USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 894 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 101 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.9!) USER MOD Set 1.2: A 105 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 32 MET CE :methyl -166:sc= -1.7 (180deg=-2.22) USER MOD Set 2.2: A 106 LYS NZ :NH3+ 148:sc= 0.0801 (180deg=0) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.175 K(o=-0.65,f=-3.6!) USER MOD Set 3.2: A 28 MET CE :methyl -137:sc= -0.478 (180deg=-2.41!) USER MOD Single : A 12 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.041) USER MOD Single : A 14 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-8!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000582) USER MOD Single : A 26 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 30 SER OG : rot 84:sc= 1.34 USER MOD Single : A 36 GLN : amide:sc= 0.996! K(o=1!,f=-0.45) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 52 SER OG : rot 87:sc= 1.32 USER MOD Single : A 54 HIS : no HE2:sc= -1.05 K(o=-1,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.012 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 75 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-0.073) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.805 K(o=-0.8,f=-0.06) USER MOD Single : A 95 TYR OH : rot 86:sc= 1.27 USER MOD Single : A 96 THR OG1 : rot -150:sc= -0.14 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 104 ASN : amide:sc= -0.515 K(o=-0.51,f=-8.2!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 112 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc=-0.00351 X(o=-0.0035,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -166:sc= 2.21 (180deg=1.81) USER MOD Single : A 128 GLN : amide:sc= -0.794 K(o=-0.79,f=-4.1!) USER MOD Single : A 129 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -17.487 -7.003 2.886 1.00 0.00 N ATOM 109 CA GLU A 8 -17.125 -7.570 1.594 1.00 0.00 C ATOM 110 C GLU A 8 -16.686 -6.494 0.611 1.00 0.00 C ATOM 111 O GLU A 8 -15.720 -6.682 -0.129 1.00 0.00 O ATOM 112 CB GLU A 8 -18.294 -8.360 1.005 1.00 0.00 C ATOM 113 CG GLU A 8 -18.030 -9.852 0.908 1.00 0.00 C ATOM 114 CD GLU A 8 -19.278 -10.684 1.113 1.00 0.00 C ATOM 115 OE1 GLU A 8 -20.336 -10.330 0.545 1.00 0.00 O ATOM 116 OE2 GLU A 8 -19.209 -11.695 1.840 1.00 0.00 O ATOM 0 HA GLU A 8 -16.284 -8.243 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.179 -8.195 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.519 -7.974 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.605 -10.078 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.285 -10.134 1.652 1.00 0.00 H new ATOM 123 N ALA A 9 -17.372 -5.359 0.620 1.00 0.00 N ATOM 124 CA ALA A 9 -17.089 -4.306 -0.343 1.00 0.00 C ATOM 125 C ALA A 9 -15.723 -3.703 -0.085 1.00 0.00 C ATOM 126 O ALA A 9 -14.995 -3.351 -1.013 1.00 0.00 O ATOM 127 CB ALA A 9 -18.164 -3.233 -0.296 1.00 0.00 C ATOM 0 H ALA A 9 -18.122 -5.146 1.278 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.088 -4.745 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.933 -2.455 -1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.131 -3.676 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.199 -2.797 0.702 1.00 0.00 H new ATOM 133 N ILE A 10 -15.368 -3.617 1.184 1.00 0.00 N ATOM 134 CA ILE A 10 -14.105 -3.015 1.561 1.00 0.00 C ATOM 135 C ILE A 10 -13.021 -4.078 1.697 1.00 0.00 C ATOM 136 O ILE A 10 -11.839 -3.766 1.852 1.00 0.00 O ATOM 137 CB ILE A 10 -14.235 -2.192 2.858 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.285 -3.092 4.091 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.471 -1.305 2.795 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.179 -2.808 5.075 1.00 0.00 C ATOM 0 H ILE A 10 -15.932 -3.954 1.964 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.815 -2.328 0.766 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.350 -1.562 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.247 -2.965 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.224 -4.134 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.552 -0.728 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.388 -0.625 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.359 -1.926 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.270 -3.480 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.214 -2.963 4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.252 -1.776 5.417 1.00 0.00 H new ATOM 152 N ASP A 11 -13.430 -5.337 1.618 1.00 0.00 N ATOM 153 CA ASP A 11 -12.481 -6.440 1.579 1.00 0.00 C ATOM 154 C ASP A 11 -11.949 -6.582 0.168 1.00 0.00 C ATOM 155 O ASP A 11 -10.826 -7.030 -0.049 1.00 0.00 O ATOM 156 CB ASP A 11 -13.131 -7.741 2.036 1.00 0.00 C ATOM 157 CG ASP A 11 -12.197 -8.587 2.878 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.242 -8.031 3.461 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.418 -9.813 2.957 1.00 0.00 O ATOM 0 H ASP A 11 -14.410 -5.619 1.580 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.659 -6.226 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.029 -7.513 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.448 -8.312 1.163 1.00 0.00 H new ATOM 164 N GLN A 12 -12.763 -6.166 -0.792 1.00 0.00 N ATOM 165 CA GLN A 12 -12.324 -6.076 -2.172 1.00 0.00 C ATOM 166 C GLN A 12 -11.278 -4.978 -2.291 1.00 0.00 C ATOM 167 O GLN A 12 -10.329 -5.085 -3.065 1.00 0.00 O ATOM 168 CB GLN A 12 -13.505 -5.788 -3.097 1.00 0.00 C ATOM 169 CG GLN A 12 -14.491 -6.940 -3.186 1.00 0.00 C ATOM 170 CD GLN A 12 -13.948 -8.108 -3.984 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.003 -8.115 -5.215 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.424 -9.109 -3.291 1.00 0.00 N ATOM 0 H GLN A 12 -13.732 -5.886 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.888 -7.029 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.027 -4.899 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.130 -5.562 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.743 -7.277 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.415 -6.589 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.397 -9.065 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.048 -9.923 -3.776 1.00 0.00 H new ATOM 181 N LEU A 13 -11.453 -3.926 -1.495 1.00 0.00 N ATOM 182 CA LEU A 13 -10.459 -2.868 -1.401 1.00 0.00 C ATOM 183 C LEU A 13 -9.215 -3.400 -0.701 1.00 0.00 C ATOM 184 O LEU A 13 -8.095 -3.010 -1.014 1.00 0.00 O ATOM 185 CB LEU A 13 -11.023 -1.665 -0.645 1.00 0.00 C ATOM 186 CG LEU A 13 -12.373 -1.155 -1.154 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.922 -0.086 -0.226 1.00 0.00 C ATOM 188 CD2 LEU A 13 -12.242 -0.614 -2.568 1.00 0.00 C ATOM 0 H LEU A 13 -12.275 -3.786 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.193 -2.541 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.126 -1.932 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.301 -0.850 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.072 -1.992 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.882 0.265 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.055 -0.504 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.223 0.749 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.212 -0.256 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.527 0.209 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.892 -1.406 -3.230 1.00 0.00 H new ATOM 200 N HIS A 14 -9.422 -4.309 0.247 1.00 0.00 N ATOM 201 CA HIS A 14 -8.311 -4.979 0.910 1.00 0.00 C ATOM 202 C HIS A 14 -7.507 -5.763 -0.112 1.00 0.00 C ATOM 203 O HIS A 14 -6.281 -5.805 -0.049 1.00 0.00 O ATOM 204 CB HIS A 14 -8.805 -5.925 2.005 1.00 0.00 C ATOM 205 CG HIS A 14 -9.250 -5.235 3.252 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.170 -5.781 4.117 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.908 -4.033 3.775 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.377 -4.948 5.118 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.624 -3.880 4.936 1.00 0.00 N ATOM 0 H HIS A 14 -10.345 -4.597 0.572 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.684 -4.218 1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.634 -6.515 1.614 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.006 -6.623 2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.621 -6.688 4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.205 -3.328 3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.049 -5.112 5.947 1.00 0.00 H new ATOM 218 N LEU A 15 -8.211 -6.384 -1.054 1.00 0.00 N ATOM 219 CA LEU A 15 -7.578 -7.101 -2.141 1.00 0.00 C ATOM 220 C LEU A 15 -6.717 -6.174 -2.982 1.00 0.00 C ATOM 221 O LEU A 15 -5.593 -6.513 -3.335 1.00 0.00 O ATOM 222 CB LEU A 15 -8.640 -7.752 -3.024 1.00 0.00 C ATOM 223 CG LEU A 15 -8.867 -9.244 -2.807 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.649 -9.913 -2.194 1.00 0.00 C ATOM 225 CD2 LEU A 15 -10.113 -9.483 -1.972 1.00 0.00 C ATOM 0 H LEU A 15 -9.231 -6.401 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.937 -7.870 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.585 -7.234 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.364 -7.595 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.024 -9.702 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.849 -10.975 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.793 -9.789 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.429 -9.455 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.256 -10.554 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.999 -9.000 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.980 -9.067 -2.485 1.00 0.00 H new ATOM 237 N GLU A 16 -7.252 -5.007 -3.301 1.00 0.00 N ATOM 238 CA GLU A 16 -6.526 -4.029 -4.093 1.00 0.00 C ATOM 239 C GLU A 16 -5.325 -3.505 -3.325 1.00 0.00 C ATOM 240 O GLU A 16 -4.280 -3.209 -3.909 1.00 0.00 O ATOM 241 CB GLU A 16 -7.449 -2.877 -4.483 1.00 0.00 C ATOM 242 CG GLU A 16 -8.560 -3.278 -5.434 1.00 0.00 C ATOM 243 CD GLU A 16 -8.476 -2.547 -6.757 1.00 0.00 C ATOM 244 OE1 GLU A 16 -7.630 -2.929 -7.596 1.00 0.00 O ATOM 245 OE2 GLU A 16 -9.246 -1.584 -6.961 1.00 0.00 O ATOM 0 H GLU A 16 -8.189 -4.714 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.168 -4.515 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.891 -2.456 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.855 -2.088 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.513 -4.352 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.524 -3.074 -4.969 1.00 0.00 H new ATOM 252 N TYR A 17 -5.463 -3.421 -2.011 1.00 0.00 N ATOM 253 CA TYR A 17 -4.365 -2.990 -1.166 1.00 0.00 C ATOM 254 C TYR A 17 -3.312 -4.086 -1.145 1.00 0.00 C ATOM 255 O TYR A 17 -2.130 -3.827 -1.339 1.00 0.00 O ATOM 256 CB TYR A 17 -4.863 -2.666 0.255 1.00 0.00 C ATOM 257 CG TYR A 17 -3.859 -1.938 1.137 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.645 -2.521 1.481 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.138 -0.675 1.642 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.736 -1.864 2.289 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.234 -0.010 2.456 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.040 -0.611 2.778 1.00 0.00 C ATOM 263 OH TYR A 17 -1.145 0.049 3.590 1.00 0.00 O ATOM 0 H TYR A 17 -6.322 -3.645 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.927 -2.076 -1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.765 -2.058 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.147 -3.597 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.407 -3.507 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.077 -0.202 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.793 -2.329 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.466 0.974 2.835 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.515 0.920 3.845 1.00 0.00 H new ATOM 273 N ALA A 18 -3.764 -5.318 -0.966 1.00 0.00 N ATOM 274 CA ALA A 18 -2.875 -6.469 -0.918 1.00 0.00 C ATOM 275 C ALA A 18 -2.211 -6.723 -2.268 1.00 0.00 C ATOM 276 O ALA A 18 -1.147 -7.335 -2.334 1.00 0.00 O ATOM 277 CB ALA A 18 -3.645 -7.706 -0.474 1.00 0.00 C ATOM 0 H ALA A 18 -4.751 -5.547 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.089 -6.252 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.971 -8.562 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.065 -7.537 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.451 -7.906 -1.180 1.00 0.00 H new ATOM 283 N LYS A 19 -2.836 -6.262 -3.345 1.00 0.00 N ATOM 284 CA LYS A 19 -2.281 -6.464 -4.674 1.00 0.00 C ATOM 285 C LYS A 19 -1.296 -5.359 -5.042 1.00 0.00 C ATOM 286 O LYS A 19 -0.442 -5.545 -5.906 1.00 0.00 O ATOM 287 CB LYS A 19 -3.400 -6.528 -5.716 1.00 0.00 C ATOM 288 CG LYS A 19 -3.583 -7.905 -6.331 1.00 0.00 C ATOM 289 CD LYS A 19 -4.553 -8.753 -5.525 1.00 0.00 C ATOM 290 CE LYS A 19 -5.610 -9.388 -6.413 1.00 0.00 C ATOM 291 NZ LYS A 19 -6.747 -8.465 -6.676 1.00 0.00 N ATOM 0 H LYS A 19 -3.719 -5.751 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.742 -7.412 -4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.336 -6.220 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.188 -5.811 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.950 -7.802 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.619 -8.410 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.004 -9.533 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.036 -8.135 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.158 -9.684 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.983 -10.296 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.460 -8.950 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.175 -8.175 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.402 -7.624 -7.182 1.00 0.00 H new ATOM 305 N ARG A 20 -1.413 -4.211 -4.390 1.00 0.00 N ATOM 306 CA ARG A 20 -0.565 -3.072 -4.719 1.00 0.00 C ATOM 307 C ARG A 20 0.515 -2.853 -3.666 1.00 0.00 C ATOM 308 