USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 424 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 CYS SG : rot -61:sc= -3.98! USER MOD Single : A 22 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.7!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 25 ASN : amide:sc= 0.136 K(o=0.14,f=-2.3!) USER MOD Single : A 36 SER OG : rot 43:sc= 0.0979 USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -0.0659 (180deg=-0.661) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 150:sc= 0.0257 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.629 F(o=-1.7,f=-0.63) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLY A 7 10.612 -5.143 -0.773 1.00 0.00 N ATOM 56 CA GLY A 7 9.288 -5.578 -1.186 1.00 0.00 C ATOM 57 C GLY A 7 9.291 -7.060 -1.563 1.00 0.00 C ATOM 58 O GLY A 7 8.780 -7.437 -2.617 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.576 -5.406 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.955 -4.983 -2.037 1.00 0.00 H new ATOM 62 N GLY A 8 9.871 -7.861 -0.681 1.00 0.00 N ATOM 63 CA GLY A 8 9.946 -9.295 -0.908 1.00 0.00 C ATOM 64 C GLY A 8 8.668 -9.813 -1.570 1.00 0.00 C ATOM 65 O GLY A 8 8.641 -10.042 -2.779 1.00 0.00 O ATOM 0 H GLY A 8 10.293 -7.545 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.805 -9.522 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.103 -9.809 0.040 1.00 0.00 H new ATOM 69 N GLU A 9 7.642 -9.982 -0.751 1.00 0.00 N ATOM 70 CA GLU A 9 6.364 -10.469 -1.242 1.00 0.00 C ATOM 71 C GLU A 9 5.216 -9.675 -0.615 1.00 0.00 C ATOM 72 O GLU A 9 5.186 -9.475 0.599 1.00 0.00 O ATOM 73 CB GLU A 9 6.206 -11.967 -0.972 1.00 0.00 C ATOM 74 CG GLU A 9 5.756 -12.219 0.469 1.00 0.00 C ATOM 75 CD GLU A 9 6.252 -13.579 0.968 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.456 -13.660 1.292 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.414 -14.505 1.013 1.00 0.00 O ATOM 0 H GLU A 9 7.669 -9.790 0.250 1.00 0.00 H new ATOM 0 HA GLU A 9 6.334 -10.323 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.478 -12.390 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.153 -12.475 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.137 -11.429 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.668 -12.181 0.526 1.00 0.00 H new ATOM 82 N ILE A 10 4.301 -9.243 -1.469 1.00 0.00 N ATOM 83 CA ILE A 10 3.154 -8.476 -1.013 1.00 0.00 C ATOM 84 C ILE A 10 2.232 -9.381 -0.195 1.00 0.00 C ATOM 85 O ILE A 10 1.570 -10.260 -0.746 1.00 0.00 O ATOM 86 CB ILE A 10 2.459 -7.797 -2.196 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.233 -6.557 -2.649 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.001 -7.474 -1.863 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.101 -5.426 -1.628 1.00 0.00 C ATOM 0 H ILE A 10 4.330 -9.409 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 10 3.474 -7.669 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 10 2.451 -8.494 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.285 -6.809 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.859 -6.224 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.530 -6.992 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.469 -8.396 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.964 -6.804 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.660 -4.557 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.050 -5.160 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.498 -5.755 -0.668 1.00 0.00 H new ATOM 100 N ILE A 11 2.219 -9.137 1.107 1.00 0.00 N ATOM 101 CA ILE A 11 1.388 -9.918 2.007 1.00 0.00 C ATOM 102 C ILE A 11 0.219 -9.059 2.492 1.00 0.00 C ATOM 103 O ILE A 11 0.211 -7.846 2.293 1.00 0.00 O ATOM 104 CB ILE A 11 2.232 -10.505 3.141 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.667 -9.415 4.121 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.425 -11.288 2.587 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.550 -9.098 5.118 1.00 0.00 C ATOM 0 H ILE A 11 2.771 -8.409 1.560 1.00 0.00 H new ATOM 0 HA ILE A 11 0.959 -10.773 1.484 1.00 0.00 H new ATOM 0 HB ILE A 11 1.614 -11.210 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.558 -9.739 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.936 -8.513 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.008 -11.695 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.065 -12.104 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.052 -10.623 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.885 -8.320 5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.668 -8.752 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.300 -9.996 5.683 1.00 0.00 H new ATOM 118 N GLU A 12 -0.741 -9.723 3.120 1.00 0.00 N ATOM 119 CA GLU A 12 -1.912 -9.035 3.636 1.00 0.00 C ATOM 120 C GLU A 12 -1.542 -8.207 4.868 1.00 0.00 C ATOM 121 O GLU A 12 -1.009 -8.738 5.840 1.00 0.00 O ATOM 122 CB GLU A 12 -3.032 -10.026 3.958 1.00 0.00 C ATOM 123 CG GLU A 12 -3.464 -10.791 2.705 1.00 0.00 C ATOM 124 CD GLU A 12 -4.368 -11.971 3.069 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.162 -12.526 4.169 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.245 -12.291 2.237 1.00 0.00 O ATOM 0 H GLU A 12 -0.731 -10.730 3.283 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.280 -8.358 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.693 -10.729 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.886 -9.492 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.992 -10.119 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.584 -11.153 2.174 1.00 0.00 H new ATOM 131 N GLY A 13 -1.839 -6.918 4.786 1.00 0.00 N ATOM 132 CA GLY A 13 -1.544 -6.010 5.882 1.00 0.00 C ATOM 133 C GLY A 13 -0.592 -4.900 5.434 1.00 0.00 C ATOM 134 O GLY A 13 -0.640 -3.788 5.956 1.00 0.00 O ATOM 0 H GLY A 13 -2.281 -6.481 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.470 -5.571 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.099 -6.564 6.708 1.00 0.00 H new ATOM 138 N CYS A 14 0.250 -5.240 4.468 1.00 0.00 N ATOM 139 CA CYS A 14 1.211 -4.286 3.944 1.00 0.00 C ATOM 140 C CYS A 14 0.468 -2.992 3.602 1.00 0.00 C ATOM 141 O CYS A 14 -0.614 -3.031 3.019 1.00 0.00 O ATOM 142 CB CYS A 14 1.964 -4.847 2.736 1.00 0.00 C ATOM 143 SG CYS A 14 3.317 -5.945 3.296 1.00 0.00 S ATOM 0 H CYS A 14 0.286 -6.163 4.035 1.00 0.00 H new ATOM 0 HA CYS A 14 1.970 -4.079 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.278 -5.400 2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.371 -4.030 2.139 1.00 0.00 H new ATOM 0 HG CYS A 14 4.154 -5.266 4.023 1.00 0.00 H new ATOM 148 N ARG A 15 1.077 -1.879 3.980 1.00 0.00 N ATOM 149 CA ARG A 15 0.488 -0.577 3.722 1.00 0.00 C ATOM 150 C ARG A 15 1.350 0.211 2.734 1.00 0.00 C ATOM 151 O ARG A 15 2.521 0.478 3.003 1.00 0.00 O ATOM 152 CB ARG A 15 0.339 0.227 5.015 1.00 0.00 C ATOM 153 CG ARG A 15 -1.041 0.014 5.638 1.00 0.00 C ATOM 154 CD ARG A 15 -1.305 1.033 6.749 1.00 0.00 C ATOM 155 NE ARG A 15 -1.174 0.385 8.072 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.012 0.224 8.719 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.128 0.664 8.168 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.011 -0.376 9.917 1.00 0.00 N ATOM 0 H ARG A 15 1.974 -1.852 4.464 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.501 -0.740 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.112 -0.071 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.488 1.287 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.808 0.102 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.109 -0.996 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.601 1.861 6.669 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.305 1.453 6.638 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.022 0.039 8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.111 1.121 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.013 0.542 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.856 -0.710 