USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 809 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 83 HIS : no HD1:sc= -21.8! C(o=-27!,f=-30!) USER MOD Set 1.2: A 98 GLN : amide:sc= -5.58! C(o=-27!,f=-27!) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.434 K(o=0.9,f=-0.68) USER MOD Set 2.2: A 59 TYR OH : rot -170:sc= 0.47 USER MOD Set 3.1: A 18 GLN : amide:sc= -0.195 K(o=-1.3,f=-4!) USER MOD Set 3.2: A 95 TYR OH : rot 17:sc= -1.06 USER MOD Single : A 9 GLN : amide:sc= -0.0798 K(o=-0.08,f=-6.7!) USER MOD Single : A 10 MET CE :methyl -131:sc= -5.8! (180deg=-11.2!) USER MOD Single : A 13 MET CE :methyl -125:sc= -3.26 (180deg=-4.78!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.367 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc=0.000695 (180deg=0) USER MOD Single : A 20 MET CE :methyl -146:sc= -3.08! (180deg=-5.05!) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.0749 (180deg=0.0447) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.56 K(o=-0.56,f=-4.1!) USER MOD Single : A 36 TYR OH : rot 175:sc= 0.256 USER MOD Single : A 37 CYS SG : rot 115:sc= -6.55! USER MOD Single : A 43 SER OG : rot 180:sc= -0.253 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.312 F(o=-2.3,f=-0.31) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.046) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.0975 (180deg=-1.35) USER MOD Single : A 90 GLN :FLIP amide:sc= -1.23 F(o=-2.9!,f=-1.2) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 169:sc= -7.85! (180deg=-9.32!) USER MOD Single : A 106 SER OG : rot 103:sc= 0.205 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.245 -13.963 1.021 1.00 0.00 N ATOM 67 CA GLU A 8 -5.594 -12.805 1.826 1.00 0.00 C ATOM 68 C GLU A 8 -5.537 -11.533 0.977 1.00 0.00 C ATOM 69 O GLU A 8 -4.454 -11.039 0.664 1.00 0.00 O ATOM 70 CB GLU A 8 -4.679 -12.690 3.047 1.00 0.00 C ATOM 71 CG GLU A 8 -5.357 -13.259 4.295 1.00 0.00 C ATOM 72 CD GLU A 8 -6.370 -12.266 4.870 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.962 -11.106 5.094 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.528 -12.690 5.072 1.00 0.00 O ATOM 0 HA GLU A 8 -6.614 -12.932 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.747 -13.224 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.419 -11.645 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.860 -14.194 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.604 -13.493 5.048 1.00 0.00 H new ATOM 81 N GLN A 9 -6.716 -11.039 0.629 1.00 0.00 N ATOM 82 CA GLN A 9 -6.814 -9.834 -0.178 1.00 0.00 C ATOM 83 C GLN A 9 -7.077 -8.619 0.714 1.00 0.00 C ATOM 84 O GLN A 9 -7.778 -8.722 1.719 1.00 0.00 O ATOM 85 CB GLN A 9 -7.900 -9.976 -1.246 1.00 0.00 C ATOM 86 CG GLN A 9 -7.717 -11.268 -2.046 1.00 0.00 C ATOM 87 CD GLN A 9 -8.627 -12.376 -1.513 1.00 0.00 C ATOM 88 OE1 GLN A 9 -8.574 -12.755 -0.354 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.462 -12.874 -2.420 1.00 0.00 N ATOM 0 H GLN A 9 -7.612 -11.451 0.891 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.864 -9.685 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.882 -9.973 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.867 -9.119 -1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.940 -11.084 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.677 -11.589 -1.992 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.455 -12.511 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.110 -13.619 -2.162 1.00 0.00 H new ATOM 98 N MET A 10 -6.501 -7.495 0.313 1.00 0.00 N ATOM 99 CA MET A 10 -6.665 -6.261 1.063 1.00 0.00 C ATOM 100 C MET A 10 -6.759 -5.057 0.124 1.00 0.00 C ATOM 101 O MET A 10 -5.904 -4.872 -0.742 1.00 0.00 O ATOM 102 CB MET A 10 -5.479 -6.079 2.011 1.00 0.00 C ATOM 103 CG MET A 10 -5.604 -4.775 2.802 1.00 0.00 C ATOM 104 SD MET A 10 -5.038 -5.020 4.477 1.00 0.00 S ATOM 105 CE MET A 10 -5.391 -3.410 5.162 1.00 0.00 C ATOM 0 H MET A 10 -5.920 -7.413 -0.521 1.00 0.00 H new ATOM 0 HA MET A 10 -7.591 -6.325 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.426 -6.922 2.699 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.550 -6.075 1.441 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.018 -3.991 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.641 -4.440 2.805 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.514 -3.041 5.694 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.644 -2.720 4.357 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.230 -3.485 5.853 1.00 0.00 H new ATOM 115 N GLU A 11 -7.804 -4.268 0.326 1.00 0.00 N ATOM 116 CA GLU A 11 -8.020 -3.087 -0.492 1.00 0.00 C ATOM 117 C GLU A 11 -8.567 -1.942 0.364 1.00 0.00 C ATOM 118 O GLU A 11 -9.591 -2.094 1.028 1.00 0.00 O ATOM 119 CB GLU A 11 -8.957 -3.394 -1.661 1.00 0.00 C ATOM 120 CG GLU A 11 -10.244 -4.062 -1.173 1.00 0.00 C ATOM 121 CD GLU A 11 -11.239 -4.241 -2.321 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.088 -5.245 -3.050 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.127 -3.370 -2.444 1.00 0.00 O ATOM 0 H GLU A 11 -8.511 -4.424 1.045 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.062 -2.777 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.200 -2.472 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.453 -4.046 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.011 -5.032 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.696 -3.458 -0.386 1.00 0.00 H new ATOM 130 N GLY A 12 -7.860 -0.822 0.319 1.00 0.00 N ATOM 131 CA GLY A 12 -8.262 0.347 1.081 1.00 0.00 C ATOM 132 C GLY A 12 -7.450 1.577 0.668 1.00 0.00 C ATOM 133 O GLY A 12 -6.371 1.447 0.093 1.00 0.00 O ATOM 0 H GLY A 12 -7.011 -0.700 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.324 0.539 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.124 0.157 2.145 1.00 0.00 H new ATOM 137 N MET A 13 -8.001 2.741 0.977 1.00 0.00 N ATOM 138 CA MET A 13 -7.341 3.993 0.646 1.00 0.00 C ATOM 139 C MET A 13 -5.957 4.071 1.291 1.00 0.00 C ATOM 140 O MET A 13 -5.826 3.933 2.507 1.00 0.00 O ATOM 141 CB MET A 13 -8.197 5.165 1.129 1.00 0.00 C ATOM 142 CG MET A 13 -9.089 5.694 0.004 1.00 0.00 C ATOM 143 SD MET A 13 -8.236 6.977 -0.898 1.00 0.00 S ATOM 144 CE MET A 13 -7.837 6.090 -2.395 1.00 0.00 C ATOM 0 H MET A 13 -8.897 2.844 1.453 1.00 0.00 H new ATOM 0 HA MET A 13 -7.219 4.042 -0.436 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.815 4.847 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.552 5.965 1.493 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.358 4.881 -0.671 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.018 6.085 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.763 6.145 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.135 5.047 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.369 6.536 -3.235 1.00 0.00 H new ATOM 154 N LEU A 14 -4.958 4.291 0.449 1.00 0.00 N ATOM 155 CA LEU A 14 -3.587 4.389 0.923 1.00 0.00 C ATOM 156 C LEU A 14 -2.830 5.409 0.071 1.00 0.00 C ATOM 157 O LEU A 14 -3.190 5.652 -1.080 1.00 0.00 O ATOM 158 CB LEU A 14 -2.932 3.007 0.955 1.00 0.00 C ATOM 159 CG LEU A 14 -2.611 2.449 2.344 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.871 2.378 3.210 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.909 1.093 2.241 1.00 0.00 C ATOM 0 H LEU A 14 -5.070 4.404 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.563 4.751 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.590 2.303 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.007 3.052 0.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.920 3.133 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.616 1.978 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.291 3.377 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.604 1.728 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.692 0.719 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.557 0.387 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.978 1.207 1.686 1.00 0.00 H new ATOM 173 N CYS A 15 -1.794 5.979 0.669 1.00 0.00 N ATOM 174 CA CYS A 15 -0.982 6.967 -0.020 1.00 0.00 C ATOM 175 C CYS A 15 0.253 6.264 -0.587 1.00 0.00 C ATOM 176 O CYS A 15 1.235 6.058 0.125 1.00 0.00 O ATOM 177 CB CYS A 15 -0.605 8.131 0.899 1.00 0.00 C ATOM 178 SG CYS A 15 -0.736 9.714 -0.009 1.00 0.00 S ATOM 0 H CYS A 15 -1.498 5.775 1.624 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.555 7.406 -0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.262 8.146 1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.411 7.998 1.270 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.415 10.695 0.781 1.00 0.00 H new ATOM 184 N ARG A 16 0.163 5.916 -1.862 1.00 0.00 N ATOM 185 CA ARG A 16 1.261 5.240 -2.532 1.00 0.00 C ATOM 186 C ARG A 16 2.242 6.264 -3.107 1.00 0.00 C ATOM 187 O ARG A 16 1.868 7.087 -3.941 1.00 0.00 O ATOM 188 CB ARG A 16 0.749 4.344 -3.661 1.00 0.00 C ATOM 189 CG ARG A 16 1.905 3.611 -4.346 1.00 0.00 C ATOM 190 CD ARG A 16 1.687 3.536 -5.859 1.00 0.00 C ATOM 191 NE ARG A 16 2.117 4.801 -6.495 1.00 0.00 N ATOM 192 CZ ARG A 16 1.759 5.181 -7.729 1.00 0.00 C ATOM 193 NH1 ARG A 16 0.962 4.396 -8.467 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.197 6.347 -8.225 1.00 0.00 N ATOM 0 H ARG A 16 -0.653 6.089 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 16 1.769 4.620 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.040 3.619 -3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.211 4.947 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.842 4.126 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.995 2.604 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.250 2.700 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.635 3.350 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 16 2.724 5.423 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.628 3.509 -8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.689 4.685 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.803 6.945 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.924 6.636 -9.164 1.00 0.00 H new ATOM 208 N LYS A 17 3.479 6.179 -2.640 1.00 0.00 N ATOM 209 CA LYS A 17 4.516 7.087 -3.097 1.00 0.00 C ATOM 210 C LYS A 17 5.699 6.277 -3.631 1.00 0.00 C ATOM 211 O LYS A 17 6.539 5.815 -2.859 1.00 0.00 O ATOM 212 CB LYS A 17 4.895 8.071 -1.988 1.00 0.00 C ATOM 213 CG LYS A 17 5.932 9.081 -2.482 1.00 0.00 C ATOM 214 CD LYS A 17 7.008 9.325 -1.421 1.00 0.00 C ATOM 215 CE LYS A 17 8.151 10.173 -1.984 1.00 0.00 C ATOM 216 NZ LYS A 17 8.609 11.158 -0.980 1.00 0.00 N ATOM 0 H LYS A 17 3.786 5.494 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 17 4.150 7.698 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.005 8.597 -1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.293 7.525 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.396 8.714 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.440 10.022 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.567 9.828 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.398 8.371 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.981 9.529 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.819 10.690 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.047 11.968 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.796 11.487 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.306 10.713 -0.350 1.00 0.00 H new ATOM 230 N GLN A 18 5.728 6.128 -4.947 1.00 0.00 N ATOM 231 CA GLN A 18 6.794 5.381 -5.593 1.00 0.00 C ATOM 232 C GLN A 18 8.151 6.010 -5.273 1.00 0.00 C ATOM 233 O GLN A 18 8.466 7.095 -5.759 1.00 0.00 O ATOM 234 CB GLN A 18 6.569 5.299 -7.104 1.00 0.00 C ATOM 235 CG GLN A 18 7.528 4.296 -7.748 1.00 0.00 C ATOM 236 CD GLN A 18 6.867 3.591 -8.934 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.666 3.653 -9.136 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.718 2.919 -9.705 1.00 0.00 N ATOM 0 H GLN A 18 5.030 6.512 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 18 6.786 4.363 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.539 5.004 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.713 6.283 -7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.429 4.811 -8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.839 3.558 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.712 2.909 -9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.376 2.414 -10.523 1.00 0.00 H new ATOM 247 N GLU A 19 8.919 5.301 -4.459 1.00 0.00 N ATOM 248 CA GLU A 19 10.236 5.776 -4.069 1.00 0.00 C ATOM 249 C GLU A 19 11.279 5.363 -5.109 1.00 0.00 C ATOM 250 O GLU A 19 12.081 6.184 -5.550 1.00 0.00 O ATOM 251 CB GLU