O ARG A 20 1.632 -2.444 -3.987 1.00 0.00 O ATOM 309 CB ARG A 20 -1.414 -1.811 -4.890 1.00 0.00 C ATOM 310 CG ARG A 20 -2.022 -1.667 -6.278 1.00 0.00 C ATOM 311 CD ARG A 20 -1.851 -0.255 -6.813 1.00 0.00 C ATOM 312 NE ARG A 20 -3.118 0.477 -6.860 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.213 1.797 -7.038 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.119 2.532 -7.218 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.402 2.387 -7.036 1.00 0.00 N ATOM 0 H ARG A 20 -2.080 -4.043 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.063 -3.291 -5.662 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.215 -1.820 -4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.797 -0.937 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.551 -2.376 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.082 -1.918 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.144 0.286 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.421 -0.297 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.982 -0.054 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.201 2.088 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.198 3.540 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.247 1.832 -6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.471 3.395 -7.172 1.00 0.00 H new ATOM 329 N ALA A 21 0.198 -3.141 -2.414 1.00 0.00 N ATOM 330 CA ALA A 21 1.174 -3.020 -1.341 1.00 0.00 C ATOM 331 C ALA A 21 2.169 -4.166 -1.401 1.00 0.00 C ATOM 332 O ALA A 21 3.257 -4.080 -0.839 1.00 0.00 O ATOM 333 CB ALA A 21 0.492 -2.990 0.015 1.00 0.00 C ATOM 0 H ALA A 21 -0.724 -3.459 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 21 1.708 -2.079 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.244 -2.899 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.186 -2.138 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.072 -3.911 0.159 1.00 0.00 H new ATOM 339 N ALA A 22 1.799 -5.229 -2.107 1.00 0.00 N ATOM 340 CA ALA A 22 2.643 -6.414 -2.184 1.00 0.00 C ATOM 341 C ALA A 22 3.933 -6.134 -2.962 1.00 0.00 C ATOM 342 O ALA A 22 5.024 -6.327 -2.427 1.00 0.00 O ATOM 343 CB ALA A 22 1.888 -7.597 -2.778 1.00 0.00 C ATOM 0 H ALA A 22 0.926 -5.294 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 22 2.924 -6.679 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.547 -8.464 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.024 -7.828 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.552 -7.346 -3.784 1.00 0.00 H new ATOM 349 N PRO A 23 3.851 -5.662 -4.227 1.00 0.00 N ATOM 350 CA PRO A 23 5.047 -5.318 -4.993 1.00 0.00 C ATOM 351 C PRO A 23 5.751 -4.092 -4.427 1.00 0.00 C ATOM 352 O PRO A 23 6.967 -3.959 -4.538 1.00 0.00 O ATOM 353 CB PRO A 23 4.525 -5.049 -6.406 1.00 0.00 C ATOM 354 CG PRO A 23 3.088 -4.709 -6.234 1.00 0.00 C ATOM 355 CD PRO A 23 2.618 -5.457 -5.017 1.00 0.00 C ATOM 0 HA PRO A 23 5.791 -6.114 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.069 -4.231 -6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.649 -5.924 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.956 -3.635 -6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.513 -4.998 -7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.876 -4.886 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.153 -6.406 -5.286 1.00 0.00 H new ATOM 363 N PHE A 24 4.986 -3.210 -3.796 1.00 0.00 N ATOM 364 CA PHE A 24 5.558 -2.032 -3.161 1.00 0.00 C ATOM 365 C PHE A 24 6.426 -2.444 -1.978 1.00 0.00 C ATOM 366 O PHE A 24 7.538 -1.939 -1.803 1.00 0.00 O ATOM 367 CB PHE A 24 4.454 -1.072 -2.711 1.00 0.00 C ATOM 368 CG PHE A 24 4.950 0.290 -2.315 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.146 0.788 -2.812 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.213 1.075 -1.446 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.595 2.041 -2.445 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.656 2.329 -1.078 1.00 0.00 C ATOM 373 CZ PHE A 24 5.849 2.813 -1.579 1.00 0.00 C ATOM 0 H PHE A 24 3.973 -3.288 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 24 6.183 -1.513 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.731 -0.963 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.925 -1.514 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.732 0.189 -3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.280 0.702 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.529 2.416 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.071 2.931 -0.399 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.197 3.795 -1.293 1.00 0.00 H new ATOM 383 N ASN A 25 5.927 -3.381 -1.186 1.00 0.00 N ATOM 384 CA ASN A 25 6.677 -3.892 -0.050 1.00 0.00 C ATOM 385 C ASN A 25 7.864 -4.692 -0.535 1.00 0.00 C ATOM 386 O ASN A 25 8.914 -4.723 0.099 1.00 0.00 O ATOM 387 CB ASN A 25 5.783 -4.762 0.839 1.00 0.00 C ATOM 388 CG ASN A 25 6.017 -4.529 2.320 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.812 -3.671 2.711 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.332 -5.297 3.153 1.00 0.00 N ATOM 0 H ASN A 25 5.006 -3.802 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 25 7.032 -3.048 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.738 -4.558 0.605 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.962 -5.812 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.452 -5.191 4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.684 -5.995 2.787 1.00 0.00 H new ATOM 397 N ASN A 26 7.697 -5.300 -1.695 1.00 0.00 N ATOM 398 CA ASN A 26 8.753 -6.100 -2.301 1.00 0.00 C ATOM 399 C ASN A 26 9.872 -5.188 -2.772 1.00 0.00 C ATOM 400 O ASN A 26 11.053 -5.511 -2.648 1.00 0.00 O ATOM 401 CB ASN A 26 8.205 -6.913 -3.474 1.00 0.00 C ATOM 402 CG ASN A 26 7.904 -8.350 -3.099 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.768 -9.219 -3.172 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.672 -8.609 -2.691 1.00 0.00 N ATOM 0 H ASN A 26 6.837 -5.256 -2.241 1.00 0.00 H new ATOM 0 HA ASN A 26 9.143 -6.795 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.296 -6.440 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.927 -6.898 -4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.412 -9.558 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.982 -7.859 -2.644 1.00 0.00 H new ATOM 411 N TRP A 27 9.486 -4.033 -3.294 1.00 0.00 N ATOM 412 CA TRP A 27 10.443 -3.022 -3.717 1.00 0.00 C ATOM 413 C TRP A 27 11.174 -2.471 -2.499 1.00 0.00 C ATOM 414 O TRP A 27 12.398 -2.384 -2.485 1.00 0.00 O ATOM 415 CB TRP A 27 9.726 -1.891 -4.461 1.00 0.00 C ATOM 416 CG TRP A 27 10.617 -0.738 -4.811 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.427 -0.624 -5.903 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.798 0.463 -4.054 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.095 0.578 -5.872 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.726 1.260 -4.746 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.263 0.937 -2.860 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.130 2.507 -4.280 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.663 2.173 -2.396 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.589 2.945 -3.105 1.00 0.00 C ATOM 0 H TRP A 27 8.510 -3.772 -3.435 1.00 0.00 H new ATOM 0 HA TRP A 27 11.167 -3.476 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.288 -2.291 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.903 -1.528 -3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.529 -1.369 -6.678 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.757 0.907 -6.574 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.547 0.348 -2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.844 3.106 -4.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.255 2.551 -1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.883 3.908 -2.715 1.00 0.00 H new ATOM 435 N MET A 28 10.406 -2.121 -1.472 1.00 0.00 N ATOM 436 CA MET A 28 10.958 -1.547 -0.251 1.00 0.00 C ATOM 437 C MET A 28 11.938 -2.504 0.413 1.00 0.00 C ATOM 438 O MET A 28 13.009 -2.097 0.857 1.00 0.00 O ATOM 439 CB MET A 28 9.830 -1.199 0.719 1.00 0.00 C ATOM 440 CG MET A 28 9.206 0.165 0.467 1.00 0.00 C ATOM 441 SD MET A 28 8.082 0.663 1.783 1.00 0.00 S ATOM 442 CE MET A 28 6.669 -0.378 1.426 1.00 0.00 C ATOM 0 H MET A 28 9.391 -2.226 -1.462 1.00 0.00 H new ATOM 0 HA MET A 28 11.499 -0.639 -0.518 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.055 -1.962 0.649 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.216 -1.229 1.738 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.996 0.909 0.367 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.666 0.145 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.753 0.205 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.746 -0.760 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.646 -1.213 2.126 1.00 0.00 H new ATOM 452 N GLU A 29 11.581 -3.783 0.444 1.00 0.00 N ATOM 453 CA GLU A 29 12.398 -4.800 1.094 1.00 0.00 C ATOM 454 C GLU A 29 13.671 -5.073 0.306 1.00 0.00 C ATOM 455 O GLU A 29 14.625 -5.639 0.832 1.00 0.00 O ATOM 456 CB GLU A 29 11.604 -6.094 1.262 1.00 0.00 C ATOM 457 CG GLU A 29 10.632 -6.055 2.425 1.00 0.00 C ATOM 458 CD GLU A 29 11.283 -6.415 3.743 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.138 -5.641 4.221 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.933 -7.469 4.312 1.00 0.00 O ATOM 0 H GLU A 29 10.724 -4.142 0.023 1.00 0.00 H new ATOM 0 HA GLU A 29 12.679 -4.422 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.053 -6.296 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.298 -6.922 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.200 -5.057 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.811 -6.744 2.230 1.00 0.00 H new ATOM 467 N SER A 30 13.678 -4.679 -0.956 1.00 0.00 N ATOM 468 CA SER A 30 14.868 -4.814 -1.777 1.00 0.00 C ATOM 469 C SER A 30 15.684 -3.527 -1.734 1.00 0.00 C ATOM 470 O SER A 30 16.905 -3.556 -1.610 1.00 0.00 O ATOM 471 CB SER A 30 14.486 -5.160 -3.219 1.00 0.00 C ATOM 472 OG SER A 30 13.578 -6.250 -3.261 1.00 0.00 O ATOM 0 H SER A 30 12.877 -4.265 -1.432 1.00 0.00 H new ATOM 0 HA SER A 30 15.477 -5.626 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.037 -4.290 -3.698 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.383 -5.408 -3.786 1.00 0.00 H new ATOM 0 HG SER A 30 12.665 -5.921 -3.126 1.00 0.00 H new ATOM 478 N ALA A 31 14.994 -2.394 -1.803 1.00 0.00 N ATOM 479 CA ALA A 31 15.657 -1.097 -1.858 1.00 0.00 C ATOM 480 C ALA A 31 16.251 -0.710 -0.513 1.00 0.00 C ATOM 481 O ALA A 31 17.447 -0.448 -0.413 1.00 0.00 O ATOM 482 CB ALA A 31 14.687 -0.026 -2.320 1.00 0.00 C ATOM 0 H ALA A 31 13.975 -2.348 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 31 16.474 -1.179 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.198 0.936 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.315 -0.276 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.851 0.033 -1.623 1.00 0.00 H new ATOM 488 N MET A 32 15.418 -0.683 0.521 1.00 0.00 N ATOM 489 CA MET A 32 15.860 -0.266 1.847 1.00 0.00 C ATOM 490 C MET A 32 16.928 -1.210 2.378 1.00 0.00 C ATOM 491 O MET A 32 17.865 -0.785 3.052 1.00 0.00 O ATOM 492 CB MET A 32 14.685 -0.220 2.821 1.00 0.00 C ATOM 493 CG MET A 32 14.904 0.731 3.988 1.00 0.00 C ATOM 494 SD MET A 32 14.510 -0.016 5.580 1.00 0.00 S ATOM 495 CE MET A 32 12.839 0.576 5.818 1.00 0.00 C ATOM 0 H MET A 32 14.434 -0.945 0.467 1.00 0.00 H new ATOM 0 HA MET A 32 16.283 0.735 1.758 1.00 0.00 H new ATOM 0 HB2 MET A 32 13.787 0.080 2.281 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.504 -1.223 3.208 1.00 0.00 H new ATOM 0 HG2 MET A 32 15.943 1.060 3.993 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.289 1.620 3.847 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.540 0.415 6.854 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.794 1.641 5.588 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.163 0.033 5.157 1.00 0.00 H new ATOM 505 N GLU A 33 16.793 -2.484 2.050 1.00 0.00 N ATOM 506 CA GLU A 33 17.728 -3.490 2.520 1.00 0.00 C ATOM 507 C GLU A 33 19.069 -3.332 1.828 1.00 0.00 C ATOM 508 O GLU A 33 20.113 -3.462 2.463 1.00 0.00 O ATOM 509 CB GLU A 33 17.177 -4.894 2.287 1.00 0.00 C ATOM 510 CG GLU A 33 16.558 -5.533 3.525 1.00 0.00 C ATOM 511 CD GLU A 33 16.632 -4.650 4.759 1.00 0.00 C ATOM 512 OE1 GLU A 33 17.692 -4.638 5.424 1.00 0.00 O ATOM 513 OE2 GLU A 33 15.625 -3.981 5.079 1.00 0.00 O ATOM 0 H GLU A 33 16.044 -2.846 1.460 1.00 0.00 H new ATOM 0 HA GLU A 33 17.867 -3.349 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.425 -4.852 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.982 -5.533 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.514 -5.771 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.065 -6.476 3.731 1.00 0.00 H new ATOM 520 N ASP A 34 19.044 -3.030 0.533 1.00 0.00 N ATOM 521 CA ASP A 34 20.278 -2.832 -0.218 1.00 0.00 C ATOM 522 C ASP A 34 20.908 -1.506 0.176 1.00 0.00 C ATOM 523 O ASP A 34 22.124 -1.394 0.289 1.00 0.00 O ATOM 524 CB ASP A 34 20.019 -2.857 -1.729 1.00 0.00 C ATOM 525 CG ASP A 34 21.286 -3.083 -2.545 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.316 -2.436 -2.263 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.251 -3.902 -3.488 1.00 0.00 O ATOM 0 H ASP A 34 18.190 -2.918 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 34 20.959 -3.649 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.301 -3.645 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.563 -1.914 -2.030 1.00 0.00 H new ATOM 532 N LEU A 35 20.064 -0.508 0.409 1.00 0.00 N ATOM 533 CA LEU A 35 20.538 0.815 0.795 1.00 0.00 C ATOM 534 C LEU A 35 21.185 0.767 2.176 1.00 0.00 C ATOM 535 O LEU A 35 22.115 1.522 2.463 1.00 0.00 O ATOM 536 CB LEU A 35 19.381 1.823 0.781 1.00 0.00 C ATOM 537 CG LEU A 35 19.329 2.742 -0.449 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.473 1.938 -1.731 