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.896 -0.498 10.409 1.00 0.00 H new ATOM 169 N LEU A 16 0.739 0.562 1.612 1.00 0.00 N ATOM 170 CA LEU A 16 1.438 1.314 0.583 1.00 0.00 C ATOM 171 C LEU A 16 0.448 2.240 -0.126 1.00 0.00 C ATOM 172 O LEU A 16 -0.750 1.963 -0.161 1.00 0.00 O ATOM 173 CB LEU A 16 2.181 0.367 -0.361 1.00 0.00 C ATOM 174 CG LEU A 16 1.651 -1.067 -0.427 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.121 -1.088 -0.426 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.234 -1.812 -1.629 1.00 0.00 C ATOM 0 H LEU A 16 -0.232 0.340 1.393 1.00 0.00 H new ATOM 0 HA LEU A 16 2.205 1.948 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.152 0.790 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.228 0.333 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 16 1.980 -1.594 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.229 -2.119 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.249 -0.621 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.251 -0.539 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.841 -2.829 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.957 -1.294 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.320 -1.845 -1.545 1.00 0.00 H new ATOM 187 N PRO A 17 1.000 3.347 -0.690 1.00 0.00 N ATOM 188 CA PRO A 17 0.178 4.315 -1.397 1.00 0.00 C ATOM 189 C PRO A 17 -0.238 3.782 -2.769 1.00 0.00 C ATOM 190 O PRO A 17 0.577 3.719 -3.688 1.00 0.00 O ATOM 191 CB PRO A 17 1.032 5.570 -1.480 1.00 0.00 C ATOM 192 CG PRO A 17 2.462 5.117 -1.234 1.00 0.00 C ATOM 193 CD PRO A 17 2.414 3.706 -0.668 1.00 0.00 C ATOM 0 HA PRO A 17 -0.762 4.523 -0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.935 6.045 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.721 6.304 -0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.034 5.137 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.961 5.791 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.007 3.017 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.816 3.671 0.345 1.00 0.00 H new ATOM 198 N VAL A 18 -1.507 3.413 -2.866 1.00 0.00 N ATOM 199 CA VAL A 18 -2.041 2.888 -4.111 1.00 0.00 C ATOM 200 C VAL A 18 -2.575 4.044 -4.959 1.00 0.00 C ATOM 201 O VAL A 18 -3.559 4.685 -4.593 1.00 0.00 O ATOM 202 CB VAL A 18 -3.100 1.822 -3.817 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.868 1.450 -5.087 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.469 0.586 -3.175 1.00 0.00 C ATOM 0 H VAL A 18 -2.181 3.467 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.257 2.398 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.811 2.242 -3.106 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.614 0.691 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.364 2.335 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.174 1.058 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.243 -0.156 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.726 0.164 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.988 0.868 -2.239 1.00 0.00 H new ATOM 214 N LEU A 19 -1.903 4.274 -6.077 1.00 0.00 N ATOM 215 CA LEU A 19 -2.298 5.341 -6.981 1.00 0.00 C ATOM 216 C LEU A 19 -3.822 5.363 -7.102 1.00 0.00 C ATOM 217 O LEU A 19 -4.455 4.315 -7.220 1.00 0.00 O ATOM 218 CB LEU A 19 -1.576 5.201 -8.323 1.00 0.00 C ATOM 219 CG LEU A 19 -1.872 6.287 -9.360 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.076 7.559 -9.064 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.622 5.772 -10.779 1.00 0.00 C ATOM 0 H LEU A 19 -1.088 3.740 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.996 6.309 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.502 5.188 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.836 4.234 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.929 6.545 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.305 8.315 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.346 7.936 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.010 7.335 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.840 6.563 -11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.580 5.469 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.268 4.916 -10.975 1.00 0.00 H new ATOM 232 N ARG A 20 -4.369 6.570 -7.069 1.00 0.00 N ATOM 233 CA ARG A 20 -5.808 6.742 -7.173 1.00 0.00 C ATOM 234 C ARG A 20 -6.135 8.003 -7.976 1.00 0.00 C ATOM 235 O ARG A 20 -5.990 9.117 -7.475 1.00 0.00 O ATOM 236 CB ARG A 20 -6.453 6.847 -5.789 1.00 0.00 C ATOM 237 CG ARG A 20 -7.977 6.930 -5.898 1.00 0.00 C ATOM 238 CD ARG A 20 -8.551 7.884 -4.849 1.00 0.00 C ATOM 239 NE ARG A 20 -9.926 7.473 -4.489 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.837 8.291 -3.946 1.00 0.00 C ATOM 241 NH1 ARG A 20 -10.525 9.570 -3.697 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.061 7.831 -3.653 1.00 0.00 N ATOM 0 H ARG A 20 -3.841 7.438 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.210 5.867 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.175 5.981 -5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.073 7.729 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.256 7.270 -6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.409 5.938 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.919 7.884 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.557 8.903 -5.237 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.197 6.506 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.594 9.921 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.219 10.193 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.299 6.858 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.755 8.454 -3.239 1.00 0.00 H new ATOM 253 N ARG A 21 -6.570 7.784 -9.209 1.00 0.00 N ATOM 254 CA ARG A 21 -6.918 8.889 -10.086 1.00 0.00 C ATOM 255 C ARG A 21 -8.391 9.263 -9.910 1.00 0.00 C ATOM 256 O ARG A 21 -9.267 8.652 -10.520 1.00 0.00 O ATOM 257 CB ARG A 21 -6.662 8.530 -11.551 1.00 0.00 C ATOM 258 CG ARG A 21 -5.177 8.661 -11.896 1.00 0.00 C ATOM 259 CD ARG A 21 -4.980 8.879 -13.398 1.00 0.00 C ATOM 260 NE ARG A 21 -3.570 8.626 -13.766 1.00 0.00 N ATOM 261 CZ ARG A 21 -2.974 9.136 -14.852 1.00 0.00 C ATOM 262 NH1 ARG A 21 -3.661 9.929 -15.684 1.00 0.00 N ATOM 263 NH2 ARG A 21 -1.689 8.851 -15.107 1.00 0.00 N ATOM 0 H ARG A 21 -6.689 6.858 -9.621 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.289 9.738 -9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.995 7.510 -11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.248 9.183 -12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.744 9.495 -11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.647 7.762 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.636 8.214 -13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.257 9.899 -13.665 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.017 8.026 -13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.639 10.145 -15.491 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.206 10.317 -16.511 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.166 8.246 -14.474 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.235 9.239 -15.934 1.00 0.00 H new ATOM 274 N ASN A 22 -8.618 10.264 -9.073 1.00 0.00 N ATOM 275 CA ASN A 22 -9.970 10.727 -8.809 1.00 0.00 C ATOM 276 C ASN A 22 -10.600 11.219 -10.112 1.00 0.00 C ATOM 277 O ASN A 22 -9.944 11.241 -11.153 1.00 0.00 O ATOM 278 CB ASN A 22 -9.970 11.891 -7.814 1.00 0.00 C ATOM 279 CG ASN A 22 -9.126 11.558 -6.581 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.590 10.965 -5.621 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.866 11.973 -6.661 1.00 0.00 N ATOM 0 H ASN A 22 -7.889 10.768 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.535 9.894 -8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.578 12.787 -8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.993 12.114 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.222 11.800 -5.889 