USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=20 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 75 HIS : no HE2:sc= -0.495 K(o=-1.1,f=-4.8!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.607 K(o=-1.1,f=-3.9) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.93 K(o=3.4,f=-12!) USER MOD Set 2.2: A 106 LYS NZ :NH3+ -138:sc= 2.49 (180deg=-0.0895) USER MOD Single : A 12 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.4) USER MOD Single : A 14 HIS : no HE2:sc= -0.959 K(o=-0.96,f=-8.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc=-0.000683 (180deg=-0.13) USER MOD Single : A 26 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0021) USER MOD Single : A 28 MET CE :methyl -109:sc= -1.06 (180deg=-2.16) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 32 MET CE :methyl -123:sc= -1.01 (180deg=-4!) USER MOD Single : A 36 GLN : amide:sc= -0.306! X(o=-0.31!,f=-0.25) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 52 SER OG : rot 75:sc= 1.22 USER MOD Single : A 54 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.31 (180deg=1.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 128:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -160:sc= -1.1 USER MOD Single : A 101 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.11) USER MOD Single : A 104 ASN : amide:sc= -0.404 K(o=-0.4,f=-6.9!) USER MOD Single : A 105 SER OG : rot 88:sc= 0.0568 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.057) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.36 K(o=-1.4,f=-0.036) USER MOD Single : A 126 SER OG : rot 88:sc= 1.29 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 129 GLN : amide:sc= 0.861 K(o=0.86,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -18.375 -5.783 3.154 1.00 0.00 N ATOM 109 CA GLU A 8 -18.108 -6.574 1.960 1.00 0.00 C ATOM 110 C GLU A 8 -17.820 -5.699 0.744 1.00 0.00 C ATOM 111 O GLU A 8 -17.034 -6.079 -0.127 1.00 0.00 O ATOM 112 CB GLU A 8 -19.276 -7.513 1.666 1.00 0.00 C ATOM 113 CG GLU A 8 -19.577 -8.484 2.801 1.00 0.00 C ATOM 114 CD GLU A 8 -18.589 -9.631 2.882 1.00 0.00 C ATOM 115 OE1 GLU A 8 -17.451 -9.416 3.349 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.953 -10.758 2.493 1.00 0.00 O ATOM 0 HA GLU A 8 -17.214 -7.165 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -20.167 -6.919 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.057 -8.081 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.572 -7.941 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.581 -8.886 2.670 1.00 0.00 H new ATOM 123 N ALA A 9 -18.428 -4.520 0.689 1.00 0.00 N ATOM 124 CA ALA A 9 -18.273 -3.654 -0.471 1.00 0.00 C ATOM 125 C ALA A 9 -16.884 -3.046 -0.501 1.00 0.00 C ATOM 126 O ALA A 9 -16.304 -2.851 -1.569 1.00 0.00 O ATOM 127 CB ALA A 9 -19.325 -2.561 -0.481 1.00 0.00 C ATOM 0 H ALA A 9 -19.026 -4.146 1.426 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.407 -4.264 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.185 -1.929 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.317 -3.011 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.230 -1.956 0.421 1.00 0.00 H new ATOM 133 N ILE A 10 -16.350 -2.769 0.677 1.00 0.00 N ATOM 134 CA ILE A 10 -15.022 -2.186 0.779 1.00 0.00 C ATOM 135 C ILE A 10 -13.966 -3.282 0.806 1.00 0.00 C ATOM 136 O ILE A 10 -12.780 -3.030 0.588 1.00 0.00 O ATOM 137 CB ILE A 10 -14.877 -1.288 2.021 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.861 -2.124 3.300 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.999 -0.257 2.072 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.553 -2.056 4.047 1.00 0.00 C ATOM 0 H ILE A 10 -16.812 -2.937 1.571 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.876 -1.559 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.926 -0.761 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.663 -1.785 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.073 -3.163 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.879 0.368 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.961 0.367 1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.961 -0.768 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.614 -2.673 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.750 -2.423 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.349 -1.023 4.330 1.00 0.00 H new ATOM 152 N ASP A 11 -14.407 -4.506 1.067 1.00 0.00 N ATOM 153 CA ASP A 11 -13.512 -5.650 1.055 1.00 0.00 C ATOM 154 C ASP A 11 -13.138 -6.001 -0.369 1.00 0.00 C ATOM 155 O ASP A 11 -12.062 -6.525 -0.624 1.00 0.00 O ATOM 156 CB ASP A 11 -14.151 -6.857 1.738 1.00 0.00 C ATOM 157 CG ASP A 11 -13.116 -7.759 2.375 1.00 0.00 C ATOM 158 OD1 ASP A 11 -12.222 -7.242 3.079 1.00 0.00 O ATOM 159 OD2 ASP A 11 -13.190 -8.989 2.173 1.00 0.00 O ATOM 0 H ASP A 11 -15.377 -4.729 1.289 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.613 -5.382 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.852 -6.514 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.727 -7.425 1.007 1.00 0.00 H new ATOM 164 N GLN A 12 -14.024 -5.677 -1.306 1.00 0.00 N ATOM 165 CA GLN A 12 -13.784 -5.959 -2.714 1.00 0.00 C ATOM 166 C GLN A 12 -12.756 -5.007 -3.318 1.00 0.00 C ATOM 167 O GLN A 12 -12.335 -5.183 -4.461 1.00 0.00 O ATOM 168 CB GLN A 12 -15.099 -5.893 -3.484 1.00 0.00 C ATOM 169 CG GLN A 12 -16.054 -7.016 -3.128 1.00 0.00 C ATOM 170 CD GLN A 12 -15.329 -8.313 -2.828 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.853 -9.000 -3.734 1.00 0.00 O ATOM 172 NE2 GLN A 12 -15.232 -8.653 -1.554 1.00 0.00 N ATOM 0 H GLN A 12 -14.915 -5.219 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.371 -6.965 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.582 -4.936 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.889 -5.928 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.647 -6.725 -2.261 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.750 -7.173 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.640 -8.056 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.749 -9.512 -1.291 1.00 0.00 H new ATOM 181 N LEU A 13 -12.364 -3.996 -2.560 1.00 0.00 N ATOM 182 CA LEU A 13 -11.248 -3.150 -2.954 1.00 0.00 C ATOM 183 C LEU A 13 -10.092 -3.347 -1.980 1.00 0.00 C ATOM 184 O LEU A 13 -9.000 -2.820 -2.177 1.00 0.00 O ATOM 185 CB LEU A 13 -11.652 -1.670 -3.026 1.00 0.00 C ATOM 186 CG LEU A 13 -12.628 -1.184 -1.953 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.014 -0.041 -1.162 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.937 -0.740 -2.588 1.00 0.00 C ATOM 0 H LEU A 13 -12.799 -3.742 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.933 -3.443 -3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.748 -1.065 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.097 -1.483 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.834 -2.010 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.719 0.295 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.097 -0.382 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.785 0.785 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.620 -0.397 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.745 0.074 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.385 -1.578 -3.121 1.00 0.00 H new ATOM 200 N HIS A 14 -10.344 -4.127 -0.932 1.00 0.00 N ATOM 201 CA HIS A 14 -9.323 -4.451 0.057 1.00 0.00 C ATOM 202 C HIS A 14 -8.170 -5.209 -0.584 1.00 0.00 C ATOM 203 O HIS A 14 -7.004 -4.970 -0.264 1.00 0.00 O ATOM 204 CB HIS A 14 -9.911 -5.304 1.183 1.00 0.00 C ATOM 205 CG HIS A 14 -10.125 -4.564 2.462 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.919 -5.042 3.479 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.652 -3.373 2.885 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.928 -4.178 4.472 1.00 0.00 C ATOM 209 NE2 HIS A 14 -10.167 -3.147 4.141 1.00 0.00 N ATOM 0 H HIS A 14 -11.254 -4.549 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.954 -3.511 0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.864 -5.717 0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.246 -6.147 1.371 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.423 -5.929 3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.991 -2.717 2.338 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.466 -4.291 5.401 1.00 0.00 H new ATOM 218 N LEU A 15 -8.497 -6.122 -1.496 1.00 0.00 N ATOM 219 CA LEU A 15 -7.471 -6.949 -2.111 1.00 0.00 C ATOM 220 C LEU A 15 -6.614 -6.143 -3.070 1.00 0.00 C ATOM 221 O LEU A 15 -5.493 -6.523 -3.376 1.00 0.00 O ATOM 222 CB LEU A 15 -8.032 -8.201 -2.813 1.00 0.00 C ATOM 223 CG LEU A 15 -9.359 -8.108 -3.593 1.00 0.00 C ATOM 224 CD1 LEU A 15 -10.551 -8.091 -2.666 1.00 0.00 C ATOM 225 CD2 LEU A 15 -9.390 -6.923 -4.544 1.00 0.00 C ATOM 0 H LEU A 15 -9.447 -6.303 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.847 -7.304 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.270 -8.554 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.154 -8.973 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.422 -9.010 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.467 -8.025 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.565 -9.006 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.483 -7.230 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.345 -6.903 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.267 -5.999 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.580 -7.016 -5.268 1.00 0.00 H new ATOM 237 N GLU A 16 -7.153 -5.032 -3.529 1.00 0.00 N ATOM 238 CA GLU A 16 -6.419 -4.126 -4.405 1.00 0.00 C ATOM 239 C GLU A 16 -5.263 -3.494 -3.645 1.00 0.00 C ATOM 240 O GLU A 16 -4.159 -3.352 -4.172 1.00 0.00 O ATOM 241 CB GLU A 16 -7.351 -3.045 -4.960 1.00 0.00 C ATOM 242 CG GLU A 16 -6.653 -2.031 -5.852 1.00 0.00 C ATOM 243 CD GLU A 16 -6.514 -2.506 -7.281 1.00 0.00 C ATOM 244 OE1 GLU A 16 -5.585 -3.290 -7.564 1.00 0.00 O ATOM 245 OE2 GLU A 16 -7.331 -2.095 -8.134 1.00 0.00 O ATOM 0 H GLU A 16 -8.102 -4.729 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.019 -4.695 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.150 -3.523 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.820 -2.520 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.212 -1.095 -5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.664 -1.818 -5.447 1.00 0.00 H new ATOM 252 N TYR A 17 -5.518 -3.136 -2.394 1.00 0.00 N ATOM 253 CA TYR A 17 -4.469 -2.636 -1.520 1.00 0.00 C ATOM 254 C TYR A 17 -3.434 -3.737 -1.327 1.00 0.00 C ATOM 255 O TYR A 17 -2.237 -3.515 -1.489 