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.031 3.537 -0.471 1.00 0.00 C ATOM 0 H LEU A 35 19.050 -0.590 0.338 1.00 0.00 H new ATOM 0 HA LEU A 35 21.288 1.138 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.441 1.274 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.449 2.443 1.675 1.00 0.00 H new ATOM 0 HG LEU A 35 20.164 3.440 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.433 2.610 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.428 1.413 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.661 1.214 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.014 4.182 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.185 2.851 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.964 4.149 0.429 1.00 0.00 H new ATOM 551 N GLN A 36 20.688 -0.130 3.019 1.00 0.00 N ATOM 552 CA GLN A 36 21.264 -0.342 4.337 1.00 0.00 C ATOM 553 C GLN A 36 22.512 -1.207 4.239 1.00 0.00 C ATOM 554 O GLN A 36 23.504 -0.970 4.929 1.00 0.00 O ATOM 555 CB GLN A 36 20.252 -1.012 5.259 1.00 0.00 C ATOM 556 CG GLN A 36 19.887 -0.160 6.458 1.00 0.00 C ATOM 557 CD GLN A 36 18.411 -0.217 6.791 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.025 -0.175 7.956 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.573 -0.315 5.776 1.00 0.00 N ATOM 0 H GLN A 36 19.885 -0.723 2.810 1.00 0.00 H new ATOM 0 HA GLN A 36 21.534 0.630 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.348 -1.239 4.693 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.658 -1.962 5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.463 -0.491 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.171 0.874 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.930 -0.347 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.568 -0.358 5.947 1.00 0.00 H new ATOM 568 N ASP A 37 22.438 -2.221 3.389 1.00 0.00 N ATOM 569 CA ASP A 37 23.552 -3.131 3.153 1.00 0.00 C ATOM 570 C ASP A 37 24.756 -2.367 2.618 1.00 0.00 C ATOM 571 O ASP A 37 24.626 -1.526 1.726 1.00 0.00 O ATOM 572 CB ASP A 37 23.128 -4.217 2.160 1.00 0.00 C ATOM 573 CG ASP A 37 24.231 -5.209 1.849 1.00 0.00 C ATOM 574 OD1 ASP A 37 24.854 -5.741 2.793 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.464 -5.479 0.653 1.00 0.00 O ATOM 0 H ASP A 37 21.604 -2.437 2.843 1.00 0.00 H new ATOM 0 HA ASP A 37 23.834 -3.600 4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.270 -4.754 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.802 -3.745 1.233 1.00 0.00 H new ATOM 580 N MET A 38 25.921 -2.641 3.176 1.00 0.00 N ATOM 581 CA MET A 38 27.125 -1.933 2.784 1.00 0.00 C ATOM 582 C MET A 38 27.693 -2.514 1.505 1.00 0.00 C ATOM 583 O MET A 38 28.201 -3.638 1.483 1.00 0.00 O ATOM 584 CB MET A 38 28.176 -1.989 3.886 1.00 0.00 C ATOM 585 CG MET A 38 28.816 -0.643 4.187 1.00 0.00 C ATOM 586 SD MET A 38 28.760 -0.223 5.941 1.00 0.00 S ATOM 587 CE MET A 38 30.320 -0.907 6.496 1.00 0.00 C ATOM 0 H MET A 38 26.059 -3.346 3.900 1.00 0.00 H new ATOM 0 HA MET A 38 26.856 -0.891 2.613 1.00 0.00 H new ATOM 0 HB2 MET A 38 27.716 -2.375 4.796 1.00 0.00 H new ATOM 0 HB3 MET A 38 28.954 -2.696 3.598 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.854 -0.656 3.853 1.00 0.00 H new ATOM 0 HG3 MET A 38 28.307 0.133 3.615 1.00 0.00 H new ATOM 0 HE1 MET A 38 30.436 -0.729 7.565 1.00 0.00 H new ATOM 0 HE2 MET A 38 30.336 -1.980 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 38 31.139 -0.429 5.958 1.00 0.00 H new ATOM 597 N PHE A 39 27.591 -1.740 0.445 1.00 0.00 N ATOM 598 CA PHE A 39 28.116 -2.140 -0.848 1.00 0.00 C ATOM 599 C PHE A 39 29.636 -2.160 -0.813 1.00 0.00 C ATOM 600 O PHE A 39 30.272 -1.206 -0.357 1.00 0.00 O ATOM 601 CB PHE A 39 27.621 -1.192 -1.960 1.00 0.00 C ATOM 602 CG PHE A 39 28.140 0.218 -1.850 1.00 0.00 C ATOM 603 CD1 PHE A 39 27.655 1.081 -0.881 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.121 0.677 -2.719 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.136 2.371 -0.780 1.00 0.00 C ATOM 606 CE2 PHE A 39 29.605 1.965 -2.621 1.00 0.00 C ATOM 607 CZ PHE A 39 29.111 2.814 -1.652 1.00 0.00 C ATOM 0 H PHE A 39 27.146 -0.822 0.452 1.00 0.00 H new ATOM 0 HA PHE A 39 27.753 -3.144 -1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 39 27.915 -1.600 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.531 -1.168 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 39 26.892 0.741 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.510 0.018 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.750 3.033 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.370 2.308 -3.302 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.486 3.824 -1.576 1.00 0.00 H new ATOM 617 N ILE A 40 30.217 -3.253 -1.260 1.00 0.00 N ATOM 618 CA ILE A 40 31.653 -3.330 -1.401 1.00 0.00 C ATOM 619 C ILE A 40 32.008 -3.282 -2.881 1.00 0.00 C ATOM 620 O ILE A 40 31.392 -3.957 -3.709 1.00 0.00 O ATOM 621 CB ILE A 40 32.251 -4.585 -0.705 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.519 -4.202 0.063 1.00 0.00 C ATOM 623 CG2 ILE A 40 32.549 -5.712 -1.689 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.261 -3.295 1.247 1.00 0.00 C ATOM 0 H ILE A 40 29.716 -4.099 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 40 32.099 -2.474 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 40 31.500 -4.960 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 34.010 -5.110 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.211 -3.707 -0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.965 -6.564 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 40 31.628 -6.012 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 40 33.268 -5.366 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.205 -3.066 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 40 32.798 -2.370 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 40 32.594 -3.795 1.950 1.00 0.00 H new ATOM 636 N VAL A 41 32.957 -2.434 -3.215 1.00 0.00 N ATOM 637 CA VAL A 41 33.342 -2.248 -4.598 1.00 0.00 C ATOM 638 C VAL A 41 34.845 -2.439 -4.757 1.00 0.00 C ATOM 639 O VAL A 41 35.641 -1.544 -4.473 1.00 0.00 O ATOM 640 CB VAL A 41 32.901 -0.861 -5.128 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.424 -0.878 -5.458 1.00 0.00 C ATOM 642 CG2 VAL A 41 33.198 0.241 -4.120 1.00 0.00 C ATOM 0 H VAL A 41 33.476 -1.863 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 41 32.830 -3.002 -5.196 1.00 0.00 H new ATOM 0 HB VAL A 41 33.472 -0.650 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.123 0.101 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.230 -1.631 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 41 30.853 -1.116 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 41 32.876 1.201 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 41 32.662 0.040 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 41 34.269 0.273 -3.921 1.00 0.00 H new ATOM 652 N HIS A 42 35.226 -3.630 -5.182 1.00 0.00 N ATOM 653 CA HIS A 42 36.631 -3.970 -5.358 1.00 0.00 C ATOM 654 C HIS A 42 37.177 -3.319 -6.620 1.00 0.00 C ATOM 655 O HIS A 42 38.384 -3.124 -6.763 1.00 0.00 O ATOM 656 CB HIS A 42 36.806 -5.486 -5.451 1.00 0.00 C ATOM 657 CG HIS A 42 36.768 -6.187 -4.132 1.00 0.00 C ATOM 658 ND1 HIS A 42 35.854 -7.168 -3.826 1.00 0.00 N ATOM 659 CD2 HIS A 42 37.550 -6.050 -3.039 1.00 0.00 C ATOM 660 CE1 HIS A 42 36.074 -7.603 -2.601 1.00 0.00 C ATOM 661 NE2 HIS A 42 37.100 -6.942 -2.098 1.00 0.00 N ATOM 0 H HIS A 42 34.579 -4.384 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 42 37.183 -3.599 -4.494 1.00 0.00 H new ATOM 0 HB2 HIS A 42 36.022 -5.893 -6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.757 -5.702 -5.938 1.00 0.00 H new ATOM 0 HD2 HIS A 42 38.377 -5.365 -2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.509 -8.371 -2.094 1.00 0.00 H new ATOM 0 HE2 HIS A 42 37.493 -7.072 -1.166 1.00 0.00 H new ATOM 670 N THR A 43 36.280 -2.995 -7.535 1.00 0.00 N ATOM 671 CA THR A 43 36.668 -2.409 -8.805 1.00 0.00 C ATOM 672 C THR A 43 35.777 -1.217 -9.145 1.00 0.00 C ATOM 673 O THR A 43 34.639 -1.129 -8.685 1.00 0.00 O ATOM 674 CB THR A 43 36.596 -3.460 -9.931 1.00 0.00 C ATOM 675 OG1 THR A 43 35.625 -4.466 -9.609 1.00 0.00 O ATOM 676 CG2 THR A 43 37.946 -4.121 -10.133 1.00 0.00 C ATOM 0 H THR A 43 35.275 -3.129 -7.421 1.00 0.00 H new ATOM 0 HA THR A 43 37.697 -2.060 -8.716 1.00 0.00 H new ATOM 0 HB THR A 43 36.305 -2.951 -10.850 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.587 -5.127 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.874 -4.859 -10.932 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.684 -3.366 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.252 -4.614 -9.210 1.00 0.00 H new ATOM 684 N ILE A 44 36.297 -0.305 -9.955 1.00 0.00 N ATOM 685 CA ILE A 44 35.572 0.909 -10.313 1.00 0.00 C ATOM 686 C ILE A 44 34.469 0.602 -11.322 1.00 0.00 C ATOM 687 O ILE A 44 33.505 1.358 -11.461 1.00 0.00 O ATOM 688 CB ILE A 44 36.527 1.990 -10.883 1.00 0.00 C ATOM 689 CG1 ILE A 44 36.664 1.871 -12.404 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.894 1.875 -10.232 1.00 0.00 C ATOM 691 CD1 ILE A 44 36.331 3.148 -13.142 1.00 0.00 C ATOM 0 H ILE A 44 37.222 -0.382 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 44 35.119 1.300 -9.402 1.00 0.00 H new ATOM 0 HB ILE A 44 36.098 2.966 -10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 44 37.685 1.576 -12.647 1.00 0.00 H new ATOM 0 HG13 ILE A 44 36.009 1.075 -12.758 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.556 2.639 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.797 2.016 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 44 38.311 0.888 -10.433 1.00 0.00 H new ATOM 0 HD11 ILE A 44 36.450 2.990 -14.214 1.00 0.00 H new ATOM 0 HD12 ILE A 44 35.301 3.433 -12.929 1.00 0.00 H new ATOM 0 HD13 ILE A 44 37.002 3.942 -12.816 1.00 0.00 H new ATOM 703 N GLU A 45 34.625 -0.514 -12.017 1.00 0.00 N ATOM 704 CA GLU A 45 33.660 -0.954 -13.015 1.00 0.00 C ATOM 705 C GLU A 45 32.272 -1.166 -12.412 1.00 0.00 C ATOM 706 O GLU A 45 31.268 -0.872 -13.051 1.00 0.00 O ATOM 707 CB GLU A 45 34.138 -2.242 -13.675 1.00 0.00 C ATOM 708 CG GLU A 45 34.499 -2.071 -15.137 1.00 0.00 C ATOM 709 CD GLU A 45 33.683 -2.964 -16.041 1.00 0.00 C ATOM 710 OE1 GLU A 45 33.369 -4.103 -15.634 1.00 0.00 O ATOM 711 OE2 GLU A 45 33.353 -2.532 -17.165 1.00 0.00 O ATOM 0 H GLU A 45 35.423 -1.140 -11.906 1.00 0.00 H new ATOM 0 HA GLU A 45 33.581 -0.165 -13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.007 -2.617 -13.135 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.358 -2.998 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.348 -1.031 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.558 -2.290 -15.275 1.00 0.00 H new ATOM 718 N GLU A 46 32.206 -1.673 -11.191 1.00 0.00 N ATOM 719 CA GLU A 46 30.912 -1.871 -10.549 1.00 0.00 C ATOM 720 C GLU A 46 30.462 -0.597 -9.858 1.00 0.00 C ATOM 721 O GLU A 46 29.312 -0.477 -9.443 1.00 0.00 O ATOM 722 CB GLU A 46 30.958 -3.031 -9.556 1.00 0.00 C ATOM 723 CG GLU A 46 32.059 -2.903 -8.518 1.00 0.00 C ATOM 724 CD GLU A 46 32.851 -4.179 -8.349 1.00 0.00 C ATOM 725 OE1 GLU A 46 32.487 -5.201 -8.964 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.852 -4.165 -7.605 1.00 0.00 O ATOM 0 H GLU A 46 33.013 -1.950 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 46 30.188 -2.123 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 46 29.997 -3.100 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 46 31.095 -3.963 -10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.733 -2.097 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.620 -2.623 -7.561 1.00 0.00 H new ATOM 733 N ILE A 47 31.362 0.366 -9.763 1.00 0.00 N ATOM 734 CA ILE A 47 31.026 1.644 -9.176 1.00 0.00 C ATOM 735 C ILE A 47 30.084 2.397 -10.103 1.00 0.00 C ATOM 736 O ILE A 47 29.048 2.888 -9.671 1.00 0.00 O ATOM 737 CB ILE A 47 32.283 2.496 -8.901 1.00 0.00 C ATOM 738 CG1 ILE A 47 33.003 1.985 -7.654 1.00 0.00 C ATOM 739 CG2 ILE A 47 31.921 3.966 -8.737 1.00 0.00 C ATOM 740 CD1 ILE A 47 34.274 2.739 -7.342 1.00 0.00 C ATOM 0 H ILE A 47 32.327 0.285 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 47 30.538 1.457 -8.220 1.00 0.00 H new ATOM 0 HB ILE A 47 32.951 2.405 -9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.329 2.055 -6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.239 0.929 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 47 32.825 4.544 -8.544 1.00 0.00 H new ATOM 0 HG22 ILE A 47 31.447 4.328 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.232 4.080 -7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 47 34.733 2.323 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 47 34.966 2.648 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.042 3.791 -7.177 1.00 0.00 H new ATOM 752 N GLU A 48 30.424 2.433 -11.388 1.00 0.00 N ATOM 753 CA GLU A 48 29.619 3.152 -12.369 1.00 0.00 C ATOM 754 C GLU A 48 28.221 2.552 -12.449 1.00 0.00 C ATOM 755 O GLU A 48 27.240 3.252 -12.701 1.00 0.00 O ATOM 756 CB GLU A 48 30.282 3.137 -13.750 1.00 0.00 C ATOM 757 CG GLU A 48 31.246 1.984 -13.971 1.00 0.00 C ATOM 758 CD GLU A 48 31.140 1.393 -15.364 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.009 1.187 -15.843 1.00 0.00 O ATOM 760 OE2 GLU A 48 32.188 1.121 -15.977 1.00 0.00 O ATOM 0 H GLU A 48 31.249 1.974 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 48 29.541 4.189 -12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 48 29.504 3.095 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 30.818 4.075 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 48 32.266 2.331 -13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 48 31.050 1.205 -13.234 1.00 0.00 H new ATOM 767 N GLY A 49 28.140 1.255 -12.199 1.00 0.00 N ATOM 768 CA GLY A 49 26.858 0.584 -12.170 1.00 0.00 C ATOM 769 C GLY A 49 26.120 0.888 -10.888 1.00 0.00 C ATOM 770 O GLY A 49 24.920 1.169 -10.900 1.00 0.00 O ATOM 0 H GLY A 49 28.942 0.653 -12.