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.543 12.464 -7.495 1.00 0.00 H new ATOM 287 N GLN A 23 -11.864 11.603 -10.014 1.00 0.00 N ATOM 288 CA GLN A 23 -12.589 12.094 -11.173 1.00 0.00 C ATOM 289 C GLN A 23 -11.770 13.162 -11.899 1.00 0.00 C ATOM 290 O GLN A 23 -11.639 13.125 -13.122 1.00 0.00 O ATOM 291 CB GLN A 23 -13.963 12.636 -10.771 1.00 0.00 C ATOM 292 CG GLN A 23 -14.952 12.542 -11.934 1.00 0.00 C ATOM 293 CD GLN A 23 -15.051 13.874 -12.679 1.00 0.00 C ATOM 294 OE1 GLN A 23 -14.271 14.179 -13.567 1.00 0.00 O ATOM 295 NE2 GLN A 23 -16.052 14.650 -12.270 1.00 0.00 N ATOM 0 H GLN A 23 -12.405 11.584 -9.149 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.749 11.260 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.344 12.074 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.869 13.674 -10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.635 11.759 -12.623 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -15.935 12.258 -11.558 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -16.669 14.335 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.202 15.560 -12.705 1.00 0.00 H new ATOM 302 N ASP A 24 -11.239 14.089 -11.116 1.00 0.00 N ATOM 303 CA ASP A 24 -10.435 15.166 -11.669 1.00 0.00 C ATOM 304 C ASP A 24 -9.257 14.572 -12.443 1.00 0.00 C ATOM 305 O ASP A 24 -8.671 15.237 -13.296 1.00 0.00 O ATOM 306 CB ASP A 24 -9.871 16.058 -10.561 1.00 0.00 C ATOM 307 CG ASP A 24 -10.833 17.127 -10.038 1.00 0.00 C ATOM 308 OD1 ASP A 24 -12.046 16.978 -10.305 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.336 18.068 -9.384 1.00 0.00 O ATOM 0 H ASP A 24 -11.350 14.117 -10.102 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.073 15.762 -12.322 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.566 15.426 -9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.973 16.550 -10.934 1.00 0.00 H new ATOM 313 N ASN A 25 -8.945 13.325 -12.117 1.00 0.00 N ATOM 314 CA ASN A 25 -7.847 12.634 -12.771 1.00 0.00 C ATOM 315 C ASN A 25 -6.525 13.070 -12.138 1.00 0.00 C ATOM 316 O ASN A 25 -5.523 13.234 -12.832 1.00 0.00 O ATOM 317 CB ASN A 25 -7.792 12.974 -14.262 1.00 0.00 C ATOM 318 CG ASN A 25 -7.151 11.837 -15.060 1.00 0.00 C ATOM 319 OD1 ASN A 25 -5.985 11.877 -15.420 1.00 0.00 O ATOM 320 ND2 ASN A 25 -7.974 10.825 -15.318 1.00 0.00 N ATOM 0 H ASN A 25 -9.433 12.777 -11.409 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.005 11.562 -12.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.800 13.161 -14.633 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.223 13.892 -14.409 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.641 10.019 -15.846 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.938 10.855 -14.987 1.00 0.00 H new ATOM 326 N GLU A 26 -6.565 13.248 -10.824 1.00 0.00 N ATOM 327 CA GLU A 26 -5.382 13.662 -10.089 1.00 0.00 C ATOM 328 C GLU A 26 -4.675 12.444 -9.492 1.00 0.00 C ATOM 329 O GLU A 26 -5.129 11.884 -8.496 1.00 0.00 O ATOM 330 CB GLU A 26 -5.741 14.675 -9.000 1.00 0.00 C ATOM 331 CG GLU A 26 -6.334 15.947 -9.610 1.00 0.00 C ATOM 332 CD GLU A 26 -6.342 17.090 -8.593 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.279 17.299 -7.967 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.407 17.730 -8.465 1.00 0.00 O ATOM 0 H GLU A 26 -7.398 13.113 -10.251 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.699 14.150 -10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.456 14.232 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.851 14.925 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.755 16.239 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.351 15.751 -9.951 1.00 0.00 H new ATOM 339 N ASP A 27 -3.573 12.069 -10.126 1.00 0.00 N ATOM 340 CA ASP A 27 -2.798 10.929 -9.670 1.00 0.00 C ATOM 341 C ASP A 27 -2.466 11.102 -8.187 1.00 0.00 C ATOM 342 O ASP A 27 -1.451 11.706 -7.841 1.00 0.00 O ATOM 343 CB ASP A 27 -1.480 10.815 -10.439 1.00 0.00 C ATOM 344 CG ASP A 27 -1.597 10.197 -11.833 1.00 0.00 C ATOM 345 OD1 ASP A 27 -1.622 8.949 -11.901 1.00 0.00 O ATOM 346 OD2 ASP A 27 -1.657 10.987 -12.801 1.00 0.00 O ATOM 0 H ASP A 27 -3.199 12.536 -10.952 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.392 10.030 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.045 11.810 -10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.784 10.218 -9.850 1.00 0.00 H new ATOM 350 N GLU A 28 -3.340 10.564 -7.350 1.00 0.00 N ATOM 351 CA GLU A 28 -3.153 10.652 -5.912 1.00 0.00 C ATOM 352 C GLU A 28 -2.392 9.428 -5.400 1.00 0.00 C ATOM 353 O GLU A 28 -2.213 8.453 -6.130 1.00 0.00 O ATOM 354 CB GLU A 28 -4.496 10.803 -5.193 1.00 0.00 C ATOM 355 CG GLU A 28 -4.290 11.159 -3.719 1.00 0.00 C ATOM 356 CD GLU A 28 -5.498 11.918 -3.165 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.552 11.875 -3.836 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.340 12.524 -2.083 1.00 0.00 O ATOM 0 H GLU A 28 -4.181 10.065 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.560 11.541 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.088 11.578 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.061 9.874 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.131 10.249 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.392 11.767 -3.610 1.00 0.00 H new ATOM 363 N TRP A 29 -1.964 9.518 -4.149 1.00 0.00 N ATOM 364 CA TRP A 29 -1.225 8.430 -3.532 1.00 0.00 C ATOM 365 C TRP A 29 -1.762 8.241 -2.112 1.00 0.00 C ATOM 366 O TRP A 29 -1.041 8.453 -1.137 1.00 0.00 O ATOM 367 CB TRP A 29 0.281 8.697 -3.570 1.00 0.00 C ATOM 368 CG TRP A 29 0.879 8.684 -4.979 1.00 0.00 C ATOM 369 CD1 TRP A 29 1.142 9.731 -5.773 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.279 7.520 -5.732 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.681 9.329 -6.978 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.767 7.942 -6.952 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.230 6.156 -5.394 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.244 7.063 -7.932 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.711 5.291 -6.384 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.205 5.699 -7.617 1.00 0.00 C ATOM 0 H TRP A 29 -2.115 10.327 -3.547 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.369 7.503 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.480 9.665 -3.111 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.788 7.946 -2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.956 10.760 -5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.964 9.937 -7.746 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.851 5.804 -4.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.622 7.418 -8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.697 4.232 -6.175 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.557 4.968 -8.329 1.00 0.00 H new ATOM 386 N PRO A 30 -3.058 7.832 -2.036 1.00 0.00 N ATOM 387 CA PRO A 30 -3.699 7.612 -0.751 1.00 0.00 C ATOM 388 C PRO A 30 -3.215 6.309 -0.112 1.00 0.00 C ATOM 389 O PRO A 30 -2.962 5.327 -0.809 1.00 0.00 O ATOM 390 CB PRO A 30 -5.189 7.608 -1.051 1.00 0.00 C ATOM 391 CG PRO A 30 -5.313 7.362 -2.546 1.00 0.00 C ATOM 392 CD PRO A 30 -3.942 7.570 -3.167 1.00 0.00 C ATOM 0 HA PRO A 30 -3.454 8.384 -0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.699 6.830 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.646 8.558 -0.772 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.670 6.350 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.039 8.045 -2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.622 6.689 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.947 8.405 -3.867 1.00 0.00 H new ATOM 397 N LEU A 31 -3.100 6.341 1.208 1.00 0.00 N ATOM 398 CA LEU A 31 -2.650 5.175 1.949 1.00 0.00 C ATOM 399 C LEU A 31 -3.622 4.018 1.709 1.00 0.00 C ATOM 400 O LEU A 31 -4.838 4.199 1.776 1.00 0.00 O ATOM 401 CB LEU A 31 -2.457 5.521 3.426 1.00 0.00 C ATOM 402 CG LEU A 31 -1.354 4.752 