1.00 0.00 O ATOM 256 CB TYR A 17 -5.069 -2.186 -0.173 1.00 0.00 C ATOM 257 CG TYR A 17 -4.102 -1.538 0.812 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.878 -2.118 1.131 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.438 -0.353 1.448 1.00 0.00 C ATOM 260 CE1 TYR A 17 -2.024 -1.538 2.046 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.585 0.238 2.363 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.380 -0.358 2.662 1.00 0.00 C ATOM 263 OH TYR A 17 -1.532 0.225 3.577 1.00 0.00 O ATOM 0 H TYR A 17 -6.441 -3.183 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.986 -1.768 -1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.875 -1.481 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.518 -3.054 0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.590 -3.042 0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.384 0.118 1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.080 -2.007 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.864 1.165 2.842 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.935 1.052 3.916 1.00 0.00 H new ATOM 273 N ALA A 18 -3.913 -4.941 -1.030 1.00 0.00 N ATOM 274 CA ALA A 18 -3.039 -6.086 -0.795 1.00 0.00 C ATOM 275 C ALA A 18 -2.295 -6.496 -2.063 1.00 0.00 C ATOM 276 O ALA A 18 -1.227 -7.100 -1.991 1.00 0.00 O ATOM 277 CB ALA A 18 -3.847 -7.257 -0.244 1.00 0.00 C ATOM 0 H ALA A 18 -4.908 -5.150 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.291 -5.792 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.186 -8.106 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.315 -6.966 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.618 -7.537 -0.962 1.00 0.00 H new ATOM 283 N LYS A 19 -2.857 -6.168 -3.221 1.00 0.00 N ATOM 284 CA LYS A 19 -2.224 -6.496 -4.491 1.00 0.00 C ATOM 285 C LYS A 19 -1.181 -5.457 -4.865 1.00 0.00 C ATOM 286 O LYS A 19 -0.233 -5.755 -5.581 1.00 0.00 O ATOM 287 CB LYS A 19 -3.268 -6.603 -5.601 1.00 0.00 C ATOM 288 CG LYS A 19 -3.329 -7.983 -6.236 1.00 0.00 C ATOM 289 CD LYS A 19 -3.859 -9.020 -5.259 1.00 0.00 C ATOM 290 CE LYS A 19 -2.736 -9.834 -4.640 1.00 0.00 C ATOM 291 NZ LYS A 19 -2.108 -10.757 -5.621 1.00 0.00 N ATOM 0 H LYS A 19 -3.747 -5.677 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.728 -7.460 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.248 -6.354 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.046 -5.865 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.969 -7.951 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.334 -8.274 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.425 -8.522 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.550 -9.687 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.978 -9.160 -4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.126 -10.409 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.576 -11.493 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.847 -11.202 -6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.461 -10.223 -6.235 1.00 0.00 H new ATOM 305 N ARG A 20 -1.359 -4.238 -4.384 1.00 0.00 N ATOM 306 CA ARG A 20 -0.425 -3.166 -4.695 1.00 0.00 C ATOM 307 C ARG A 20 0.665 -3.077 -3.639 1.00 0.00 C ATOM 308 O ARG A 20 1.825 -2.813 -3.950 1.00 0.00 O ATOM 309 CB ARG A 20 -1.162 -1.832 -4.811 1.00 0.00 C ATOM 310 CG ARG A 20 -1.647 -1.515 -6.217 1.00 0.00 C ATOM 311 CD ARG A 20 -2.362 -0.172 -6.274 1.00 0.00 C ATOM 312 NE ARG A 20 -1.643 0.799 -7.095 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.221 1.596 -7.993 1.00 0.00 C ATOM 314 NH1 ARG A 20 -3.532 1.551 -8.183 1.00 0.00 N ATOM 315 NH2 ARG A 20 -1.483 2.438 -8.703 1.00 0.00 N ATOM 0 H ARG A 20 -2.135 -3.966 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 20 0.043 -3.390 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.018 -1.841 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.501 -1.033 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.799 -1.506 -6.902 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.321 -2.301 -6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.366 -0.313 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.475 0.221 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.633 0.872 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.104 0.904 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.969 2.164 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.474 2.475 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.925 3.048 -9.391 1.00 0.00 H new ATOM 329 N ALA A 21 0.290 -3.312 -2.392 1.00 0.00 N ATOM 330 CA ALA A 21 1.244 -3.298 -1.295 1.00 0.00 C ATOM 331 C ALA A 21 2.199 -4.476 -1.409 1.00 0.00 C ATOM 332 O ALA A 21 3.309 -4.435 -0.885 1.00 0.00 O ATOM 333 CB ALA A 21 0.521 -3.335 0.043 1.00 0.00 C ATOM 0 H ALA A 21 -0.670 -3.515 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 21 1.819 -2.374 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.252 -3.324 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.129 -2.464 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.078 -4.243 0.108 1.00 0.00 H new ATOM 339 N ALA A 22 1.766 -5.516 -2.117 1.00 0.00 N ATOM 340 CA ALA A 22 2.553 -6.742 -2.224 1.00 0.00 C ATOM 341 C ALA A 22 3.891 -6.510 -2.947 1.00 0.00 C ATOM 342 O ALA A 22 4.950 -6.743 -2.361 1.00 0.00 O ATOM 343 CB ALA A 22 1.750 -7.849 -2.897 1.00 0.00 C ATOM 0 H ALA A 22 0.880 -5.535 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 22 2.790 -7.061 -1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.359 -8.751 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.856 -8.058 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.461 -7.531 -3.899 1.00 0.00 H new ATOM 349 N PRO A 23 3.890 -6.040 -4.220 1.00 0.00 N ATOM 350 CA PRO A 23 5.137 -5.787 -4.945 1.00 0.00 C ATOM 351 C PRO A 23 5.889 -4.595 -4.371 1.00 0.00 C ATOM 352 O PRO A 23 7.115 -4.542 -4.411 1.00 0.00 O ATOM 353 CB PRO A 23 4.680 -5.501 -6.378 1.00 0.00 C ATOM 354 CG PRO A 23 3.279 -5.014 -6.241 1.00 0.00 C ATOM 355 CD PRO A 23 2.706 -5.727 -5.048 1.00 0.00 C ATOM 0 HA PRO A 23 5.828 -6.627 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.314 -4.753 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.728 -6.398 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.254 -3.934 -6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.701 -5.231 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.996 -5.099 -4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.173 -6.631 -5.341 1.00 0.00 H new ATOM 363 N PHE A 24 5.141 -3.656 -3.813 1.00 0.00 N ATOM 364 CA PHE A 24 5.725 -2.471 -3.205 1.00 0.00 C ATOM 365 C PHE A 24 6.546 -2.845 -1.978 1.00 0.00 C ATOM 366 O PHE A 24 7.654 -2.343 -1.783 1.00 0.00 O ATOM 367 CB PHE A 24 4.620 -1.481 -2.829 1.00 0.00 C ATOM 368 CG PHE A 24 5.129 -0.136 -2.390 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.349 0.344 -2.840 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.388 0.643 -1.523 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.816 1.576 -2.434 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.850 1.875 -1.109 1.00 0.00 C ATOM 373 CZ PHE A 24 6.067 2.343 -1.566 1.00 0.00 C ATOM 0 H PHE A 24 4.123 -3.692 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 24 6.391 -1.999 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.960 -1.346 -3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.019 -1.910 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.941 -0.254 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.435 0.283 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.767 1.940 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.261 2.473 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.431 3.307 -1.244 1.00 0.00 H new ATOM 383 N ASN A 25 6.020 -3.750 -1.169 1.00 0.00 N ATOM 384 CA ASN A 25 6.713 -4.169 0.041 1.00 0.00 C ATOM 385 C ASN A 25 7.888 -5.054 -0.317 1.00 0.00 C ATOM 386 O ASN A 25 8.886 -5.111 0.398 1.00 0.00 O ATOM 387 CB ASN A 25 5.763 -4.905 0.989 1.00 0.00 C ATOM 388 CG ASN A 25 6.138 -4.717 2.449 1.00 0.00 C ATOM 389 OD1 ASN A 25 7.105 -4.026 2.775 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.370 -5.325 3.338 1.00 0.00 N ATOM 0 H ASN A 25 5.122 -4.207 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 25 7.080 -3.280 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.746 -4.547 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.768 -5.968 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.569 -5.230 4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.578 -5.888 3.028 1.00 0.00 H new ATOM 397 N ASN A 26 7.773 -5.706 -1.460 1.00 0.00 N ATOM 398 CA ASN A 26 8.827 -6.584 -1.950 1.00 0.00 C ATOM 399 C ASN A 26 9.976 -5.744 -2.482 1.00 0.00 C ATOM 400 O ASN A 26 11.147 -6.067 -2.291 1.00 0.00 O ATOM 401 CB ASN A 26 8.290 -7.507 -3.051 1.00 0.00 C ATOM 402 CG ASN A 26 7.865 -8.865 -2.529 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.664 -9.799 -2.451 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.597 -8.991 -2.177 1.00 0.00 N ATOM 0 H ASN A 26 6.958 -5.645 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 26 9.183 -7.206 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.440 -7.028 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.058 -7.641 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.251 -9.884 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.964 -8.195 -2.256 1.00 0.00 H new ATOM 411 N TRP A 27 9.622 -4.644 -3.131 1.00 0.00 N ATOM 412 CA TRP A 27 10.597 -3.707 -3.660 1.00 0.00 C ATOM 413 C TRP A 27 11.342 -3.035 -2.516 1.00 0.00 C ATOM 414 O TRP A 27 12.572 -2.963 -2.517 1.00 0.00 O ATOM 415 CB TRP A 27 9.877 -2.664 -4.523 1.00 0.00 C ATOM 416 CG TRP A 27 10.753 -1.548 -5.018 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.551 -1.560 -6.123 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.903 -0.253 -4.429 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.191 -0.348 -6.254 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.811 0.469 -5.225 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.359 0.363 -3.303 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.184 1.778 -4.929 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.730 1.661 -3.009 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.637 2.357 -3.820 1.00 0.00 C ATOM 0 H TRP A 27 8.653 -4.378 -3.304 1.00 0.00 H new ATOM 0 HA TRP A 27 11.323 -4.238 -4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.432 -3.167 -5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.058 -2.236 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.665 -2.397 -6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.843 -0.100 -6.998 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.660 -0.165 -2.