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.258 0.900 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.004 -0.492 -12.264 1.00 0.00 H new ATOM 774 N LEU A 50 26.854 0.852 -9.782 1.00 0.00 N ATOM 775 CA LEU A 50 26.313 1.191 -8.469 1.00 0.00 C ATOM 776 C LEU A 50 25.695 2.587 -8.467 1.00 0.00 C ATOM 777 O LEU A 50 24.607 2.790 -7.924 1.00 0.00 O ATOM 778 CB LEU A 50 27.421 1.123 -7.415 1.00 0.00 C ATOM 779 CG LEU A 50 27.124 0.269 -6.178 1.00 0.00 C ATOM 780 CD1 LEU A 50 25.744 -0.370 -6.254 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.195 -0.795 -6.015 1.00 0.00 C ATOM 0 H LEU A 50 27.839 0.588 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 50 25.532 0.469 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.323 0.737 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.644 2.138 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 50 27.132 0.923 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.570 -0.968 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.985 0.410 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.687 -1.010 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 50 27.977 -1.398 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.210 -1.434 -6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.168 -0.317 -5.896 1.00 0.00 H new ATOM 793 N ILE A 51 26.392 3.547 -9.068 1.00 0.00 N ATOM 794 CA ILE A 51 25.883 4.920 -9.137 1.00 0.00 C ATOM 795 C ILE A 51 24.598 4.969 -9.961 1.00 0.00 C ATOM 796 O ILE A 51 23.603 5.562 -9.541 1.00 0.00 O ATOM 797 CB ILE A 51 26.896 5.923 -9.746 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.324 5.649 -9.269 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.491 7.346 -9.399 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.517 5.760 -7.773 1.00 0.00 C ATOM 0 H ILE A 51 27.300 3.406 -9.510 1.00 0.00 H new ATOM 0 HA ILE A 51 25.697 5.220 -8.106 1.00 0.00 H new ATOM 0 HB ILE A 51 26.881 5.795 -10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.614 4.647 -9.587 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.999 6.348 -9.763 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.208 8.044 -9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.499 7.550 -9.801 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.475 7.466 -8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.557 5.550 -7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.262 6.768 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 51 27.871 5.041 -7.268 1.00 0.00 H new ATOM 812 N SER A 52 24.623 4.324 -11.119 1.00 0.00 N ATOM 813 CA SER A 52 23.470 4.304 -12.013 1.00 0.00 C ATOM 814 C SER A 52 22.275 3.620 -11.354 1.00 0.00 C ATOM 815 O SER A 52 21.125 3.970 -11.622 1.00 0.00 O ATOM 816 CB SER A 52 23.832 3.601 -13.319 1.00 0.00 C ATOM 817 OG SER A 52 24.995 4.177 -13.895 1.00 0.00 O ATOM 0 H SER A 52 25.431 3.806 -11.464 1.00 0.00 H new ATOM 0 HA SER A 52 23.189 5.334 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.000 2.540 -13.132 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.000 3.673 -14.019 1.00 0.00 H new ATOM 0 HG SER A 52 25.792 3.746 -13.522 1.00 0.00 H new ATOM 823 N ALA A 53 22.554 2.662 -10.475 1.00 0.00 N ATOM 824 CA ALA A 53 21.505 1.975 -9.732 1.00 0.00 C ATOM 825 C ALA A 53 20.766 2.940 -8.807 1.00 0.00 C ATOM 826 O ALA A 53 19.584 2.762 -8.529 1.00 0.00 O ATOM 827 CB ALA A 53 22.092 0.819 -8.934 1.00 0.00 C ATOM 0 H ALA A 53 23.499 2.344 -10.260 1.00 0.00 H new ATOM 0 HA ALA A 53 20.786 1.578 -10.449 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.297 0.315 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.567 0.112 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.833 1.201 -8.232 1.00 0.00 H new ATOM 833 N HIS A 54 21.467 3.966 -8.333 1.00 0.00 N ATOM 834 CA HIS A 54 20.846 4.983 -7.489 1.00 0.00 C ATOM 835 C HIS A 54 20.251 6.090 -8.353 1.00 0.00 C ATOM 836 O HIS A 54 19.311 6.771 -7.945 1.00 0.00 O ATOM 837 CB HIS A 54 21.860 5.568 -6.504 1.00 0.00 C ATOM 838 CG HIS A 54 21.345 5.682 -5.095 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.635 4.679 -4.467 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.459 6.679 -4.181 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.340 5.056 -3.235 1.00 0.00 C ATOM 842 NE2 HIS A 54 20.829 6.262 -3.040 1.00 0.00 N ATOM 0 H HIS A 54 22.459 4.115 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 54 20.047 4.512 -6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.754 4.944 -6.504 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.161 6.556 -6.852 1.00 0.00 H new ATOM 0 HD1 HIS A 54 20.378 3.786 -4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.956 7.627 -4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.791 4.473 -2.511 1.00 0.00 H new ATOM 851 N ASP A 55 20.808 6.255 -9.548 1.00 0.00 N ATOM 852 CA ASP A 55 20.294 7.222 -10.513 1.00 0.00 C ATOM 853 C ASP A 55 18.898 6.822 -10.968 1.00 0.00 C ATOM 854 O ASP A 55 17.958 7.611 -10.887 1.00 0.00 O ATOM 855 CB ASP A 55 21.232 7.325 -11.723 1.00 0.00 C ATOM 856 CG ASP A 55 20.788 8.370 -12.734 1.00 0.00 C ATOM 857 OD1 ASP A 55 19.769 8.150 -13.421 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.471 9.412 -12.856 1.00 0.00 O ATOM 0 H ASP A 55 21.619 5.729 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 55 20.242 8.197 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.237 7.567 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.289 6.354 -12.215 1.00 0.00 H new ATOM 863 N GLN A 56 18.767 5.585 -11.438 1.00 0.00 N ATOM 864 CA GLN A 56 17.471 5.062 -11.856 1.00 0.00 C ATOM 865 C GLN A 56 16.553 4.913 -10.654 1.00 0.00 C ATOM 866 O GLN A 56 15.334 4.955 -10.785 1.00 0.00 O ATOM 867 CB GLN A 56 17.636 3.716 -12.572 1.00 0.00 C ATOM 868 CG GLN A 56 18.120 2.592 -11.667 1.00 0.00 C ATOM 869 CD GLN A 56 17.656 1.226 -12.132 1.00 0.00 C ATOM 870 OE1 GLN A 56 16.500 0.850 -11.942 1.00 0.00 O ATOM 871 NE2 GLN A 56 18.554 0.477 -12.744 1.00 0.00 N ATOM 0 H GLN A 56 19.540 4.928 -11.539 1.00 0.00 H new ATOM 0 HA GLN A 56 17.022 5.768 -12.555 1.00 0.00 H new ATOM 0 HB2 GLN A 56 16.680 3.430 -13.011 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.341 3.837 -13.394 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.209 2.607 -11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 56 17.761 2.767 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.502 0.827 -12.881 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.300 -0.452 -13.080 1.00 0.00 H new ATOM 880 N PHE A 57 17.155 4.777 -9.482 1.00 0.00 N ATOM 881 CA PHE A 57 16.409 4.655 -8.241 1.00 0.00 C ATOM 882 C PHE A 57 15.658 5.957 -7.957 1.00 0.00 C ATOM 883 O PHE A 57 14.520 5.945 -7.491 1.00 0.00 O ATOM 884 CB PHE A 57 17.368 4.310 -7.095 1.00 0.00 C ATOM 885 CG PHE A 57 16.755 4.378 -5.729 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.150 3.266 -5.167 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.783 5.556 -5.009 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.587 3.329 -3.910 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.221 5.628 -3.757 1.00 0.00 C ATOM 890 CZ PHE A 57 15.624 4.517 -3.203 1.00 0.00 C ATOM 0 H PHE A 57 18.168 4.748 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 57 15.677 3.852 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.758 3.305 -7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.218 4.991 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.119 2.339 -5.720 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.252 6.431 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.120 2.455 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.247 6.557 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.185 4.574 -2.218 1.00 0.00 H new ATOM 900 N LYS A 58 16.298 7.082 -8.267 1.00 0.00 N ATOM 901 CA LYS A 58 15.674 8.386 -8.124 1.00 0.00 C ATOM 902 C LYS A 58 14.565 8.569 -9.155 1.00 0.00 C ATOM 903 O LYS A 58 13.779 9.512 -9.074 1.00 0.00 O ATOM 904 CB LYS A 58 16.722 9.498 -8.282 1.00 0.00 C ATOM 905 CG LYS A 58 17.071 10.226 -6.987 1.00 0.00 C ATOM 906 CD LYS A 58 16.007 10.037 -5.917 1.00 0.00 C ATOM 907 CE LYS A 58 14.757 10.850 -6.213 1.00 0.00 C ATOM 908 NZ LYS A 58 14.521 11.911 -5.198 1.00 0.00 N ATOM 0 H LYS A 58 17.254 7.112 -8.621 1.00 0.00 H new ATOM 0 HA LYS A 58 15.237 8.447 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.632 9.066 -8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.355 10.226 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.028 9.861 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.193 11.290 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.746 8.981 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.410 10.330 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.848 11.307 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.894 10.185 -6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.659 12.439 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.407 11.475 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.332 12.562 -5.181 1.00 0.00 H new ATOM 922 N SER A 59 14.512 7.665 -10.118 1.00 0.00 N ATOM 923 CA SER A 59 13.486 7.695 -11.146 1.00 0.00 C ATOM 924 C SER A 59 12.328 6.770 -10.780 1.00 0.00 C ATOM 925 O SER A 59 11.186 7.000 -11.179 1.00 0.00 O ATOM 926 CB SER A 59 14.089 7.302 -12.495 1.00 0.00 C ATOM 927 OG SER A 59 15.436 7.743 -12.584 1.00 0.00 O ATOM 0 H SER A 59 15.174 6.894 -10.209 1.00 0.00 H new ATOM 0 HA SER A 59 13.093 8.709 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.045 6.220 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.503 7.739 -13.303 1.00 0.00 H new ATOM 0 HG SER A 59 15.809 7.483 -13.452 1.00 0.00 H new ATOM 933 N THR A 60 12.624 5.716 -10.028 1.00 0.00 N ATOM 934 CA THR A 60 11.581 4.840 -9.508 1.00 0.00 C ATOM 935 C THR A 60 10.886 5.478 -8.307 1.00 0.00 C ATOM 936 O THR A 60 9.726 5.179 -8.015 1.00 0.00 O ATOM 937 CB THR A 60 12.154 3.477 -9.083 1.00 0.00 C ATOM 938 OG1 THR A 60 13.557 3.428 -9.367 1.00 0.00 O ATOM 939 CG2 THR A 60 11.440 2.343 -9.803 1.00 0.00 C ATOM 0 H THR A 60 13.573 5.448 -9.766 1.00 0.00 H new ATOM 0 HA THR A 60 10.860 4.689 -10.312 1.00 0.00 H new ATOM 0 HB THR A 60 11.998 3.357 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.916 2.558 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.862 1.389 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.378 2.369 -9.559 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.568 2.458 -10.879 1.00 0.00 H new ATOM 947 N LEU A 61 11.610 6.364 -7.625 1.00 0.00 N ATOM 948 CA LEU A 61 11.109 7.022 -6.419 1.00 0.00 C ATOM 949 C LEU A 61 9.765 7.727 -6.646 1.00 0.00 C ATOM 950 O LEU A 61 8.801 7.405 -5.962 1.00 0.00 O ATOM 951 CB LEU A 61 12.149 8.008 -5.872 1.00 0.00 C ATOM 952 CG LEU A 61 13.160 7.414 -4.886 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.605 8.465 -3.890 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.576 6.217 -4.158 1.00 0.00 C ATOM 0 H LEU A 61 12.554 6.645 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 61 10.935 6.240 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.695 8.438 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.625 8.827 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 61 14.026 7.076 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.323 8.028 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.072 9.295 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.740 8.830 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.316 5.816 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.689 6.525 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.303 5.449 -4.882 1.00 0.00 H new ATOM 966 N PRO A 62 9.655 8.676 -7.604 1.00 0.00 N ATOM 967 CA PRO A 62 8.397 9.401 -7.840 1.00 0.00 C ATOM 968 C PRO A 62 7.233 8.462 -8.150 1.00 0.00 C ATOM 969 O PRO A 62 6.092 8.727 -7.773 1.00 0.00 O ATOM 970 CB PRO A 62 8.701 10.296 -9.051 1.00 0.00 C ATOM 971 CG PRO A 62 9.946 9.738 -9.651 1.00 0.00 C ATOM 972 CD PRO A 62 10.714 9.127 -8.519 1.00 0.00 C ATOM 0 HA PRO A 62 8.088 9.959 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.879 10.282 -9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.841 11.333 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.712 8.992 -10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.528 10.520 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.337 8.298 -8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.376 9.851 -8.044 1.00 0.00 H new ATOM 980 N ASP A 63 7.533 7.354 -8.819 1.00 0.00 N ATOM 981 CA ASP A 63 6.513 6.382 -9.182 1.00 0.00 C ATOM 982 C ASP A 63 5.999 5.662 -7.943 1.00 0.00 C ATOM 983 O ASP A 63 4.791 5.585 -7.707 1.00 0.00 O ATOM 984 CB ASP A 63 7.075 5.366 -10.176 1.00 0.00 C ATOM 985 CG ASP A 63 6.034 4.868 -11.157 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.031 5.578 -11.386 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.223 3.771 -11.719 1.00 0.00 O ATOM 0 H ASP A 63 8.476 7.108 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 63 5.685 6.914 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.899 5.820 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.487 4.518 -9.629 1.00 0.00 H new ATOM 992 N ALA A 64 6.928 5.162 -7.139 1.00 0.00 N ATOM 993 CA ALA A 64 6.581 4.438 -5.925 1.00 0.00 C ATOM 994 C ALA A 64 6.025 5.388 -4.863 1.00 0.00 C ATOM 995 O ALA A 64 5.189 5.000 -4.048 1.00 0.00 O ATOM 996 CB ALA A 64 7.795 3.683 -5.402 1.00 0.00 C ATOM 0 H ALA A 64 7.931 5.245 -7.307 1.00 0.00 H new ATOM 0 HA ALA A 64 5.800 3.715 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.525 3.145 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.135 2.974 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.595 4.389 -5.181 1.00 0.00 H new ATOM 1002 N ASP A 65 6.488 6.634 -4.889 1.00 0.00 N ATOM 1003 CA ASP A 65 6.008 7.664 -3.967 1.00 0.00 C ATOM 1004 C ASP A 65 4.508 7.865 -4.122 1.00 0.00 