4.156 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.776 3.306 4.423 1.00 0.00 C ATOM 404 CD2 LEU A 31 -0.032 4.831 3.389 1.00 0.00 C ATOM 0 H LEU A 31 -3.311 7.156 1.783 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.673 4.850 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.242 6.587 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.399 5.347 3.946 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.194 5.224 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.973 2.783 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.674 3.297 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.981 2.806 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.736 4.276 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.161 4.399 2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.272 5.873 3.295 1.00 0.00 H new ATOM 415 N ALA A 32 -3.052 2.854 1.435 1.00 0.00 N ATOM 416 CA ALA A 32 -3.853 1.668 1.186 1.00 0.00 C ATOM 417 C ALA A 32 -3.237 0.477 1.924 1.00 0.00 C ATOM 418 O ALA A 32 -2.016 0.371 2.027 1.00 0.00 O ATOM 419 CB ALA A 32 -3.957 1.430 -0.322 1.00 0.00 C ATOM 0 H ALA A 32 -2.044 2.707 1.380 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.866 1.802 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.558 0.540 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.428 2.292 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.959 1.288 -0.738 1.00 0.00 H new ATOM 425 N GLU A 33 -4.110 -0.389 2.416 1.00 0.00 N ATOM 426 CA GLU A 33 -3.667 -1.568 3.141 1.00 0.00 C ATOM 427 C GLU A 33 -4.090 -2.837 2.398 1.00 0.00 C ATOM 428 O GLU A 33 -5.253 -2.982 2.022 1.00 0.00 O ATOM 429 CB GLU A 33 -4.205 -1.565 4.574 1.00 0.00 C ATOM 430 CG GLU A 33 -3.533 -2.653 5.413 1.00 0.00 C ATOM 431 CD GLU A 33 -4.515 -3.254 6.420 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.479 -3.901 5.956 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.281 -3.053 7.631 1.00 0.00 O ATOM 0 H GLU A 33 -5.122 -0.298 2.327 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.579 -1.549 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.031 -0.590 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.283 -1.724 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.151 -3.437 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.677 -2.233 5.941 1.00 0.00 H new ATOM 438 N ILE A 34 -3.124 -3.724 2.210 1.00 0.00 N ATOM 439 CA ILE A 34 -3.382 -4.976 1.520 1.00 0.00 C ATOM 440 C ILE A 34 -4.369 -5.811 2.339 1.00 0.00 C ATOM 441 O ILE A 34 -4.262 -5.882 3.563 1.00 0.00 O ATOM 442 CB ILE A 34 -2.069 -5.700 1.215 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.096 -4.780 0.476 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.325 -6.999 0.449 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.362 -4.799 -1.031 1.00 0.00 C ATOM 0 H ILE A 34 -2.161 -3.600 2.524 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.848 -4.789 0.553 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.600 -5.972 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.194 -3.762 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.071 -5.095 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.376 -7.494 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.956 -7.656 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.827 -6.774 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.657 -4.137 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.239 -5.814 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.380 -4.460 -1.225 1.00 0.00 H new ATOM 456 N LEU A 35 -5.308 -6.423 1.631 1.00 0.00 N ATOM 457 CA LEU A 35 -6.312 -7.250 2.277 1.00 0.00 C ATOM 458 C LEU A 35 -6.211 -8.679 1.741 1.00 0.00 C ATOM 459 O LEU A 35 -6.235 -9.637 2.512 1.00 0.00 O ATOM 460 CB LEU A 35 -7.702 -6.630 2.116 1.00 0.00 C ATOM 461 CG LEU A 35 -7.821 -5.147 2.474 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.262 -4.660 2.322 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.269 -4.876 3.875 1.00 0.00 C ATOM 0 H LEU A 35 -5.394 -6.362 0.616 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.132 -7.298 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.018 -6.760 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.402 -7.190 2.736 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.213 -4.576 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.318 -3.603 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.585 -4.797 1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.911 -5.232 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.365 -3.815 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.830 -5.458 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.218 -5.162 3.913 1.00 0.00 H new ATOM 474 N SER A 36 -6.099 -8.777 0.425 1.00 0.00 N ATOM 475 CA SER A 36 -5.994 -10.074 -0.223 1.00 0.00 C ATOM 476 C SER A 36 -5.308 -9.926 -1.582 1.00 0.00 C ATOM 477 O SER A 36 -5.470 -8.910 -2.257 1.00 0.00 O ATOM 478 CB SER A 36 -7.371 -10.719 -0.391 1.00 0.00 C ATOM 479 OG SER A 36 -7.335 -12.124 -0.157 1.00 0.00 O ATOM 0 H SER A 36 -6.079 -7.980 -0.211 1.00 0.00 H new ATOM 0 HA SER A 36 -5.393 -10.725 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.075 -10.255 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.740 -10.529 -1.399 1.00 0.00 H new ATOM 0 HG SER A 36 -6.787 -12.310 0.634 1.00 0.00 H new ATOM 484 N VAL A 37 -4.554 -10.954 -1.944 1.00 0.00 N ATOM 485 CA VAL A 37 -3.843 -10.951 -3.211 1.00 0.00 C ATOM 486 C VAL A 37 -4.514 -11.936 -4.171 1.00 0.00 C ATOM 487 O VAL A 37 -5.354 -12.733 -3.759 1.00 0.00 O ATOM 488 CB VAL A 37 -2.362 -11.257 -2.979 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.600 -11.316 -4.305 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.732 -10.236 -2.029 1.00 0.00 C ATOM 0 H VAL A 37 -4.420 -11.794 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.890 -9.965 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.293 -12.238 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.550 -11.535 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.024 -12.099 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.683 -10.356 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.679 -10.477 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.819 -9.238 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.249 -10.265 -1.070 1.00 0.00 H new ATOM 500 N LYS A 38 -4.118 -11.846 -5.432 1.00 0.00 N ATOM 501 CA LYS A 38 -4.671 -12.720 -6.453 1.00 0.00 C ATOM 502 C LYS A 38 -3.721 -12.760 -7.652 1.00 0.00 C ATOM 503 O LYS A 38 -2.641 -12.171 -7.613 1.00 0.00 O ATOM 504 CB LYS A 38 -6.095 -12.290 -6.811 1.00 0.00 C ATOM 505 CG LYS A 38 -6.918 -13.481 -7.305 1.00 0.00 C ATOM 506 CD LYS A 38 -7.335 -13.292 -8.765 1.00 0.00 C ATOM 507 CE LYS A 38 -8.859 -13.287 -8.904 1.00 0.00 C ATOM 508 NZ LYS A 38 -9.432 -14.545 -8.375 1.00 0.00 N ATOM 0 H LYS A 38 -3.421 -11.182 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.755 -13.740 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.576 -11.848 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.064 -11.520 -7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.335 -14.397 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.805 -13.598 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.929 -12.354 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.913 -14.092 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.276 -12.436 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.134 -13.168 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.306 -14.772 -8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.747 -15.318 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.646 -14.431 -7.364 1.00 0.00 H new ATOM 518 N ASP A 39 -4.158 -13.459 -8.689 1.00 0.00 N ATOM 519 CA ASP A 39 -3.360 -13.584 -9.897 1.00 0.00 C ATOM 520 C ASP A 39 -4.247 -14.083 -11.039 1.00 0.00 C ATOM 521 O ASP A 39 -4.850 -15.149 -10.941 1.00 