1.00 0.00 C ATOM 728 C MET A 47 5.793 3.770 -16.837 1.00 0.00 C ATOM 729 O MET A 47 5.387 4.813 -17.351 1.00 0.00 O ATOM 730 CB MET A 47 5.020 1.699 -17.998 1.00 0.00 C ATOM 731 CG MET A 47 5.335 0.760 -19.165 1.00 0.00 C ATOM 732 SD MET A 47 5.152 1.653 -20.730 1.00 0.00 S ATOM 733 CE MET A 47 6.914 1.901 -21.066 1.00 0.00 C ATOM 0 H MET A 47 6.958 0.960 -16.585 1.00 0.00 H new ATOM 0 HA MET A 47 6.647 2.965 -18.643 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.760 1.119 -17.112 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.155 2.317 -18.239 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.350 0.375 -19.071 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.665 -0.099 -19.145 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.107 2.961 -21.231 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.499 1.554 -20.214 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.198 1.338 -21.955 1.00 0.00 H new ATOM 743 N LEU A 48 5.878 3.589 -15.515 1.00 0.00 N ATOM 744 CA LEU A 48 5.489 4.636 -14.566 1.00 0.00 C ATOM 745 C LEU A 48 6.562 5.730 -14.493 1.00 0.00 C ATOM 746 O LEU A 48 6.263 6.886 -14.193 1.00 0.00 O ATOM 747 CB LEU A 48 5.290 4.033 -13.169 1.00 0.00 C ATOM 748 CG LEU A 48 3.884 3.482 -12.869 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.221 2.977 -14.155 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.995 2.321 -11.872 1.00 0.00 C ATOM 0 H LEU A 48 6.212 2.729 -15.079 1.00 0.00 H new ATOM 0 HA LEU A 48 4.555 5.077 -14.913 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.011 3.227 -13.036 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.526 4.797 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 48 3.276 4.282 -12.447 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.228 2.591 -13.925 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.135 3.798 -14.867 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.828 2.182 -14.589 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.001 1.929 -11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.612 1.531 -12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.451 2.677 -10.948 1.00 0.00 H new ATOM 762 N GLY A 49 7.813 5.346 -14.773 1.00 0.00 N ATOM 763 CA GLY A 49 8.933 6.292 -14.741 1.00 0.00 C ATOM 764 C GLY A 49 9.929 5.946 -13.630 1.00 0.00 C ATOM 765 O GLY A 49 10.575 6.833 -13.069 1.00 0.00 O ATOM 0 H GLY A 49 8.074 4.392 -15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.444 6.285 -15.704 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.553 7.302 -14.589 1.00 0.00 H new ATOM 769 N GLN A 50 10.047 4.649 -13.322 1.00 0.00 N ATOM 770 CA GLN A 50 10.966 4.189 -12.276 1.00 0.00 C ATOM 771 C GLN A 50 11.781 2.992 -12.770 1.00 0.00 C ATOM 772 O GLN A 50 11.406 2.324 -13.737 1.00 0.00 O ATOM 773 CB GLN A 50 10.193 3.767 -11.016 1.00 0.00 C ATOM 774 CG GLN A 50 9.155 4.833 -10.638 1.00 0.00 C ATOM 775 CD GLN A 50 9.856 6.096 -10.137 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.840 6.022 -9.400 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.399 7.266 -10.495 1.00 0.00 N ATOM 0 H GLN A 50 9.521 3.904 -13.779 1.00 0.00 H new ATOM 0 HA GLN A 50 11.632 5.018 -12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.696 2.813 -11.190 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.888 3.618 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.535 5.071 -11.503 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.490 4.446 -9.866 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.584 7.330 -11.105 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.857 8.115 -10.164 1.00 0.00 H new ATOM 786 N ASN A 51 12.897 2.722 -12.089 1.00 0.00 N ATOM 787 CA ASN A 51 13.759 1.596 -12.458 1.00 0.00 C ATOM 788 C ASN A 51 14.456 1.018 -11.217 1.00 0.00 C ATOM 789 O ASN A 51 15.682 1.073 -11.095 1.00 0.00 O ATOM 790 CB ASN A 51 14.816 2.046 -13.478 1.00 0.00 C ATOM 791 CG ASN A 51 15.253 0.858 -14.337 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.420 -0.255 -13.836 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.455 1.033 -15.616 1.00 0.00 N ATOM 0 H ASN A 51 13.223 3.261 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 51 13.134 0.823 -12.905 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.409 2.834 -14.112 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.677 2.467 -12.960 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.750 0.249 -16.198 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.317 1.954 -16.033 1.00 0.00 H new ATOM 800 N PRO A 52 13.677 0.455 -10.279 1.00 0.00 N ATOM 801 CA PRO A 52 14.226 -0.135 -9.043 1.00 0.00 C ATOM 802 C PRO A 52 14.676 -1.590 -9.236 1.00 0.00 C ATOM 803 O PRO A 52 14.890 -2.045 -10.362 1.00 0.00 O ATOM 804 CB PRO A 52 13.031 -0.056 -8.098 1.00 0.00 C ATOM 805 CG PRO A 52 11.779 -0.027 -8.966 1.00 0.00 C ATOM 806 CD PRO A 52 12.204 0.375 -10.383 1.00 0.00 C ATOM 0 HA PRO A 52 15.119 0.379 -8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.014 -0.913 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.090 0.837 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.296 -1.004 -8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.054 0.683 -8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.891 -0.362 -11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.768 1.329 -10.680 1.00 0.00 H new ATOM 814 N THR A 53 14.809 -2.311 -8.120 1.00 0.00 N ATOM 815 CA THR A 53 15.224 -3.716 -8.154 1.00 0.00 C ATOM 816 C THR A 53 14.037 -4.605 -7.754 1.00 0.00 C ATOM 817 O THR A 53 12.995 -4.095 -7.339 1.00 0.00 O ATOM 818 CB THR A 53 16.402 -3.948 -7.185 1.00 0.00 C ATOM 819 OG1 THR A 53 15.910 -4.172 -5.870 1.00 0.00 O ATOM 820 CG2 THR A 53 17.324 -2.725 -7.173 1.00 0.00 C ATOM 0 H THR A 53 14.636 -1.946 -7.183 1.00 0.00 H new ATOM 0 HA THR A 53 15.548 -3.970 -9.163 1.00 0.00 H new ATOM 0 HB THR A 53 16.962 -4.821 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.663 -4.320 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.152 -2.900 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.715 -2.554 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.762 -1.849 -6.849 1.00 0.00 H new ATOM 828 N PRO A 54 14.172 -5.937 -7.857 1.00 0.00 N ATOM 829 CA PRO A 54 13.081 -6.859 -7.478 1.00 0.00 C ATOM 830 C PRO A 54 12.887 -6.932 -5.962 1.00 0.00 C ATOM 831 O PRO A 54 11.783 -7.189 -5.479 1.00 0.00 O ATOM 832 CB PRO A 54 13.546 -8.188 -8.061 1.00 0.00 C ATOM 833 CG PRO A 54 15.056 -8.096 -8.215 1.00 0.00 C ATOM 834 CD PRO A 54 15.403 -6.609 -8.335 1.00 0.00 C ATOM 0 HA PRO A 54 12.107 -6.544 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.274 -9.014 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.070 -8.376 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.559 -8.542 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.388 -8.642 -9.098 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.268 -6.347 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.641 -6.332 -9.362 1.00 0.00 H new ATOM 842 N GLU A 55 13.970 -6.673 -5.221 1.00 0.00 N ATOM 843 CA GLU A 55 13.908 -6.679 -3.761 1.00 0.00 C ATOM 844 C GLU A 55 13.341 -5.347 -3.258 1.00 0.00 C ATOM 845 O GLU A 55 12.603 -5.309 -2.273 1.00 0.00 O ATOM 846 CB GLU A 55 15.303 -6.893 -3.161 1.00 0.00 C ATOM 847 CG GLU A 55 15.754 -8.337 -3.412 1.00 0.00 C ATOM 848 CD GLU A 55 17.273 -8.384 -3.555 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.751 -8.185 -4.660 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.935 -8.622 -2.558 1.00 0.00 O ATOM 0 H GLU A 55 14.890 -6.459 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 55 13.259 -7.497 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.013 -6.197 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.285 -6.688 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.437 -8.976 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.282 -8.724 -4.315 1.00 0.00 H new ATOM 857 N GLU A 56 13.693 -4.257 -3.956 1.00 0.00 N ATOM 858 CA GLU A 56 13.220 -2.922 -3.584 1.00 0.00 C ATOM 859 C GLU A 56 11.748 -2.735 -3.956 1.00 0.00 C ATOM 860 O GLU A 56 10.959 -2.235 -3.152 1.00 0.00 O ATOM 861 CB GLU A 56 14.055 -1.841 -4.281 1.00 0.00 C ATOM 862 CG GLU A 56 13.889 -0.506 -3.547 1.00 0.00 C ATOM 863 CD GLU A 56 14.918 -0.404 -2.424 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.621 -0.858 -1.331 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.987 0.128 -2.673 1.00 0.00 O ATOM 0 H GLU A 56 14.300 -4.276 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 56 13.328 -2.826 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.105 -2.132 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.740 -1.738 -5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.015 0.322 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.882 -0.428 -3.138 1.00 0.00 H new ATOM 872 N LEU A 57 11.382 -3.135 -5.182 1.00 0.00 N ATOM 873 CA LEU A 57 9.997 -2.998 -5.640 1.00 0.00 C ATOM 874 C LEU A 57 9.042 -3.811 -4.758 1.00 0.00 C ATOM 875 O LEU A 57 7.900 -3.412 -4.542 1.00 0.00 O ATOM 876 CB LEU A 57 9.855 -3.437 -7.105 1.00 0.00 C ATOM 877 CG LEU A 57 9.913 -4.949 -7.371 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.526 -5.569 -7.158 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.354 -5.190 -8.818 1.00 0.00 C ATOM 0 H LEU A 57 12.017 -3.550 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 57 9.730 -1.944 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.906 -3.059 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.644 -2.957 -7.684 1.00 0.00 H new ATOM 0 HG LEU A 57 10.623 -5.408 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.574 -6.641 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.204 -5.397 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.813 -5.110 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.397 -6.262 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.639 -4.727 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.340 -4.753 -8.975 1.00 0.00 H new ATOM 891 N GLN A 58 9.520 -4.952 -4.244 1.00 0.00 N ATOM 892 CA GLN A 58 8.688 -5.799 -3.380 1.00 0.00 C ATOM 893 C GLN A 58 8.256 -5.042 -2.118 1.00 0.00 C ATOM 894 O GLN A 58 7.162 -5.265 -1.599 1.00 0.00 O ATOM 895 CB GLN A 58 9.445 -7.065 -2.964 1.00 0.00 C ATOM 896 CG GLN A 58 8.991 -8.244 -3.833 1.00 0.00 C ATOM 897 CD GLN A 58 7.602 -8.707 -3.389 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.471 -9.438 -2.408 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.549 -8.322 -4.061 1.00 0.00 N ATOM 0 H GLN A 58 10.463 -5.305 -4.408 1.00 0.00 H new ATOM 0 HA GLN A 58 7.804 -6.076 -3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.519 -6.912 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.260 -7.283 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.968 -7.948 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.703 -9.065 -3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.657 -7.716 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.620 -8.628 -3.772 1.00 0.00 H new ATOM 908 N GLU A 59 9.127 -4.147 -1.631 1.00 0.00 N ATOM 909 CA GLU A 59 8.824 -3.363 -0.427 1.00 0.00 C ATOM 910 C GLU A 59 7.600 -2.474 -0.641 1.00 0.00 C ATOM 911 O GLU A 59 6.667 -2.492 0.164 1.00 0.00 O ATOM 912 CB GLU A 59 10.016 -2.482 -0.038 1.00 0.00 C ATOM 913 CG GLU A 59 11.071 -3.329 0.682 1.00 0.00 C ATOM 914 CD GLU A 59 12.457 -2.730 0.453 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.724 -1.672 0.999 1.00 0.00 O ATOM 916 OE2 GLU A 59 13.232 -3.340 -0.265 1.00 0.00 O ATOM 0 H GLU A 59 10.037 -3.950 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 59 8.616 -4.071 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.448 -2.025 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.684 -1.670 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.853 -3.368 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.042 -4.354 0.313 1.00 0.00 H new ATOM 923 N MET A 60 7.604 -1.701 -1.735 1.00 0.00 N ATOM 924 CA MET A 60 6.472 -0.815 -2.031 1.00 0.00 C ATOM 925 C MET A 60 5.208 -1.631 -2.312 1.00 0.00 C ATOM 926 O MET A 60 4.097 -1.181 -2.033 1.00 0.00 O ATOM 927 CB MET A 60 6.773 0.110 -3.223 1.00 0.00 C ATOM 928 CG MET A 60 7.026 -0.710 -4.493 1.00 0.00 C ATOM 929 SD MET A 60 6.777 0.341 -5.946 1.00 0.00 S ATOM 930 CE MET A 60 8.488 0.904 -6.119 1.00 0.00 C ATOM 0 H MET A 60 8.362 -1.671 -2.417 1.00 0.00 H new ATOM 0 HA MET A 60 6.308 -0.192 -1.151 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.936 0.789 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.645 0.725 -3.001 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.041 -1.107 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.350 -1.564 -4.528 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.524 1.754 -6.800 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.873 1.203 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.099 0.094 -6.517 1.00 0.00 H new ATOM 940 N ILE A 61 5.395 -2.842 -2.850 1.00 0.00 N ATOM 941 CA ILE A 61 4.266 -3.724 -3.146 1.00 0.00 C ATOM 942 C ILE A 61 3.625 -4.207 -1.847 1.00 0.00 C ATOM 943 O ILE A 61 2.410 -4.153 -1.691 1.00 0.00 O ATOM 944 CB ILE A 61 4.719 -4.941 -3.966 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.112 -4.494 -5.382 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.582 -5.967 -4.047 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.939 -3.775 -6.056 1.00 0.00 C ATOM 0 H ILE A 61 6.309 -3.228 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 61 3.540 -3.156 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 61 5.580 -5.398 -3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.976 -3.831 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.407 -5.359 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.910 -6.828 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.312 -6.291 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.715 -5.512 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.231 -3.463 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.086 -4.451 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.664 -2.898 -5.469 1.00 0.00 H new ATOM 959 N ASP A 62 4.461 -4.674 -0.915 1.00 0.00 N ATOM 960 CA ASP A 62 3.961 -5.157 0.374 1.00 0.00 C ATOM 961 C ASP A 62 3.212 -4.044 1.114 1.00 0.00 C ATOM 962 O ASP A 62 2.238 -4.303 1.821 1.00 0.00 O ATOM 963 CB ASP A 62 5.117 -5.653 1.249 1.00 0.00 C ATOM 964 CG ASP A 62 5.358 -7.136 0.981 1.00 0.00 C ATOM 965 OD1 ASP A 62 6.120 -7.441 0.078 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.775 -7.948 1.683 1.00 0.00 O ATOM 0 H ASP A 62 5.473 -4.727 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 62 3.277 -5.983 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.020 -5.082 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.883 -5.496 2.302 1.00 0.00 H new ATOM 971 N GLU A 63 3.681 -2.802 0.937 1.00 0.00 N ATOM 972 CA GLU A 63 3.050 -1.651 1.588 1.00 0.00 C ATOM 