C ATOM 1005 O ASP A 65 3.765 7.899 -3.138 1.00 0.00 O ATOM 1006 CB ASP A 65 6.739 8.989 -4.216 1.00 0.00 C ATOM 1007 CG ASP A 65 5.992 10.188 -3.657 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.891 10.302 -2.423 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.513 11.025 -4.454 1.00 0.00 O ATOM 0 H ASP A 65 7.200 6.959 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 65 6.214 7.332 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.730 8.942 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.882 9.124 -5.288 1.00 0.00 H new ATOM 1014 N ARG A 66 4.063 7.967 -5.365 1.00 0.00 N ATOM 1015 CA ARG A 66 2.660 8.171 -5.659 1.00 0.00 C ATOM 1016 C ARG A 66 1.859 6.919 -5.318 1.00 0.00 C ATOM 1017 O ARG A 66 0.693 6.998 -4.943 1.00 0.00 O ATOM 1018 CB ARG A 66 2.487 8.538 -7.130 1.00 0.00 C ATOM 1019 CG ARG A 66 2.331 10.029 -7.366 1.00 0.00 C ATOM 1020 CD ARG A 66 3.567 10.790 -6.918 1.00 0.00 C ATOM 1021 NE ARG A 66 4.077 11.676 -7.961 1.00 0.00 N ATOM 1022 CZ ARG A 66 5.021 12.595 -7.759 1.00 0.00 C ATOM 1023 NH1 ARG A 66 5.610 12.705 -6.574 1.00 0.00 N ATOM 1024 NH2 ARG A 66 5.392 13.390 -8.755 1.00 0.00 N ATOM 0 H ARG A 66 4.661 7.911 -6.189 1.00 0.00 H new ATOM 0 HA ARG A 66 2.284 8.992 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.350 8.177 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.612 8.022 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.150 10.215 -8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.459 10.396 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.329 11.376 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.345 10.081 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 66 3.688 11.586 -8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.341 12.084 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.332 13.411 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.955 13.297 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.114 14.094 -8.604 1.00 0.00 H new ATOM 1038 N GLU A 67 2.508 5.765 -5.430 1.00 0.00 N ATOM 1039 CA GLU A 67 1.883 4.498 -5.082 1.00 0.00 C ATOM 1040 C GLU A 67 1.601 4.433 -3.584 1.00 0.00 C ATOM 1041 O GLU A 67 0.562 3.929 -3.169 1.00 0.00 O ATOM 1042 CB GLU A 67 2.771 3.327 -5.504 1.00 0.00 C ATOM 1043 CG GLU A 67 2.620 2.955 -6.970 1.00 0.00 C ATOM 1044 CD GLU A 67 1.660 1.804 -7.182 1.00 0.00 C ATOM 1045 OE1 GLU A 67 2.110 0.641 -7.150 1.00 0.00 O ATOM 1046 OE2 GLU A 67 0.455 2.056 -7.396 1.00 0.00 O ATOM 0 H GLU A 67 3.470 5.683 -5.760 1.00 0.00 H new ATOM 0 HA GLU A 67 0.936 4.427 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.813 3.580 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.532 2.459 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.269 3.824 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.596 2.689 -7.376 1.00 0.00 H new ATOM 1053 N ARG A 68 2.517 4.966 -2.773 1.00 0.00 N ATOM 1054 CA ARG A 68 2.321 5.003 -1.325 1.00 0.00 C ATOM 1055 C ARG A 68 1.081 5.824 -0.976 1.00 0.00 C ATOM 1056 O ARG A 68 0.372 5.532 -0.013 1.00 0.00 O ATOM 1057 CB ARG A 68 3.576 5.561 -0.630 1.00 0.00 C ATOM 1058 CG ARG A 68 3.447 6.988 -0.111 1.00 0.00 C ATOM 1059 CD ARG A 68 4.740 7.454 0.538 1.00 0.00 C ATOM 1060 NE ARG A 68 5.205 8.730 -0.007 1.00 0.00 N ATOM 1061 CZ ARG A 68 5.684 9.733 0.733 1.00 0.00 C ATOM 1062 NH1 ARG A 68 5.714 9.649 2.058 1.00 0.00 N ATOM 1063 NH2 ARG A 68 6.120 10.832 0.134 1.00 0.00 N ATOM 0 H ARG A 68 3.395 5.375 -3.092 1.00 0.00 H new ATOM 0 HA ARG A 68 2.161 3.987 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.830 4.909 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.409 5.520 -1.331 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.188 7.655 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.633 7.043 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.589 7.554 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.511 6.697 0.393 1.00 0.00 H new ATOM 0 HE ARG A 68 5.160 8.862 -1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.368 8.810 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.083 10.423 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.088 10.906 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.488 11.604 0.690 1.00 0.00 H new ATOM 1077 N GLU A 69 0.813 6.840 -1.787 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.363 7.675 -1.605 1.00 0.00 C ATOM 1079 C GLU A 69 -1.603 6.963 -2.135 1.00 0.00 C ATOM 1080 O GLU A 69 -2.646 6.948 -1.486 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.174 9.011 -2.319 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.043 10.187 -1.369 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.199 11.157 -1.488 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -2.360 10.703 -1.578 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.956 12.380 -1.491 1.00 0.00 O ATOM 0 H GLU A 69 1.398 7.105 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.498 7.863 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.717 8.958 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.021 9.183 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.014 9.818 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.891 10.712 -1.572 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.463 6.349 -3.306 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.570 5.663 -3.971 1.00 0.00 C ATOM 1094 C ALA A 70 -2.993 4.399 -3.218 1.00 0.00 C ATOM 1095 O ALA A 70 -4.116 3.921 -3.363 1.00 0.00 O ATOM 1096 CB ALA A 70 -2.181 5.321 -5.403 1.00 0.00 C ATOM 0 H ALA A 70 -0.583 6.312 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.426 6.338 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.010 4.810 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.948 6.237 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.306 4.670 -5.397 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.095 3.877 -2.399 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.373 2.685 -1.618 1.00 0.00 C ATOM 1104 C ILE A 71 -3.131 3.095 -0.370 1.00 0.00 C ATOM 1105 O ILE A 71 -4.060 2.416 0.075 1.00 0.00 O ATOM 1106 CB ILE A 71 -1.069 1.923 -1.252 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.884 0.726 -2.180 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.066 1.454 0.197 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.441 0.725 -2.910 1.00 0.00 C ATOM 0 H ILE A 71 -1.162 4.264 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.978 2.000 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.240 2.620 -1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.969 -0.191 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.692 0.715 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.135 0.927 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.152 2.316 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.909 0.783 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.503 -0.155 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.521 1.625 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.255 0.704 -2.186 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.746 4.245 0.162 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.445 4.831 1.284 1.00 0.00 C ATOM 1123 C LEU A 72 -4.796 5.345 0.824 1.00 0.00 C ATOM 1124 O LEU A 72 -5.709 5.521 1.624 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.621 5.963 1.902 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.453 5.510 2.784 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -1.231 6.493 3.923 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.710 4.114 3.329 1.00 0.00 C ATOM 0 H LEU A 72 -1.950 4.789 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.594 4.069 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.229 6.586 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.284 6.591 2.498 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.551 5.483 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.398 6.154 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.004 7.478 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.132 6.552 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.871 3.807 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.623 4.118 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.821 3.415 2.500 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.913 5.573 -0.479 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.182 5.975 -1.078 1.00 0.00 C ATOM 1142 C ALA A 73 -7.171 4.816 -1.044 1.00 0.00 C ATOM 1143 O ALA A 73 -8.350 4.996 -0.742 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.975 6.456 -2.505 1.00 0.00 C ATOM 0 H ALA A 73 -4.143 5.486 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.591 6.801 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.933 6.751 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.299 7.311 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.544 5.652 -3.101 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.671 3.621 -1.345 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.471 2.407 -1.260 1.00 0.00 C ATOM 1152 C ILE A 74 -7.859 2.133 0.193 1.00 0.00 C ATOM 1153 O ILE A 74 -9.014 1.832 0.504 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.693 1.191 -1.817 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.331 1.413 -3.286 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.500 -0.088 -1.656 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.107 0.639 -3.730 1.00 0.00 C ATOM 0 H ILE A 74 -5.710 3.469 -1.651 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.370 2.555 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.771 1.087 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.178 1.125 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.159 2.476 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.933 -0.929 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.706 -0.258 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.441 0.005 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.909 0.844 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.248 0.943 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.283 -0.428 -3.595 1.00 0.00 H new ATOM 1169 N HIS A 75 -6.880 2.265 1.077 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.081 2.043 2.504 1.00 0.00 C ATOM 1171 C HIS A 75 -7.969 3.121 3.100 1.00 0.00 C ATOM 1172 O HIS A 75 -8.563 2.925 4.153 1.00 0.00 O ATOM 1173 CB HIS A 75 -5.705 1.959 3.207 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.578 2.666 4.531 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.417 2.003 5.727 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.569 3.987 4.837 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.322 2.884 6.706 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.410 4.091 6.191 1.00 0.00 N ATOM 0 H HIS A 75 -5.927 2.528 0.827 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.599 1.097 2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.464 0.907 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.952 2.364 2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.669 4.806 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.194 2.652 7.753 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.367 4.964 6.717 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.061 4.247 2.423 1.00 0.00 N ATOM 1188 CA LYS A 76 -8.894 5.337 2.890 1.00 0.00 C ATOM 1189 C LYS A 76 -10.344 4.899 2.942 1.00 0.00 C ATOM 1190 O LYS A 76 -11.021 5.123 3.933 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.751 6.559 1.991 1.00 0.00 C ATOM 1192 CG LYS A 76 -7.938 7.676 2.617 1.00 0.00 C ATOM 1193 CD LYS A 76 -7.802 8.849 1.668 1.00 0.00 C ATOM 1194 CE LYS A 76 -8.654 10.023 2.118 1.00 0.00 C ATOM 1195 NZ LYS A 76 -7.940 11.313 1.963 1.00 0.00 N ATOM 0 H LYS A 76 -7.570 4.432 1.548 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.565 5.610 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.281 6.259 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.743 6.937 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.416 8.004 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.949 7.304 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.757 9.155 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.099 8.544 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.576 10.046 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.937 9.888 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.554 12.090 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.073 11.301 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.692 11.454 0.963 1.00 0.00 H new ATOM 1209 N GLU A 77 -10.800 4.231 1.895 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.179 3.777 1.839 1.00 0.00 C ATOM 1211 C GLU A 77 -12.354 2.522 2.686 1.00 0.00 C ATOM 1212 O GLU A 77 -13.405 2.302 3.285 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.604 3.513 0.396 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.008 4.000 0.082 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.069 5.494 -0.161 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.720 6.269 0.753 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -14.472 5.902 -1.271 1.00 0.00 O ATOM 0 H GLU A 77 -10.239 3.992 1.077 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.818 4.563 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.899 4.001 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.546 2.443 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.381 3.477 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.670 3.743 0.909 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.298 1.722 2.757 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.326 0.479 3.520 1.00 0.00 C ATOM 1226 C ALA A 78 -11.178 0.753 5.014 1.00 0.00 C ATOM 1227 O ALA A 78 -11.282 -0.155 5.838 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.236 -0.466 3.042 1.00 0.00 C ATOM 0 H ALA A 78 -10.409 1.912 2.295 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.293 0.003 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.273 -1.388 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.390 -0.695 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.262 0.006 3.172 1.00 0.00 H new ATOM 1234 N GLN A 79 -10.891 2.000 5.351 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.841 2.422 6.743 1.00 0.00 C ATOM 1236 C GLN A 79 -11.982 3.369 7.077 1.00 0.00 C ATOM 1237 O GLN A 79 -12.543 3.302 8.161 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.502 3.087 7.062 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.027 2.833 8.478 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.094 1.640 8.576 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -7.014 1.723 9.161 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.502 0.520 7.999 1.00 0.00 N ATOM 0 H GLN A 79 -10.689 2.740 4.