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.881 2.316 -5.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.314 2.148 -2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.908 3.370 -3.563 1.00 0.00 H new ATOM 435 N MET A 28 10.582 -2.564 -1.535 1.00 0.00 N ATOM 436 CA MET A 28 11.148 -1.886 -0.380 1.00 0.00 C ATOM 437 C MET A 28 12.086 -2.807 0.385 1.00 0.00 C ATOM 438 O MET A 28 13.111 -2.366 0.901 1.00 0.00 O ATOM 439 CB MET A 28 10.039 -1.391 0.545 1.00 0.00 C ATOM 440 CG MET A 28 9.587 0.025 0.243 1.00 0.00 C ATOM 441 SD MET A 28 8.976 0.881 1.704 1.00 0.00 S ATOM 442 CE MET A 28 7.226 0.517 1.594 1.00 0.00 C ATOM 0 H MET A 28 9.565 -2.641 -1.519 1.00 0.00 H new ATOM 0 HA MET A 28 11.719 -1.030 -0.740 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.184 -2.062 0.465 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.388 -1.441 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.420 0.586 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.803 -0.001 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.682 1.422 1.324 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.060 -0.246 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.869 0.153 2.557 1.00 0.00 H new ATOM 452 N GLU A 29 11.733 -4.088 0.439 1.00 0.00 N ATOM 453 CA GLU A 29 12.540 -5.080 1.132 1.00 0.00 C ATOM 454 C GLU A 29 13.926 -5.175 0.510 1.00 0.00 C ATOM 455 O GLU A 29 14.927 -4.992 1.198 1.00 0.00 O ATOM 456 CB GLU A 29 11.859 -6.451 1.099 1.00 0.00 C ATOM 457 CG GLU A 29 10.948 -6.717 2.289 1.00 0.00 C ATOM 458 CD GLU A 29 11.608 -6.422 3.621 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.727 -6.922 3.866 1.00 0.00 O ATOM 460 OE2 GLU A 29 11.001 -5.694 4.439 1.00 0.00 O ATOM 0 H GLU A 29 10.888 -4.462 0.008 1.00 0.00 H new ATOM 0 HA GLU A 29 12.642 -4.764 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.276 -6.534 0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.625 -7.225 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.049 -6.109 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.631 -7.760 2.270 1.00 0.00 H new ATOM 467 N SER A 30 13.983 -5.428 -0.794 1.00 0.00 N ATOM 468 CA SER A 30 15.258 -5.581 -1.480 1.00 0.00 C ATOM 469 C SER A 30 16.038 -4.269 -1.489 1.00 0.00 C ATOM 470 O SER A 30 17.256 -4.256 -1.300 1.00 0.00 O ATOM 471 CB SER A 30 15.026 -6.067 -2.910 1.00 0.00 C ATOM 472 OG SER A 30 13.792 -6.757 -3.017 1.00 0.00 O ATOM 0 H SER A 30 13.164 -5.531 -1.393 1.00 0.00 H new ATOM 0 HA SER A 30 15.849 -6.321 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.032 -5.217 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.842 -6.724 -3.212 1.00 0.00 H new ATOM 0 HG SER A 30 13.664 -7.057 -3.941 1.00 0.00 H new ATOM 478 N ALA A 31 15.328 -3.163 -1.686 1.00 0.00 N ATOM 479 CA ALA A 31 15.963 -1.854 -1.766 1.00 0.00 C ATOM 480 C ALA A 31 16.581 -1.457 -0.431 1.00 0.00 C ATOM 481 O ALA A 31 17.752 -1.080 -0.366 1.00 0.00 O ATOM 482 CB ALA A 31 14.960 -0.808 -2.209 1.00 0.00 C ATOM 0 H ALA A 31 14.314 -3.148 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 31 16.763 -1.915 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.449 0.165 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.568 -1.073 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.141 -0.762 -1.491 1.00 0.00 H new ATOM 488 N MET A 32 15.795 -1.559 0.633 1.00 0.00 N ATOM 489 CA MET A 32 16.272 -1.206 1.964 1.00 0.00 C ATOM 490 C MET A 32 17.326 -2.198 2.431 1.00 0.00 C ATOM 491 O MET A 32 18.179 -1.870 3.251 1.00 0.00 O ATOM 492 CB MET A 32 15.118 -1.160 2.966 1.00 0.00 C ATOM 493 CG MET A 32 15.311 -0.116 4.051 1.00 0.00 C ATOM 494 SD MET A 32 14.190 -0.337 5.446 1.00 0.00 S ATOM 495 CE MET A 32 12.603 -0.281 4.617 1.00 0.00 C ATOM 0 H MET A 32 14.828 -1.882 0.601 1.00 0.00 H new ATOM 0 HA MET A 32 16.719 -0.213 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.190 -0.954 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.008 -2.140 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.340 -0.157 4.408 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.161 0.876 3.625 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.993 0.511 5.052 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.754 -0.082 3.556 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.095 -1.238 4.738 1.00 0.00 H new ATOM 505 N GLU A 33 17.262 -3.406 1.892 1.00 0.00 N ATOM 506 CA GLU A 33 18.232 -4.445 2.207 1.00 0.00 C ATOM 507 C GLU A 33 19.597 -4.077 1.645 1.00 0.00 C ATOM 508 O GLU A 33 20.616 -4.204 2.328 1.00 0.00 O ATOM 509 CB GLU A 33 17.779 -5.789 1.638 1.00 0.00 C ATOM 510 CG GLU A 33 17.662 -6.888 2.682 1.00 0.00 C ATOM 511 CD GLU A 33 18.171 -8.220 2.177 1.00 0.00 C ATOM 512 OE1 GLU A 33 17.763 -8.641 1.073 1.00 0.00 O ATOM 513 OE2 GLU A 33 18.978 -8.857 2.884 1.00 0.00 O ATOM 0 H GLU A 33 16.542 -3.693 1.229 1.00 0.00 H new ATOM 0 HA GLU A 33 18.306 -4.531 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.813 -5.660 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.485 -6.104 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.223 -6.601 3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.619 -6.991 2.982 1.00 0.00 H new ATOM 520 N ASP A 34 19.607 -3.606 0.401 1.00 0.00 N ATOM 521 CA ASP A 34 20.845 -3.168 -0.231 1.00 0.00 C ATOM 522 C ASP A 34 21.352 -1.918 0.455 1.00 0.00 C ATOM 523 O ASP A 34 22.521 -1.828 0.813 1.00 0.00 O ATOM 524 CB ASP A 34 20.634 -2.879 -1.721 1.00 0.00 C ATOM 525 CG ASP A 34 21.942 -2.682 -2.479 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.700 -1.734 -2.156 1.00 0.00 O ATOM 527 OD2 ASP A 34 22.212 -3.465 -3.415 1.00 0.00 O ATOM 0 H ASP A 34 18.777 -3.519 -0.185 1.00 0.00 H new ATOM 0 HA ASP A 34 21.577 -3.970 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.080 -3.703 -2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 34 20.019 -1.985 -1.829 1.00 0.00 H new ATOM 532 N LEU A 35 20.446 -0.973 0.669 1.00 0.00 N ATOM 533 CA LEU A 35 20.803 0.325 1.230 1.00 0.00 C ATOM 534 C LEU A 35 21.315 0.186 2.658 1.00 0.00 C ATOM 535 O LEU A 35 22.121 0.997 3.120 1.00 0.00 O ATOM 536 CB LEU A 35 19.597 1.268 1.190 1.00 0.00 C ATOM 537 CG LEU A 35 19.643 2.337 0.092 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.842 1.700 -1.275 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.371 3.168 0.103 1.00 0.00 C ATOM 0 H LEU A 35 19.453 -1.081 0.462 1.00 0.00 H new ATOM 0 HA LEU A 35 21.605 0.746 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.694 0.672 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.512 1.765 2.156 1.00 0.00 H new ATOM 0 HG LEU A 35 20.491 2.992 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.871 2.478 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.781 1.146 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 35 19.017 1.019 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.422 3.921 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.512 2.520 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.266 3.659 1.070 1.00 0.00 H new ATOM 551 N GLN A 36 20.850 -0.850 3.344 1.00 0.00 N ATOM 552 CA GLN A 36 21.274 -1.124 4.712 1.00 0.00 C ATOM 553 C GLN A 36 22.726 -1.585 4.752 1.00 0.00 C ATOM 554 O GLN A 36 23.449 -1.321 5.715 1.00 0.00 O ATOM 555 CB GLN A 36 20.391 -2.201 5.334 1.00 0.00 C ATOM 556 CG GLN A 36 19.892 -1.840 6.719 1.00 0.00 C ATOM 557 CD GLN A 36 18.486 -2.342 6.991 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.168 -2.765 8.101 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.633 -2.305 5.979 1.00 0.00 N ATOM 0 H GLN A 36 20.175 -1.519 2.973 1.00 0.00 H new ATOM 0 HA GLN A 36 21.180 -0.199 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.536 -2.381 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.952 -3.134 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.571 -2.256 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 36 19.914 -0.757 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.933 -1.947 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.676 -2.634 6.106 1.00 0.00 H new ATOM 568 N ASP A 37 23.136 -2.276 3.699 1.00 0.00 N ATOM 569 CA ASP A 37 24.481 -2.832 3.614 1.00 0.00 C ATOM 570 C ASP A 37 25.494 -1.761 3.239 1.00 0.00 C ATOM 571 O ASP A 37 25.156 -0.581 3.111 1.00 0.00 O ATOM 572 CB ASP A 37 24.521 -3.964 2.581 1.00 0.00 C ATOM 573 CG ASP A 37 25.371 -5.133 3.033 1.00 0.00 C ATOM 574 OD1 ASP A 37 26.580 -4.934 3.289 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.837 -6.260 3.126 1.00 0.00 O ATOM 0 H ASP A 37 22.552 -2.467 2.885 1.00 0.00 H new ATOM 0 HA ASP A 37 24.743 -3.227 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.506 -4.311 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.911 -3.578 1.639 1.00 0.00 H new ATOM 580 N MET A 38 26.734 -2.174 3.068 1.00 0.00 N ATOM 581 CA MET A 38 27.791 -1.274 2.648 1.00 0.00 C ATOM 582 C MET A 38 28.448 -1.815 1.395 1.00 0.00 C ATOM 583 O MET A 38 28.583 -3.029 1.230 1.00 0.00 O ATOM 584 CB MET A 38 28.831 -1.078 3.753 1.00 0.00 C ATOM 585 CG MET A 38 29.370 0.345 3.833 1.00 0.00 C ATOM 586 SD MET A 38 28.601 1.460 2.636 1.00 0.00 S ATOM 587 CE MET A 38 28.622 2.998 3.557 1.00 0.00 C ATOM 0 H MET A 38 27.037 -3.137 3.215 1.00 0.00 H new ATOM 0 HA MET A 38 27.350 -0.300 2.436 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.386 -1.344 4.712 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.661 -1.764 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.208 0.733 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.447 0.329 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 38 28.179 3.790 2.953 1.00 0.00 H new ATOM 0 HE2 MET A 38 28.049 2.879 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 38 29.651 3.261 3.802 1.00 0.00 H new ATOM 597 N PHE A 39 28.849 -0.919 0.515 1.00 0.00 N ATOM 598 CA PHE A 39 29.397 -1.306 -0.768 1.00 0.00 C ATOM 599 C PHE A 39 30.915 -1.232 -0.759 1.00 0.00 C ATOM 600 O PHE A 39 31.508 -0.288 -0.227 1.00 0.00 O ATOM 601 CB PHE A 39 28.823 -0.423 -1.886 1.00 0.00 C ATOM 602 CG PHE A 39 29.262 1.016 -1.819 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.630 1.910 -0.971 1.00 0.00 C ATOM 604 CD2 PHE A 39 30.305 1.474 -2.609 1.00 0.00 C ATOM 605 CE1 PHE A 39 29.032 3.229 -0.909 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.710 2.793 -2.551 1.00 0.00 C ATOM 607 CZ PHE A 39 