973 C GLU A 63 1.681 -1.348 0.967 1.00 0.00 C ATOM 974 O GLU A 63 0.682 -1.235 1.678 1.00 0.00 O ATOM 975 CB GLU A 63 3.941 -0.411 1.468 1.00 0.00 C ATOM 976 CG GLU A 63 5.152 -0.557 2.394 1.00 0.00 C ATOM 977 CD GLU A 63 6.190 0.509 2.055 1.00 0.00 C ATOM 978 OE1 GLU A 63 7.017 0.252 1.195 1.00 0.00 O ATOM 979 OE2 GLU A 63 6.144 1.567 2.660 1.00 0.00 O ATOM 0 H GLU A 63 4.486 -2.572 0.355 1.00 0.00 H new ATOM 0 HA GLU A 63 2.914 -1.902 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.272 -0.287 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.375 0.483 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.841 -0.458 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.588 -1.550 2.285 1.00 0.00 H new ATOM 986 N VAL A 64 1.647 -1.211 -0.366 1.00 0.00 N ATOM 987 CA VAL A 64 0.390 -0.914 -1.067 1.00 0.00 C ATOM 988 C VAL A 64 -0.575 -2.106 -1.006 1.00 0.00 C ATOM 989 O VAL A 64 -1.787 -1.925 -0.872 1.00 0.00 O ATOM 990 CB VAL A 64 0.652 -0.533 -2.537 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.278 -1.711 -3.289 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.668 -0.146 -3.211 1.00 0.00 C ATOM 0 H VAL A 64 2.462 -1.299 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.070 -0.066 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 64 1.341 0.311 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.457 -1.427 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.223 -1.982 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.600 -2.564 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.481 0.123 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.357 -0.990 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.107 0.705 -2.690 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.028 -3.322 -1.102 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.854 -4.529 -1.052 1.00 0.00 C ATOM 1004 C ASP A 65 -1.313 -4.788 0.380 1.00 0.00 C ATOM 1005 O ASP A 65 -0.520 -5.167 1.245 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.076 -5.753 -1.562 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.018 -6.718 -2.289 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.182 -6.781 -1.925 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.558 -7.386 -3.200 1.00 0.00 O ATOM 0 H ASP A 65 0.971 -3.494 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.719 -4.370 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.718 -5.432 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.403 -6.262 -0.726 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.606 -4.572 0.617 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.180 -4.777 1.951 1.00 0.00 C ATOM 1016 C GLU A 66 -3.299 -6.268 2.258 1.00 0.00 C ATOM 1017 O GLU A 66 -2.989 -6.713 3.364 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.571 -4.135 2.056 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.522 -2.689 1.548 1.00 0.00 C ATOM 1020 CD GLU A 66 -3.594 -1.856 2.433 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -4.047 -1.405 3.473 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -2.446 -1.680 2.056 1.00 0.00 O ATOM 0 H GLU A 66 -3.273 -4.258 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.513 -4.305 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.291 -4.710 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.912 -4.154 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.170 -2.669 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.524 -2.259 1.551 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.748 -7.033 1.260 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.906 -8.481 1.425 1.00 0.00 C ATOM 1031 C ASP A 67 -2.557 -9.192 1.292 1.00 0.00 C ATOM 1032 O ASP A 67 -2.279 -10.152 2.013 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.890 -9.061 0.390 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.620 -8.479 -1.002 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.140 -7.412 -1.290 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.903 -9.111 -1.759 1.00 0.00 O ATOM 0 H ASP A 67 -4.006 -6.680 0.339 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.308 -8.650 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.796 -10.146 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.914 -8.838 0.690 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.725 -8.713 0.361 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.410 -9.311 0.136 1.00 0.00 C ATOM 1043 C GLY A 68 -0.551 -10.658 -0.567 1.00 0.00 C ATOM 1044 O GLY A 68 0.052 -11.652 -0.159 1.00 0.00 O ATOM 0 H GLY A 68 -1.939 -7.919 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.203 -8.641 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.104 -9.443 1.088 1.00 0.00 H new ATOM 1048 N SER A 69 -1.362 -10.675 -1.628 1.00 0.00 N ATOM 1049 CA SER A 69 -1.595 -11.903 -2.393 1.00 0.00 C ATOM 1050 C SER A 69 -0.513 -12.127 -3.462 1.00 0.00 C ATOM 1051 O SER A 69 -0.546 -13.129 -4.180 1.00 0.00 O ATOM 1052 CB SER A 69 -2.962 -11.850 -3.081 1.00 0.00 C ATOM 1053 OG SER A 69 -3.002 -10.736 -3.967 1.00 0.00 O ATOM 0 H SER A 69 -1.865 -9.859 -1.975 1.00 0.00 H new ATOM 0 HA SER A 69 -1.561 -12.730 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.140 -12.774 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.753 -11.765 -2.336 1.00 0.00 H new ATOM 0 HG SER A 69 -3.317 -9.944 -3.483 1.00 0.00 H new ATOM 1059 N GLY A 70 0.434 -11.185 -3.577 1.00 0.00 N ATOM 1060 CA GLY A 70 1.495 -11.297 -4.578 1.00 0.00 C ATOM 1061 C GLY A 70 0.991 -10.858 -5.955 1.00 0.00 C ATOM 1062 O GLY A 70 1.579 -11.207 -6.981 1.00 0.00 O ATOM 0 H GLY A 70 0.484 -10.348 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.345 -10.682 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.848 -12.327 -4.626 1.00 0.00 H new ATOM 1066 N THR A 71 -0.104 -10.087 -5.965 1.00 0.00 N ATOM 1067 CA THR A 71 -0.686 -9.598 -7.214 1.00 0.00 C ATOM 1068 C THR A 71 -1.227 -8.184 -7.014 1.00 0.00 C ATOM 1069 O THR A 71 -1.828 -7.878 -5.981 1.00 0.00 O ATOM 1070 CB THR A 71 -1.829 -10.513 -7.685 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.942 -10.392 -6.803 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.353 -11.968 -7.710 1.00 0.00 C ATOM 0 H THR A 71 -0.600 -9.791 -5.124 1.00 0.00 H new ATOM 0 HA THR A 71 0.096 -9.594 -7.973 1.00 0.00 H new ATOM 0 HB THR A 71 -2.131 -10.214 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.652 -10.570 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.167 -12.611 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.510 -12.063 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.043 -12.266 -6.709 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.004 -7.324 -8.007 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.473 -5.941 -7.914 1.00 0.00 C ATOM 1082 C VAL A 72 -2.821 -5.778 -8.606 1.00 0.00 C ATOM 1083 O VAL A 72 -2.954 -6.008 -9.810 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.477 -4.965 -8.551 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.831 -3.535 -8.134 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.943 -5.290 -8.083 1.00 0.00 C ATOM 0 H VAL A 72 -0.511 -7.553 -8.870 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.570 -5.712 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.529 -5.058 -9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.124 -2.839 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.840 -3.297 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.781 -3.450 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.645 -4.593 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.998 -5.202 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.199 -6.308 -8.378 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.808 -5.346 -7.826 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.149 -5.108 -8.355 1.00 0.00 C ATOM 1098 C ASP A 73 -5.225 -3.673 -8.866 1.00 0.00 C ATOM 1099 O ASP A 73 -4.323 -2.879 -8.614 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.203 -5.315 -7.263 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.338 -6.803 -6.951 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.473 -7.327 -6.266 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.305 -7.395 -7.399 1.00 0.00 O ATOM 0 H ASP A 73 -3.706 -5.154 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.346 -5.811 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.920 -4.769 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.162 -4.914 -7.590 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.294 -3.340 -9.592 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.429 -1.978 -10.124 1.00 0.00 C ATOM 1110 C PHE A 74 -6.422 -0.939 -8.997 1.00 0.00 C ATOM 1111 O PHE A 74 -5.866 0.149 -9.158 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.704 -1.822 -10.956 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.561 -0.632 -11.876 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.405 -0.482 -12.652 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.586 0.317 -11.957 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.275 0.615 -13.507 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.453 1.417 -12.812 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.299 1.565 -13.586 1.00 0.00 C ATOM 0 H PHE A 74 -7.060 -3.973 -9.822 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.569 -1.805 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.884 -2.726 -11.538 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.565 -1.688 -10.301 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.614 -1.215 -12.589 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.479 0.201 -11.360 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.384 0.730 -14.107 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.242 2.152 -12.874 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.197 2.414 -14.246 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.025 -1.285 -7.850 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.048 -0.362 -6.709 1.00 0.00 C ATOM 1130 C ASP A 75 -5.628 -0.169 -6.164 1.00 0.00 C ATOM 1131 O ASP A 75 -5.237 0.942 -5.808 1.00 0.00 O ATOM 1132 CB ASP A 75 -7.974 -0.872 -5.589 1.00 0.00 C ATOM 1133 CG ASP A 75 -7.487 -2.219 -5.056 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -7.728 -3.217 -5.713 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -6.885 -2.231 -3.995 1.00 0.00 O ATOM 0 H ASP A 75 -7.493 -2.177 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.438 0.594 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.006 -0.145 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.991 -0.972 -5.968 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.856 -1.264 -6.131 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.468 -1.211 -5.661 1.00 0.00 C ATOM 1142 C GLU A 76 -2.580 -0.546 -6.719 1.00 0.00 C ATOM 1143 O GLU A 76 -1.591 0.113 -6.395 1.00 0.00 O ATOM 1144 CB GLU A 76 -2.934 -2.626 -5.390 1.00 0.00 C ATOM 1145 CG GLU A 76 -3.856 -3.350 -4.400 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.501 -4.841 -4.320 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.356 -5.187 -4.577 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.385 -5.618 -4.000 1.00 0.00 O ATOM 0 H GLU A 76 -5.168 -2.190 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.446 -0.632 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.875 -3.187 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.923 -2.572 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.766 -2.896 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.894 -3.234 -4.711 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.958 -0.733 -7.989 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.220 -0.166 -9.118 1.00 0.00 C ATOM 1157 C PHE A 77 -2.278 1.362 -9.084 1.00 0.00 C ATOM 1158 O PHE A 77 -1.247 2.037 -9.133 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.851 -0.661 -10.428 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.816 -0.968 -11.488 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.469 -1.219 -11.165 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.229 -1.013 -12.823 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.447 -1.506 -12.181 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.313 -1.302 -13.834 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.025 -1.548 -13.515 1.00 0.00 C ATOM 0 H PHE A 77 -3.777 -1.277 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.179 -0.482 -9.054 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.439 -1.557 -10.229 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.539 0.095 -10.805 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.144 -1.190 -10.135 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.262 -0.823 -13.072 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.482 -1.696 -11.936 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.638 -1.336 -14.863 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.734 -1.771 -14.298 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.502 1.894 -9.001 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.706 3.345 -8.961 1.00 0.00 C ATOM 1177 C LEU A 78 -3.173 3.935 -7.653 1.00 0.00 C ATOM 1178 O LEU A 78 -2.631 5.042 -7.641 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.197 3.680 -9.096 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.729 3.799 -10.535 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.003 2.816 -11.461 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.227 3.488 -10.542 1.00 0.00 C ATOM 0 H LEU A 78 -4.361 1.345 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.158 3.781 -9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.771 2.911 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.387 4.621 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.553 4.813 -10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.393 2.915 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.935 3.036 -11.460 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.164 1.797 -11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.611 3.570 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.390 2.475 -10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.749 4.197 -9.899 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.319 3.181 -6.555 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.833 3.642 -5.251 1.00 0.00 C ATOM 1196 C VAL A 79 -1.317 3.859 -5.314 1.00 0.00 C ATOM 1197 O VAL A 79 -0.818 4.921 -4.948 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.172 2.618 -4.151 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.165 2.717 -3.000 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.577 2.898 -3.611 1.00 0.00 C ATOM 0 H VAL A 79 -3.763 2.263 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.325 4.584 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.127 1.617 -4.579 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.418 