0.00 O ATOM 522 CB ASP A 39 -2.225 -14.592 -9.705 1.00 0.00 C ATOM 523 CG ASP A 39 -1.700 -15.227 -10.994 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.934 -14.534 -11.698 1.00 0.00 O ATOM 525 OD2 ASP A 39 -2.077 -16.392 -11.248 1.00 0.00 O ATOM 0 H ASP A 39 -5.054 -13.945 -8.718 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.938 -12.605 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.398 -14.093 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.571 -15.385 -9.042 1.00 0.00 H new ATOM 529 N ILE A 40 -4.297 -13.286 -12.097 1.00 0.00 N ATOM 530 CA ILE A 40 -5.100 -13.633 -13.257 1.00 0.00 C ATOM 531 C ILE A 40 -4.215 -13.630 -14.504 1.00 0.00 C ATOM 532 O ILE A 40 -4.255 -12.689 -15.297 1.00 0.00 O ATOM 533 CB ILE A 40 -6.316 -12.709 -13.363 1.00 0.00 C ATOM 534 CG1 ILE A 40 -7.133 -12.727 -12.070 1.00 0.00 C ATOM 535 CG2 ILE A 40 -7.168 -13.062 -14.584 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.417 -11.306 -11.581 1.00 0.00 C ATOM 0 H ILE A 40 -3.795 -12.402 -12.175 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.502 -14.641 -13.154 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.958 -11.689 -13.504 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.073 -13.253 -12.237 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.592 -13.279 -11.301 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.025 -12.391 -14.636 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.569 -12.956 -15.489 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.518 -14.091 -14.499 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.999 -11.348 -10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.475 -10.791 -11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.980 -10.765 -12.342 1.00 0.00 H new ATOM 547 N SER A 41 -3.435 -14.692 -14.641 1.00 0.00 N ATOM 548 CA SER A 41 -2.541 -14.823 -15.778 1.00 0.00 C ATOM 549 C SER A 41 -1.393 -13.817 -15.662 1.00 0.00 C ATOM 550 O SER A 41 -1.104 -13.087 -16.609 1.00 0.00 O ATOM 551 CB SER A 41 -3.292 -14.621 -17.095 1.00 0.00 C ATOM 552 OG SER A 41 -2.968 -15.624 -18.055 1.00 0.00 O ATOM 0 H SER A 41 -3.404 -15.470 -13.982 1.00 0.00 H new ATOM 0 HA SER A 41 -2.131 -15.833 -15.775 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.365 -14.634 -16.906 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.052 -13.639 -17.502 1.00 0.00 H new ATOM 0 HG SER A 41 -3.469 -15.460 -18.881 1.00 0.00 H new ATOM 557 N GLY A 42 -0.772 -13.809 -14.491 1.00 0.00 N ATOM 558 CA GLY A 42 0.336 -12.905 -14.238 1.00 0.00 C ATOM 559 C GLY A 42 -0.157 -11.590 -13.631 1.00 0.00 C ATOM 560 O GLY A 42 0.608 -10.876 -12.984 1.00 0.00 O ATOM 0 H GLY A 42 -1.016 -14.415 -13.707 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.048 -13.377 -13.562 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.866 -12.704 -15.169 1.00 0.00 H new ATOM 564 N ARG A 43 -1.431 -11.311 -13.860 1.00 0.00 N ATOM 565 CA ARG A 43 -2.035 -10.095 -13.343 1.00 0.00 C ATOM 566 C ARG A 43 -2.399 -10.269 -11.867 1.00 0.00 C ATOM 567 O ARG A 43 -3.523 -10.650 -11.542 1.00 0.00 O ATOM 568 CB ARG A 43 -3.294 -9.727 -14.131 1.00 0.00 C ATOM 569 CG ARG A 43 -3.502 -8.211 -14.155 1.00 0.00 C ATOM 570 CD ARG A 43 -4.430 -7.767 -13.023 1.00 0.00 C ATOM 571 NE ARG A 43 -5.360 -6.724 -13.510 1.00 0.00 N ATOM 572 CZ ARG A 43 -6.371 -6.955 -14.359 1.00 0.00 C ATOM 573 NH1 ARG A 43 -6.589 -8.195 -14.818 1.00 0.00 N ATOM 574 NH2 ARG A 43 -7.164 -5.948 -14.747 1.00 0.00 N ATOM 0 H ARG A 43 -2.062 -11.906 -14.397 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.306 -9.292 -13.449 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.212 -10.103 -15.151 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.162 -10.210 -13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.540 -7.707 -14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.925 -7.914 -15.115 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.993 -8.621 -12.647 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.842 -7.381 -12.190 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.223 -5.769 -13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.986 -8.962 -14.521 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.358 -8.372 -15.464 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.999 -5.005 -14.396 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.933 -6.124 -15.393 1.00 0.00 H new ATOM 585 N LYS A 44 -1.428 -9.981 -11.013 1.00 0.00 N ATOM 586 CA LYS A 44 -1.632 -10.101 -9.579 1.00 0.00 C ATOM 587 C LYS A 44 -2.541 -8.966 -9.101 1.00 0.00 C ATOM 588 O LYS A 44 -2.260 -7.795 -9.351 1.00 0.00 O ATOM 589 CB LYS A 44 -0.288 -10.161 -8.850 1.00 0.00 C ATOM 590 CG LYS A 44 0.045 -11.596 -8.434 1.00 0.00 C ATOM 591 CD LYS A 44 0.285 -11.687 -6.926 1.00 0.00 C ATOM 592 CE LYS A 44 1.647 -11.104 -6.551 1.00 0.00 C ATOM 593 NZ LYS A 44 2.673 -12.170 -6.505 1.00 0.00 N ATOM 0 H LYS A 44 -0.498 -9.665 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.139 -11.037 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.499 -9.774 -9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.319 -9.521 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.772 -12.259 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.932 -11.937 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.502 -11.151 -6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.231 -12.728 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.936 -10.344 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.583 -10.610 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.592 -11.756 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.403 -12.881 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.745 -12.623 -7.438 1.00 0.00 H new ATOM 603 N LEU A 45 -3.611 -9.353 -8.422 1.00 0.00 N ATOM 604 CA LEU A 45 -4.562 -8.383 -7.907 1.00 0.00 C ATOM 605 C LEU A 45 -4.443 -8.319 -6.383 1.00 0.00 C ATOM 606 O LEU A 45 -4.288 -9.347 -5.725 1.00 0.00 O ATOM 607 CB LEU A 45 -5.974 -8.704 -8.401 1.00 0.00 C ATOM 608 CG LEU A 45 -6.544 -7.759 -9.461 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.426 -7.140 -10.302 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.585 -8.471 -10.327 1.00 0.00 C ATOM 0 H LEU A 45 -3.840 -10.325 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.335 -7.387 -8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.975 -9.716 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.647 -8.704 -7.543 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.054 -6.941 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.858 -6.473 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.754 -6.575 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.867 -7.931 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.974 -7.777 -11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.121 -9.320 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.402 -8.824 -9.698 1.00 0.00 H new ATOM 621 N PHE A 46 -4.521 -7.102 -5.866 1.00 0.00 N ATOM 622 CA PHE A 46 -4.424 -6.890 -4.431 1.00 0.00 C ATOM 623 C PHE A 46 -5.532 -5.956 -3.940 1.00 0.00 C ATOM 624 O PHE A 46 -5.575 -4.786 -4.316 1.00 0.00 O ATOM 625 CB PHE A 46 -3.067 -6.236 -4.167 1.00 0.00 C ATOM 626 CG PHE A 46 -1.896 -6.924 -4.872 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.564 -6.570 -6.142 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.188 -7.890 -4.228 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.477 -7.208 -6.796 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.102 -8.529 -4.882 1.00 0.00 C ATOM 631 CZ PHE A 46 0.231 -8.174 -6.153 1.00 0.00 C ATOM 0 H PHE A 46 -4.650 -6.252 -6.415 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.527 -7.840 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.109 -5.195 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.880 -6.233 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.127 -5.803 