A 19 10.615 5.263 -2.679 1.00 0.00 C ATOM 252 CG GLU A 19 9.949 6.101 -1.585 1.00 0.00 C ATOM 253 CD GLU A 19 10.996 6.737 -0.668 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.852 5.974 -0.169 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.917 7.971 -0.487 1.00 0.00 O ATOM 0 H GLU A 19 8.655 4.401 -4.059 1.00 0.00 H new ATOM 0 HA GLU A 19 10.209 6.865 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.314 4.220 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.698 5.295 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.338 6.880 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.279 5.473 -0.998 1.00 0.00 H new ATOM 262 N MET A 20 11.234 4.089 -5.471 1.00 0.00 N ATOM 263 CA MET A 20 12.165 3.556 -6.451 1.00 0.00 C ATOM 264 C MET A 20 11.428 2.770 -7.537 1.00 0.00 C ATOM 265 O MET A 20 10.388 2.168 -7.275 1.00 0.00 O ATOM 266 CB MET A 20 13.174 2.642 -5.753 1.00 0.00 C ATOM 267 CG MET A 20 14.009 3.422 -4.736 1.00 0.00 C ATOM 268 SD MET A 20 15.295 4.333 -5.572 1.00 0.00 S ATOM 269 CE MET A 20 16.360 2.988 -6.063 1.00 0.00 C ATOM 0 H MET A 20 10.567 3.410 -5.103 1.00 0.00 H new ATOM 0 HA MET A 20 12.684 4.390 -6.923 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.648 1.830 -5.251 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.830 2.186 -6.494 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.371 4.107 -4.178 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.450 2.736 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.399 3.317 -6.032 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.224 2.149 -5.381 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.108 2.676 -7.077 1.00 0.00 H new ATOM 279 N GLU A 21 11.996 2.800 -8.734 1.00 0.00 N ATOM 280 CA GLU A 21 11.406 2.097 -9.860 1.00 0.00 C ATOM 281 C GLU A 21 12.223 0.847 -10.193 1.00 0.00 C ATOM 282 O GLU A 21 11.780 0.000 -10.968 1.00 0.00 O ATOM 283 CB GLU A 21 11.289 3.015 -11.079 1.00 0.00 C ATOM 284 CG GLU A 21 11.096 2.203 -12.361 1.00 0.00 C ATOM 285 CD GLU A 21 10.463 3.057 -13.461 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.437 3.703 -13.159 1.00 0.00 O ATOM 287 OE2 GLU A 21 11.020 3.044 -14.580 1.00 0.00 O ATOM 0 H GLU A 21 12.859 3.300 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 21 10.399 1.786 -9.581 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.449 3.696 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.186 3.628 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.058 1.820 -12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.463 1.339 -12.157 1.00 0.00 H new ATOM 294 N ALA A 22 13.400 0.770 -9.590 1.00 0.00 N ATOM 295 CA ALA A 22 14.282 -0.363 -9.812 1.00 0.00 C ATOM 296 C ALA A 22 15.590 -0.142 -9.049 1.00 0.00 C ATOM 297 O ALA A 22 15.933 0.990 -8.712 1.00 0.00 O ATOM 298 CB ALA A 22 14.507 -0.548 -11.314 1.00 0.00 C ATOM 0 H ALA A 22 13.764 1.474 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 22 13.831 -1.281 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.169 -1.398 -11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.551 -0.730 -11.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.962 0.352 -11.727 1.00 0.00 H new ATOM 304 N PHE A 23 16.286 -1.242 -8.801 1.00 0.00 N ATOM 305 CA PHE A 23 17.549 -1.183 -8.084 1.00 0.00 C ATOM 306 C PHE A 23 18.371 0.031 -8.523 1.00 0.00 C ATOM 307 O PHE A 23 18.890 0.064 -9.637 1.00 0.00 O ATOM 308 CB PHE A 23 18.320 -2.458 -8.431 1.00 0.00 C ATOM 309 CG PHE A 23 17.598 -3.748 -8.034 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.311 -3.993 -6.728 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.245 -4.650 -8.989 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.642 -5.190 -6.360 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.576 -5.848 -8.621 1.00 0.00 C ATOM 314 CZ PHE A 23 16.288 -6.092 -7.314 1.00 0.00 C ATOM 0 H PHE A 23 15.999 -2.179 -9.084 1.00 0.00 H new ATOM 0 HA PHE A 23 17.366 -1.097 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.510 -2.475 -9.504 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.291 -2.430 -7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.592 -3.277 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.473 -4.456 -10.027 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.414 -5.384 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.296 -6.565 -9.379 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.778 -7.002 -7.034 1.00 0.00 H new ATOM 324 N GLY A 24 18.465 0.998 -7.622 1.00 0.00 N ATOM 325 CA GLY A 24 19.215 2.211 -7.902 1.00 0.00 C ATOM 326 C GLY A 24 18.338 3.249 -8.603 1.00 0.00 C ATOM 327 O GLY A 24 18.434 4.442 -8.320 1.00 0.00 O ATOM 0 H GLY A 24 18.034 0.966 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.602 2.626 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.075 1.974 -8.528 1.00 0.00 H new ATOM 331 N LYS A 25 17.502 2.758 -9.506 1.00 0.00 N ATOM 332 CA LYS A 25 16.608 3.628 -10.250 1.00 0.00 C ATOM 333 C LYS A 25 15.559 4.209 -9.299 1.00 0.00 C ATOM 334 O LYS A 25 14.877 3.467 -8.594 1.00 0.00 O ATOM 335 CB LYS A 25 16.009 2.885 -11.446 1.00 0.00 C ATOM 336 CG LYS A 25 15.991 3.774 -12.691 1.00 0.00 C ATOM 337 CD LYS A 25 14.557 4.097 -13.114 1.00 0.00 C ATOM 338 CE LYS A 25 14.029 5.325 -12.371 1.00 0.00 C ATOM 339 NZ LYS A 25 14.204 6.543 -13.194 1.00 0.00 N ATOM 0 H LYS A 25 17.425 1.768 -9.739 1.00 0.00 H new ATOM 0 HA LYS A 25 17.159 4.470 -10.670 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.589 1.984 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.994 2.565 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.531 4.699 -12.489 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.511 3.273 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.523 4.275 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.913 3.241 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.974 5.188 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.557 5.440 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.050 7.386 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.168 6.564 -13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.516 6.536 -13.974 1.00 0.00 H new ATOM 353 N LYS A 26 15.463 5.530 -9.311 1.00 0.00 N ATOM 354 CA LYS A 26 14.509 6.219 -8.458 1.00 0.00 C ATOM 355 C LYS A 26 13.341 6.721 -9.309 1.00 0.00 C ATOM 356 O LYS A 26 13.542 7.206 -10.422 1.00 0.00 O ATOM 357 CB LYS A 26 15.205 7.320 -7.657 1.00 0.00 C ATOM 358 CG LYS A 26 15.685 8.446 -8.575 1.00 0.00 C ATOM 359 CD LYS A 26 17.207 8.414 -8.731 1.00 0.00 C ATOM 360 CE LYS A 26 17.841 9.697 -8.187 1.00 0.00 C ATOM 361 NZ LYS A 26 19.232 9.443 -7.752 1.00 0.00 N ATOM 0 H LYS A 26 16.030 6.142 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 26 14.094 5.534 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.519 7.721 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.053 6.900 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.213 8.349 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.378 9.409 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.612 7.551 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.466 8.294 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.829 10.470 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.254 10.073 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.647 10.323 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.235 8.721 -7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.793 9.106 -8.561 1.00 0.00 H new ATOM 375 N ALA A 27 12.145 6.589 -8.754 1.00 0.00 N ATOM 376 CA ALA A 27 10.945 7.023 -9.448 1.00 0.00 C ATOM 377 C ALA A 27 11.082 8.502 -9.816 1.00 0.00 C ATOM 378 O ALA A 27 11.521 9.311 -9.000 1.00 0.00 O ATOM 379 CB ALA A 27 9.721 6.751 -8.571 1.00 0.00 C ATOM 0 H ALA A 27 11.982 6.187 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 27 10.813 6.463 -10.374 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.821 7.077 -9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.653 5.683 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.816 7.299 -7.634 1.00 0.00 H new ATOM 385 N ALA A 28 10.697 8.811 -11.046 1.00 0.00 N ATOM 386 CA ALA A 28 10.770 10.178 -11.532 1.00 0.00 C ATOM 387 C ALA A 28 9.902 11.076 -10.649 1.00 0.00 C ATOM 388 O ALA A 28 10.418 11.931 -9.930 1.00 0.00 O ATOM 389 CB ALA A 28 10.347 10.221 -13.002 1.00 0.00 C ATOM 0 H ALA A 28 10.334 8.138 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 28 11.793 10.551 -11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.402 11.247 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.013 9.591 -13.591 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.324 9.856 -13.097 1.00 0.00 H new ATOM 395 N ASN A 29 8.599 10.852 -10.731 1.00 0.00 N ATOM 396 CA ASN A 29 7.655 11.630 -9.948 1.00 0.00 C ATOM 397 C ASN A 29 8.042 11.558 -8.470 1.00 0.00 C ATOM 398 O ASN A 29 8.437 12.561 -7.878 1.00 0.00 O ATOM 399 CB ASN A 29 6.235 11.080 -10.092 1.00 0.00 C ATOM 400 CG ASN A 29 5.196 12.137 -9.712 1.00 0.00 C ATOM 401 OD1 ASN A 29 4.375 11.949 -8.829 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.276 13.256 -10.426 1.00 0.00 N ATOM 0 H ASN A 29 8.175 10.142 -11.328 1.00 0.00 H new ATOM 0 HA ASN A 29 7.683 12.657 -10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.070 10.755 -11.119 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.115 10.202 -9.457 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.626 14.022 -10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.987 13.349 -11.151 1.00 0.00 H new ATOM 409 N ARG A 30 7.917 10.361 -7.916 1.00 0.00 N ATOM 410 CA ARG A 30 8.249 10.144 -6.518 1.00 0.00 C ATOM 411 C ARG A 30 7.522 11.161 -5.636 1.00 0.00 C ATOM 412 O ARG A 30 8.140 11.816 -4.798 1.00 0.00 O ATOM 413 CB ARG A 30 9.756 10.263 -6.285 1.00 0.00 C ATOM 414 CG ARG A 30 10.155 9.640 -4.946 1.00 0.00 C ATOM 415 CD ARG A 30 11.673 9.672 -4.757 1.00 0.00 C ATOM 416 NE ARG A 30 12.014 10.395 -3.512 1.00 0.00 N ATOM 417 CZ ARG A 30 13.259 10.747 -3.164 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.289 10.444 -3.966 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.474 11.402 -2.015 1.00 0.00 N ATOM 0 H ARG A 30 7.590 9.531 -8.410 1.00 0.00 H new ATOM 0 HA ARG A 30 7.931 9.135 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.293 9.768 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.049 11.313 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.672 10.180 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.801 8.610 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.064 8.655 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.144 10.160 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 30 11.253 10.641 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.125 9.946 -4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.237 10.712 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.690 11.633 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.422 11.670 -1.750 1.00 0.00 H new ATOM 433 N SER A 31 6.219 11.262 -5.854 1.00 0.00 N ATOM 434 CA SER A 31 5.401 12.188 -5.090 1.00 0.00 C ATOM 435 C SER A 31 4.319 11.422 -4.326 1.00 0.00 C ATOM 436 O SER A 31 4.084 10.244 -4.589 1.00 0.00 O ATOM 437 CB SER A 31 4.764 13.241 -5.999 1.00 0.00 C ATOM 438 OG SER A 31 5.744 14.034 -6.664 1.00 0.00 O ATOM 0 H SER A 31 5.709 10.717 -6.550 1.00 0.00 H new ATOM 0 HA SER A 31 6.044 12.704 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.133 12.748 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.116 13.887 -5.407 1.00 0.00 H new ATOM 0 HG SER A 31 5.298 14.693 -7.236 1.00 0.00 H new ATOM 444 N TRP A 32 3.688 12.123 -3.395 1.00 0.00 N ATOM 445 CA TRP A 32 2.637 11.524 -2.591 1.00 0.00 C ATOM 446 C TRP A 32 1.310 11.717 -3.328 1.00 0.00 C ATOM 447 O TRP A 32 0.965 12.834 -3.710 1.00 0.00 O ATOM 448 CB TRP A 32 2.626 12.110 -1.178 1.00 0.00 C ATOM 449 CG TRP A 32 3.740 11.578 -0.275 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.910 12.161 0.022 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.742 10.325 0.442 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.663 11.378 0.874 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.930 10.226 1.137 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.772 9.309 0.500 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.259 9.128 1.941 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.116 8.218 1.308 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.308 8.104 2.014 1.00 0.00 C ATOM 0 H TRP A 32 3.885 13.100 -3.180 1.00 0.00 H new ATOM 0 HA TRP A 32 2.812 10.456 -2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.713 13.194 -1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.663 11.896 -0.714 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.224 13.122 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.587 11.603 1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.836 9.365 -0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.196 9.074 2.