30.071 3.671 -1.700 1.00 0.00 C ATOM 0 H PHE A 39 28.805 0.089 0.668 1.00 0.00 H new ATOM 0 HA PHE A 39 29.111 -2.340 -0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 39 29.119 -0.837 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.735 -0.462 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.813 1.571 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.807 0.791 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.533 3.915 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.525 3.136 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.384 4.703 -1.654 1.00 0.00 H new ATOM 617 N ILE A 40 31.531 -2.256 -1.306 1.00 0.00 N ATOM 618 CA ILE A 40 32.961 -2.255 -1.540 1.00 0.00 C ATOM 619 C ILE A 40 33.233 -2.430 -3.032 1.00 0.00 C ATOM 620 O ILE A 40 32.550 -3.205 -3.714 1.00 0.00 O ATOM 621 CB ILE A 40 33.677 -3.349 -0.703 1.00 0.00 C ATOM 622 CG1 ILE A 40 35.092 -2.901 -0.350 1.00 0.00 C ATOM 623 CG2 ILE A 40 33.705 -4.689 -1.425 1.00 0.00 C ATOM 624 CD1 ILE A 40 35.152 -2.028 0.882 1.00 0.00 C ATOM 0 H ILE A 40 31.059 -3.111 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 40 33.367 -1.297 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 40 33.107 -3.488 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 40 35.716 -3.781 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 40 35.514 -2.356 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 40 34.215 -5.426 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.684 -5.020 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 40 34.236 -4.582 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 40 36.186 -1.745 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 40 34.554 -1.131 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 34.759 -2.578 1.737 1.00 0.00 H new ATOM 636 N VAL A 41 34.180 -1.665 -3.553 1.00 0.00 N ATOM 637 CA VAL A 41 34.512 -1.717 -4.969 1.00 0.00 C ATOM 638 C VAL A 41 36.007 -1.953 -5.175 1.00 0.00 C ATOM 639 O VAL A 41 36.827 -1.591 -4.329 1.00 0.00 O ATOM 640 CB VAL A 41 34.093 -0.421 -5.702 1.00 0.00 C ATOM 641 CG1 VAL A 41 32.644 -0.075 -5.413 1.00 0.00 C ATOM 642 CG2 VAL A 41 35.006 0.739 -5.331 1.00 0.00 C ATOM 0 H VAL A 41 34.734 -0.999 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 41 33.955 -2.553 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 41 34.192 -0.600 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 41 32.376 0.840 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 41 32.002 -0.889 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 41 32.512 0.072 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.688 1.637 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.953 0.914 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 41 36.032 0.498 -5.609 1.00 0.00 H new ATOM 652 N HIS A 42 36.352 -2.580 -6.287 1.00 0.00 N ATOM 653 CA HIS A 42 37.748 -2.775 -6.654 1.00 0.00 C ATOM 654 C HIS A 42 38.125 -1.811 -7.768 1.00 0.00 C ATOM 655 O HIS A 42 39.022 -0.980 -7.616 1.00 0.00 O ATOM 656 CB HIS A 42 37.998 -4.210 -7.131 1.00 0.00 C ATOM 657 CG HIS A 42 37.601 -5.272 -6.150 1.00 0.00 C ATOM 658 ND1 HIS A 42 36.304 -5.707 -5.999 1.00 0.00 N ATOM 659 CD2 HIS A 42 38.341 -6.001 -5.282 1.00 0.00 C ATOM 660 CE1 HIS A 42 36.264 -6.657 -5.084 1.00 0.00 C ATOM 661 NE2 HIS A 42 37.487 -6.858 -4.633 1.00 0.00 N ATOM 0 H HIS A 42 35.683 -2.965 -6.955 1.00 0.00 H new ATOM 0 HA HIS A 42 38.359 -2.587 -5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 42 37.452 -4.370 -8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 42 39.058 -4.323 -7.360 1.00 0.00 H new ATOM 0 HD1 HIS A 42 35.499 -5.351 -6.514 1.00 0.00 H new ATOM 0 HD2 HIS A 42 39.407 -5.923 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.378 -7.182 -4.759 1.00 0.00 H new ATOM 670 N THR A 43 37.423 -1.934 -8.883 1.00 0.00 N ATOM 671 CA THR A 43 37.696 -1.136 -10.059 1.00 0.00 C ATOM 672 C THR A 43 36.638 -0.048 -10.244 1.00 0.00 C ATOM 673 O THR A 43 35.621 -0.030 -9.543 1.00 0.00 O ATOM 674 CB THR A 43 37.745 -2.040 -11.302 1.00 0.00 C ATOM 675 OG1 THR A 43 37.126 -3.300 -10.999 1.00 0.00 O ATOM 676 CG2 THR A 43 39.181 -2.271 -11.744 1.00 0.00 C ATOM 0 H THR A 43 36.650 -2.590 -8.994 1.00 0.00 H new ATOM 0 HA THR A 43 38.662 -0.649 -9.926 1.00 0.00 H new ATOM 0 HB THR A 43 37.208 -1.548 -12.113 1.00 0.00 H new ATOM 0 HG1 THR A 43 37.155 -3.877 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.192 -2.913 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.645 -1.315 -11.986 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.737 -2.751 -10.938 1.00 0.00 H new ATOM 684 N ILE A 44 36.867 0.845 -11.203 1.00 0.00 N ATOM 685 CA ILE A 44 35.989 1.985 -11.413 1.00 0.00 C ATOM 686 C ILE A 44 34.638 1.536 -11.968 1.00 0.00 C ATOM 687 O ILE A 44 33.607 2.144 -11.686 1.00 0.00 O ATOM 688 CB ILE A 44 36.640 3.049 -12.342 1.00 0.00 C ATOM 689 CG1 ILE A 44 36.035 3.031 -13.747 1.00 0.00 C ATOM 690 CG2 ILE A 44 38.144 2.839 -12.426 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.341 4.319 -14.109 1.00 0.00 C ATOM 0 H ILE A 44 37.656 0.798 -11.847 1.00 0.00 H new ATOM 0 HA ILE A 44 35.825 2.453 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 44 36.435 4.025 -11.902 1.00 0.00 H new ATOM 0 HG12 ILE A 44 36.824 2.834 -14.473 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.323 2.209 -13.819 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.581 3.593 -13.081 1.00 0.00 H new ATOM 0 HG22 ILE A 44 38.580 2.926 -11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 38.351 1.847 -12.827 1.00 0.00 H new ATOM 0 HD11 ILE A 44 34.934 4.242 -15.117 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.531 4.507 -13.404 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.055 5.141 -14.068 1.00 0.00 H new ATOM 703 N GLU A 45 34.653 0.453 -12.739 1.00 0.00 N ATOM 704 CA GLU A 45 33.445 -0.118 -13.295 1.00 0.00 C ATOM 705 C GLU A 45 32.508 -0.582 -12.188 1.00 0.00 C ATOM 706 O GLU A 45 31.287 -0.494 -12.312 1.00 0.00 O ATOM 707 CB GLU A 45 33.801 -1.290 -14.208 1.00 0.00 C ATOM 708 CG GLU A 45 35.001 -1.031 -15.111 1.00 0.00 C ATOM 709 CD GLU A 45 36.308 -1.448 -14.473 1.00 0.00 C ATOM 710 OE1 GLU A 45 36.698 -2.624 -14.616 1.00 0.00 O ATOM 711 OE2 GLU A 45 36.948 -0.598 -13.819 1.00 0.00 O ATOM 0 H GLU A 45 35.505 -0.048 -12.992 1.00 0.00 H new ATOM 0 HA GLU A 45 32.933 0.649 -13.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.004 -2.167 -13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.937 -1.529 -14.829 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.869 -1.572 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.043 0.030 -15.358 1.00 0.00 H new ATOM 718 N GLU A 46 33.085 -1.069 -11.097 1.00 0.00 N ATOM 719 CA GLU A 46 32.299 -1.520 -9.959 1.00 0.00 C ATOM 720 C GLU A 46 31.725 -0.332 -9.213 1.00 0.00 C ATOM 721 O GLU A 46 30.598 -0.383 -8.724 1.00 0.00 O ATOM 722 CB GLU A 46 33.146 -2.372 -9.013 1.00 0.00 C ATOM 723 CG GLU A 46 33.630 -3.676 -9.628 1.00 0.00 C ATOM 724 CD GLU A 46 34.353 -4.554 -8.627 1.00 0.00 C ATOM 725 OE1 GLU A 46 34.555 -4.110 -7.478 1.00 0.00 O ATOM 726 OE2 GLU A 46 34.730 -5.684 -8.985 1.00 0.00 O ATOM 0 H GLU A 46 34.094 -1.161 -10.977 1.00 0.00 H new ATOM 0 HA GLU A 46 31.480 -2.134 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 34.010 -1.791 -8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.562 -2.597 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.778 -4.220 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 46 34.296 -3.456 -10.462 1.00 0.00 H new ATOM 733 N ILE A 47 32.494 0.743 -9.146 1.00 0.00 N ATOM 734 CA ILE A 47 32.029 1.960 -8.512 1.00 0.00 C ATOM 735 C ILE A 47 30.862 2.529 -9.314 1.00 0.00 C ATOM 736 O ILE A 47 29.866 2.962 -8.746 1.00 0.00 O ATOM 737 CB ILE A 47 33.179 3.003 -8.345 1.00 0.00 C ATOM 738 CG1 ILE A 47 33.297 3.426 -6.878 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.989 4.232 -9.232 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.973 3.776 -6.235 1.00 0.00 C ATOM 0 H ILE A 47 33.440 0.795 -9.523 1.00 0.00 H new ATOM 0 HA ILE A 47 31.685 1.724 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 47 34.101 2.517 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.762 2.618 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.962 4.287 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.816 4.924 -9.076 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.964 3.926 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 47 32.051 4.724 -8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 47 32.138 4.065 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.514 4.605 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 47 31.312 2.910 -6.270 1.00 0.00 H new ATOM 752 N GLU A 48 30.967 2.454 -10.637 1.00 0.00 N ATOM 753 CA GLU A 48 29.933 2.978 -11.521 1.00 0.00 C ATOM 754 C GLU A 48 28.720 2.064 -11.516 1.00 0.00 C ATOM 755 O GLU A 48 27.584 2.517 -11.664 1.00 0.00 O ATOM 756 CB GLU A 48 30.475 3.134 -12.940 1.00 0.00 C ATOM 757 CG GLU A 48 31.193 4.453 -13.163 1.00 0.00 C ATOM 758 CD GLU A 48 30.234 5.615 -13.313 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.357 5.554 -14.194 1.00 0.00 O ATOM 760 OE2 GLU A 48 30.357 6.596 -12.548 1.00 0.00 O ATOM 0 H GLU A 48 31.760 2.034 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 48 29.630 3.959 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.161 2.314 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.651 3.052 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.863 4.645 -12.325 1.00 0.00 H new ATOM 0 HG3 GLU A 48 31.813 4.379 -14.057 1.00 0.00 H new ATOM 767 N GLY A 49 28.965 0.778 -11.319 1.00 0.00 N ATOM 768 CA GLY A 49 27.878 -0.174 -11.218 1.00 0.00 C ATOM 769 C GLY A 49 27.091 0.062 -9.957 1.00 0.00 C ATOM 770 O GLY A 49 25.863 -0.058 -9.931 1.00 0.00 O ATOM 0 H GLY A 49 29.898 0.376 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 49 27.224 -0.083 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 49 28.274 -1.190 -11.223 1.00 0.00 H new ATOM 774 N LEU A 50 27.819 0.404 -8.906 1.00 0.00 N ATOM 775 CA LEU A 50 27.224 0.829 -7.655 1.00 0.00 C ATOM 776 C LEU A 50 26.409 2.102 -7.854 1.00 0.00 C ATOM 777 O LEU A 50 25.256 2.184 -7.423 1.00 0.00 O ATOM 778 CB LEU A 50 28.320 1.080 -6.623 1.00 0.00 C ATOM 779 CG LEU A 50 28.337 0.125 -5.435 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.922 -0.268 -5.031 1.00 0.00 C ATOM 781 CD2 LEU A 50 29.170 -1.107 -5.753 1.00 0.00 C ATOM 0 H LEU A 50 28.839 0.394 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 50 26.560 0.040 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.286 1.025 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.214 2.098 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 50 28.795 0.640 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.962 -0.950 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.362 0.625 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.428 -0.761 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.171 -1.777 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.744 -1.622 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.193 -0.806 -5.979 1.00 0.00 H new ATOM 793 N ILE A 51 27.010 3.093 -8.515 1.00 0.00 N ATOM 794 CA ILE A 51 26.316 4.355 -8.782 1.00 0.00 C ATOM 795 C ILE A 51 25.017 4.105 -9.531 1.00 0.00 C ATOM 796 O ILE A 51 23.963 4.567 -9.115 1.00 0.00 O ATOM 797 CB ILE A 51 27.149 5.369 -9.605 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.585 5.483 -9.095 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.474 6.735 -9.574 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.698 5.957 -7.662 1.00 0.00 C ATOM 0 H ILE A 51 27.965 3.048 -8.872 1.00 0.00 H new ATOM 0 HA ILE A 51 26.133 4.789 -7.799 1.00 0.00 H new ATOM 0 HB ILE A 51 27.196 5.003 -10.630 1.00 0.00 H new ATOM 0 HG12 ILE A 51 29.069 4.510 -9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 51 29.134 6.171 -9.738 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.063 7.445 -10.