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.947 1.528 7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.749 2.724 6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.592 4.162 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.516 3.721 8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.890 2.668 9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.404 0.490 7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.914 -0.313 8.030 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.318 4.241 6.129 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.390 5.229 6.299 1.00 0.00 C ATOM 1253 C ARG A 80 -14.652 4.603 6.834 1.00 0.00 C ATOM 1254 O ARG A 80 -15.301 5.135 7.728 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.703 5.900 4.968 1.00 0.00 C ATOM 1256 CG ARG A 80 -13.097 7.272 4.866 1.00 0.00 C ATOM 1257 CD ARG A 80 -14.073 8.287 4.294 1.00 0.00 C ATOM 1258 NE ARG A 80 -14.380 8.021 2.888 1.00 0.00 N ATOM 1259 CZ ARG A 80 -15.239 8.734 2.163 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -15.865 9.779 2.694 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -15.458 8.398 0.899 1.00 0.00 N ATOM 0 H ARG A 80 -11.857 4.286 5.220 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.035 5.965 7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.330 5.279 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.784 5.972 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.772 7.599 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.208 7.229 4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.995 8.271 4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.653 9.288 4.390 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.906 7.240 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.689 10.040 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.522 10.320 2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.970 7.600 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -16.114 8.937 0.334 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.992 3.479 6.256 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.143 2.699 6.688 1.00 0.00 C ATOM 1277 C ILE A 81 -16.100 2.449 8.201 1.00 0.00 C ATOM 1278 O ILE A 81 -17.083 2.666 8.901 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.223 1.349 5.947 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.869 0.643 5.954 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.696 1.543 4.518 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -14.828 -0.551 6.873 1.00 0.00 C ATOM 0 H ILE A 81 -14.484 3.071 5.471 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.032 3.282 6.446 1.00 0.00 H new ATOM 0 HB ILE A 81 -16.946 0.725 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.628 0.322 4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.098 1.352 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.744 0.577 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.686 2.000 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.998 2.192 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -13.839 -1.008 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.038 -0.232 7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.577 -1.278 6.559 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.941 2.029 8.698 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.771 1.729 10.115 1.00 0.00 C ATOM 1296 C ALA A 82 -14.608 3.007 10.930 1.00 0.00 C ATOM 1297 O ALA A 82 -14.853 3.025 12.136 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.577 0.809 10.321 1.00 0.00 C ATOM 0 H ALA A 82 -14.101 1.888 8.136 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.669 1.220 10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.463 0.594 11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.737 -0.122 9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.675 1.295 9.950 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.187 4.075 10.265 1.00 0.00 N ATOM 1305 CA GLU A 83 -14.058 5.366 10.915 1.00 0.00 C ATOM 1306 C GLU A 83 -15.434 6.006 11.082 1.00 0.00 C ATOM 1307 O GLU A 83 -15.667 6.773 12.014 1.00 0.00 O ATOM 1308 CB GLU A 83 -13.135 6.280 10.107 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.746 5.697 9.877 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.940 5.588 11.152 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -11.032 4.550 11.833 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -10.200 6.542 11.474 1.00 0.00 O ATOM 0 H GLU A 83 -13.930 4.070 9.278 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.618 5.221 11.902 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.597 6.487 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.038 7.234 10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.841 4.709 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.208 6.322 9.164 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.393 -9.967 4.242 1.00 0.00 N ATOM 1480 CA TYR A 95 -4.614 -10.379 3.087 1.00 0.00 C ATOM 1481 C TYR A 95 -3.211 -9.815 3.185 1.00 0.00 C ATOM 1482 O TYR A 95 -2.228 -10.542 3.061 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.285 -9.918 1.787 1.00 0.00 C ATOM 1484 CG TYR A 95 -6.759 -10.264 1.692 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.263 -11.433 2.253 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.649 -9.416 1.043 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -8.606 -11.744 2.166 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -8.992 -9.721 0.956 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.466 -10.885 1.519 1.00 0.00 C ATOM 1490 OH TYR A 95 -10.802 -11.191 1.429 1.00 0.00 O ATOM 0 HA TYR A 95 -4.560 -11.468 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.170 -8.838 1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.763 -10.367 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.593 -12.108 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.283 -8.502 0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.980 -12.658 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.669 -9.050 0.448 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.265 -10.873 2.232 1.00 0.00 H new ATOM 1500 N THR A 96 -3.125 -8.521 3.433 1.00 0.00 N ATOM 1501 CA THR A 96 -1.850 -7.860 3.556 1.00 0.00 C ATOM 1502 C THR A 96 -1.827 -7.057 4.857 1.00 0.00 C ATOM 1503 O THR A 96 -2.353 -5.947 4.935 1.00 0.00 O ATOM 1504 CB THR A 96 -1.583 -6.978 2.307 1.00 0.00 C ATOM 1505 OG1 THR A 96 -0.899 -7.752 1.314 1.00 0.00 O ATOM 1506 CG2 THR A 96 -0.762 -5.748 2.630 1.00 0.00 C ATOM 0 H THR A 96 -3.932 -7.908 3.553 1.00 0.00 H new ATOM 0 HA THR A 96 -1.045 -8.593 3.601 1.00 0.00 H new ATOM 0 HB THR A 96 -2.551 -6.640 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.327 -7.164 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.605 -5.167 1.721 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.291 -5.139 3.363 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.202 -6.051 3.038 1.00 0.00 H new ATOM 1514 N THR A 97 -1.262 -7.653 5.899 1.00 0.00 N ATOM 1515 CA THR A 97 -1.259 -7.032 7.210 1.00 0.00 C ATOM 1516 C THR A 97 -0.158 -5.985 7.334 1.00 0.00 C ATOM 1517 O THR A 97 0.822 -6.163 8.059 1.00 0.00 O ATOM 1518 CB THR A 97 -1.122 -8.072 8.331 1.00 0.00 C ATOM 1519 OG1 THR A 97 -1.911 -9.232 8.025 1.00 0.00 O ATOM 1520 CG2 THR A 97 -1.571 -7.473 9.655 1.00 0.00 C ATOM 0 H THR A 97 -0.802 -8.563 5.859 1.00 0.00 H new ATOM 0 HA THR A 97 -2.222 -6.534 7.320 1.00 0.00 H new ATOM 0 HB THR A 97 -0.076 -8.367 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.817 -9.891 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.470 -8.218 10.444 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.952 -6.608 9.892 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.613 -7.163 9.579 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.324 -4.905 6.599 1.00 0.00 N ATOM 1529 CA VAL A 98 0.553 -3.768 6.689 1.00 0.00 C ATOM 1530 C VAL A 98 -0.282 -2.520 6.955 1.00 0.00 C ATOM 1531 O VAL A 98 -1.462 -2.465 6.597 1.00 0.00 O ATOM 1532 CB VAL A 98 1.400 -3.591 5.405 1.00 0.00 C ATOM 1533 CG1 VAL A 98 1.829 -4.930 4.833 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.655 -2.805 4.348 1.00 0.00 C ATOM 0 H VAL A 98 -1.077 -4.796 5.920 1.00 0.00 H new ATOM 0 HA VAL A 98 1.251 -3.931 7.510 1.00 0.00 H new ATOM 0 HB VAL A 98 2.289 -3.031 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.422 -4.768 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.428 -5.465 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.946 -5.519 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.282 -2.702 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.263 -3.330 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.409 -1.816 4.736 1.00 0.00 H new ATOM 1544 N THR A 99 0.313 -1.540 7.597 1.00 0.00 N ATOM 1545 CA THR A 99 -0.400 -0.327 7.942 1.00 0.00 C ATOM 1546 C THR A 99 0.102 0.843 7.112 1.00 0.00 C ATOM 1547 O THR A 99 1.144 0.744 6.451 1.00 0.00 O ATOM 1548 CB THR A 99 -0.219 0.003 9.434 1.00 0.00 C ATOM 1549 OG1 THR A 99 1.175 -0.052 9.777 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.007 -0.963 10.301 1.00 0.00 C ATOM 0 H THR A 99 1.289 -1.558 7.892 1.00 0.00 H new ATOM 0 HA THR A 99 -1.457 -0.492 7.734 1.00 0.00 H new ATOM 0 HB THR A 99 -0.597 1.009 9.615 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.287 0.160 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.863 -0.710 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.066 -0.894 10.053 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.658 -1.980 10.122 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.627 1.969 7.130 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.177 3.207 6.494 1.00 0.00 C ATOM 1560 C PRO A 100 1.153 3.675 7.080 1.00 0.00 C ATOM 1561 O PRO A 100 1.923 4.376 6.430 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.287 4.215 6.818 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.055 3.607 7.941 1.00 0.00 C ATOM 1564 CD PRO A 100 -1.948 2.125 7.752 1.00 0.00 C ATOM 0 HA PRO A 100 -0.011 3.085 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.870 5.181 7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.926 4.388 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.644 3.909 8.904 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.096 3.930 7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.014 1.591 8.700 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.743 1.741 7.113 1.00 0.00 H new ATOM 1572 N GLN A 101 1.413 3.256 8.318 1.00 0.00 N ATOM 1573 CA GLN A 101 2.644 3.600 9.010 1.00 0.00 C ATOM 1574 C GLN A 101 3.791 2.781 8.451 1.00 0.00 C ATOM 1575 O GLN A 101 4.831 3.321 8.104 1.00 0.00 O ATOM 1576 CB GLN A 101 2.499 3.352 10.515 1.00 0.00 C ATOM 1577 CG GLN A 101 3.521 4.094 11.358 1.00 0.00 C ATOM 1578 CD GLN A 101 4.501 3.160 12.045 1.00 0.00 C ATOM 1579 OE1 GLN A 101 4.320 1.941 12.055 1.00 0.00 O ATOM 1580 NE2 GLN A 101 5.546 3.730 12.623 1.00 0.00 N ATOM 0 H GLN A 101 0.778 2.673 8.862 1.00 0.00 H new ATOM 0 HA GLN A 101 2.853 4.659 8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.498 3.649 10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.589 2.283 10.708 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.071 4.790 10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.003 4.688 12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.657 4.743 12.591 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.241 3.156 13.101 1.00 0.00 H new ATOM 1589 N ILE A 102 3.580 1.475 8.345 1.00 0.00 N ATOM 1590 CA ILE A 102 4.581 0.581 7.771 1.00 0.00 C ATOM 1591 C ILE A 102 4.991 1.052 6.377 1.00 0.00 C ATOM 1592 O ILE A 102 6.178 1.186 6.085 1.00 0.00 O ATOM 1593 CB ILE A 102 4.053 -0.871 7.710 1.00 0.00 C ATOM 1594 CG1 ILE A 102 4.275 -1.564 9.053 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.721 -1.669 6.592 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.196 -2.567 9.396 1.00 0.00 C ATOM 0 H ILE A 102 2.725 1.010 8.649 1.00 0.00 H new ATOM 0 HA ILE A 102 5.459 0.602 8.417 1.00 0.00 H new ATOM 0 HB ILE A 102 2.985 -0.828 7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.240 -2.071 9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.323 -0.810 9.839 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.323 -2.684 6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.520 -1.191 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.797 -1.703 6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.416 -3.022 10.362 1.00 0.00 H new ATOM 0 HD12 ILE A 102 2.231 -2.062 9.444 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.162 -3.341 8.630 1.00 0.00 H new ATOM 1608 N ILE A 103 4.002 1.330 5.536 1.00 0.00 N ATOM 1609 CA ILE A 103 4.255 1.756 4.169 1.00 0.00 C ATOM 1610 C ILE A 103 4.964 3.116 4.114 1.00 0.00 C ATOM 1611 O ILE A 103 5.855 3.325 3.293 1.00 0.00 O ATOM 1612 CB ILE A 103 2.924 1.781 3.366 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.054 0.935 