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.452 -8.171 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.213 -6.926 -7.804 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.460 -9.297 -4.371 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.057 -8.660 -6.651 1.00 0.00 H new ATOM 640 N TYR A 47 -6.400 -6.509 -3.105 1.00 0.00 N ATOM 641 CA TYR A 47 -7.504 -5.740 -2.557 1.00 0.00 C ATOM 642 C TYR A 47 -7.020 -4.787 -1.462 1.00 0.00 C ATOM 643 O TYR A 47 -6.825 -5.198 -0.319 1.00 0.00 O ATOM 644 CB TYR A 47 -8.463 -6.760 -1.941 1.00 0.00 C ATOM 645 CG TYR A 47 -9.875 -6.221 -1.701 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.536 -5.545 -2.706 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.487 -6.410 -0.478 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.865 -5.038 -2.480 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.815 -5.903 -0.252 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.439 -5.241 -1.264 1.00 0.00 C ATOM 651 OH TYR A 47 -13.694 -4.762 -1.051 1.00 0.00 O ATOM 0 H TYR A 47 -6.361 -7.480 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.975 -5.139 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.523 -7.629 -2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.051 -7.104 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.057 -5.396 -3.662 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.969 -6.938 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.394 -4.509 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.305 -6.045 0.700 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.977 -4.981 -0.139 1.00 0.00 H new ATOM 660 N VAL A 48 -6.839 -3.534 -1.850 1.00 0.00 N ATOM 661 CA VAL A 48 -6.381 -2.519 -0.916 1.00 0.00 C ATOM 662 C VAL A 48 -7.578 -1.695 -0.436 1.00 0.00 C ATOM 663 O VAL A 48 -8.655 -1.758 -1.027 1.00 0.00 O ATOM 664 CB VAL A 48 -5.289 -1.666 -1.563 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.186 -2.545 -2.157 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.877 -0.735 -2.625 1.00 0.00 C ATOM 0 H VAL A 48 -7.001 -3.198 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.933 -2.984 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.843 -1.048 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.422 -1.913 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.737 -3.148 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.613 -3.201 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.079 -0.140 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.362 -1.328 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.609 -0.073 -2.163 1.00 0.00 H new ATOM 676 N HIS A 49 -7.348 -0.942 0.628 1.00 0.00 N ATOM 677 CA HIS A 49 -8.394 -0.106 1.194 1.00 0.00 C ATOM 678 C HIS A 49 -7.856 1.308 1.420 1.00 0.00 C ATOM 679 O HIS A 49 -6.946 1.508 2.222 1.00 0.00 O ATOM 680 CB HIS A 49 -8.963 -0.734 2.467 1.00 0.00 C ATOM 681 CG HIS A 49 -10.072 0.068 3.106 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.314 0.229 2.518 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.112 0.751 4.285 1.00 0.00 C ATOM 684 CE1 HIS A 49 -12.061 0.978 3.317 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.314 1.300 4.411 1.00 0.00 N ATOM 0 H HIS A 49 -6.453 -0.892 1.114 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.225 -0.033 0.492 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.338 -1.730 2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.157 -0.859 3.190 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.303 0.832 4.996 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -13.082 1.280 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.627 1.869 5.197 1.00 0.00 H new ATOM 692 N TYR A 50 -8.440 2.252 0.696 1.00 0.00 N ATOM 693 CA TYR A 50 -8.031 3.641 0.808 1.00 0.00 C ATOM 694 C TYR A 50 -8.437 4.226 2.162 1.00 0.00 C ATOM 695 O TYR A 50 -9.376 5.016 2.246 1.00 0.00 O ATOM 696 CB TYR A 50 -8.774 4.390 -0.301 1.00 0.00 C ATOM 697 CG TYR A 50 -8.328 4.011 -1.714 1.00 0.00 C ATOM 698 CD1 TYR A 50 -6.999 4.120 -2.071 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.255 3.563 -2.633 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.579 3.763 -3.401 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.834 3.206 -3.963 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.517 3.324 -4.282 1.00 0.00 C ATOM 703 OH TYR A 50 -7.121 2.988 -5.539 1.00 0.00 O ATOM 0 H TYR A 50 -9.193 2.082 0.030 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.948 3.730 0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.842 4.196 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.631 5.461 -0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.274 4.473 -1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.295 3.480 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.542 3.842 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.549 2.852 -4.691 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.711 2.290 -5.892 1.00 0.00 H new ATOM 712 N ILE A 51 -7.709 3.815 3.190 1.00 0.00 N ATOM 713 CA ILE A 51 -7.982 4.287 4.538 1.00 0.00 C ATOM 714 C ILE A 51 -8.188 5.803 4.509 1.00 0.00 C ATOM 715 O ILE A 51 -7.224 6.562 4.419 1.00 0.00 O ATOM 716 CB ILE A 51 -6.880 3.834 5.497 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.509 3.885 4.822 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.187 2.448 6.068 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.986 2.475 4.535 1.00 0.00 C ATOM 0 H ILE A 51 -6.930 3.160 3.117 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.904 3.846 4.918 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.850 4.529 6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.579 4.447 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.804 4.415 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.388 2.149 6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.132 2.479 6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.260 1.727 5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.010 2.540 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.894 1.923 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.681 1.956 3.875 1.00 0.00 H new ATOM 844 N GLU A 59 -11.075 -1.754 -2.730 1.00 0.00 N ATOM 845 CA GLU A 59 -11.125 -2.120 -4.135 1.00 0.00 C ATOM 846 C GLU A 59 -9.840 -2.843 -4.541 1.00 0.00 C ATOM 847 O GLU A 59 -8.819 -2.731 -3.864 1.00 0.00 O ATOM 848 CB GLU A 59 -11.364 -0.891 -5.014 1.00 0.00 C ATOM 849 CG GLU A 59 -10.186 0.081 -4.930 1.00 0.00 C ATOM 850 CD GLU A 59 -10.026 0.864 -6.235 1.00 0.00 C ATOM 851 OE1 GLU A 59 -10.939 1.663 -6.533 1.00 0.00 O ATOM 852 OE2 GLU A 59 -8.994 0.645 -6.905 1.00 0.00 O ATOM 0 HA GLU A 59 -11.964 -2.800 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.510 -1.202 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.278 -0.388 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.340 0.774 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.270 -0.470 -4.718 1.00 0.00 H new ATOM 857 N TRP A 60 -9.932 -3.570 -5.646 1.00 0.00 N ATOM 858 CA TRP A 60 -8.789 -4.312 -6.151 1.00 0.00 C ATOM 859 C TRP A 60 -7.874 -3.329 -6.883 1.00 0.00 C ATOM 860 O TRP A 60 -8.335 -2.313 -7.402 1.00 0.00 O ATOM 861 CB TRP A 60 -9.239 -5.480 -7.031 1.00 0.00 C ATOM 862 CG TRP A 60 -10.040 -6.548 -6.285 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.363 -6.593 -6.078 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.512 -7.733 -5.652 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.725 -7.715 -5.361 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.564 -8.430 -5.094 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.189 -8.200 -5.554 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.403 -9.635 -4.398 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.045 -9.405 -4.857 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.094 -10.119 -4.289 1.00 0.00 C ATOM 0 H TRP A 60 -10.780 -3.661 -6.205 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.230 -4.764 -5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.845 -5.092 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.360 -5.945 -7.477 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.059 -5.845 -6.428 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.671 -7.972 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.351 -7.671 -5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.243 -10.162 -3.