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.475 6.657 -10.003 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.400 7.081 -8.543 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.749 6.011 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.246 6.945 -7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.180 5.258 -7.006 1.00 0.00 H new ATOM 812 N SER A 52 25.104 3.352 -10.622 1.00 0.00 N ATOM 813 CA SER A 52 23.952 3.080 -11.477 1.00 0.00 C ATOM 814 C SER A 52 22.779 2.484 -10.695 1.00 0.00 C ATOM 815 O SER A 52 21.620 2.817 -10.950 1.00 0.00 O ATOM 816 CB SER A 52 24.357 2.138 -12.610 1.00 0.00 C ATOM 817 OG SER A 52 25.464 2.657 -13.331 1.00 0.00 O ATOM 0 H SER A 52 25.969 2.915 -10.938 1.00 0.00 H new ATOM 0 HA SER A 52 23.618 4.032 -11.889 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.611 1.160 -12.201 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.514 1.992 -13.286 1.00 0.00 H new ATOM 0 HG SER A 52 26.281 2.542 -12.803 1.00 0.00 H new ATOM 823 N ALA A 53 23.085 1.629 -9.727 1.00 0.00 N ATOM 824 CA ALA A 53 22.057 0.980 -8.920 1.00 0.00 C ATOM 825 C ALA A 53 21.330 1.991 -8.033 1.00 0.00 C ATOM 826 O ALA A 53 20.169 1.803 -7.670 1.00 0.00 O ATOM 827 CB ALA A 53 22.675 -0.126 -8.078 1.00 0.00 C ATOM 0 H ALA A 53 24.040 1.368 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 53 21.321 0.541 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.900 -0.604 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 53 23.137 -0.866 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.432 0.299 -7.419 1.00 0.00 H new ATOM 833 N HIS A 54 22.018 3.064 -7.686 1.00 0.00 N ATOM 834 CA HIS A 54 21.415 4.141 -6.919 1.00 0.00 C ATOM 835 C HIS A 54 20.839 5.185 -7.862 1.00 0.00 C ATOM 836 O HIS A 54 19.867 5.856 -7.540 1.00 0.00 O ATOM 837 CB HIS A 54 22.442 4.784 -5.990 1.00 0.00 C ATOM 838 CG HIS A 54 21.856 5.318 -4.723 1.00 0.00 C ATOM 839 ND1 HIS A 54 21.030 4.579 -3.900 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.997 6.523 -4.125 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.695 5.308 -2.852 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.268 6.490 -2.966 1.00 0.00 N ATOM 0 H HIS A 54 22.999 3.214 -7.924 1.00 0.00 H new ATOM 0 HA HIS A 54 20.613 3.726 -6.308 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.207 4.048 -5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.940 5.596 -6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.577 7.356 -4.493 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.059 4.990 -2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.182 7.256 -2.298 1.00 0.00 H new ATOM 851 N ASP A 55 21.454 5.303 -9.029 1.00 0.00 N ATOM 852 CA ASP A 55 21.031 6.252 -10.051 1.00 0.00 C ATOM 853 C ASP A 55 19.621 5.935 -10.526 1.00 0.00 C ATOM 854 O ASP A 55 18.759 6.813 -10.573 1.00 0.00 O ATOM 855 CB ASP A 55 22.010 6.213 -11.230 1.00 0.00 C ATOM 856 CG ASP A 55 21.637 7.165 -12.347 1.00 0.00 C ATOM 857 OD1 ASP A 55 21.150 8.278 -12.056 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.842 6.804 -13.528 1.00 0.00 O ATOM 0 H ASP A 55 22.263 4.742 -9.296 1.00 0.00 H new ATOM 0 HA ASP A 55 21.029 7.254 -9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 23.010 6.458 -10.872 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.052 5.198 -11.625 1.00 0.00 H new ATOM 863 N GLN A 56 19.383 4.670 -10.856 1.00 0.00 N ATOM 864 CA GLN A 56 18.057 4.229 -11.273 1.00 0.00 C ATOM 865 C GLN A 56 17.112 4.203 -10.082 1.00 0.00 C ATOM 866 O GLN A 56 15.898 4.272 -10.242 1.00 0.00 O ATOM 867 CB GLN A 56 18.132 2.845 -11.915 1.00 0.00 C ATOM 868 CG GLN A 56 18.581 2.876 -13.365 1.00 0.00 C ATOM 869 CD GLN A 56 17.415 2.915 -14.331 1.00 0.00 C ATOM 870 OE1 GLN A 56 16.839 3.971 -14.588 1.00 0.00 O ATOM 871 NE2 GLN A 56 17.060 1.766 -14.878 1.00 0.00 N ATOM 0 H GLN A 56 20.089 3.934 -10.843 1.00 0.00 H new ATOM 0 HA GLN A 56 17.674 4.934 -12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.821 2.224 -11.342 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.152 2.372 -11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.213 3.749 -13.528 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.191 1.997 -13.572 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.562 0.911 -14.640 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.284 1.734 -15.539 1.00 0.00 H new ATOM 880 N PHE A 57 17.684 4.128 -8.890 1.00 0.00 N ATOM 881 CA PHE A 57 16.903 4.101 -7.666 1.00 0.00 C ATOM 882 C PHE A 57 16.165 5.419 -7.468 1.00 0.00 C ATOM 883 O PHE A 57 15.038 5.447 -6.976 1.00 0.00 O ATOM 884 CB PHE A 57 17.814 3.822 -6.470 1.00 0.00 C ATOM 885 CG PHE A 57 17.066 3.528 -5.204 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.318 2.370 -5.079 1.00 0.00 C ATOM 887 CD2 PHE A 57 17.108 4.412 -4.138 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.628 2.099 -3.915 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.418 4.146 -2.972 1.00 0.00 C ATOM 890 CZ PHE A 57 15.677 2.987 -2.861 1.00 0.00 C ATOM 0 H PHE A 57 18.693 4.085 -8.746 1.00 0.00 H new ATOM 0 HA PHE A 57 16.164 3.303 -7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.461 2.977 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.462 4.683 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.274 1.671 -5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.687 5.320 -4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.049 1.191 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.458 4.844 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.136 2.776 -1.950 1.00 0.00 H new ATOM 900 N LYS A 58 16.801 6.510 -7.871 1.00 0.00 N ATOM 901 CA LYS A 58 16.193 7.832 -7.768 1.00 0.00 C ATOM 902 C LYS A 58 15.067 7.960 -8.775 1.00 0.00 C ATOM 903 O LYS A 58 14.186 8.808 -8.649 1.00 0.00 O ATOM 904 CB LYS A 58 17.228 8.939 -8.013 1.00 0.00 C ATOM 905 CG LYS A 58 18.635 8.628 -7.512 1.00 0.00 C ATOM 906 CD LYS A 58 18.653 8.324 -6.021 1.00 0.00 C ATOM 907 CE LYS A 58 17.884 9.363 -5.237 1.00 0.00 C ATOM 908 NZ LYS A 58 18.777 10.445 -4.734 1.00 0.00 N ATOM 0 H LYS A 58 17.739 6.507 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 58 15.800 7.946 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.276 9.141 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.881 9.853 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.036 7.776 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.289 9.475 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.221 7.339 -5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 58 19.684 8.289 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.108 9.795 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.381 8.886 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.269 11.013 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.622 10.023 -4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.064 11.054 -5.526 1.00 0.00 H new ATOM 922 N SER A 59 15.101 7.091 -9.762 1.00 0.00 N ATOM 923 CA SER A 59 14.122 7.098 -10.835 1.00 0.00 C ATOM 924 C SER A 59 12.906 6.257 -10.456 1.00 0.00 C ATOM 925 O SER A 59 11.777 6.572 -10.840 1.00 0.00 O ATOM 926 CB SER A 59 14.762 6.582 -12.123 1.00 0.00 C ATOM 927 OG SER A 59 16.062 7.129 -12.297 1.00 0.00 O ATOM 0 H SER A 59 15.806 6.359 -9.846 1.00 0.00 H new ATOM 0 HA SER A 59 13.783 8.121 -11.000 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.822 5.494 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.136 6.844 -12.976 1.00 0.00 H new ATOM 0 HG SER A 59 16.454 6.784 -13.126 1.00 0.00 H new ATOM 933 N THR A 60 13.132 5.191 -9.692 1.00 0.00 N ATOM 934 CA THR A 60 12.032 4.354 -9.218 1.00 0.00 C ATOM 935 C THR A 60 11.293 5.011 -8.056 1.00 0.00 C ATOM 936 O THR A 60 10.137 4.681 -7.779 1.00 0.00 O ATOM 937 CB THR A 60 12.519 2.964 -8.770 1.00 0.00 C ATOM 938 OG1 THR A 60 13.937 2.859 -8.936 1.00 0.00 O ATOM 939 CG2 THR A 60 11.826 1.868 -9.564 1.00 0.00 C ATOM 0 H THR A 60 14.058 4.888 -9.390 1.00 0.00 H new ATOM 0 HA THR A 60 11.353 4.237 -10.063 1.00 0.00 H new ATOM 0 HB THR A 60 12.271 2.841 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.235 1.972 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.185 0.894 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.749 1.930 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.046 1.992 -10.624 1.00 0.00 H new ATOM 947 N LEU A 61 11.964 5.945 -7.384 1.00 0.00 N ATOM 948 CA LEU A 61 11.395 6.615 -6.216 1.00 0.00 C ATOM 949 C LEU A 61 10.031 7.249 -6.522 1.00 0.00 C ATOM 950 O LEU A 61 9.051 6.899 -5.877 1.00 0.00 O ATOM 951 CB LEU A 61 12.362 7.673 -5.660 1.00 0.00 C ATOM 952 CG LEU A 61 13.527 7.147 -4.810 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.940 8.181 -3.775 1.00 0.00 C ATOM 954 CD2 LEU A 61 13.166 5.842 -4.122 1.00 0.00 C ATOM 0 H LEU A 61 12.904 6.255 -7.629 1.00 0.00 H new ATOM 0 HA LEU A 61 11.240 5.848 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.776 8.233 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.789 8.378 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 61 14.365 6.958 