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.405 7.409 1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.499 7.228 2.617 1.00 0.00 H new ATOM 468 N GLN A 33 0.603 10.611 -3.507 1.00 0.00 N ATOM 469 CA GLN A 33 -0.678 10.644 -4.192 1.00 0.00 C ATOM 470 C GLN A 33 -1.620 9.589 -3.608 1.00 0.00 C ATOM 471 O GLN A 33 -1.214 8.451 -3.374 1.00 0.00 O ATOM 472 CB GLN A 33 -0.500 10.446 -5.698 1.00 0.00 C ATOM 473 CG GLN A 33 -0.103 11.757 -6.380 1.00 0.00 C ATOM 474 CD GLN A 33 -0.219 11.641 -7.901 1.00 0.00 C ATOM 475 OE1 GLN A 33 -1.212 12.015 -8.504 1.00 0.00 O ATOM 476 NE2 GLN A 33 0.848 11.103 -8.486 1.00 0.00 N ATOM 0 H GLN A 33 0.893 9.686 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.124 11.626 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.264 9.691 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.428 10.073 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.742 12.565 -6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.920 12.017 -6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.646 10.811 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.868 10.982 -9.499 1.00 0.00 H new ATOM 485 N ASN A 34 -2.859 10.003 -3.390 1.00 0.00 N ATOM 486 CA ASN A 34 -3.861 9.108 -2.838 1.00 0.00 C ATOM 487 C ASN A 34 -4.202 8.032 -3.871 1.00 0.00 C ATOM 488 O ASN A 34 -4.922 8.295 -4.832 1.00 0.00 O ATOM 489 CB ASN A 34 -5.149 9.863 -2.500 1.00 0.00 C ATOM 490 CG ASN A 34 -5.661 10.642 -3.713 1.00 0.00 C ATOM 491 OD1 ASN A 34 -5.022 11.553 -4.213 1.00 0.00 O ATOM 492 ND2 ASN A 34 -6.847 10.235 -4.156 1.00 0.00 N ATOM 0 H ASN A 34 -3.192 10.947 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.453 8.666 -1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.911 9.159 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.966 10.549 -1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.275 10.692 -4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.329 9.466 -3.691 1.00 0.00 H new ATOM 499 N VAL A 35 -3.668 6.842 -3.636 1.00 0.00 N ATOM 500 CA VAL A 35 -3.906 5.725 -4.535 1.00 0.00 C ATOM 501 C VAL A 35 -4.471 4.547 -3.738 1.00 0.00 C ATOM 502 O VAL A 35 -3.859 4.098 -2.770 1.00 0.00 O ATOM 503 CB VAL A 35 -2.621 5.376 -5.288 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.886 4.324 -6.366 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.981 6.629 -5.889 1.00 0.00 C ATOM 0 H VAL A 35 -3.072 6.627 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.646 5.992 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.917 4.951 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.956 4.094 -6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.276 3.418 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.615 4.709 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.069 6.353 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.678 7.096 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.739 7.332 -5.092 1.00 0.00 H new ATOM 515 N TYR A 36 -5.631 4.081 -4.175 1.00 0.00 N ATOM 516 CA TYR A 36 -6.285 2.964 -3.514 1.00 0.00 C ATOM 517 C TYR A 36 -5.554 1.651 -3.804 1.00 0.00 C ATOM 518 O TYR A 36 -5.559 1.170 -4.936 1.00 0.00 O ATOM 519 CB TYR A 36 -7.694 2.890 -4.106 1.00 0.00 C ATOM 520 CG TYR A 36 -8.628 1.926 -3.372 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.177 2.286 -2.158 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.921 0.695 -3.923 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.056 1.379 -1.467 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.800 -0.213 -3.232 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.324 0.174 -2.039 1.00 0.00 C ATOM 526 OH TYR A 36 -11.154 -0.683 -1.386 1.00 0.00 O ATOM 0 H TYR A 36 -6.135 4.456 -4.978 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.292 3.108 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.135 3.887 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.623 2.586 -5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.947 3.249 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.491 0.412 -4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.492 1.649 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.037 -1.179 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.319 -1.469 -1.947 1.00 0.00 H new ATOM 536 N CYS A 37 -4.943 1.109 -2.761 1.00 0.00 N ATOM 537 CA CYS A 37 -4.209 -0.138 -2.889 1.00 0.00 C ATOM 538 C CYS A 37 -5.218 -1.287 -2.941 1.00 0.00 C ATOM 539 O CYS A 37 -6.126 -1.358 -2.114 1.00 0.00 O ATOM 540 CB CYS A 37 -3.198 -0.319 -1.755 1.00 0.00 C ATOM 541 SG CYS A 37 -1.496 -0.315 -2.427 1.00 0.00 S ATOM 0 H CYS A 37 -4.941 1.511 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.626 -0.125 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.311 0.482 -1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.389 -1.256 -1.232 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.858 0.729 -1.987 1.00 0.00 H new ATOM 547 N VAL A 38 -5.026 -2.157 -3.921 1.00 0.00 N ATOM 548 CA VAL A 38 -5.909 -3.299 -4.092 1.00 0.00 C ATOM 549 C VAL A 38 -5.071 -4.574 -4.197 1.00 0.00 C ATOM 550 O VAL A 38 -4.452 -4.832 -5.228 1.00 0.00 O ATOM 551 CB VAL A 38 -6.819 -3.080 -5.303 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.439 -4.399 -5.768 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.901 -2.043 -4.995 1.00 0.00 C ATOM 0 H VAL A 38 -4.272 -2.095 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.563 -3.410 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.207 -2.693 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.081 -4.215 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.648 -5.095 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.031 -4.828 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.534 -1.906 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.509 -2.389 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.432 -1.094 -4.734 1.00 0.00 H new ATOM 563 N LEU A 39 -5.078 -5.340 -3.115 1.00 0.00 N ATOM 564 CA LEU A 39 -4.326 -6.582 -3.073 1.00 0.00 C ATOM 565 C LEU A 39 -5.280 -7.758 -3.295 1.00 0.00 C ATOM 566 O LEU A 39 -6.423 -7.729 -2.843 1.00 0.00 O ATOM 567 CB LEU A 39 -3.524 -6.679 -1.774 1.00 0.00 C ATOM 568 CG LEU A 39 -2.667 -7.935 -1.606 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.191 -7.572 -1.428 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.186 -8.805 -0.460 1.00 0.00 C ATOM 0 H LEU A 39 -5.593 -5.124 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.591 -6.610 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.873 -5.807 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.219 -6.623 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.745 -8.526 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.604 -8.483 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.842 -7.026 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.074 -6.948 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.559 -9.691 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.158 -8.237 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.212 -9.108 -0.669 1.00 0.00 H new ATOM 582 N ARG A 40 -4.774 -8.765 -3.992 1.00 0.00 N ATOM 583 CA ARG A 40 -5.566 -9.948 -4.280 1.00 0.00 C ATOM 584 C ARG A 40 -4.721 -11.211 -4.096 1.00 0.00 C ATOM 585 O ARG A 40 -3.815 -11.239 -3.265 1.00 0.00 O ATOM 586 CB ARG A 40 -6.111 -9.912 -5.709 1.00 0.00 C ATOM 587 CG ARG A 40 -7.523 -10.498 -5.773 1.00 0.00 C ATOM 588 CD ARG A 40 -8.573 -9.437 -5.440 1.00 0.00 C ATOM 589 NE ARG A 40 -9.888 -10.078 -5.215 1.00 0.00 N ATOM 590 CZ ARG A 40 -10.672 -10.548 -6.195 1.00 0.00 C ATOM 591 NH1 ARG A 40 -10.279 -10.450 -7.472 1.00 0.00 N ATOM 592 NH2 ARG A 40 -11.849 -11.115 -5.897 1.00 0.00 N ATOM 0 H ARG A 40 -3.825 -8.786 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.404 -9.963 -3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.123 -8.884 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.450 -10.474 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.709 -10.899 -6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.607 -11.330 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.273 -8.883 -4.551 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.645 -8.717 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.218 -10.168 -4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.383 -10.018 -7.698 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.876 -10.808 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.148 -11.189 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.446 -11.473 -6.643 1.00 0.00 H new ATOM 606 N ARG A 41 -5.049 -12.224 -4.885 1.00 0.00 N ATOM 607 CA ARG A 41 -4.332 -13.485 -4.819 1.00 0.00 C ATOM 608 C ARG A 41 -2.884 -13.297 -5.276 1.00 0.00 C ATOM 609 O ARG A 41 -2.506 -13.751 -6.355 1.00 0.00 O ATOM 610 CB ARG A 41 -5.002 -14.546 -5.695 1.00 0.00 C ATOM 611 CG ARG A 41 -6.416 -14.854 -5.198 1.00 0.00 C ATOM 612 CD ARG A 41 -6.948 -16.145 -5.824 1.00 0.00 C ATOM 613 NE ARG A 41 -8.109 -16.641 -5.051 1.00 0.00 N ATOM 614 CZ ARG A 41 -9.371 -16.238 -5.249 1.00 0.00 C ATOM 615 NH1 ARG A 41 -9.644 -15.330 -6.196 1.00 0.00 N ATOM 616 NH2 ARG A 41 -10.361 -16.742 -4.500 1.00 0.00 N ATOM 0 H ARG A 41 -5.802 -12.196 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.349 -13.822 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.043 -14.198 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.404 -15.457 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.411 -14.947 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.080 -14.026 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.240 -15.964 -6.858 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.163 -16.901 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.937 -17.333 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.891 -14.946 -6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.605 -15.023 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.154 -17.433 -3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.322 -16.435 -4.651 1.00 0.00 H new ATOM 630 N GLY A 42 -2.113 -12.627 -4.433 1.00 0.00 N ATOM 631 CA GLY A 42 -0.715 -12.373 -4.737 1.00 0.00 C ATOM 632 C GLY A 42 -0.574 -11.278 -5.796 1.00 0.00 C ATOM 633 O GLY A 42 0.056 -11.489 -6.832 1.00 0.00 O ATOM 0 H GLY A 42 -2.430 -12.252 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.190 -12.076 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.244 -13.290 -5.092 1.00 0.00 H new ATOM 637 N SER A 43 -1.171 -10.133 -5.500 1.00 0.00 N ATOM 638 CA SER A 43 -1.120 -9.005 -6.414 1.00 0.00 C ATOM 639 C SER A 43 -1.440 -7.709 -5.665 1.00 0.00 C ATOM 640 O SER A 43 -1.936 -7.745 -4.541 1.00 0.00 O ATOM 641 CB SER A 43 -2.091 -9.197 -7.581 1.00 0.00 C ATOM 642 OG SER A 43 -3.423 -9.431 -7.134 1.00 0.00 O ATOM 0 H SER A 43 -1.692 -9.962 -4.640 1.00 0.00 H new ATOM 0 HA SER A 43 -0.111 -8.942 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.072 -8.312 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.761 -10.037 -8.193 1.00 0.00 H new ATOM 0 HG SER A 43 -4.012 -9.547 -7.908 1.00 0.00 H new ATOM 648 N LEU A 44 -1.142 -6.596 -6.319 1.00 0.00 N ATOM 649 CA LEU A 44 -1.391 -5.292 -5.729 1.00 0.00 C ATOM 650 C LEU A 44 -1.671 -4.279 -6.841 1.00 0.00 C ATOM 651 O LEU A 44 -0.745 -3.775 -7.474 1.00 0.00 O ATOM 652 CB LEU A 44 -0.237 -4.891 -4.808 1.00 0.00 C ATOM 653 CG LEU A 44 -0.333 -3.499 -4.181 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.465 -3.437 -3.153 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.010 -3.075 -3.581 1.00 0.00 C ATOM 0 H LEU A 44 -0.730 -6.570 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.277 -5.324 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.167 -5.625 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.692 -4.949 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.574 -2.785 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.511 -2.437 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.412 -3.666 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.279 -4.164 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.915 -2.082 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.305 -3.786 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.768 -3.054 -4.364 1.00 0.00 H new ATOM 667 N GLY A 45 -2.953 -4.012 -7.046 1.00 0.00 N ATOM 668 CA GLY A 45 -3.366 -3.068 -8.070 1.00 0.00 C ATOM 669 C GLY A 45 -3.649 -1.691 -7.466 1.00 0.00 C ATOM 670 O GLY A 45 -4.038 -1.588 -6.304 1.00 0.00 O ATOM 0 H GLY A 45 -3.719 -4.433 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.586 -2.983 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.259 -3.439 -8.572 1.00 0.00 H new ATOM 674 N PHE A 46 -3.441 -0.668 -8.282 1.00 0.00 N ATOM 675 CA PHE A 46 -3.669 0.698 -7.842 1.00 0.00 C ATOM 676 C PHE A 46 -4.903 1.294 -8.522 1.00 0.00 C ATOM 677 O PHE A 46 -5.161 1.025 -9.694 1.00 0.00 O ATOM 678 CB PHE A 46 -2.436 1.509 -8.246 1.00 0.00 C ATOM 679 CG PHE A 46 -1.119 0.950 -7.705 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.845 1.022 -6.374 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.221 0.382 -8.554 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.377 0.504 -5.872 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.002 -0.136 -8.051 1.00 0.00 C ATOM 684 CZ PHE A 46 1.275 -0.065 -6.721 1.00 0.00 C ATOM 0 H PHE A 46 -3.117 -0.758 -9.245 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.835 0.720 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.382 1.551 -9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.556 2.533 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.558 1.473 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.438 0.325 -9.610 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.594 0.561 -4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.715 -0.586 -8.725 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.204 -0.460 -6.339 1.00 0.00 H new ATOM 694 N TYR A 47 -5.632 2.093 -7.757 1.00 0.00 N ATOM 695 CA TYR A 47 -6.833 2.730 -8.271 1.00 0.00 C ATOM 696 C TYR A 47 -7.076 4.076 -7.585 1.00 0.00 C ATOM 697 O TYR A 47 -6.612 4.301 -6.469 1.00 0.00 O ATOM 698 CB TYR A 47 -7.988 1.784 -7.937 1.00 0.00 C ATOM 699 CG TYR A 47 -7.829 0.378 -8.518 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.920 -0.499 -7.962 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.595 -0.014 -9.597 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.770 -1.823 -8.509 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.445 -1.337 -10.143 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.540 -2.177 -9.572 1.00 0.00 C ATOM 705 OH TYR A 47 -7.399 -3.427 -10.089 1.00 0.00 O ATOM 0 H TYR A 47 -5.414 2.314 -6.785 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.741 2.916 -9.341 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.081 1.710 -6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.917 2.216 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.321 -0.193 -7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.307 0.672 -10.032 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.062 -2.519 -8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.038 -1.656 -10.987 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.014 -3.540 -10.844 1.00 0.00 H new ATOM 715 N LYS A 48 -7.805 4.936 -8.282 1.00 0.00 N ATOM 716 CA LYS A 48 -8.115 6.254 -7.754 1.00 0.00 C ATOM 717 C LYS A 48 -8.634 6.115 -6.321 1.00 0.00 C ATOM 718 O LYS A 48 -8.005 6.596 -5.380 1.00 0.00 O ATOM 719 CB LYS A 48 -9.077 6.992 -8.687 1.00 0.00 C ATOM 720 CG LYS A 48 -9.419 8.378 -8.138 1.00 0.00 C ATOM 721 CD LYS A 48 -9.450 9.420 -9.258 1.00 0.00 C ATOM 722 CE LYS A 48 -10.884 9.857 -9.561 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.894 11.180 -10.224 1.00 0.00 N ATOM 0 H LYS A 48 -8.190 4.746 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.216 6.868 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.628 7.089 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.990 6.409 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.388 8.346 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.683 8.667 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.855 10.287 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.995 9.006 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.368 9.119 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.459 9.903 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.875 11.461 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.451 11.884 -9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.362 11.125 -11.116 1.00 0.00 H new ATOM 737 N ASP A 49 -9.776 5.454 -6.201 1.00 0.00 N ATOM 738 CA ASP A 49 -10.386 5.246 -4.899 1.00 0.00 C ATOM 739 C ASP A 49 -11.116 3.902 -4.891 1.00 0.00 C ATOM 740 O ASP A 49 -11.065 3.158 -5.870 1.00 0.00 O ATOM 741 CB ASP A 49 -11.409 6.341 -4.588 1.00 0.00 C ATOM 742 CG ASP A 49 -11.960 7.076 -5.811 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.488 6.377 -6.704 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.842 8.321 -5.827 1.00 0.00 O ATOM 0 H ASP A 49 -10.295 5.056 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.595 5.268 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.242 5.895 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.948 7.070 -3.922 1.00 0.00 H new ATOM 749 N ALA A 50 -11.778 3.630 -3.776 1.00 0.00 N ATOM 750 CA ALA A 50 -12.518 2.388 -3.629 1.00 0.00 C ATOM 751 C ALA A 50 -13.679 2.370 -4.624 1.00 0.00 C ATOM 752 O ALA A 50 -14.230 1.311 -4.922 1.00 0.00 O ATOM 753 CB ALA A 50 -12.988 2.243 -2.180 1.00 0.00 C ATOM 0 H ALA A 50 -11.817 4.248 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.881 1.532 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.543 1.312 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.123 2.231 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.633 3.083 -1.921 1.00 0.00 H new ATOM 759 N LYS A 51 -14.019 3.554 -5.111 1.00 0.00 N ATOM 760 CA LYS A 51 -15.105 3.688 -6.066 1.00 0.00 C ATOM 761 C LYS A 51 -14.578 3.406 -7.474 1.00 0.00 C ATOM 762 O LYS A 51 -15.354 3.142 -8.391 1.00 0.00 O ATOM 763 CB LYS A 51 -15.779 5.054 -5.924 1.00 0.00 C ATOM 764 CG LYS A 51 -16.547 5.152 -4.604 1.00 0.00 C ATOM 765 CD LYS A 51 -17.961 4.584 -4.749 1.00 0.00 C ATOM 766 CE LYS A 51 -19.013 5.672 -4.526 1.00 0.00 C ATOM 767 NZ LYS A 51 -20.304 5.070 -4.125 1.00 0.00 N ATOM 0 H LYS A 51 -13.561 4.430 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.883 2.952 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.027 5.841 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.461 5.215 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.011 4.609 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.600 6.193 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.084 4.152 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.108 3.778 -4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.672 6.363 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.144 6.252 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.007 5.822 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.635 4.428 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.178 4.536 -3.242 1.00 0.00 H new ATOM 781 N ALA A 52 -13.260 3.472 -7.603 1.00 0.00 N ATOM 782 CA ALA A 52 -12.620 3.227 -8.884 1.00 0.00 C ATOM 783 C ALA A 52 -12.149 1.773 -8.944 1.00 0.00 C ATOM 784 O ALA A 52 -11.831 1.263 -10.017 1.00 0.00 O ATOM 785 CB ALA A 52 -11.473 4.220 -9.079 1.00 0.00 C ATOM 0 H ALA A 52 -12.619 3.692 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.325 3.379 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.992 4.037 -10.040 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.865 5.237 -9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.743 4.095 -8.279 1.00 0.00 H new ATOM 791 N ALA A 53 -12.119 1.145 -7.777 1.00 0.00 N ATOM 792 CA ALA A 53 -11.692 -0.241 -7.684 1.00 0.00 C ATOM 793 C ALA A 53 -12.886 -1.157 -7.960 1.00 0.00 C ATOM 794 O ALA A 53 -12.774 -2.117 -8.721 1.00 0.00 O ATOM 795 CB ALA A 53 -11.069 -0.492 -6.309 1.00 0.00 C ATOM 0 H ALA A 53 -12.383 1.571 -6.888 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.929 -0.459 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.749 -1.532 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.208 0.163 -6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.806 -0.286 -5.533 1.00 0.00 H new ATOM 801 N SER A 54 -14.002 -0.830 -7.325 1.00 0.00 N ATOM 802 CA SER A 54 -15.215 -1.611 -7.492 1.00 0.00 C ATOM 803 C SER A 54 -15.670 -1.565 -8.952 1.00 0.00 C ATOM 804 O SER A 54 -16.136 -2.567 -9.493 1.00 0.00 O ATOM 805 CB SER A 54 -16.328 -1.104 -6.573 1.00 0.00 C ATOM 806 OG SER A 54 -16.856 -2.142 -5.751 1.00 0.00 O ATOM 0 H SER A 54 -14.091 -0.034 -6.694 1.00 0.00 H new ATOM 0 HA SER A 54 -14.997 -2.643 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.941 -0.304 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.129 -0.676 -7.176 1.00 0.00 H new ATOM 0 HG SER A 54 -17.563 -1.778 -5.178 1.00 0.00 H new ATOM 812 N ALA A 55 -15.520 -0.392 -9.548 1.00 0.00 N ATOM 813 CA ALA A 55 -15.910 -0.202 -10.935 1.00 0.00 C ATOM 814 C ALA A 55 -14.861 -0.841 -11.847 1.00 0.00 C ATOM 815 O ALA A 55 -15.134 -1.120 -13.014 1.00 0.00 O ATOM 816 CB ALA A 55 -16.094 1.291 -11.214 1.00 0.00 C ATOM 0 H ALA A 55 -15.134 0.437 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.863 -0.691 -11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.386 1.433 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.870 1.690 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.157 1.815 -11.026 1.00 0.00 H new ATOM 822 N GLY A 56 -13.682 -1.054 -11.282 1.00 0.00 N ATOM 823 CA GLY A 56 -12.590 -1.654 -12.029 1.00 0.00 C ATOM 824 C GLY A 56 -11.909 -0.622 -12.929 1.00 0.00 C ATOM 825 O GLY A 56 -11.478 -0.945 -14.035 1.00 0.00 O ATOM 0 H GLY A 56 -13.459 -0.821 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.861 -2.076 -11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.968 -2.477 -12.635 1.00 0.00 H new ATOM 829 N VAL A 57 -11.833 0.600 -12.422 1.00 0.00 N ATOM 830 CA VAL A 57 -11.211 1.682 -13.166 1.00 0.00 C ATOM 831 C VAL A 57 -9.818 1.953 -12.595 1.00 0.00 C ATOM 832 O VAL A 57 -9.681 2.300 -11.422 1.00 0.00 O ATOM 833 CB VAL A 57 -12.115 2.916 -13.149 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.540 4.028 -14.028 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.539 2.558 -13.579 1.00 0.00 C ATOM 0 H VAL A 57 -12.192 0.865 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.085 1.403 -14.212 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.158 3.287 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.202 4.894 -13.999 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.555 4.311 -13.658 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.454 3.672 -15.055 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.161 3.453 -13.558 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.522 2.151 -14.590 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.949 1.815 -12.895 1.00 0.00 H new ATOM 845 N PRO A 58 -8.793 1.782 -13.472 1.00 0.00 N ATOM 846 CA PRO A 58 -7.415 2.004 -13.067 1.00 0.00 C ATOM 847 C PRO A 58 -7.113 3.500 -12.952 1.00 0.00 C ATOM 848 O PRO A 58 -7.482 4.280 -13.828 1.00 0.00 O ATOM 849 CB PRO A 58 -6.576 1.308 -14.125 1.00 0.00 C ATOM 850 CG PRO A 58 -7.490 1.121 -15.325 1.00 0.00 C ATOM 851 CD PRO A 58 -8.918 1.372 -14.868 1.00 0.00 C ATOM 0 HA PRO A 58 -7.197 1.601 -12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.704 1.907 -14.388 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.207 0.349 -13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.218 1.812 -16.123 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.390 0.113 -15.728 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.395 2.147 -15.467 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.528 0.474 -14.964 1.00 0.00 H new ATOM 859 N TYR A 59 -6.443 3.854 -11.865 1.00 0.00 N ATOM 860 CA TYR A 59 -6.086 5.242 -11.625 1.00 0.00 C ATOM 861 C TYR A 59 -5.476 5.876 -12.877 1.00 0.00 C ATOM 862 O TYR A 59 -6.057 6.790 -13.460 1.00 0.00 O ATOM 863 CB TYR A 59 -5.034 5.221 -10.514 1.00 0.00 C ATOM 864 CG TYR A 59 -4.599 6.610 -10.043 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.548 7.568 -9.751 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.257 6.905 -9.910 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.139 8.875 -9.307 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.848 8.212 -9.467 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.809 9.133 -9.187 1.00 0.00 C ATOM 870 OH TYR A 59 -3.422 10.367 -8.768 1.00 0.00 O ATOM 0 H TYR A 59 -6.138 3.204 -11.141 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.967 5.824 -11.355 