1.987 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.162 2.515 -3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.197 3.720 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.819 2.174 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.613 3.905 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.301 2.815 -4.421 1.00 0.00 H new ATOM 1210 N MET A 80 -0.600 2.834 -5.789 1.00 0.00 N ATOM 1211 CA MET A 80 0.862 2.903 -5.915 1.00 0.00 C ATOM 1212 C MET A 80 1.312 4.211 -6.586 1.00 0.00 C ATOM 1213 O MET A 80 2.399 4.717 -6.301 1.00 0.00 O ATOM 1214 CB MET A 80 1.378 1.722 -6.744 1.00 0.00 C ATOM 1215 CG MET A 80 2.519 1.030 -5.995 1.00 0.00 C ATOM 1216 SD MET A 80 2.816 -0.602 -6.722 1.00 0.00 S ATOM 1217 CE MET A 80 3.627 -0.039 -8.239 1.00 0.00 C ATOM 0 H MET A 80 -1.006 1.949 -6.092 1.00 0.00 H new ATOM 0 HA MET A 80 1.275 2.866 -4.907 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.570 1.015 -6.930 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.726 2.071 -7.716 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.424 1.635 -6.050 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.267 0.929 -4.939 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.921 -0.086 -9.068 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.968 0.988 -8.110 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.482 -0.680 -8.454 1.00 0.00 H new ATOM 1227 N MET A 81 0.464 4.753 -7.473 1.00 0.00 N ATOM 1228 CA MET A 81 0.783 6.003 -8.169 1.00 0.00 C ATOM 1229 C MET A 81 0.898 7.154 -7.168 1.00 0.00 C ATOM 1230 O MET A 81 1.937 7.809 -7.076 1.00 0.00 O ATOM 1231 CB MET A 81 -0.305 6.335 -9.195 1.00 0.00 C ATOM 1232 CG MET A 81 0.179 7.450 -10.128 1.00 0.00 C ATOM 1233 SD MET A 81 -1.179 8.609 -10.437 1.00 0.00 S ATOM 1234 CE MET A 81 -2.357 7.419 -11.127 1.00 0.00 C ATOM 0 H MET A 81 -0.439 4.348 -7.722 1.00 0.00 H new ATOM 0 HA MET A 81 1.736 5.873 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.553 5.446 -9.775 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.216 6.647 -8.684 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.023 7.973 -9.680 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.530 7.025 -11.068 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.368 7.818 -11.044 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.122 7.241 -12.176 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.291 6.481 -10.576 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.181 7.383 -6.411 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.192 8.451 -5.405 1.00 0.00 C ATOM 1246 C VAL A 82 0.805 8.146 -4.281 1.00 0.00 C ATOM 1247 O VAL A 82 1.362 9.061 -3.671 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.596 8.641 -4.806 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.540 9.190 -5.878 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.140 7.303 -4.292 1.00 0.00 C ATOM 0 H VAL A 82 -1.048 6.850 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 82 0.101 9.373 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.531 9.343 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.535 9.324 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.166 10.149 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.593 8.488 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.134 7.452 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.198 6.593 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.475 6.911 -3.522 1.00 0.00 H new ATOM 1260 N ARG A 83 1.036 6.850 -4.028 1.00 0.00 N ATOM 1261 CA ARG A 83 1.981 6.428 -2.988 1.00 0.00 C ATOM 1262 C ARG A 83 3.385 6.974 -3.278 1.00 0.00 C ATOM 1263 O ARG A 83 4.164 7.223 -2.358 1.00 0.00 O ATOM 1264 CB ARG A 83 2.060 4.898 -2.912 1.00 0.00 C ATOM 1265 CG ARG A 83 0.780 4.341 -2.282 1.00 0.00 C ATOM 1266 CD ARG A 83 1.106 3.063 -1.502 1.00 0.00 C ATOM 1267 NE ARG A 83 0.365 3.024 -0.239 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.758 3.720 0.838 1.00 0.00 C ATOM 1269 NH1 ARG A 83 1.838 4.467 0.801 1.00 0.00 N ATOM 1270 NH2 ARG A 83 0.056 3.653 1.941 1.00 0.00 N ATOM 0 H ARG A 83 0.585 6.082 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 83 1.620 6.824 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.195 4.482 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.926 4.599 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.338 5.082 -1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.044 4.128 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.855 2.190 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.177 3.016 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.476 2.450 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.390 4.523 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.124 4.991 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.783 3.074 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.348 4.179 2.764 1.00 0.00 H new ATOM 1284 N CYS A 84 3.694 7.158 -4.570 1.00 0.00 N ATOM 1285 CA