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.767 7.791 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.254 9.095 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.095 8.399 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.013 5.497 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.307 6.000 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.919 5.091 -4.873 1.00 0.00 H new ATOM 966 N PRO A 62 9.926 8.169 -7.512 1.00 0.00 N ATOM 967 CA PRO A 62 8.656 8.854 -7.817 1.00 0.00 C ATOM 968 C PRO A 62 7.516 7.883 -8.126 1.00 0.00 C ATOM 969 O PRO A 62 6.361 8.125 -7.764 1.00 0.00 O ATOM 970 CB PRO A 62 8.986 9.695 -9.053 1.00 0.00 C ATOM 971 CG PRO A 62 10.460 9.878 -9.010 1.00 0.00 C ATOM 972 CD PRO A 62 11.010 8.620 -8.408 1.00 0.00 C ATOM 0 HA PRO A 62 8.305 9.437 -6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.677 9.190 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.468 10.654 -9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.863 10.042 -10.009 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.729 10.748 -8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.237 7.875 -9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.933 8.807 -7.860 1.00 0.00 H new ATOM 980 N ASP A 63 7.854 6.777 -8.778 1.00 0.00 N ATOM 981 CA ASP A 63 6.864 5.773 -9.163 1.00 0.00 C ATOM 982 C ASP A 63 6.337 5.058 -7.929 1.00 0.00 C ATOM 983 O ASP A 63 5.130 5.031 -7.672 1.00 0.00 O ATOM 984 CB ASP A 63 7.482 4.757 -10.129 1.00 0.00 C ATOM 985 CG ASP A 63 6.449 3.958 -10.912 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.241 4.056 -10.610 1.00 0.00 O ATOM 987 OD2 ASP A 63 6.846 3.226 -11.842 1.00 0.00 O ATOM 0 H ASP A 63 8.810 6.550 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 63 6.037 6.276 -9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.131 5.282 -10.830 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.112 4.068 -9.566 1.00 0.00 H new ATOM 992 N ALA A 64 7.261 4.514 -7.146 1.00 0.00 N ATOM 993 CA ALA A 64 6.914 3.778 -5.941 1.00 0.00 C ATOM 994 C ALA A 64 6.311 4.706 -4.885 1.00 0.00 C ATOM 995 O ALA A 64 5.430 4.305 -4.125 1.00 0.00 O ATOM 996 CB ALA A 64 8.144 3.063 -5.399 1.00 0.00 C ATOM 0 H ALA A 64 8.263 4.571 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 64 6.159 3.033 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.877 2.514 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.521 2.368 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.916 3.795 -5.163 1.00 0.00 H new ATOM 1002 N ASP A 65 6.784 5.949 -4.855 1.00 0.00 N ATOM 1003 CA ASP A 65 6.260 6.949 -3.928 1.00 0.00 C ATOM 1004 C ASP A 65 4.784 7.195 -4.192 1.00 0.00 C ATOM 1005 O ASP A 65 3.970 7.198 -3.270 1.00 0.00 O ATOM 1006 CB ASP A 65 7.030 8.269 -4.059 1.00 0.00 C ATOM 1007 CG ASP A 65 6.421 9.382 -3.231 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.613 9.390 -1.999 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.753 10.262 -3.809 1.00 0.00 O ATOM 0 H ASP A 65 7.530 6.288 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 65 6.385 6.566 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.064 8.115 -3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.052 8.570 -5.106 1.00 0.00 H new ATOM 1014 N ARG A 66 4.444 7.379 -5.465 1.00 0.00 N ATOM 1015 CA ARG A 66 3.068 7.614 -5.862 1.00 0.00 C ATOM 1016 C ARG A 66 2.212 6.384 -5.572 1.00 0.00 C ATOM 1017 O ARG A 66 1.033 6.503 -5.238 1.00 0.00 O ATOM 1018 CB ARG A 66 3.007 7.966 -7.348 1.00 0.00 C ATOM 1019 CG ARG A 66 2.824 9.451 -7.625 1.00 0.00 C ATOM 1020 CD ARG A 66 1.657 10.033 -6.842 1.00 0.00 C ATOM 1021 NE ARG A 66 0.377 9.503 -7.307 1.00 0.00 N ATOM 1022 CZ ARG A 66 -0.758 9.581 -6.615 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -0.798 10.203 -5.444 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -1.865 9.046 -7.115 1.00 0.00 N ATOM 0 H ARG A 66 5.109 7.369 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 66 2.674 8.451 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.925 7.627 -7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.185 7.417 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.738 9.984 -7.365 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.658 9.604 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.781 9.808 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.659 11.119 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 66 0.351 9.045 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.047 10.629 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.674 10.256 -4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.842 8.580 -8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.739 9.101 -6.592 1.00 0.00 H new ATOM 1038 N GLU A 67 2.819 5.208 -5.693 1.00 0.00 N ATOM 1039 CA GLU A 67 2.146 3.958 -5.372 1.00 0.00 C ATOM 1040 C GLU A 67 1.726 3.938 -3.907 1.00 0.00 C ATOM 1041 O GLU A 67 0.606 3.558 -3.585 1.00 0.00 O ATOM 1042 CB GLU A 67 3.058 2.765 -5.669 1.00 0.00 C ATOM 1043 CG GLU A 67 3.041 2.331 -7.126 1.00 0.00 C ATOM 1044 CD GLU A 67 1.641 2.083 -7.647 1.00 0.00 C ATOM 1045 OE1 GLU A 67 0.993 1.120 -7.193 1.00 0.00 O ATOM 1046 OE2 GLU A 67 1.185 2.847 -8.522 1.00 0.00 O ATOM 0 H GLU A 67 3.781 5.096 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 67 1.255 3.882 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.079 3.021 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.756 1.924 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.520 3.098 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.632 1.422 -7.237 1.00 0.00 H new ATOM 1053 N ARG A 68 2.622 4.375 -3.023 1.00 0.00 N ATOM 1054 CA ARG A 68 2.336 4.415 -1.593 1.00 0.00 C ATOM 1055 C ARG A 68 1.125 5.305 -1.313 1.00 0.00 C ATOM 1056 O ARG A 68 0.300 5.000 -0.450 1.00 0.00 O ATOM 1057 CB ARG A 68 3.577 4.897 -0.829 1.00 0.00 C ATOM 1058 CG ARG A 68 3.362 6.126 0.039 1.00 0.00 C ATOM 1059 CD ARG A 68 4.679 6.643 0.586 1.00 0.00 C ATOM 1060 NE ARG A 68 5.032 7.953 0.035 1.00 0.00 N ATOM 1061 CZ ARG A 68 4.607 9.114 0.528 1.00 0.00 C ATOM 1062 NH1 ARG A 68 3.810 9.150 1.591 1.00 0.00 N ATOM 1063 NH2 ARG A 68 4.996 10.242 -0.048 1.00 0.00 N ATOM 0 H ARG A 68 3.553 4.707 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 68 2.091 3.411 -1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.935 4.084 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.367 5.113 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.875 6.907 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.693 5.880 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.617 6.713 1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.470 5.929 0.357 1.00 0.00 H new ATOM 0 HE ARG A 68 5.644 7.977 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.517 8.281 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.491 10.046 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.614 10.214 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.678 11.139 0.320 1.00 0.00 H new ATOM 1077 N GLU A 69 1.018 6.391 -2.061 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.111 7.299 -1.932 1.00 0.00 C ATOM 1079 C GLU A 69 -1.373 6.659 -2.496 1.00 0.00 C ATOM 1080 O GLU A 69 -2.438 6.720 -1.890 1.00 0.00 O ATOM 1081 CB GLU A 69 0.182 8.613 -2.653 1.00 0.00 C ATOM 1082 CG GLU A 69 1.549 9.193 -2.327 1.00 0.00 C ATOM 1083 CD GLU A 69 1.481 10.287 -1.286 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.064 10.006 -0.146 1.00 0.00 O ATOM 1085 OE2 GLU A 69 1.840 11.439 -1.609 1.00 0.00 O ATOM 0 H GLU A 69 1.702 6.666 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.270 7.508 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.112 8.451 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.585 9.341 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.202 8.397 -1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.998 9.590 -3.237 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.230 6.014 -3.647 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.344 5.332 -4.301 1.00 0.00 C ATOM 1094 C ALA A 70 -2.812 4.131 -3.482 1.00 0.00 C ATOM 1095 O ALA A 70 -3.934 3.652 -3.634 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.936 4.897 -5.703 1.00 0.00 C ATOM 0 H ALA A 70 -0.346 5.948 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.178 6.029 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.772 4.389 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.658 5.773 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.086 4.217 -5.640 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.948 3.673 -2.593 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.236 2.532 -1.751 1.00 0.00 C ATOM 1104 C ILE A 71 -3.019 3.003 -0.540 1.00 0.00 C ATOM 1105 O ILE A 71 -3.988 2.370 -0.114 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.928 1.808 -1.327 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.707 0.574 -2.200 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.941 1.411 0.143 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.676 0.505 -2.803 1.00 0.00 C ATOM 0 H ILE A 71 -1.028 4.084 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.834 1.811 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.106 2.510 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.879 -0.321 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.445 0.568 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.007 0.908 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.049 2.303 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.777 0.737 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.764 -0.396 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.845 1.382 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.419 0.479 -2.006 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.618 4.156 -0.022 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.325 4.778 1.080 1.00 0.00 C ATOM 1123 C LEU A 72 -4.654 5.318 0.586 1.00 0.00 C ATOM 1124 O LEU A 72 -5.594 5.489 1.358 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.484 5.901 1.694 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.398 5.446 2.678 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -1.238 6.460 3.796 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.721 4.073 3.250 1.00 0.00 C ATOM 0 H LEU A 72 -1.805 4.677 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.507 4.032 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.009 6.459 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.151 6.592 2.209 