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.430 4.668 -9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.158 4.677 -10.868 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.598 7.337 -9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.514 6.155 -10.138 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.872 9.634 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.801 8.456 -9.359 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.453 10.461 -8.880 1.00 0.00 H new ATOM 880 N HIS A 60 -4.313 5.365 -13.253 1.00 0.00 N ATOM 881 CA HIS A 60 -3.618 5.870 -14.425 1.00 0.00 C ATOM 882 C HIS A 60 -3.383 4.727 -15.414 1.00 0.00 C ATOM 883 O HIS A 60 -2.288 4.586 -15.957 1.00 0.00 O ATOM 884 CB HIS A 60 -2.324 6.583 -14.025 1.00 0.00 C ATOM 885 CG HIS A 60 -2.535 7.971 -13.470 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.520 8.472 -12.671 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.670 9.021 -13.727 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.270 9.757 -12.450 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.124 10.099 -13.105 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.834 4.607 -12.767 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.236 6.616 -14.925 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.804 5.980 -13.280 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.672 6.646 -14.896 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.777 8.970 -14.332 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.874 10.422 -11.851 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.692 11.023 -13.114 1.00 0.00 H new ATOM 897 N GLY A 61 -4.428 3.939 -15.618 1.00 0.00 N ATOM 898 CA GLY A 61 -4.350 2.813 -16.533 1.00 0.00 C ATOM 899 C GLY A 61 -3.171 1.903 -16.182 1.00 0.00 C ATOM 900 O GLY A 61 -2.722 1.114 -17.012 1.00 0.00 O ATOM 0 H GLY A 61 -5.334 4.058 -15.165 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.278 2.243 -16.494 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.242 3.177 -17.555 1.00 0.00 H new ATOM 904 N GLU A 62 -2.703 2.042 -14.950 1.00 0.00 N ATOM 905 CA GLU A 62 -1.585 1.243 -14.479 1.00 0.00 C ATOM 906 C GLU A 62 -2.042 -0.188 -14.187 1.00 0.00 C ATOM 907 O GLU A 62 -3.231 -0.437 -13.997 1.00 0.00 O ATOM 908 CB GLU A 62 -0.941 1.875 -13.244 1.00 0.00 C ATOM 909 CG GLU A 62 0.165 2.855 -13.643 1.00 0.00 C ATOM 910 CD GLU A 62 1.351 2.765 -12.681 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.210 3.291 -11.556 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.371 2.171 -13.092 1.00 0.00 O ATOM 0 H GLU A 62 -3.078 2.697 -14.264 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.830 1.210 -15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.700 2.396 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.527 1.094 -12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.498 2.639 -14.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.229 3.871 -13.646 1.00 0.00 H new ATOM 919 N VAL A 63 -1.072 -1.091 -14.160 1.00 0.00 N ATOM 920 CA VAL A 63 -1.360 -2.490 -13.894 1.00 0.00 C ATOM 921 C VAL A 63 -0.932 -2.832 -12.465 1.00 0.00 C ATOM 922 O VAL A 63 -0.248 -2.045 -11.813 1.00 0.00 O ATOM 923 CB VAL A 63 -0.685 -3.372 -14.947 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.684 -3.804 -16.022 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.517 -2.659 -15.571 1.00 0.00 C ATOM 0 H VAL A 63 -0.086 -0.881 -14.318 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.431 -2.680 -13.967 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.320 -4.270 -14.448 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.179 -4.430 -16.758 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.494 -4.369 -15.560 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.092 -2.922 -16.515 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.978 -3.308 -16.316 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.185 -1.737 -16.048 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.244 -2.424 -14.794 1.00 0.00 H new ATOM 935 N PRO A 64 -1.365 -4.037 -12.009 1.00 0.00 N ATOM 936 CA PRO A 64 -1.035 -4.493 -10.669 1.00 0.00 C ATOM 937 C PRO A 64 0.424 -4.947 -10.589 1.00 0.00 C ATOM 938 O PRO A 64 1.002 -5.371 -11.589 1.00 0.00 O ATOM 939 CB PRO A 64 -2.022 -5.611 -10.379 1.00 0.00 C ATOM 940 CG PRO A 64 -2.560 -6.053 -11.731 1.00 0.00 C ATOM 941 CD PRO A 64 -2.178 -4.995 -12.753 1.00 0.00 C ATOM 0 HA PRO A 64 -1.119 -3.703 -9.923 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.535 -6.438 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.828 -5.263 -9.733 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.143 -7.021 -12.010 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.643 -6.172 -11.691 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.619 -5.429 -13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.061 -4.519 -13.179 1.00 0.00 H new ATOM 949 N VAL A 65 0.978 -4.843 -9.390 1.00 0.00 N ATOM 950 CA VAL A 65 2.358 -5.238 -9.166 1.00 0.00 C ATOM 951 C VAL A 65 2.389 -6.618 -8.507 1.00 0.00 C ATOM 952 O VAL A 65 1.781 -6.823 -7.457 1.00 0.00 O ATOM 953 CB VAL A 65 3.082 -4.168 -8.346 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.161 -2.848 -9.115 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.409 -3.971 -6.986 1.00 0.00 C ATOM 0 H VAL A 65 0.496 -4.491 -8.563 1.00 0.00 H new ATOM 0 HA VAL A 65 2.890 -5.318 -10.114 1.00 0.00 H new ATOM 0 HB VAL A 65 4.100 -4.514 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.680 -2.105 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.705 -3.002 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.154 -2.496 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.943 -3.205 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.375 -3.658 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.429 -4.909 -6.431 1.00 0.00 H new ATOM 965 N SER A 66 3.102 -7.531 -9.151 1.00 0.00 N ATOM 966 CA SER A 66 3.220 -8.886 -8.641 1.00 0.00 C ATOM 967 C SER A 66 4.108 -8.901 -7.395 1.00 0.00 C ATOM 968 O SER A 66 5.229 -8.395 -7.421 1.00 0.00 O ATOM 969 CB SER A 66 3.784 -9.828 -9.706 1.00 0.00 C ATOM 970 OG SER A 66 2.768 -10.632 -10.300 1.00 0.00 O ATOM 0 H SER A 66 3.604 -7.358 -10.022 1.00 0.00 H new ATOM 0 HA SER A 66 2.224 -9.239 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.282 -9.244 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.540 -10.472 -9.257 1.00 0.00 H new ATOM 0 HG SER A 66 3.168 -11.218 -10.976 1.00 0.00 H new ATOM 976 N LEU A 67 3.573 -9.486 -6.334 1.00 0.00 N ATOM 977 CA LEU A 67 4.303 -9.574 -5.080 1.00 0.00 C ATOM 978 C LEU A 67 5.155 -10.845 -5.079 1.00 0.00 C ATOM 979 O LEU A 67 5.209 -11.559 -4.079 1.00 0.00 O ATOM 980 CB LEU A 67 3.343 -9.476 -3.893 1.00 0.00 C ATOM 981 CG LEU A 67 2.380 -8.286 -3.905 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.175 -8.547 -2.999 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.105 -6.990 -3.537 1.00 0.00 C ATOM 0 H LEU A 67 2.643 -9.904 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 67 4.987 -8.731 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.755 -10.393 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.932 -9.432 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 67 1.999 -8.164 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.507 -7.686 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.642 -9.431 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.517 -8.710 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.398 -6.160 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.533 -7.083 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.902 -6.802 -4.257 1.00 0.00 H new ATOM 995 N ALA A 68 5.799 -11.089 -6.211 1.00 0.00 N ATOM 996 CA ALA A 68 6.645 -12.261 -6.353 1.00 0.00 C ATOM 997 C ALA A 68 8.035 -11.952 -5.793 1.00 0.00 C ATOM 998 O ALA A 68 8.746 -11.099 -6.322 1.00 0.00 O ATOM 999 CB ALA A 68 6.690 -12.684 -7.822 1.00 0.00 C ATOM 0 H ALA A 68 5.752 -10.495 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 68 6.239 -13.098 -5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.325 -13.564 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.682 -12.921 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.095 -11.870 -8.423 1.00 0.00 H new ATOM 1005 N ARG A 69 8.381 -12.663 -4.729 1.00 0.00 N ATOM 1006 CA ARG A 69 9.673 -12.475 -4.092 1.00 0.00 C ATOM 1007 C ARG A 69 9.784 -11.059 -3.523 1.00 0.00 C ATOM 1008 O ARG A 69 10.886 -10.560 -3.300 1.00 0.00 O ATOM 1009 CB ARG A 69 10.815 -12.710 -5.082 1.00 0.00 C ATOM 1010 CG ARG A 69 10.608 -14.011 -5.860 1.00 0.00 C ATOM 1011 CD ARG A 69 11.931 -14.758 -6.042 1.00 0.00 C ATOM 1012 NE ARG A 69 11.682 -16.214 -6.134 1.00 0.00 N ATOM 1013 CZ ARG A 69 12.530 -17.087 -6.693 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.687 -16.657 -7.215 1.00 0.00 N ATOM 1015 NH2 ARG A 69 12.221 -18.391 -6.731 1.00 0.00 N ATOM 0 H ARG A 69 7.789 -13.370 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 69 9.752 -13.202 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.877 -11.873 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.763 -12.750 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.898 -14.646 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.174 -13.791 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.434 -14.409 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.596 -14.547 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 69 10.810 -16.575 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.922 -15.665 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.333 -17.322 -7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.340 -18.718 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.867 -19.056 -7.157 1.00 0.00 H new ATOM 1029 N ALA A 70 8.627 -10.451 -3.305 1.00 0.00 N ATOM 1030 CA ALA A 70 8.580 -9.102 -2.766 1.00 0.00 C ATOM 1031 C ALA A 70 8.670 -9.164 -1.240 1.00 0.00 C ATOM 1032 O ALA A 70 8.620 -10.244 -0.655 1.00 0.00 O ATOM 1033 CB ALA A 70 7.306 -8.404 -3.247 1.00 0.00 C ATOM 0 H ALA A 70 7.715 -10.868 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 70 9.427 -8.516 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.271 -7.392 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.304 -8.360 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.434 -8.962 -2.905 1.00 0.00 H new ATOM 1039 N GLN A 71 8.802 -7.990 -0.639 1.00 0.00 N ATOM 1040 CA GLN A 71 8.899 -7.897 0.807 1.00 0.00 C ATOM 1041 C GLN A 71 8.209 -6.625 1.305 1.00 0.00 C ATOM 1042 O GLN A 71 8.355 -5.560 0.707 1.00 0.00 O ATOM 1043 CB GLN A 71 10.359 -7.942 1.263 1.00 0.00 C ATOM 1044 CG GLN A 71 10.743 -9.345 1.735 1.00 0.00 C ATOM 1045 CD GLN A 71 10.649 -9.456 3.259 1.00 0.00 C ATOM 1046 OE1 GLN A 71 11.324 -8.761 4.000 1.00 0.00 O ATOM 1047 NE2 GLN A 71 9.776 -10.366 3.682 1.00 0.00 N ATOM 0 H GLN A 71 8.844 -7.096 -1.128 1.00 0.00 H new ATOM 0 HA GLN A 71 8.390 -8.757 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.009 -7.640 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.513 -7.228 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.086 -10.081 1.272 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.758 -9.576 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.243 -10.914 3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.639 -10.516 4.682 1.00 0.00 H new ATOM 1056 N GLY A 72 7.471 -6.778 2.395 1.00 0.00 N ATOM 1057 CA GLY A 72 6.757 -5.656 2.979 1.00 0.00 C ATOM 1058 C GLY A 72 7.154 -5.457 4.444 1.00 0.00 C ATOM 1059 O GLY A 72 7.011 -6.368 5.258 1.00 0.00 O ATOM 0 H GLY A 72 7.352 -7.663 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.972 -4.749 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.683 -5.828 2.909 1.00 0.00 H new ATOM 1063 N SER A 73 7.644 -4.261 4.734 1.00 0.00 N ATOM 1064 CA SER A 73 8.061 -3.931 6.086 1.00 0.00 C ATOM 1065 C SER A 73 7.576 -2.528 6.456 1.00 0.00 C ATOM 1066 O SER A 73 7.297 -1.713 5.579 1.00 0.00 O ATOM 1067 CB SER A 73 9.582 -4.022 6.231 1.00 0.00 C ATOM 1068 OG SER A 73 9.988 -5.243 6.844 1.00 0.00 O ATOM 0 H SER A 73 7.762 -3.508 4.056 1.00 0.00 H new ATOM 0 HA SER A 73 7.614 -4.654 6.768 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.045 -3.938 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.940 -3.181 6.825 1.00 0.00 H new ATOM 0 HG SER A 73 10.965 -5.263 6.917 1.00 0.00 H new ATOM 1074 N VAL A 74 7.491 -2.290 7.757 1.00 0.00 N ATOM 1075 CA VAL A 74 7.044 -1.000 8.254 1.00 0.00 C ATOM 1076 C VAL A 74 8.154 0.033 8.050 1.00 0.00 C ATOM 1077 O VAL A 74 9.330 -0.321 7.976 1.00 0.00 O ATOM 