2.105 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.486 3.197 2.999 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.178 -0.553 2.361 1.00 0.00 C ATOM 0 H ILE A 103 3.014 1.267 5.780 1.00 0.00 H new ATOM 0 HA ILE A 103 4.929 1.033 3.709 1.00 0.00 H new ATOM 0 HB ILE A 103 2.154 1.362 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.184 1.111 1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.928 1.269 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.551 3.155 2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.339 3.780 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.255 3.668 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.266 -1.080 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.064 -0.746 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.293 -0.906 2.891 1.00 0.00 H new ATOM 1627 N ASN A 104 4.587 4.024 5.006 1.00 0.00 N ATOM 1628 CA ASN A 104 5.122 5.384 4.981 1.00 0.00 C ATOM 1629 C ASN A 104 6.471 5.481 5.688 1.00 0.00 C ATOM 1630 O ASN A 104 7.406 6.081 5.164 1.00 0.00 O ATOM 1631 CB ASN A 104 4.136 6.370 5.610 1.00 0.00 C ATOM 1632 CG ASN A 104 3.757 7.487 4.659 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.529 7.851 3.772 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.568 8.038 4.840 1.00 0.00 N ATOM 0 H ASN A 104 3.916 3.847 5.753 1.00 0.00 H new ATOM 0 HA ASN A 104 5.271 5.645 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.237 5.836 5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.577 6.796 6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.259 8.796 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.960 7.705 5.588 1.00 0.00 H new ATOM 1641 N SER A 105 6.571 4.891 6.873 1.00 0.00 N ATOM 1642 CA SER A 105 7.803 4.956 7.650 1.00 0.00 C ATOM 1643 C SER A 105 8.934 4.211 6.949 1.00 0.00 C ATOM 1644 O SER A 105 10.089 4.637 7.004 1.00 0.00 O ATOM 1645 CB SER A 105 7.583 4.395 9.056 1.00 0.00 C ATOM 1646 OG SER A 105 6.711 5.233 9.794 1.00 0.00 O ATOM 0 H SER A 105 5.818 4.364 7.315 1.00 0.00 H new ATOM 0 HA SER A 105 8.091 6.004 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.164 3.391 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.539 4.309 9.573 1.00 0.00 H new ATOM 0 HG SER A 105 6.823 5.059 10.752 1.00 0.00 H new ATOM 1652 N LYS A 106 8.605 3.111 6.279 1.00 0.00 N ATOM 1653 CA LYS A 106 9.602 2.374 5.519 1.00 0.00 C ATOM 1654 C LYS A 106 10.098 3.225 4.359 1.00 0.00 C ATOM 1655 O LYS A 106 11.293 3.241 4.059 1.00 0.00 O ATOM 1656 CB LYS A 106 9.032 1.051 5.007 1.00 0.00 C ATOM 1657 CG LYS A 106 9.319 -0.134 5.916 1.00 0.00 C ATOM 1658 CD LYS A 106 8.765 -1.426 5.342 1.00 0.00 C ATOM 1659 CE LYS A 106 9.805 -2.159 4.508 1.00 0.00 C ATOM 1660 NZ LYS A 106 10.788 -2.889 5.352 1.00 0.00 N ATOM 0 H LYS A 106 7.665 2.715 6.248 1.00 0.00 H new ATOM 0 HA LYS A 106 10.440 2.144 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.953 1.153 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.444 0.847 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.395 -0.231 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.881 0.046 6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.428 -2.071 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.893 -1.207 4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.305 -2.864 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.331 -1.444 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.103 -3.747 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.607 -2.277 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.342 -3.155 6.253 1.00 0.00 H new ATOM 1674 N TRP A 107 9.175 3.945 3.727 1.00 0.00 N ATOM 1675 CA TRP A 107 9.524 4.878 2.664 1.00 0.00 C ATOM 1676 C TRP A 107 10.446 5.969 3.194 1.00 0.00 C ATOM 1677 O TRP A 107 11.446 6.315 2.561 1.00 0.00 O ATOM 1678 CB TRP A 107 8.262 5.511 2.071 1.00 0.00 C ATOM 1679 CG TRP A 107 8.549 6.483 0.971 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.680 7.840 1.071 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.742 6.163 -0.403 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.960 8.376 -0.159 1.00 0.00 N ATOM 1683 CE2 TRP A 107 9.002 7.366 -1.081 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.731 4.971 -1.120 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.239 7.407 -2.450 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.965 5.012 -2.477 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.222 6.224 -3.129 1.00 0.00 C ATOM 0 H TRP A 107 8.177 3.899 3.935 1.00 0.00 H new ATOM 0 HA TRP A 107 10.043 4.324 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.613 4.723 1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.713 6.021 2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.578 8.406 1.985 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.112 9.365 -0.355 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.543 4.031 -0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.430 8.341 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.950 4.095 -3.047 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.411 6.222 -4.192 1.00 0.00 H new ATOM 1698 N GLU A 108 10.110 6.496 4.366 1.00 0.00 N ATOM 1699 CA GLU A 108 10.881 7.567 4.985 1.00 0.00 C ATOM 1700 C GLU A 108 12.308 7.110 5.257 1.00 0.00 C ATOM 1701 O GLU A 108 13.266 7.850 5.017 1.00 0.00 O ATOM 1702 CB GLU A 108 10.214 8.009 6.288 1.00 0.00 C ATOM 1703 CG GLU A 108 9.589 9.392 6.208 1.00 0.00 C ATOM 1704 CD GLU A 108 9.991 10.292 7.361 1.00 0.00 C ATOM 1705 OE1 GLU A 108 10.940 9.949 8.096 1.00 0.00 O ATOM 1706 OE2 GLU A 108 9.356 11.351 7.538 1.00 0.00 O ATOM 0 H GLU A 108 9.301 6.195 4.910 1.00 0.00 H new ATOM 0 HA GLU A 108 10.913 8.413 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.444 7.286 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.954 7.999 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.880 9.862 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.504 9.294 6.192 1.00 0.00 H new ATOM 1713 N LYS A 109 12.439 5.885 5.753 1.00 0.00 N ATOM 1714 CA LYS A 109 13.744 5.303 6.027 1.00 0.00 C ATOM 1715 C LYS A 109 14.529 5.118 4.739 1.00 0.00 C ATOM 1716 O LYS A 109 15.739 5.323 4.700 1.00 0.00 O ATOM 1717 CB LYS A 109 13.587 3.964 6.739 1.00 0.00 C ATOM 1718 CG LYS A 109 13.826 4.062 8.227 1.00 0.00 C ATOM 1719 CD LYS A 109 12.542 3.857 9.015 1.00 0.00 C ATOM 1720 CE LYS A 109 12.769 4.040 10.505 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.336 2.818 11.134 1.00 0.00 N ATOM 0 H LYS A 109 11.652 5.275 5.974 1.00 0.00 H new ATOM 0 HA LYS A 109 14.294 5.986 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.583 3.578 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.285 3.245 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.561 3.316 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.247 5.039 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.786 4.563 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.153 2.857 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.445 4.879 10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.825 4.292 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.476 2.984 12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.680 2.022 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.249 2.592 10.691 1.00 0.00 H new ATOM 1735 N VAL A 110 13.822 4.733 3.693 1.00 0.00 N ATOM 1736 CA VAL A 110 14.411 4.586 2.379 1.00 0.00 C ATOM 1737 C VAL A 110 15.016 5.915 1.926 1.00 0.00 C ATOM 1738 O VAL A 110 16.173 5.971 1.516 1.00 0.00 O ATOM 1739 CB VAL A 110 13.347 4.111 1.360 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.727 4.495 -0.055 1.00 0.00 C ATOM 1741 CG2 VAL A 110 13.140 2.611 1.461 1.00 0.00 C ATOM 0 H VAL A 110 12.826 4.514 3.732 1.00 0.00 H new ATOM 0 HA VAL A 110 15.200 3.836 2.432 1.00 0.00 H new ATOM 0 HB VAL A 110 12.410 4.611 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.959 4.147 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.815 5.579 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.681 4.036 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.388 2.298 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 110 14.080 2.099 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.803 2.357 2.466 1.00 0.00 H new ATOM 1751 N GLN A 111 14.228 6.981 2.048 1.00 0.00 N ATOM 1752 CA GLN A 111 14.630 8.311 1.591 1.00 0.00 C ATOM 1753 C GLN A 111 15.873 8.808 2.309 1.00 0.00 C ATOM 1754 O GLN A 111 16.783 9.338 1.679 1.00 0.00 O ATOM 1755 CB GLN A 111 13.499 9.312 1.812 1.00 0.00 C ATOM 1756 CG GLN A 111 12.209 8.937 1.121 1.00 0.00 C ATOM 1757 CD GLN A 111 12.357 8.868 -0.381 1.00 0.00 C ATOM 1758 OE1 GLN A 111 12.519 9.888 -1.050 1.00 0.00 O ATOM 1759 NE2 GLN A 111 12.310 7.661 -0.921 1.00 0.00 N ATOM 0 H GLN A 111 13.297 6.949 2.464 1.00 0.00 H new ATOM 0 HA GLN A 111 14.856 8.227 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.313 9.406 2.882 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.819 10.292 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.868 7.971 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.440 9.666 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.174 6.842 -0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.410 7.549 -1.930 1.00 0.00 H new ATOM 1768 N GLN A 112 15.906 8.651 3.625 1.00 0.00 N ATOM 1769 CA GLN A 112 17.010 9.177 4.421 1.00 0.00 C ATOM 1770 C GLN A 112 18.311 8.411 4.162 1.00 0.00 C ATOM 1771 O GLN A 112 19.401 8.939 4.376 1.00 0.00 O ATOM 1772 CB GLN A 112 16.664 9.168 5.913 1.00 0.00 C ATOM 1773 CG GLN A 112 16.511 7.781 6.518 1.00 0.00 C ATOM 1774 CD GLN A 112 15.623 7.783 7.745 1.00 0.00 C ATOM 1775 OE1 GLN A 112 16.026 7.346 8.821 1.00 0.00 O ATOM 1776 NE2 GLN A 112 14.402 8.265 7.588 1.00 0.00 N ATOM 0 H GLN A 112 15.187 8.167 4.163 1.00 0.00 H new ATOM 0 HA GLN A 112 17.169 10.210 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.442 9.703 6.457 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.735 9.719 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.093 7.106 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.494 7.393 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.106 8.618 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.756 8.284 8.377 1.00 0.00 H new ATOM 1785 N LEU A 113 18.195 7.180 3.680 1.00 0.00 N ATOM 1786 CA LEU A 113 19.373 6.374 3.374 1.00 0.00 C ATOM 1787 C LEU A 113 19.854 6.638 1.953 1.00 0.00 C ATOM 1788 O LEU A 113 20.927 6.184 1.547 1.00 0.00 O ATOM 1789 CB LEU A 113 19.063 4.887 3.554 1.00 0.00 C ATOM 1790 CG LEU A 113 19.324 4.339 4.958 1.00 0.00 C ATOM 1791 CD1 LEU A 113 18.248 3.339 5.348 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.702 3.701 5.034 1.00 0.00 C ATOM 0 H LEU A 113 17.304 6.719 3.493 1.00 0.00 H new ATOM 0 HA LEU A 113 20.166 6.656 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 113 18.016 4.716 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.660 4.318 2.841 1.00 0.00 H new ATOM 0 HG LEU A 113 19.292 5.169 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.450 2.960 6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 113 17.274 3.829 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 113 18.247 2.511 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.870 3.317 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.764 2.882 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.462 4.447 4.799 1.00 0.00 H new ATOM 1804 N VAL A 114 19.056 7.385 1.199 1.00 0.00 N ATOM 1805 CA VAL A 114 19.363 7.689 -0.183 1.00 0.00 C ATOM 1806 C VAL A 114 20.595 8.593 -0.305 1.00 0.00 C ATOM 1807 O VAL A 114 21.557 8.211 -0.979 1.00 0.00 O ATOM 1808 CB VAL A 114 18.145 8.316 -0.888 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.505 8.866 -2.246 1.00 0.00 C ATOM 1810 CG2 VAL A 114 17.053 7.286 -1.032 1.00 0.00 C ATOM 0 H VAL A 114 18.182 7.793 1.532 1.00 0.00 H new ATOM 0 HA VAL A 114 19.601 6.749 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 114 17.796 9.145 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.619 9.299 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.270 9.635 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.887 8.062 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.194 7.734 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.420 6.447 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.755 6.931 -0.045 1.00 0.00 H new ATOM 1820 N PRO A 115 20.607 9.788 0.335 1.00 0.00 N ATOM 1821 CA PRO A 115 21.778 10.673 0.305 1.00 0.00 C ATOM 1822 C PRO A 115 22.971 10.053 1.018 1.00 0.00 C ATOM 1823 O PRO A 115 24.116 10.311 0.666 1.00 0.00 O ATOM 1824 CB PRO A 115 21.309 11.936 1.036 1.00 0.00 C ATOM 1825 CG PRO A 115 20.169 11.487 1.879 1.00 0.00 C ATOM 1826 CD PRO A 115 19.504 10.379 1.115 1.00 0.00 C ATOM 0 HA PRO A 115 22.115 10.869 -0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 115 22.108 12.360 1.644 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.000 12.709 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.516 11.137 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.474 12.306 2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.048 9.648 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.712 10.757 0.468 1.00 0.00 H new ATOM 1834 N LYS A 116 22.693 9.216 2.011 1.00 0.00 N ATOM 1835 CA LYS A 116 23.743 8.506 2.729 1.00 0.00 C ATOM 1836 C LYS A 116 24.484 7.571 1.779 1.00 0.00 C ATOM 1837 O LYS A 116 25.715 7.570 1.715 1.00 0.00 O ATOM 1838 CB LYS A 116 23.141 7.713 3.890 1.00 0.00 C ATOM 1839 CG LYS A 116 24.149 7.338 4.967 1.00 0.00 C ATOM 1840 CD LYS A 116 23.473 6.681 6.157 1.00 0.00 C ATOM 1841 CE LYS A 116 23.192 7.684 7.264 1.00 0.00 C ATOM 1842 NZ LYS A 116 23.508 7.127 8.603 1.00 0.00 N ATOM 0 H LYS A 116 21.748 9.013 2.337 1.00 0.00 H new ATOM 0 HA LYS A 116 24.451 9.231 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.342 8.300 