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.457 5.374 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.464 6.122 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.953 7.424 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.182 6.563 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.936 3.774 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.675 4.113 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.784 3.347 2.440 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.723 5.557 -0.718 1.00 0.00 N ATOM 1141 CA ALA A 73 -5.956 6.021 -1.350 1.00 0.00 C ATOM 1142 C ALA A 73 -7.026 4.932 -1.294 1.00 0.00 C ATOM 1143 O ALA A 73 -8.181 5.196 -0.968 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.701 6.440 -2.789 1.00 0.00 C ATOM 0 H ALA A 73 -3.940 5.438 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.315 6.891 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.633 6.782 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.971 7.249 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.316 5.590 -3.353 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.627 3.702 -1.603 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.520 2.556 -1.489 1.00 0.00 C ATOM 1152 C ILE A 74 -7.946 2.373 -0.036 1.00 0.00 C ATOM 1153 O ILE A 74 -9.115 2.125 0.267 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.842 1.259 -1.982 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.442 1.389 -3.451 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.761 0.061 -1.784 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.180 0.633 -3.800 1.00 0.00 C ATOM 0 H ILE A 74 -5.690 3.474 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.391 2.752 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.940 1.099 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.258 1.026 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.303 2.443 -3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.263 -0.842 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.996 -0.046 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.682 0.212 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.955 0.769 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.352 1.012 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.322 -0.428 -3.593 1.00 0.00 H new ATOM 1169 N HIS A 75 -6.980 2.524 0.860 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.214 2.390 2.291 1.00 0.00 C ATOM 1171 C HIS A 75 -8.121 3.497 2.796 1.00 0.00 C ATOM 1172 O HIS A 75 -8.803 3.332 3.790 1.00 0.00 O ATOM 1173 CB HIS A 75 -5.859 2.359 3.024 1.00 0.00 C ATOM 1174 CG HIS A 75 -5.765 3.129 4.316 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.688 2.524 5.550 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.685 4.460 4.548 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.561 3.452 6.484 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.555 4.631 5.902 1.00 0.00 N ATOM 0 H HIS A 75 -6.014 2.742 0.616 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.732 1.453 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.609 1.318 3.230 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.097 2.742 2.345 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -5.723 1.519 5.718 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.718 5.242 3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.476 3.272 7.545 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.142 4.612 2.102 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.005 5.714 2.485 1.00 0.00 C ATOM 1189 C LYS A 76 -10.465 5.287 2.428 1.00 0.00 C ATOM 1190 O LYS A 76 -11.227 5.542 3.353 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.771 6.928 1.586 1.00 0.00 C ATOM 1192 CG LYS A 76 -8.062 8.073 2.288 1.00 0.00 C ATOM 1193 CD LYS A 76 -8.695 8.381 3.635 1.00 0.00 C ATOM 1194 CE LYS A 76 -7.660 8.845 4.648 1.00 0.00 C ATOM 1195 NZ LYS A 76 -8.266 9.693 5.707 1.00 0.00 N ATOM 0 H LYS A 76 -7.575 4.783 1.272 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.762 5.997 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.182 6.622 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.731 7.282 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.011 7.820 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.094 8.962 1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.456 9.152 3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.200 7.492 4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.184 7.977 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.877 9.406 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.529 9.990 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.698 10.534 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.996 9.150 6.211 1.00 0.00 H new ATOM 1209 N GLU A 77 -10.837 4.592 1.365 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.223 4.179 1.179 1.00 0.00 C ATOM 1211 C GLU A 77 -12.515 2.896 1.950 1.00 0.00 C ATOM 1212 O GLU A 77 -13.663 2.613 2.295 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.524 3.977 -0.310 1.00 0.00 C ATOM 1214 CG GLU A 77 -12.682 5.281 -1.081 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.024 5.951 -0.850 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -14.621 5.755 0.231 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -14.487 6.687 -1.747 1.00 0.00 O ATOM 0 H GLU A 77 -10.204 4.302 0.620 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.867 4.969 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.720 3.394 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.438 3.391 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.886 5.966 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.560 5.083 -2.146 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.469 2.130 2.224 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.613 0.841 2.884 1.00 0.00 C ATOM 1226 C ALA A 78 -11.227 0.900 4.362 1.00 0.00 C ATOM 1227 O ALA A 78 -11.147 -0.133 5.030 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.778 -0.202 2.159 1.00 0.00 C ATOM 0 H ALA A 78 -10.507 2.381 1.998 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.666 0.563 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.888 -1.166 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.116 -0.285 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.730 0.096 2.174 1.00 0.00 H new ATOM 1234 N GLN A 79 -10.953 2.095 4.866 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.660 2.259 6.287 1.00 0.00 C ATOM 1236 C GLN A 79 -11.581 3.270 6.932 1.00 0.00 C ATOM 1237 O GLN A 79 -12.080 3.047 8.032 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.209 2.678 6.511 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.551 1.967 7.671 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.936 0.651 7.257 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.720 0.519 7.145 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.779 -0.331 7.007 1.00 0.00 N ATOM 0 H GLN A 79 -10.927 2.957 4.322 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.824 1.288 6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.638 2.482 5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.172 3.753 6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.780 2.608 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.289 1.791 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.782 -0.181 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.428 -1.241 6.709 1.00 0.00 H new ATOM 1251 N ARG A 80 -11.820 4.371 6.234 1.00 0.00 N ATOM 1252 CA ARG A 80 -12.629 5.461 6.772 1.00 0.00 C ATOM 1253 C ARG A 80 -14.037 4.988 7.107 1.00 0.00 C ATOM 1254 O ARG A 80 -14.713 5.593 7.928 1.00 0.00 O ATOM 1255 CB ARG A 80 -12.678 6.638 5.792 1.00 0.00 C ATOM 1256 CG ARG A 80 -13.767 6.528 4.740 1.00 0.00 C ATOM 1257 CD ARG A 80 -13.655 7.636 3.709 1.00 0.00 C ATOM 1258 NE ARG A 80 -14.490 7.379 2.537 1.00 0.00 N ATOM 1259 CZ ARG A 80 -15.657 7.972 2.311 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -16.170 8.814 3.201 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -16.325 7.693 1.201 1.00 0.00 N ATOM 0 H ARG A 80 -11.465 4.535 5.292 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.158 5.799 7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.825 7.559 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.713 6.720 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.700 5.560 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.745 6.573 5.220 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.947 8.584 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.615 7.738 3.398 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.156 6.703 1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.667 9.010 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -17.067 9.265 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.942 7.028 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.222 8.143 1.019 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.459 3.890 6.481 1.00 0.00 N ATOM 1276 CA ILE A 81 -15.758 3.291 6.759 1.00 0.00 C ATOM 1277 C ILE A 81 -15.811 2.764 8.194 1.00 0.00 C ATOM 1278 O ILE A 81 -16.848 2.816 8.853 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.064 2.144 5.769 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.925 1.120 5.750 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.285 2.702 4.369 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.218 -0.123 6.558 1.00 0.00 C ATOM 0 H ILE A 81 -13.914 3.397 5.774 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.514 4.066 6.636 1.00 0.00 H new ATOM 0 HB ILE A 81 -16.973 1.642 6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.722 0.833 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.019 1.589 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.500 1.884 3.681 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.126 3.395 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.388 3.226 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.369 -0.804 6.500 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.392 0.152 7.598 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.105 -0.615 6.160 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.676 2.271 8.673 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.565 1.788 10.038 1.00 0.00 C ATOM 1296 C ALA A 82 -14.179 2.931 10.953 1.00 0.00 C ATOM 1297 O ALA A 82 -14.363 2.876 12.166 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.534 0.677 10.124 1.00 0.00 C ATOM 0 H ALA A 82 -13.816 2.196 8.130 