1078 CB VAL A 74 6.605 -1.125 9.715 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.417 0.254 10.350 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.331 -1.963 9.834 1.00 0.00 C ATOM 0 H VAL A 74 7.724 -2.969 8.482 1.00 0.00 H new ATOM 0 HA VAL A 74 6.173 -0.657 7.695 1.00 0.00 H new ATOM 0 HB VAL A 74 7.396 -1.640 10.261 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.105 0.137 11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.358 0.803 10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.654 0.806 9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.040 -2.036 10.882 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.529 -1.489 9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.514 -2.962 9.437 1.00 0.00 H new ATOM 1090 N ALA A 75 7.742 1.289 7.964 1.00 0.00 N ATOM 1091 CA ALA A 75 8.687 2.375 7.769 1.00 0.00 C ATOM 1092 C ALA A 75 8.844 3.150 9.079 1.00 0.00 C ATOM 1093 O ALA A 75 8.280 4.232 9.236 1.00 0.00 O ATOM 1094 CB ALA A 75 8.212 3.265 6.619 1.00 0.00 C ATOM 0 H ALA A 75 6.766 1.579 8.026 1.00 0.00 H new ATOM 0 HA ALA A 75 9.668 1.986 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.921 4.080 6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.145 2.674 5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.231 3.676 6.858 1.00 0.00 H new ATOM 1223 N LYS A 82 2.408 8.468 10.657 1.00 0.00 N ATOM 1224 CA LYS A 82 2.290 7.167 11.294 1.00 0.00 C ATOM 1225 C LYS A 82 1.691 6.170 10.300 1.00 0.00 C ATOM 1226 O LYS A 82 1.245 6.556 9.221 1.00 0.00 O ATOM 1227 CB LYS A 82 1.505 7.280 12.602 1.00 0.00 C ATOM 1228 CG LYS A 82 2.396 7.794 13.734 1.00 0.00 C ATOM 1229 CD LYS A 82 1.562 8.467 14.826 1.00 0.00 C ATOM 1230 CE LYS A 82 1.579 7.644 16.115 1.00 0.00 C ATOM 1231 NZ LYS A 82 1.798 8.520 17.287 1.00 0.00 N ATOM 0 HA LYS A 82 3.273 6.788 11.572 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.659 7.954 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.096 6.306 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.961 6.966 14.162 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.122 8.503 13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.952 9.466 15.023 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.535 8.588 14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.635 7.110 16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.367 6.893 16.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.807 7.945 18.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.710 9.011 17.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.032 9.221 17.344 1.00 0.00 H new ATOM 1245 N HIS A 83 1.699 4.907 10.700 1.00 0.00 N ATOM 1246 CA HIS A 83 1.161 3.852 9.858 1.00 0.00 C ATOM 1247 C HIS A 83 1.743 3.974 8.449 1.00 0.00 C ATOM 1248 O HIS A 83 1.007 4.181 7.485 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.369 3.873 9.872 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.968 5.208 9.504 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.386 5.514 8.220 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.217 6.314 10.263 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.862 6.751 8.219 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.755 7.245 9.485 1.00 0.00 N ATOM 0 H HIS A 83 2.070 4.590 11.596 1.00 0.00 H new ATOM 0 HA HIS A 83 1.456 2.880 10.253 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.739 3.117 9.179 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.717 3.592 10.866 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.011 6.415 11.318 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.264 7.276 7.365 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.041 8.177 9.785 1.00 0.00 H new ATOM 1262 N VAL A 84 3.059 3.839 8.373 1.00 0.00 N ATOM 1263 CA VAL A 84 3.748 3.932 7.097 1.00 0.00 C ATOM 1264 C VAL A 84 4.702 2.744 6.950 1.00 0.00 C ATOM 1265 O VAL A 84 5.633 2.591 7.739 1.00 0.00 O ATOM 1266 CB VAL A 84 4.455 5.284 6.980 1.00 0.00 C ATOM 1267 CG1 VAL A 84 5.154 5.422 5.627 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.475 6.436 7.211 1.00 0.00 C ATOM 0 H VAL A 84 3.666 3.666 9.174 1.00 0.00 H new ATOM 0 HA VAL A 84 3.035 3.881 6.274 1.00 0.00 H new ATOM 0 HB VAL A 84 5.218 5.332 7.757 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.648 6.392 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.895 4.630 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.418 5.343 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.002 7.386 7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.680 6.392 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.044 6.352 8.209 1.00 0.00 H new ATOM 1278 N PHE A 85 4.436 1.935 5.936 1.00 0.00 N ATOM 1279 CA PHE A 85 5.259 0.766 5.676 1.00 0.00 C ATOM 1280 C PHE A 85 5.783 0.773 4.239 1.00 0.00 C ATOM 1281 O PHE A 85 5.056 1.123 3.310 1.00 0.00 O ATOM 1282 CB PHE A 85 4.368 -0.462 5.875 1.00 0.00 C ATOM 1283 CG PHE A 85 3.138 -0.492 4.965 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.108 0.368 5.185 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.075 -1.380 3.936 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.967 0.340 4.341 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.934 -1.408 3.092 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.904 -0.548 3.312 1.00 0.00 C ATOM 0 H PHE A 85 3.662 2.066 5.284 1.00 0.00 H new ATOM 0 HA PHE A 85 6.118 0.759 6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.960 -1.360 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.040 -0.496 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.158 1.073 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.893 -2.063 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.149 1.023 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.884 -2.113 2.275 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.036 -0.570 2.670 1.00 0.00 H new ATOM 1298 N LYS A 86 7.042 0.382 4.100 1.00 0.00 N ATOM 1299 CA LYS A 86 7.672 0.339 2.791 1.00 0.00 C ATOM 1300 C LYS A 86 7.414 -1.026 2.150 1.00 0.00 C ATOM 1301 O LYS A 86 7.392 -2.045 2.839 1.00 0.00 O ATOM 1302 CB LYS A 86 9.155 0.698 2.899 1.00 0.00 C ATOM 1303 CG LYS A 86 9.821 0.697 1.521 1.00 0.00 C ATOM 1304 CD LYS A 86 11.324 0.960 1.638 1.00 0.00 C ATOM 1305 CE LYS A 86 11.680 2.349 1.103 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.739 2.251 0.073 1.00 0.00 N ATOM 0 H LYS A 86 7.642 0.092 4.872 1.00 0.00 H new ATOM 0 HA LYS A 86 7.234 1.088 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.262 1.681 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.659 -0.015 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.653 -0.263 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.363 1.459 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.631 0.878 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.874 0.200 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.794 2.820 0.678 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.018 2.985 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.516 2.900 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.101 1.276 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.346 2.507 -0.855 1.00 0.00 H new ATOM 1320 N LEU A 87 7.227 -1.003 0.839 1.00 0.00 N ATOM 1321 CA LEU A 87 6.972 -2.226 0.098 1.00 0.00 C ATOM 1322 C LEU A 87 7.979 -2.343 -1.048 1.00 0.00 C ATOM 1323 O LEU A 87 7.808 -1.722 -2.096 1.00 0.00 O ATOM 1324 CB LEU A 87 5.513 -2.282 -0.359 1.00 0.00 C ATOM 1325 CG LEU A 87 5.134 -3.465 -1.252 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.250 -4.786 -0.490 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.741 -3.272 -1.856 1.00 0.00 C ATOM 0 H LEU A 87 7.247 -0.156 0.271 1.00 0.00 H new ATOM 0 HA LEU A 87 7.115 -3.096 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.877 -2.302 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.285 -1.360 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 87 5.841 -3.508 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.975 -5.611 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.277 -4.920 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.581 -4.770 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.496 -4.127 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.006 -3.189 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.728 -2.363 -2.457 1.00 0.00 H new ATOM 1339 N GLY A 88 9.008 -3.143 -0.809 1.00 0.00 N ATOM 1340 CA GLY A 88 10.043 -3.349 -1.808 1.00 0.00 C ATOM 1341 C GLY A 88 9.769 -4.610 -2.630 1.00 0.00 C ATOM 1342 O GLY A 88 9.797 -5.719 -2.099 1.00 0.00 O ATOM 0 H GLY A 88 9.147 -3.656 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.093 -2.484 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.014 -3.433 -1.319 1.00 0.00 H new ATOM 1346 N LEU A 89 9.510 -4.397 -3.912 1.00 0.00 N ATOM 1347 CA LEU A 89 9.231 -5.503 -4.812 1.00 0.00 C ATOM 1348 C LEU A 89 10.534 -6.243 -5.123 1.00 0.00 C ATOM 1349 O LEU A 89 11.584 -5.917 -4.572 1.00 0.00 O ATOM 1350 CB LEU A 89 8.494 -5.007 -6.058 1.00 0.00 C ATOM 1351 CG LEU A 89 7.162 -4.295 -5.810 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.229 -4.444 -7.013 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.511 -4.786 -4.515 1.00 0.00 C ATOM 0 H LEU A 89 9.488 -3.475 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 89 8.561 -6.220 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.152 -4.327 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.311 -5.860 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 89 7.361 -3.230 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.290 -3.929 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.699 -4.008 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.032 -5.501 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.566 -4.264 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.327 -5.858 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.176 -4.586 -3.675 1.00 0.00 H new ATOM 1365 N GLN A 90 10.423 -7.227 -6.004 1.00 0.00 N ATOM 1366 CA GLN A 90 11.578 -8.016 -6.394 1.00 0.00 C ATOM 1367 C GLN A 90 12.293 -7.362 -7.578 1.00 0.00 C ATOM 1368 O GLN A 90 13.393 -7.770 -7.947 1.00 0.00 O ATOM 1369 CB GLN A 90 11.174 -9.454 -6.724 1.00 0.00 C ATOM 1370 CG GLN A 90 10.301 -9.504 -7.980 1.00 0.00 C ATOM 1371 CD GLN A 90 10.442 -10.850 -8.692 1.00 0.00 C ATOM 1372 OE1 GLN A 90 9.282 -11.411 -9.024 1.00 0.00 O flip ATOM 1373 NE2 GLN A 90 11.531 -11.348 -8.926 1.00 0.00 N flip ATOM 0 H GLN A 90 9.550 -7.495 -6.459 1.00 0.00 H new ATOM 0 HA GLN A 90 12.269 -8.052 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.067 -10.061 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.632 -9.885 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.258 -9.339 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.585 -8.699 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.384 -10.865 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.588 -12.248 -9.403 1.00 0.00 H new ATOM 1382 N ASP A 91 11.638 -6.357 -8.141 1.00 0.00 N ATOM 1383 CA ASP A 91 12.197 -5.642 -9.276 1.00 0.00 C ATOM 1384 C ASP A 91 12.781 -4.311 -8.798 1.00 0.00 C ATOM 1385 O ASP A 91 12.865 -3.354 -9.566 1.00 0.00 O ATOM 1386 CB ASP A 91 11.120 -5.337 -10.320 1.00 0.00 C ATOM 1387 CG ASP A 91 11.607 -5.336 -11.770 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.147 -6.382 -12.188 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.428 -4.288 -12.428 1.00 0.00 O ATOM 0 H ASP A 91 10.726 -6.021 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 91 12.967 -6.271 -9.724 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.321 -6.072 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.686 -4.362 -10.098 1.00 0.00 H new ATOM 1394 N GLY A 92 13.170 -4.294 -7.531 1.00 0.00 N ATOM 1395 CA GLY A 92 13.744 -3.096 -6.941 1.00 0.00 C ATOM 1396 C GLY A 92 12.730 -1.951 -6.930 1.00 0.00 C ATOM 1397 O GLY A 92 13.106 -0.783 -7.027 1.00 0.00 O ATOM 0 H GLY A 92 13.099 -5.090 -6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.070 -3.308 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.629 -2.798 -7.503 1.00 0.00 H new ATOM 1401 N LYS A 93 11.465 -2.324 -6.811 1.00 0.00 N ATOM 1402 CA LYS A 93 10.394 -1.342 -6.786 1.00 0.00 C ATOM 1403 C LYS A 93 9.930 -1.136 -5.342 1.00 0.00 C ATOM 1404 O LYS A 93 9.295 -2.014 -4.760 1.00 0.00 O ATOM 1405 CB LYS A 93 9.270 -1.749 -7.741 1.00 0.00 C ATOM 1406 CG LYS A 93 8.949 -0.621 -8.723 1.00 0.00 C ATOM 1407 CD LYS A 93 7.682 -0.934 -9.522 1.00 0.00 C ATOM 1408 CE LYS A 93 8.030 -1.474 -10.911 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.384 -0.656 -11.961 1.00 0.00 N ATOM 0 H LYS A 93 11.157 -3.293 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 93 10.753 -0.378 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.562 -2.643 -8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.377 -2.004 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.818 0.314 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.787 -0.478 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.080 -1.666 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.077 -0.033 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.111 -1.467 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.704 -2.511 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.630 -1.036 -12.