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 116 22.686 6.803 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 116 24.893 6.660 4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 116 24.680 8.231 5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.539 6.220 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 116 24.107 5.882 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.782 8.585 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.143 7.978 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.304 7.840 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.927 6.281 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.515 6.869 8.643 1.00 0.00 H new ATOM 1856 N ARG A 117 23.721 6.792 1.027 1.00 0.00 N ATOM 1857 CA ARG A 117 24.292 5.890 0.038 1.00 0.00 C ATOM 1858 C ARG A 117 24.950 6.675 -1.086 1.00 0.00 C ATOM 1859 O ARG A 117 26.047 6.341 -1.522 1.00 0.00 O ATOM 1860 CB ARG A 117 23.206 4.956 -0.508 1.00 0.00 C ATOM 1861 CG ARG A 117 23.610 4.186 -1.755 1.00 0.00 C ATOM 1862 CD ARG A 117 24.629 3.100 -1.437 1.00 0.00 C ATOM 1863 NE ARG A 117 24.435 1.910 -2.265 1.00 0.00 N ATOM 1864 CZ ARG A 117 23.931 0.760 -1.808 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.638 0.627 -0.518 1.00 0.00 N ATOM 1866 NH2 ARG A 117 23.736 -0.258 -2.640 1.00 0.00 N ATOM 0 H ARG A 117 22.703 6.766 1.083 1.00 0.00 H new ATOM 0 HA ARG A 117 25.061 5.284 0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 117 22.931 4.245 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.316 5.545 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.727 3.736 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.028 4.875 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.635 3.490 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.552 2.827 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 117 24.700 1.961 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 117 23.798 1.403 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.253 -0.251 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 117 23.971 -0.162 -3.628 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.351 -1.136 -2.291 1.00 0.00 H new ATOM 1880 N ASP A 118 24.283 7.727 -1.531 1.00 0.00 N ATOM 1881 CA ASP A 118 24.809 8.595 -2.583 1.00 0.00 C ATOM 1882 C ASP A 118 26.118 9.238 -2.144 1.00 0.00 C ATOM 1883 O ASP A 118 26.998 9.517 -2.961 1.00 0.00 O ATOM 1884 CB ASP A 118 23.777 9.673 -2.929 1.00 0.00 C ATOM 1885 CG ASP A 118 24.310 10.719 -3.886 1.00 0.00 C ATOM 1886 OD1 ASP A 118 24.363 10.443 -5.100 1.00 0.00 O ATOM 1887 OD2 ASP A 118 24.660 11.829 -3.432 1.00 0.00 O ATOM 0 H ASP A 118 23.367 8.006 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 118 25.006 7.992 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.899 9.200 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.449 10.162 -2.012 1.00 0.00 H new ATOM 1892 N HIS A 119 26.253 9.436 -0.843 1.00 0.00 N ATOM 1893 CA HIS A 119 27.450 10.041 -0.286 1.00 0.00 C ATOM 1894 C HIS A 119 28.573 9.023 -0.255 1.00 0.00 C ATOM 1895 O HIS A 119 29.695 9.308 -0.670 1.00 0.00 O ATOM 1896 CB HIS A 119 27.186 10.566 1.128 1.00 0.00 C ATOM 1897 CG HIS A 119 27.961 11.803 1.463 1.00 0.00 C ATOM 1898 ND1 HIS A 119 27.395 12.903 2.064 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.262 12.114 1.265 1.00 0.00 C ATOM 1900 CE1 HIS A 119 28.312 13.838 2.221 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.455 13.385 1.742 1.00 0.00 N ATOM 0 H HIS A 119 25.546 9.186 -0.152 1.00 0.00 H new ATOM 0 HA HIS A 119 27.738 10.881 -0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.122 10.774 1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.434 9.786 1.848 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.010 11.479 0.815 1.00 0.00 H new ATOM 0 HE1 HIS A 119 28.154 14.809 2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.337 13.896 1.729 1.00 0.00 H new ATOM 1910 N ALA A 120 28.251 7.824 0.215 1.00 0.00 N ATOM 1911 CA ALA A 120 29.230 6.755 0.318 1.00 0.00 C ATOM 1912 C ALA A 120 29.685 6.302 -1.065 1.00 0.00 C ATOM 1913 O ALA A 120 30.841 5.940 -1.252 1.00 0.00 O ATOM 1914 CB ALA A 120 28.657 5.580 1.101 1.00 0.00 C ATOM 0 H ALA A 120 27.315 7.569 0.531 1.00 0.00 H new ATOM 0 HA ALA A 120 30.098 7.139 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.404 4.789 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.386 5.909 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.771 5.201 0.592 1.00 0.00 H new ATOM 1920 N LEU A 121 28.774 6.344 -2.032 1.00 0.00 N ATOM 1921 CA LEU A 121 29.088 5.943 -3.399 1.00 0.00 C ATOM 1922 C LEU A 121 30.190 6.824 -3.981 1.00 0.00 C ATOM 1923 O LEU A 121 31.199 6.323 -4.487 1.00 0.00 O ATOM 1924 CB LEU A 121 27.840 6.023 -4.283 1.00 0.00 C ATOM 1925 CG LEU A 121 26.849 4.873 -4.116 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.466 5.298 -4.582 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.315 3.644 -4.879 1.00 0.00 C ATOM 0 H LEU A 121 27.811 6.652 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 121 29.439 4.911 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.324 6.960 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.155 6.061 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 121 26.796 4.615 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.769 4.469 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.128 6.148 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.508 5.582 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.594 2.838 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.399 3.884 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.287 3.328 -4.500 1.00 0.00 H new ATOM 1939 N LEU A 122 29.993 8.134 -3.896 1.00 0.00 N ATOM 1940 CA LEU A 122 30.988 9.086 -4.383 1.00 0.00 C ATOM 1941 C LEU A 122 32.249 9.022 -3.535 1.00 0.00 C ATOM 1942 O LEU A 122 33.357 9.090 -4.061 1.00 0.00 O ATOM 1943 CB LEU A 122 30.417 10.507 -4.380 1.00 0.00 C ATOM 1944 CG LEU A 122 31.133 11.490 -5.307 1.00 0.00 C ATOM 1945 CD1 LEU A 122 30.215 11.929 -6.437 1.00 0.00 C ATOM 1946 CD2 LEU A 122 31.630 12.693 -4.520 1.00 0.00 C ATOM 0 H LEU A 122 29.158 8.562 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 122 31.246 8.817 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.366 10.461 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.455 10.896 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 122 31.994 10.986 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 122 30.744 12.628 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 122 29.909 11.058 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 122 29.333 12.416 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 122 32.138 13.384 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 122 30.784 13.197 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 122 32.325 12.361 -3.749 1.00 0.00 H new ATOM 1958 N GLU A 123 32.080 8.871 -2.233 1.00 0.00 N ATOM 1959 CA GLU A 123 33.218 8.782 -1.331 1.00 0.00 C ATOM 1960 C GLU A 123 34.053 7.543 -1.635 1.00 0.00 C ATOM 1961 O GLU A 123 35.282 7.592 -1.587 1.00 0.00 O ATOM 1962 CB GLU A 123 32.748 8.753 0.119 1.00 0.00 C ATOM 1963 CG GLU A 123 33.403 9.813 0.987 1.00 0.00 C ATOM 1964 CD GLU A 123 33.631 9.335 2.403 1.00 0.00 C ATOM 1965 OE1 GLU A 123 34.316 8.306 2.584 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.111 9.974 3.341 1.00 0.00 O ATOM 0 H GLU A 123 31.170 8.808 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 123 33.840 9.664 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.667 8.890 0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.955 7.770 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.357 10.102 0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 123 32.776 10.704 1.003 1.00 0.00 H new ATOM 1973 N GLU A 124 33.382 6.441 -1.947 1.00 0.00 N ATOM 1974 CA GLU A 124 34.058 5.193 -2.282 1.00 0.00 C ATOM 1975 C GLU A 124 34.833 5.327 -3.580 1.00 0.00 C ATOM 1976 O GLU A 124 36.023 5.029 -3.635 1.00 0.00 O ATOM 1977 CB GLU A 124 33.047 4.048 -2.403 1.00 0.00 C ATOM 1978 CG GLU A 124 33.199 2.972 -1.342 1.00 0.00 C ATOM 1979 CD GLU A 124 34.643 2.713 -0.960 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.361 2.040 -1.733 1.00 0.00 O ATOM 1981 OE2 GLU A 124 35.066 3.176 0.119 1.00 0.00 O ATOM 0 H GLU A 124 32.364 6.386 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 124 34.758 4.968 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.039 4.460 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.149 3.590 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 124 32.641 3.266 -0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 124 32.754 2.046 -1.706 1.00 0.00 H new ATOM 1988 N GLN A 125 34.157 5.799 -4.624 1.00 0.00 N ATOM 1989 CA GLN A 125 34.785 5.941 -5.931 1.00 0.00 C ATOM 1990 C GLN A 125 35.919 6.962 -5.889 1.00 0.00 C ATOM 1991 O GLN A 125 36.839 6.906 -6.701 1.00 0.00 O ATOM 1992 CB GLN A 125 33.750 6.316 -6.997 1.00 0.00 C ATOM 1993 CG GLN A 125 33.300 7.768 -6.960 1.00 0.00 C ATOM 1994 CD GLN A 125 32.693 8.216 -8.274 1.00 0.00 C ATOM 1995 OE1 GLN A 125 33.254 9.053 -8.976 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.552 7.645 -8.625 1.00 0.00 N ATOM 0 H GLN A 125 33.179 6.088 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 125 35.215 4.976 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 125 34.168 6.104 -7.981 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.876 5.675 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 125 32.570 7.899 -6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 125 34.152 8.404 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.118 6.954 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.106 7.896 -9.507 1.00 0.00 H new ATOM 2005 N SER A 126 35.862 7.876 -4.928 1.00 0.00 N ATOM 2006 CA SER A 126 36.913 8.876 -4.767 1.00 0.00 C ATOM 2007 C SER A 126 38.166 8.264 -4.135 1.00 0.00 C ATOM 2008 O SER A 126 39.234 8.874 -4.136 1.00 0.00 O ATOM 2009 CB SER A 126 36.412 10.056 -3.931 1.00 0.00 C ATOM 2010 OG SER A 126 36.034 11.139 -4.764 1.00 0.00 O ATOM 0 H SER A 126 35.103 7.946 -4.250 1.00 0.00 H new ATOM 0 HA SER A 126 37.180 9.242 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.561 9.743 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.193 10.377 -3.242 1.00 0.00 H new ATOM 0 HG SER A 126 35.715 11.882 -4.210 1.00 0.00 H new ATOM 2016 N LYS A 127 38.034 7.056 -3.603 1.00 0.00 N ATOM 2017 CA LYS A 127 39.179 6.341 -3.056 1.00 0.00 C ATOM 2018 C LYS A 127 39.792 5.453 -4.125 1.00 0.00 C ATOM 2019 O LYS A 127 40.900 4.942 -3.970 1.00 0.00 O ATOM 2020 CB LYS A 127 38.768 5.486 -1.855 1.00 0.00 C ATOM 2021 CG LYS A 127 37.924 6.230 -0.839 1.00 0.00 C ATOM 2022 CD LYS A 127 37.745 5.426 0.436 1.00 0.00 C ATOM 2023 CE LYS A 127 36.538 5.898 1.234 1.00 0.00 C ATOM 2024 NZ LYS A 127 36.245 7.341 1.017 1.00 0.00 N ATOM 0 H LYS A 127 37.149 6.553 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 127 39.912 7.076 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 127 38.212 4.619 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.665 5.110 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 127 38.394 7.185 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 127 36.948 6.452 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 127 37.627 4.371 0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.642 5.511 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 127 35.666 5.307 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 127 36.715 5.721 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 35.580 7.673 1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.128 7.888 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 35.822 7.472 0.076 1.00 0.00 H new ATOM 2038 N GLN A 128 39.063 5.280 -5.215 1.00 0.00 N ATOM 2039 CA GLN A 128 39.474 4.396 -6.280 1.00 0.00 C ATOM 2040 C GLN A 128 40.038 5.187 -7.451 1.00 0.00 C ATOM 2041 O GLN A 128 40.913 6.038 -7.275 1.00 0.00 O ATOM 2042 CB GLN A 128 38.278 3.560 -6.718 1.00 0.00 C ATOM 2043 CG GLN A 128 37.440 3.052 -5.556 1.00 0.00 C ATOM 2044 CD GLN A 128 37.137 1.569 -5.645 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.595 0.879 -6.554 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.359 1.072 -4.697 1.00 0.00 N ATOM 0 H GLN A 128 38.173 5.749 -5.381 1.00 0.00 H new ATOM 0 HA GLN A 128 40.264 3.737 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 128 37.648 4.157 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 128 38.632 2.709 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.964 3.254 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 128 36.502 3.607 -5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.000 1.680 -3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 128 36.118 0.081 -4.702 1.00 0.00 H new ATOM 2055 N GLN A 129 39.528 4.905 -8.639 1.00 0.00 N ATOM 2056 CA GLN A 129 39.988 5.558 -9.855 1.00 0.00 C ATOM 2057 C GLN A 129 38.803 6.162 -10.597 1.00 0.00 C ATOM 2058 O GLN A 129 37.746 6.354 -9.961 1.00 0.00 O ATOM 2059 CB GLN A 129 40.730 4.565 -10.759 1.00 0.00 C ATOM 2060 CG GLN A 129 41.530 3.515 -10.002 1.00 0.00 C ATOM 2061 CD GLN A 129 42.235 2.534 -10.918 1.00 0.00 C ATOM 2062 OE1 GLN A 129 43.250 1.940 -10.548 1.00 0.00 O ATOM 2063 NE2 GLN A 129 41.707 2.354 -12.120 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.927 6.445 -11.807 1.00 0.00 O ATOM 0 H GLN A 129 38.787 4.220 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 129 40.682 6.353 -9.582 1.00 0.00 H new ATOM 0 HB2 GLN A 129 40.006 4.062 -11.400 1.00 0.00 H new ATOM 0 HB3 GLN A 129 41.404 5.119 -11.413 1.00 0.00 H new ATOM 0 HG2 GLN A 129 42.269 4.012 -9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 129 40.862 2.967 -9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 129 40.866 2.864 -12.389 1.00 0.00 H new ATOM 0 HE22 GLN A 129 42.142 1.705 -12.776 1.00 0.00 H new