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.049 -9.809 -4.753 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -8.900 -11.044 -3.766 1.00 0.00 H new ATOM 880 N VAL A 61 -6.592 -3.665 -6.903 1.00 0.00 N ATOM 881 CA VAL A 61 -5.607 -2.825 -7.563 1.00 0.00 C ATOM 882 C VAL A 61 -4.517 -3.708 -8.174 1.00 0.00 C ATOM 883 O VAL A 61 -4.591 -4.933 -8.098 1.00 0.00 O ATOM 884 CB VAL A 61 -5.057 -1.791 -6.578 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.191 -0.988 -5.937 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.186 -2.458 -5.512 1.00 0.00 C ATOM 0 H VAL A 61 -6.213 -4.508 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.067 -2.266 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.429 -1.097 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.773 -0.260 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.752 -0.468 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.856 -1.663 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.808 -1.701 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.781 -3.185 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.348 -2.964 -5.991 1.00 0.00 H new ATOM 896 N THR A 62 -3.532 -3.051 -8.767 1.00 0.00 N ATOM 897 CA THR A 62 -2.429 -3.760 -9.392 1.00 0.00 C ATOM 898 C THR A 62 -1.109 -3.405 -8.703 1.00 0.00 C ATOM 899 O THR A 62 -1.085 -2.592 -7.781 1.00 0.00 O ATOM 900 CB THR A 62 -2.441 -3.433 -10.886 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.308 -2.015 -10.933 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.802 -3.701 -11.533 1.00 0.00 C ATOM 0 H THR A 62 -3.475 -2.034 -8.828 1.00 0.00 H new ATOM 0 HA THR A 62 -2.539 -4.839 -9.281 1.00 0.00 H new ATOM 0 HB THR A 62 -1.676 -4.022 -11.392 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.305 -1.717 -11.867 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.756 -3.452 -12.593 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.059 -4.754 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.562 -3.088 -11.049 1.00 0.00 H new ATOM 910 N HIS A 63 -0.043 -4.033 -9.178 1.00 0.00 N ATOM 911 CA HIS A 63 1.276 -3.794 -8.620 1.00 0.00 C ATOM 912 C HIS A 63 1.791 -2.431 -9.086 1.00 0.00 C ATOM 913 O HIS A 63 2.609 -1.807 -8.410 1.00 0.00 O ATOM 914 CB HIS A 63 2.230 -4.938 -8.970 1.00 0.00 C ATOM 915 CG HIS A 63 3.686 -4.618 -8.731 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.285 -3.839 -7.784 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.705 -5.126 -9.520 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.596 -3.870 -7.984 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.859 -4.667 -9.060 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.067 -4.707 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 63 1.215 -3.769 -7.532 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.960 -5.815 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.094 -5.203 -10.019 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.806 -3.321 -7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.580 -5.785 -10.367 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.334 -3.350 -7.392 1.00 0.00 H new ATOM 926 N GLU A 64 1.291 -2.006 -10.237 1.00 0.00 N ATOM 927 CA GLU A 64 1.690 -0.729 -10.801 1.00 0.00 C ATOM 928 C GLU A 64 1.380 0.404 -9.820 1.00 0.00 C ATOM 929 O GLU A 64 2.136 1.371 -9.724 1.00 0.00 O ATOM 930 CB GLU A 64 1.010 -0.488 -12.150 1.00 0.00 C ATOM 931 CG GLU A 64 1.731 0.605 -12.941 1.00 0.00 C ATOM 932 CD GLU A 64 1.299 0.595 -14.409 1.00 0.00 C ATOM 933 OE1 GLU A 64 0.120 0.928 -14.656 1.00 0.00 O ATOM 934 OE2 GLU A 64 2.159 0.255 -15.251 1.00 0.00 O ATOM 0 H GLU A 64 0.612 -2.525 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 64 2.766 -0.750 -10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.001 -1.413 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.029 -0.201 -11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.516 1.579 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.809 0.456 -12.874 1.00 0.00 H new ATOM 939 N ARG A 65 0.268 0.248 -9.118 1.00 0.00 N ATOM 940 CA ARG A 65 -0.151 1.246 -8.148 1.00 0.00 C ATOM 941 C ARG A 65 0.520 0.988 -6.798 1.00 0.00 C ATOM 942 O ARG A 65 0.654 1.900 -5.983 1.00 0.00 O ATOM 943 CB ARG A 65 -1.670 1.232 -7.966 1.00 0.00 C ATOM 944 CG ARG A 65 -2.384 1.538 -9.284 1.00 0.00 C ATOM 945 CD ARG A 65 -3.532 0.557 -9.526 1.00 0.00 C ATOM 946 NE ARG A 65 -4.798 1.297 -9.722 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.987 0.713 -9.925 1.00 0.00 C ATOM 948 NH1 ARG A 65 -6.079 -0.623 -9.961 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.083 1.465 -10.094 1.00 0.00 N ATOM 0 H ARG A 65 -0.356 -0.554 -9.201 1.00 0.00 H new ATOM 0 HA ARG A 65 0.150 2.223 -8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.986 0.257 -7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.956 1.967 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.770 2.557 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.673 1.482 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.320 -0.055 -10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.626 -0.122 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.764 2.316 -9.701 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.244 -1.195 -9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.984 -1.068 -10.115 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.012 2.482 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.988 1.020 -10.249 1.00 0.00 H new ATOM 960 N LEU A 66 0.925 -0.259 -6.602 1.00 0.00 N ATOM 961 CA LEU A 66 1.579 -0.647 -5.365 1.00 0.00 C ATOM 962 C LEU A 66 2.977 -0.028 -5.315 1.00 0.00 C ATOM 963 O LEU A 66 3.871 -0.445 -6.050 1.00 0.00 O ATOM 964 CB LEU A 66 1.576 -2.169 -5.212 1.00 0.00 C ATOM 965 CG LEU A 66 0.212 -2.814 -4.955 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.276 -4.330 -5.154 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.321 -2.440 -3.571 1.00 0.00 C ATOM 0 H LEU A 66 0.812 -1.013 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 66 1.028 -0.261 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.998 -2.606 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.241 -2.433 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.494 -2.422 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.706 -4.764 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.579 -4.550 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.001 -4.758 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.291 -2.912 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.377 -2.784 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.429 -1.357 -3.503 1.00 0.00 H new ATOM 978 N ASP A 67 3.123 0.958 -4.442 1.00 0.00 N ATOM 979 CA ASP A 67 4.397 1.639 -4.287 1.00 0.00 C ATOM 980 C ASP A 67 5.150 1.040 -3.097 1.00 0.00 C ATOM 981 O ASP A 67 5.192 1.636 -2.022 1.00 0.00 O ATOM 982 CB ASP A 67 4.195 3.130 -4.016 1.00 0.00 C ATOM 983 CG ASP A 67 5.479 3.920 -3.753 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.415 3.310 -3.193 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.495 5.116 -4.119 1.00 0.00 O ATOM 0 H ASP A 67 2.379 1.302 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 67 4.961 1.514 -5.212 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.682 3.573 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.535 3.241 -3.156 1.00 0.00 H new ATOM 989 N LEU A 68 5.724 -0.131 -3.330 1.00 0.00 N ATOM 990 CA LEU A 68 6.473 -0.817 -2.291 1.00 0.00 C ATOM 991 C LEU A 68 7.585 0.100 -1.780 1.00 0.00 C ATOM 992 O LEU A 68 8.127 -0.119 -0.697 1.00 0.00 O ATOM 993 CB LEU A 68 6.976 -2.171 -2.798 1.00 0.00 C ATOM 994 CG LEU A 68 6.043 -2.919 -3.752 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.484 -4.374 -3.921 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.587 -2.811 -3.292 1.00 0.00 C ATOM 0 H LEU A 68 5.686 -0.622 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 68 5.828 -1.041 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.930 -2.016 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.170 -2.810 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 68 6.107 -2.447 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.804 -4.883 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.495 -4.403 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.467 -4.874 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.945 -3.351 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.487 -3.242 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.291 -1.762 -3.265 1.00 0.00 H new ATOM 1007 N LYS A 69 7.892 1.109 -2.581 1.00 0.00 N ATOM 1008 CA LYS A 69 8.930 2.060 -2.224 1.00 0.00 C ATOM 1009 C LYS A 69 8.461 2.896 -1.030 1.00 0.00 C ATOM 1010 O LYS A 69 9.239 3.653 -0.454 1.00 0.00 O ATOM 1011 CB LYS A 69 9.332 2.897 -3.440 1.00 0.00 C ATOM 1012 CG LYS A 69 9.663 2.002 -4.635 1.00 0.00 C ATOM 1013 CD LYS A 69 10.983 2.421 -5.285 1.00 0.00 C ATOM 1014 CE LYS A 69 10.935 2.226 -6.801 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.072 2.917 -7.450 1.00 0.00 N ATOM 0 H LYS A 69 7.439 1.289 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 69 9.834 1.537 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.521 3.576 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.196 3.514 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.727 0.964 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.859 2.057 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.189 3.466 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.801 1.835 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.965 1.162 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.995 2.613 -7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.024 2.774 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.026 3.934 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.966 2.529 -7.088 1.00 0.00 H new ATOM 1025 N LYS A 70 7.190 2.727 -0.695 1.00 0.00 N ATOM 1026 CA LYS A 70 6.608 3.456 0.419 1.00 0.00 C ATOM 1027 C LYS A 70 5.773 2.497 1.270 1.00 0.00 C ATOM 1028 O LYS A 70 4.925 2.930 2.050 1.00 0.00 O ATOM 1029 CB LYS A 70 5.826 4.671 -0.085 1.00 0.00 C ATOM 1030 CG LYS A 70 6.747 5.653 -0.811 1.00 0.00 C ATOM 1031 CD LYS A 70 6.460 7.093 -0.381 1.00 0.00 C ATOM 1032 CE LYS A 70 7.471 8.061 -1.000 1.00 0.00 C ATOM 1033 NZ LYS A 70 7.976 9.006 0.021 1.00 0.00 N ATOM 0 H LYS A 70 6.548 2.097 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 70 7.391 3.855 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.034 4.344 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.344 5.172 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.787 5.407 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.610 5.557 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.451 7.373 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.499 7.167 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.302 7.502 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.003 8.613 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.661 9.656 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.182 9.552 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.441 8.476 0.785 1.00 0.00 H new ATOM 1043 N ILE A 71 6.042 1.212 1.092 1.00 0.00 N ATOM 1044 CA ILE A 71 5.326 0.189 1.833 1.00 0.00 C ATOM 1045 C ILE A 71 5.547 0.401 3.333 1.00 0.00 C ATOM 1046 O ILE A 71 6.395 1.199 3.732 1.00 0.00 O ATOM 1047 CB ILE A 71 5.727 -1.206 1.345 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.493 -2.026 0.959 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.591 -1.924 2.384 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.881 -3.461 0.599 1.00 0.00 C ATOM 0 H ILE A 71 6.746 0.856 0.445 1.00 0.00 H new ATOM 0 HA ILE A 71 4.254 0.270 1.653 1.00 0.00 H new ATOM 0 HB ILE A 71 6.334 -1.093 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.783 -2.034 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.991 -1.558 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.862 -2.912 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.496 -1.345 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.032 -2.027 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.987 -4.023 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.572 -3.451 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.361 -3.934 1.456 1.00 0.00 H new ATOM 1061 N GLN A 72 4.770 -0.326 4.122 1.00 0.00 N ATOM 1062 CA GLN A 72 4.871 -0.226 5.568 1.00 0.00 C ATOM 1063 C GLN A 72 4.371 -1.514 6.225 1.00 0.00 C ATOM 1064 O GLN A 72 3.398 -1.494 6.979 1.00 0.00 O ATOM 1065 CB GLN A 72 4.102 0.989 6.089 1.00 0.00 C ATOM 1066 CG GLN A 72 4.996 2.231 6.121 1.00 0.00 C ATOM 1067 CD GLN A 72 4.521 3.220 7.189 1.00 0.00 C ATOM 1068 OE1 GLN A 72 4.978 3.219 8.320 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.581 4.061 6.767 1.00 0.00 N ATOM 0 H GLN A 72 4.068 -0.986 3.788 1.00 0.00 H new ATOM 0 HA GLN A 72 5.920 -0.090 5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.236 1.176 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.724 0.783 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.026 1.937 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.989 2.714 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.243 4.007 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.198 4.760 7.404 1.00 0.00 H new ATOM 1076 N PHE A 73 5.057 -2.604 5.916 1.00 0.00 N ATOM 1077 CA PHE A 73 4.695 -3.899 6.467 1.00 0.00 C ATOM 1078 C PHE A 73 4.207 -3.763 7.910 1.00 0.00 C ATOM 1079 O PHE A 73 4.593 -2.832 8.614 1.00 0.00 O ATOM 1080 CB PHE A 73 5.957 -4.763 6.446 1.00 0.00 C ATOM 1081 CG PHE A 73 6.232 -5.431 5.097 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.827 -4.726 4.098 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.882 -6.730 4.897 1.00 0.00 C ATOM 1084 CE1 PHE A 73 7.082 -5.345 2.846 1.00 0.00 C ATOM 1085 CE2 PHE A 73 6.138 -7.349 3.645 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.732 -6.644 2.646 1.00 0.00 C ATOM 0 H PHE A 73 5.863 -2.617 5.290 1.00 0.00 H new ATOM 0 HA PHE A 73 3.890 -4.342 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.813 -4.144 6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.869 -5.535 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.106 -3.695 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.410 -7.290 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.554 -4.784 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.861 -8.381 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.926 -7.115 1.694 1.00 0.00 H new ATOM 1095 N PRO A 74 3.344 -4.732 8.319 1.00 0.00 N ATOM 1096 CA PRO A 74 2.800 -4.730 9.666 1.00 0.00 C ATOM 1097 C PRO A 74 3.848 -5.188 10.682 1.00 0.00 C ATOM 1098 O PRO A 74 4.776 -5.917 10.336 1.00 0.00 O ATOM 1099 CB PRO A 74 1.592 -5.650 9.604 1.00 0.00 C ATOM 1100 CG PRO A 74 1.774 -6.494 8.353 1.00 0.00 C ATOM 1101 CD PRO A 74 2.865 -5.850 7.512 1.00 0.00 C ATOM 0 HA PRO A 74 2.509 -3.734 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.533 -6.278 10.493 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.666 -5.076 9.557 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.049 -7.515 8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.842 -6.550 7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.668 -6.556 7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.476 -5.508 6.553 1.00 0.00 H new