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.352 -0.684 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.715 0.327 -11.888 1.00 0.00 H new ATOM 1423 N GLU A 94 10.266 0.028 -4.807 1.00 0.00 N ATOM 1424 CA GLU A 94 9.892 0.360 -3.442 1.00 0.00 C ATOM 1425 C GLU A 94 8.699 1.318 -3.437 1.00 0.00 C ATOM 1426 O GLU A 94 8.619 2.220 -4.270 1.00 0.00 O ATOM 1427 CB GLU A 94 11.076 0.954 -2.678 1.00 0.00 C ATOM 1428 CG GLU A 94 12.099 -0.127 -2.325 1.00 0.00 C ATOM 1429 CD GLU A 94 13.466 0.192 -2.934 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.599 0.000 -4.162 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.347 0.620 -2.157 1.00 0.00 O ATOM 0 H GLU A 94 10.793 0.753 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 94 9.598 -0.558 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.552 1.727 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.721 1.435 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.189 -0.207 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.752 -1.094 -2.689 1.00 0.00 H new ATOM 1438 N TYR A 95 7.802 1.091 -2.490 1.00 0.00 N ATOM 1439 CA TYR A 95 6.617 1.923 -2.365 1.00 0.00 C ATOM 1440 C TYR A 95 6.345 2.275 -0.901 1.00 0.00 C ATOM 1441 O TYR A 95 6.673 1.502 -0.002 1.00 0.00 O ATOM 1442 CB TYR A 95 5.454 1.084 -2.900 1.00 0.00 C ATOM 1443 CG TYR A 95 5.414 0.977 -4.425 1.00 0.00 C ATOM 1444 CD1 TYR A 95 4.922 2.024 -5.178 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.870 -0.166 -5.049 1.00 0.00 C ATOM 1446 CE1 TYR A 95 4.884 1.923 -6.614 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.833 -0.267 -6.485 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.341 0.782 -7.197 1.00 0.00 C ATOM 1449 OH TYR A 95 5.305 0.687 -8.553 1.00 0.00 O ATOM 0 H TYR A 95 7.872 0.342 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 95 6.745 2.857 -2.912 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.518 0.081 -2.477 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.516 1.517 -2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.565 2.919 -4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.255 -0.985 -4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.501 2.735 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.188 -1.156 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 95 5.193 1.580 -8.941 1.00 0.00 H new ATOM 1459 N LEU A 96 5.750 3.442 -0.707 1.00 0.00 N ATOM 1460 CA LEU A 96 5.430 3.906 0.632 1.00 0.00 C ATOM 1461 C LEU A 96 3.922 4.141 0.740 1.00 0.00 C ATOM 1462 O LEU A 96 3.386 5.053 0.114 1.00 0.00 O ATOM 1463 CB LEU A 96 6.271 5.134 0.989 1.00 0.00 C ATOM 1464 CG LEU A 96 7.740 4.867 1.324 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.526 6.176 1.422 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.868 4.024 2.595 1.00 0.00 C ATOM 0 H LEU A 96 5.481 4.081 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 96 5.688 3.146 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.231 5.833 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.809 5.631 1.842 1.00 0.00 H new ATOM 0 HG LEU A 96 8.177 4.289 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.567 5.958 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.475 6.703 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.097 6.800 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.922 3.849 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.410 4.553 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.363 3.069 2.450 1.00 0.00 H new ATOM 1478 N PHE A 97 3.281 3.301 1.539 1.00 0.00 N ATOM 1479 CA PHE A 97 1.845 3.405 1.737 1.00 0.00 C ATOM 1480 C PHE A 97 1.518 3.817 3.174 1.00 0.00 C ATOM 1481 O PHE A 97 2.165 3.361 4.116 1.00 0.00 O ATOM 1482 CB PHE A 97 1.255 2.020 1.469 1.00 0.00 C ATOM 1483 CG PHE A 97 1.494 1.505 0.048 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.649 1.863 -0.956 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.552 0.691 -0.211 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.871 1.385 -2.275 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.774 0.214 -1.530 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.929 0.571 -2.534 1.00 0.00 C ATOM 0 H PHE A 97 3.729 2.545 2.057 1.00 0.00 H new ATOM 0 HA PHE A 97 1.431 4.160 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.683 1.311 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.182 2.051 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.191 2.511 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.223 0.407 0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.200 1.668 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.614 -0.433 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.098 0.208 -3.537 1.00 0.00 H new ATOM 1498 N GLN A 98 0.515 4.674 3.297 1.00 0.00 N ATOM 1499 CA GLN A 98 0.095 5.151 4.603 1.00 0.00 C ATOM 1500 C GLN A 98 -1.329 4.681 4.907 1.00 0.00 C ATOM 1501 O GLN A 98 -2.278 5.093 4.242 1.00 0.00 O ATOM 1502 CB GLN A 98 0.199 6.675 4.689 1.00 0.00 C ATOM 1503 CG GLN A 98 0.390 7.131 6.137 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.396 8.413 6.417 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.080 8.952 5.562 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.262 8.871 7.658 1.00 0.00 N ATOM 0 H GLN A 98 -0.019 5.050 2.513 1.00 0.00 H new ATOM 0 HA GLN A 98 0.764 4.731 5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.036 7.021 4.082 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.703 7.128 4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.062 6.344 6.816 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.449 7.300 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.326 8.372 8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.747 9.722 7.943 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.433 3.825 5.913 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.725 3.294 6.314 1.00 0.00 C ATOM 1517 C ALA A 99 -3.484 4.358 7.108 1.00 0.00 C ATOM 1518 O ALA A 99 -3.568 5.511 6.686 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.522 2.005 7.112 1.00 0.00 C ATOM 0 H ALA A 99 -0.643 3.486 6.463 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.326 3.044 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.491 1.607 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.005 1.272 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.925 2.217 7.999 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.019 3.934 8.244 1.00 0.00 N ATOM 1526 CA LYS A 100 -4.769 4.836 9.101 1.00 0.00 C ATOM 1527 C LYS A 100 -4.154 4.831 10.502 1.00 0.00 C ATOM 1528 O LYS A 100 -4.022 5.881 11.129 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.257 4.481 9.081 1.00 0.00 C ATOM 1530 CG LYS A 100 -6.808 4.347 10.502 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.338 4.341 10.499 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.880 2.996 10.011 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.314 3.110 9.665 1.00 0.00 N ATOM 0 H LYS A 100 -3.948 2.977 8.591 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.704 5.858 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.811 5.251 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.404 3.546 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.438 3.427 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.445 5.172 11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.708 4.543 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.707 5.141 9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.315 2.664 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.746 2.241 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.666 2.188 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.851 3.406 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.434 3.816 8.911 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.795 3.638 10.951 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.197 3.482 12.266 1.00 0.00 C ATOM 1549 C ASP A 101 -2.248 2.282 12.251 1.00 0.00 C ATOM 1550 O ASP A 101 -2.006 1.690 11.201 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.266 3.226 13.330 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.495 4.132 13.243 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.290 5.365 13.198 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.613 3.572 13.222 1.00 0.00 O ATOM 0 H ASP A 101 -3.907 2.770 10.428 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.663 4.402 12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.592 2.189 13.254 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.814 3.346 14.314 1.00 0.00 H new ATOM 1559 N GLU A 102 -1.735 1.959 13.430 1.00 0.00 N ATOM 1560 CA GLU A 102 -0.818 0.840 13.565 1.00 0.00 C ATOM 1561 C GLU A 102 -1.543 -0.478 13.287 1.00 0.00 C ATOM 1562 O GLU A 102 -0.912 -1.528 13.185 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.170 0.827 14.952 1.00 0.00 C ATOM 1564 CG GLU A 102 0.765 2.025 15.131 1.00 0.00 C ATOM 1565 CD GLU A 102 1.607 1.878 16.400 1.00 0.00 C ATOM 1566 OE1 GLU A 102 2.185 0.783 16.575 1.00 0.00 O ATOM 1567 OE2 GLU A 102 1.653 2.863 17.168 1.00 0.00 O ATOM 0 H GLU A 102 -1.937 2.453 14.299 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.023 0.957 12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.944 0.847 15.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.389 -0.099 15.088 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.420 2.113 14.264 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.180 2.943 15.183 1.00 0.00 H new ATOM 1574 N ALA A 103 -2.859 -0.379 13.171 1.00 0.00 N ATOM 1575 CA ALA A 103 -3.677 -1.550 12.906 1.00 0.00 C ATOM 1576 C ALA A 103 -3.803 -1.747 11.394 1.00 0.00 C ATOM 1577 O ALA A 103 -3.220 -2.675 10.834 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.037 -1.389 13.588 1.00 0.00 C ATOM 0 H ALA A 103 -3.379 0.494 13.256 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.210 -2.445 13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.650 -2.268 13.389 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.894 -1.282 14.663 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.537 -0.502 13.198 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.568 -0.860 10.775 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.778 -0.925 9.339 1.00 0.00 C ATOM 1586 C GLU A 104 -3.490 -1.351 8.633 1.00 0.00 C ATOM 1587 O GLU A 104 -3.518 -2.193 7.736 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.283 0.414 8.798 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.798 0.267 7.365 1.00 0.00 C ATOM 1590 CD GLU A 104 -7.291 -0.071 7.351 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.614 -1.225 7.706 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -8.073 0.832 6.985 1.00 0.00 O ATOM 0 H GLU A 104 -5.050 -0.092 11.242 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.544 -1.673 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.081 0.791 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.478 1.148 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.626 1.193 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.239 -0.516 6.852 1.00 0.00 H new ATOM 1599 N MET A 105 -2.390 -0.751 9.064 1.00 0.00 N ATOM 1600 CA MET A 105 -1.094 -1.058 8.484 1.00 0.00 C ATOM 1601 C MET A 105 -0.661 -2.484 8.832 1.00 0.00 C ATOM 1602 O MET A 105 -0.479 -3.315 7.944 1.00 0.00 O ATOM 1603 CB MET A 105 -0.052 -0.067 9.008 1.00 0.00 C ATOM 1604 CG MET A 105 0.988 0.254 7.933 1.00 0.00 C ATOM 1605 SD MET A 105 2.414 1.030 8.676 1.00 0.00 S ATOM 1606 CE MET A 105 2.859 -0.219 9.871 1.00 0.00 C ATOM 0 H MET A 105 -2.370 -0.054 9.808 1.00 0.00 H new ATOM 0 HA MET A 105 -1.174 -0.976 7.400 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.546 0.851 9.327 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.443 -0.484 9.885 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.287 -0.660 7.420 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.555 0.914 7.182 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.839 0.010 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.119 -0.237 10.671 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.891 -1.194 9.384 1.00 0.00 H new ATOM 1616 N SER A 106 -0.510 -2.724 10.127 1.00 0.00 N ATOM 1617 CA SER A 106 -0.103 -4.035 10.603 1.00 0.00 C ATOM 1618 C SER A 106 -0.807 -5.127 9.795 1.00 0.00 C ATOM 1619 O SER A 106 -0.203 -6.147 9.467 1.00 0.00 O ATOM 1620 CB SER A 106 -0.407 -4.198 12.093 1.00 0.00 C ATOM 1621 OG SER A 106 0.730 -3.915 12.904 1.00 0.00 O ATOM 0 H SER A 106 -0.662 -2.032 10.861 1.00 0.00 H new ATOM 0 HA SER A 106 0.974 -4.129 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.225 -3.533 12.371 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.745 -5.216 12.285 1.00 0.00 H new ATOM 0 HG SER A 106 0.632 -3.027 13.306 1.00 0.00 H new ATOM 1627 N SER A 107 -2.073 -4.875 9.497 1.00 0.00 N ATOM 1628 CA SER A 107 -2.865 -5.824 8.733 1.00 0.00 C ATOM 1629 C SER A 107 -2.325 -5.927 7.306 1.00 0.00 C ATOM 1630 O SER A 107 -2.078 -7.025 6.809 1.00 0.00 O ATOM 1631 CB SER A 107 -4.341 -5.421 8.715 1.00 0.00 C ATOM 1632 OG SER A 107 -5.166 -6.386 9.362 1.00 0.00 O ATOM 0 H SER A 107 -2.570 -4.027 9.771 1.00 0.00 H new ATOM 0 HA SER A 107 -2.789 -6.799 9.214 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.459 -4.455 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.670 -5.296 7.683 1.00 0.00 H new ATOM 0 HG SER A 107 -6.100 -6.091 9.331 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.158 -4.768 6.685 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.652 -4.714 5.324 1.00 0.00 C ATOM 1640 C TRP A 108 -0.476 -5.687 5.218 1.00 0.00 C ATOM 1641 O TRP A 108 -0.527 -6.647 4.452 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.282 -3.282 4.933 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.384 -2.539 4.176 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.126 -1.508 4.602 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.840 -2.812 2.835 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.024 -1.098 3.638 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.845 -1.917 2.529 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.419 -3.784 1.911 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.512 -1.905 1.298 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.095 -3.759 0.685 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.109 -2.864 0.362 1.00 0.00 C ATOM 0 H TRP A 108 -2.364 -3.859 7.100 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.421 -5.019 4.614 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.034 -2.722 5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.384 -3.305 4.316 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.033 -1.055 5.578 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.695 -0.335 3.723 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.635 -4.494 2.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.296 -1.194 1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -2.809 -4.485 -0.061 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.584 -2.909 -0.607 1.00 0.00 H new ATOM 1662 N LEU A 109 0.557 -5.403 5.999 1.00 0.00 N ATOM 1663 CA LEU A 109 1.744 -6.241 6.002 1.00 0.00 C ATOM 1664 C LEU A 109 1.326 -7.711 6.062 1.00 0.00 C ATOM 1665 O LEU A 109 1.770 -8.520 5.249 1.00 0.00 O ATOM 1666 CB LEU A 109 2.690 -5.824 7.130 1.00 0.00 C ATOM 1667 CG LEU A 109 3.479 -4.533 6.901 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.794 -4.817 6.172 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.630 -3.494 6.168 1.00 0.00 C ATOM 0 H LEU A 109 0.596 -4.605 6.633 1.00 0.00 H new ATOM 0 HA LEU A 109 2.307 -6.108 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.107 -5.713 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.399 -6.634 7.301 1.00 0.00 H new ATOM 0 HG LEU A 109 3.734 -4.111 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.336 -3.883 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.402 -5.497 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.583 -5.274 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.215 -2.586 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.323 -3.892 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.746 -3.262 6.762 1.00 0.00 H new ATOM 1681 N ARG A 110 0.476 -8.012 7.033 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.007 -9.371 7.210 1.00 0.00 C ATOM 1683 C ARG A 110 -0.646 -9.880 5.916 1.00 0.00 C ATOM 1684 O ARG A 110 -0.581 -11.070 5.613 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.033 -9.448 8.343 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.727 -10.811 8.362 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.673 -10.928 9.559 1.00 0.00 C ATOM 1688 NE ARG A 110 -4.030 -10.477 9.179 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.842 -11.150 8.353 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.439 -12.309 7.815 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -6.056 -10.664 8.064 1.00 0.00 N ATOM 0 H ARG A 110 0.109 -7.338 7.705 1.00 0.00 H new ATOM 0 HA ARG A 110 0.848 -9.996 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.538 -9.274 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.775 -8.659 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.286 -10.951 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.980 -11.603 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.708 -11.961 9.905 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.300 -10.326 10.388 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.369 -9.598 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.514 -12.679 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.057 -12.822 7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.363 -9.781 8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.674 -11.177 7.435 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.251 -8.952 5.188 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.902 -9.292 3.934 1.00 0.00 C ATOM 1707 C VAL A 111 -0.850 -9.382 2.827 1.00 0.00 C ATOM 1708 O VAL A 111 -0.738 -10.405 2.154 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.007 -8.279 3.628 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.848 -8.731 2.432 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.887 -8.039 4.857 1.00 0.00 C ATOM 0 H VAL A 111 -1.304 -7.966 5.443 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.384 -10.267 4.005 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.532 -7.333 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.626 -7.994 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.209 -8.828 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.308 -9.694 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.664 -7.315 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.349 -8.978 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.276 -7.653 5.673 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.105 -8.297 2.672 1.00 0.00 N ATOM 1722 CA VAL A 112 0.934 -8.241 1.658 1.00 0.00 C ATOM 1723 C VAL A 112 1.829 -9.476 1.782 1.00 0.00 C ATOM 1724 O VAL A 112 2.248 -10.046 0.776 1.00 0.00 O ATOM 1725 CB VAL A 112 1.709 -6.927 1.775 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.881 -6.893 0.793 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.785 -5.725 1.568 1.00 0.00 C ATOM 0 H VAL A 112 -0.201 -7.450 3.232 1.00 0.00 H new ATOM 0 HA VAL A 112 0.495 -8.256 0.660 1.00 0.00 H new ATOM 0 HB VAL A 112 2.116 -6.867 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.415 -5.949 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.559 -7.719 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.505 -6.987 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.361 -4.804 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.335 -5.778 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.001 -5.736 2.324 1.00 0.00 H new ATOM 1737 N ASN A 113 2.095 -9.852 3.024 1.00 0.00 N ATOM 1738 CA ASN A 113 2.932 -11.009 3.292 1.00 0.00 C ATOM 1739 C ASN A 113 2.163 -12.283 2.938 1.00 0.00 C ATOM 1740 O ASN A 113 2.743 -13.240 2.428 1.00 0.00 O ATOM 1741 CB ASN A 113 3.312 -11.082 4.773 1.00 0.00 C ATOM 1742 CG ASN A 113 4.658 -10.401 5.028 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.707 -11.024 5.036 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.570 -9.090 5.235 1.00 0.00 N ATOM 0 H ASN A 113 1.746 -9.376 3.856 1.00 0.00 H new ATOM 0 HA ASN A 113 3.837 -10.917 2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.539 -10.604 5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.362 -12.124 5.088 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.413 -8.544 5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.660 -8.630 5.215 1.00 0.00 H new ATOM 1751 N ALA A 114 0.869 -12.254 3.222 1.00 0.00 N ATOM 1752 CA ALA A 114 0.015 -13.394 2.940 1.00 0.00 C ATOM 1753 C ALA A 114 -0.189 -13.512 1.428 1.00 0.00 C ATOM 1754 O ALA A 114 -0.623 -14.552 0.936 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.306 -13.243 3.696 1.00 0.00 C ATOM 0 H ALA A 114 0.392 -11.458 3.645 1.00 0.00 H new ATOM 0 HA ALA A 114 0.483 -14.317 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.947 -14.099 3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.109 -13.194 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.805 -12.328 3.377 1.00 0.00 H new ATOM 1761 N ALA A 115 0.135 -12.431 0.734 1.00 0.00 N ATOM 1762 CA ALA A 115 -0.007 -12.399 -0.712 1.00 0.00 C ATOM 1763 C ALA A 115 1.304 -12.851 -1.359 1.00 0.00 C ATOM 1764 O ALA A 115 1.293 -13.616 -2.322 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.421 -10.994 -1.154 1.00 0.00 C ATOM 0 H ALA A 115 0.496 -11.570 1.146 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.789 -13.086 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.527 -10.970 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.372 -10.732 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.341 -10.277 -0.848 1.00 0.00 H new ATOM 1771 N ILE A 116 2.401 -12.359 -0.803 1.00 0.00 N ATOM 1772 CA ILE A 116 3.717 -12.702 -1.314 1.00 0.00 C ATOM 1773 C ILE A 116 3.875 -14.224 -1.323 1.00 0.00 C ATOM 1774 O ILE A 116 4.101 -14.822 -2.374 1.00 0.00 O ATOM 1775 CB ILE A 116 4.806 -11.976 -0.521 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.892 -10.504 -0.929 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.153 -12.689 -0.660 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.586 -9.675 0.153 1.00 0.00 C ATOM 0 H ILE A 116 2.406 -11.725 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 116 3.825 -12.363 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 116 4.535 -12.002 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.439 -10.414 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.890 -10.113 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.909 -12.153 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.066 -13.708 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.444 -12.715 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.634 -8.633 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.023 -9.747 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.596 -10.054 0.310 1.00 0.00 H new ATOM 1790 N ALA A 117 3.748 -14.807 -0.140 1.00 0.00 N ATOM 1791 CA ALA A 117 3.874 -16.248 0.001 1.00 0.00 C ATOM 1792 C ALA A 117 2.970 -16.937 -1.024 1.00 0.00 C ATOM 1793 O ALA A 117 3.445 -17.710 -1.855 1.00 0.00 O ATOM 1794 CB ALA A 117 3.538 -16.651 1.438 1.00 0.00 C ATOM 0 H ALA A 117 3.559 -14.308 0.729 1.00 0.00 H new ATOM 0 HA ALA A 117 4.898 -16.565 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.632 -17.732 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.226 -16.157 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.516 -16.351 1.670 1.00 0.00 H new ATOM 1800 N SER A 118 1.684 -16.632 -0.931 1.00 0.00 N ATOM 1801 CA SER A 118 0.710 -17.213 -1.840 1.00 0.00 C ATOM 1802 C SER A 118 1.302 -17.312 -3.247 1.00 0.00 C ATOM 1803 O SER A 118 1.043 -18.275 -3.967 1.00 0.00 O ATOM 1804 CB SER A 118 -0.580 -16.391 -1.863 1.00 0.00 C ATOM 1805 OG SER A 118 -1.739 -17.218 -1.908 1.00 0.00 O ATOM 0 H SER A 118 1.294 -15.990 -0.241 1.00 0.00 H new ATOM 0 HA SER A 118 0.465 -18.214 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.621 -15.757 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.573 -15.729 -2.729 1.00 0.00 H new ATOM 0 HG SER A 118 -2.542 -16.656 -1.920 1.00 0.00 H new