CYS A 84 5.002 7.677 -4.975 1.00 0.00 C ATOM 1286 C CYS A 84 5.046 9.202 -4.836 1.00 0.00 C ATOM 1287 O CYS A 84 6.030 9.758 -4.343 1.00 0.00 O ATOM 1288 CB CYS A 84 5.308 7.298 -6.427 1.00 0.00 C ATOM 1289 SG CYS A 84 5.742 5.543 -6.516 1.00 0.00 S ATOM 0 H CYS A 84 3.060 6.956 -5.344 1.00 0.00 H new ATOM 0 HA CYS A 84 5.752 7.233 -4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.442 7.502 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.129 7.906 -6.807 1.00 0.00 H new ATOM 0 HG CYS A 84 4.662 4.824 -6.438 1.00 0.00 H new ATOM 1295 N MET A 85 3.971 9.870 -5.275 1.00 0.00 N ATOM 1296 CA MET A 85 3.895 11.335 -5.193 1.00 0.00 C ATOM 1297 C MET A 85 3.928 11.788 -3.733 1.00 0.00 C ATOM 1298 O MET A 85 4.835 12.511 -3.316 1.00 0.00 O ATOM 1299 CB MET A 85 2.607 11.850 -5.849 1.00 0.00 C ATOM 1300 CG MET A 85 2.868 12.154 -7.327 1.00 0.00 C ATOM 1301 SD MET A 85 2.412 10.718 -8.329 1.00 0.00 S ATOM 1302 CE MET A 85 3.481 11.080 -9.744 1.00 0.00 C ATOM 0 H MET A 85 3.150 9.425 -5.686 1.00 0.00 H new ATOM 0 HA MET A 85 4.755 11.745 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.816 11.106 -5.755 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.261 12.749 -5.338 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.291 13.025 -7.637 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.920 12.397 -7.479 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.358 10.305 -10.500 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.209 12.047 -10.168 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.521 11.107 -9.417 1.00 0.00 H new ATOM 1312 N LYS A 86 2.935 11.340 -2.961 1.00 0.00 N ATOM 1313 CA LYS A 86 2.857 11.687 -1.542 1.00 0.00 C ATOM 1314 C LYS A 86 3.559 10.615 -0.704 1.00 0.00 C ATOM 1315 O LYS A 86 4.129 9.666 -1.246 1.00 0.00 O ATOM 1316 CB LYS A 86 1.391 11.798 -1.101 1.00 0.00 C ATOM 1317 CG LYS A 86 1.211 13.029 -0.206 1.00 0.00 C ATOM 1318 CD LYS A 86 0.356 12.659 1.010 1.00 0.00 C ATOM 1319 CE LYS A 86 0.926 13.336 2.261 1.00 0.00 C ATOM 1320 NZ LYS A 86 0.133 12.926 3.455 1.00 0.00 N ATOM 0 H LYS A 86 2.179 10.740 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 86 3.349 12.648 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.743 11.874 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.095 10.898 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.183 13.400 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.735 13.833 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.676 12.973 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.343 11.577 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.972 13.058 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.896 14.420 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.520 13.386 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.859 13.212 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.183 11.893 3.567 1.00 0.00 H new ATOM 1334 N ASP A 87 3.512 10.775 0.625 1.00 0.00 N ATOM 1335 CA ASP A 87 4.144 9.816 1.535 1.00 0.00 C ATOM 1336 C ASP A 87 5.649 9.726 1.264 1.00 0.00 C ATOM 1337 O ASP A 87 6.129 8.789 0.620 1.00 0.00 O ATOM 1338 CB ASP A 87 3.506 8.425 1.384 1.00 0.00 C ATOM 1339 CG ASP A 87 3.979 7.510 2.512 1.00 0.00 C ATOM 1340 OD1 ASP A 87 3.684 7.809 3.658 1.00 0.00 O ATOM 1341 OD2 ASP A 87 4.626 6.522 2.211 1.00 0.00 O ATOM 0 H ASP A 87 3.046 11.554 1.090 1.00 0.00 H new ATOM 0 HA ASP A 87 3.989 10.168 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.419 8.510 1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.774 7.995 0.419 1.00 0.00 H new ATOM 1346 N ASP A 88 6.384 10.718 1.768 1.00 0.00 N ATOM 1347 CA ASP A 88 7.838 10.759 1.584 1.00 0.00 C ATOM 1348 C ASP A 88 8.549 11.022 2.917 1.00 0.00 C ATOM 1349 O ASP A 88 9.603 11.663 2.962 1.00 0.00 O ATOM 1350 CB ASP A 88 8.224 11.848 0.576 1.00 0.00 C ATOM 1351 CG ASP A 88 7.464 13.141 0.873 1.00 0.00 C ATOM 1352 OD1 ASP A 88 7.952 13.923 1.674 1.00 0.00 O ATOM 1353 OD2 ASP A 88 6.404 13.330 0.296 1.00 0.00 O ATOM 0 H ASP A 88 6.002 11.498 2.303 1.00 0.00 H new ATOM 0 HA ASP A 88 8.152 9.788 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.298 12.031 0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.001 11.511 -0.436 1.00 0.00 H new ATOM 1358 N SER A 89 7.959 10.516 4.001 1.00 0.00 N ATOM 1359 CA SER A 89 8.532 10.692 5.337 1.00 0.00 C ATOM 1360 C SER A 89 8.001 9.624 6.296 1.00 0.00 C ATOM 1361 O SER A 89 8.812 9.001 6.962 1.00 0.00 O ATOM 1362 CB SER A 89 8.189 12.080 5.888 1.00 0.00 C ATOM 1363 OG SER A 89 9.002 12.349 7.023 1.00 0.00 O ATOM 1364 OXT SER A 89 6.793 9.443 6.352 1.00 0.00 O ATOM 0 H SER A 89 7.089 9.984 3.981 1.00 0.00 H new ATOM 0 HA SER A 89 9.614 10.593 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.351 12.838 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.135 12.125 6.162 1.00 0.00 H new ATOM 0 HG SER A 89 8.786 13.237 7.377 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -2.851 -7.926 -4.090 1.00 0.00 CA