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.529 1.388 10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.463 0.326 11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.834 -0.149 9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.564 1.055 9.802 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.639 3.976 10.349 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.279 5.180 11.071 1.00 0.00 C ATOM 1306 C GLU A 83 -14.518 6.040 11.317 1.00 0.00 C ATOM 1307 O GLU A 83 -14.458 7.046 12.021 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.212 5.964 10.296 1.00 0.00 C ATOM 1309 CG GLU A 83 -10.922 5.183 10.074 1.00 0.00 C ATOM 1310 CD GLU A 83 -9.800 6.035 9.510 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.033 7.225 9.204 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -8.671 5.518 9.382 1.00 0.00 O ATOM 0 H GLU A 83 -13.439 4.012 9.349 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.861 4.901 12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.620 6.258 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.983 6.882 10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.600 4.749 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.118 4.355 9.393 1.00 0.00 H new ATOM 1479 N TYR A 95 -6.728 -10.098 3.405 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.632 -10.067 2.448 1.00 0.00 C ATOM 1481 C TYR A 95 -4.667 -8.960 2.827 1.00 0.00 C ATOM 1482 O TYR A 95 -3.449 -9.121 2.757 1.00 0.00 O ATOM 1483 CB TYR A 95 -6.143 -9.848 1.010 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.643 -9.957 0.835 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -8.308 -11.162 1.018 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -8.390 -8.853 0.461 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.676 -11.255 0.844 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.752 -8.936 0.284 1.00 0.00 C ATOM 1489 CZ TYR A 95 -10.395 -10.142 0.476 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.758 -10.235 0.295 1.00 0.00 O ATOM 0 HA TYR A 95 -5.124 -11.031 2.477 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.825 -8.861 0.675 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.663 -10.576 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.747 -12.041 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.893 -7.907 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.179 -12.199 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.316 -8.061 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.206 -9.543 0.825 1.00 0.00 H new ATOM 1500 N THR A 96 -5.229 -7.844 3.254 1.00 0.00 N ATOM 1501 CA THR A 96 -4.454 -6.667 3.588 1.00 0.00 C ATOM 1502 C THR A 96 -3.932 -6.722 5.017 1.00 0.00 C ATOM 1503 O THR A 96 -4.356 -5.944 5.868 1.00 0.00 O ATOM 1504 CB THR A 96 -5.335 -5.423 3.433 1.00 0.00 C ATOM 1505 OG1 THR A 96 -6.694 -5.823 3.191 1.00 0.00 O ATOM 1506 CG2 THR A 96 -4.849 -4.566 2.289 1.00 0.00 C ATOM 0 H THR A 96 -6.235 -7.730 3.378 1.00 0.00 H new ATOM 0 HA THR A 96 -3.600 -6.626 2.912 1.00 0.00 H new ATOM 0 HB THR A 96 -5.281 -4.840 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.257 -5.027 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.488 -3.688 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.824 -4.250 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.884 -5.141 1.363 1.00 0.00 H new ATOM 1514 N THR A 97 -2.983 -7.602 5.278 1.00 0.00 N ATOM 1515 CA THR A 97 -2.361 -7.648 6.587 1.00 0.00 C ATOM 1516 C THR A 97 -1.163 -6.711 6.631 1.00 0.00 C ATOM 1517 O THR A 97 -0.069 -7.059 7.078 1.00 0.00 O ATOM 1518 CB THR A 97 -1.945 -9.065 6.979 1.00 0.00 C ATOM 1519 OG1 THR A 97 -2.750 -10.030 6.279 1.00 0.00 O ATOM 1520 CG2 THR A 97 -2.113 -9.217 8.472 1.00 0.00 C ATOM 0 H THR A 97 -2.630 -8.287 4.610 1.00 0.00 H new ATOM 0 HA THR A 97 -3.104 -7.319 7.314 1.00 0.00 H new ATOM 0 HB THR A 97 -0.903 -9.237 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.474 -10.934 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.820 -10.224 8.770 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.484 -8.489 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.156 -9.048 8.740 1.00 0.00 H new ATOM 1528 N VAL A 98 -1.412 -5.517 6.147 1.00 0.00 N ATOM 1529 CA VAL A 98 -0.406 -4.481 6.014 1.00 0.00 C ATOM 1530 C VAL A 98 -0.978 -3.150 6.496 1.00 0.00 C ATOM 1531 O VAL A 98 -1.896 -2.599 5.885 1.00 0.00 O ATOM 1532 CB VAL A 98 0.099 -4.375 4.548 1.00 0.00 C ATOM 1533 CG1 VAL A 98 -1.008 -4.711 3.558 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.677 -3.000 4.251 1.00 0.00 C ATOM 0 H VAL A 98 -2.337 -5.229 5.827 1.00 0.00 H new ATOM 0 HA VAL A 98 0.453 -4.742 6.633 1.00 0.00 H new ATOM 0 HB VAL A 98 0.898 -5.107 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.624 -4.628 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -1.356 -5.729 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.838 -4.017 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.019 -2.965 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.091 -2.242 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.517 -2.807 4.918 1.00 0.00 H new ATOM 1544 N THR A 99 -0.461 -2.653 7.604 1.00 0.00 N ATOM 1545 CA THR A 99 -0.933 -1.405 8.173 1.00 0.00 C ATOM 1546 C THR A 99 -0.305 -0.211 7.452 1.00 0.00 C ATOM 1547 O THR A 99 0.822 -0.304 6.962 1.00 0.00 O ATOM 1548 CB THR A 99 -0.601 -1.346 9.673 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.191 -2.488 10.035 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.868 -1.326 10.510 1.00 0.00 C ATOM 0 H THR A 99 0.291 -3.098 8.131 1.00 0.00 H new ATOM 0 HA THR A 99 -2.015 -1.358 8.046 1.00 0.00 H new ATOM 0 HB THR A 99 -0.044 -0.429 9.866 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.138 -2.629 11.003 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.605 -1.284 11.567 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.463 -0.451 10.249 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.447 -2.229 10.316 1.00 0.00 H new ATOM 1558 N PRO A 100 -1.029 0.923 7.368 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.546 2.126 6.680 1.00 0.00 C ATOM 1560 C PRO A 100 0.809 2.590 7.208 1.00 0.00 C ATOM 1561 O PRO A 100 1.678 2.997 6.439 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.624 3.182 6.972 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.456 2.612 8.072 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.373 1.121 7.925 1.00 0.00 C ATOM 0 HA PRO A 100 -0.395 1.945 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.174 4.129 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.228 3.381 6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.084 2.929 9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.488 2.954 7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.493 0.613 8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.147 0.736 7.261 1.00 0.00 H new ATOM 1572 N GLN A 101 0.986 2.495 8.519 1.00 0.00 N ATOM 1573 CA GLN A 101 2.229 2.908 9.156 1.00 0.00 C ATOM 1574 C GLN A 101 3.377 2.021 8.700 1.00 0.00 C ATOM 1575 O GLN A 101 4.492 2.490 8.482 1.00 0.00 O ATOM 1576 CB GLN A 101 2.097 2.839 10.679 1.00 0.00 C ATOM 1577 CG GLN A 101 1.012 3.738 11.248 1.00 0.00 C ATOM 1578 CD GLN A 101 1.153 5.183 10.815 1.00 0.00 C ATOM 1579 OE1 GLN A 101 0.186 5.806 10.373 1.00 0.00 O ATOM 1580 NE2 GLN A 101 2.350 5.729 10.944 1.00 0.00 N ATOM 0 H GLN A 101 0.282 2.135 9.163 1.00 0.00 H new ATOM 0 HA GLN A 101 2.438 3.937 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.890 1.809 10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.052 3.111 11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.037 3.364 10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.039 3.686 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.125 5.178 11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.499 6.701 10.673 1.00 0.00 H new ATOM 1589 N ILE A 102 3.077 0.743 8.523 1.00 0.00 N ATOM 1590 CA ILE A 102 4.080 -0.245 8.155 1.00 0.00 C ATOM 1591 C ILE A 102 4.658 0.051 6.773 1.00 0.00 C ATOM 1592 O ILE A 102 5.836 -0.190 6.520 1.00 0.00 O ATOM 1593 CB ILE A 102 3.474 -1.676 8.210 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.940 -2.390 9.479 1.00 0.00 C ATOM 1595 CG2 ILE A 102 3.830 -2.506 6.979 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.305 -1.848 10.740 1.00 0.00 C ATOM 0 H ILE A 102 2.136 0.363 8.630 1.00 0.00 H new ATOM 0 HA ILE A 102 4.897 -0.190 8.874 1.00 0.00 H new ATOM 0 HB ILE A 102 2.389 -1.570 8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.712 -3.452 9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.023 -2.302 9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.383 -3.496 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.448 -2.013 6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.913 -2.602 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.680 -2.400 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.554 -0.792 10.848 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.223 -1.961 10.680 1.00 0.00 H new ATOM 1608 N ILE A 103 3.832 0.598 5.889 1.00 0.00 N ATOM 1609 CA ILE A 103 4.269 0.882 4.535 1.00 0.00 C ATOM 1610 C ILE A 103 4.773 2.323 4.394 1.00 0.00 C ATOM 1611 O ILE A 103 5.727 2.587 3.662 1.00 0.00 O ATOM 1612 CB ILE A 103 3.145 0.589 3.504 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.751 0.076 2.201 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.271 1.811 3.244 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.132 -1.211 1.705 1.00 0.00 C ATOM 0 H ILE A 103 2.864 0.851 6.087 1.00 0.00 H new ATOM 0 HA ILE A 103 5.105 0.215 4.322 1.00 0.00 H new ATOM 0 HB ILE A 103 2.500 -0.181 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.639 0.841 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.821 -0.078 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.499 1.558 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.802 2.128 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.886 2.622 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.615 -1.512 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.267 -1.992 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.067 -1.058 1.528 1.00 0.00 H new ATOM 1627 N ASN A 104 4.156 3.247 5.121 1.00 0.00 N ATOM 1628 CA ASN A 104 4.502 4.659 4.999 1.00 0.00 C ATOM 1629 C ASN A 104 5.803 4.976 5.723 1.00 0.00 C ATOM 1630 O ASN A 104 6.658 5.691 5.196 1.00 0.00 O ATOM 1631 CB ASN A 104 3.377 5.534 5.547 1.00 0.00 C ATOM 1632 CG ASN A 104 3.357 6.917 4.925 1.00 0.00 C ATOM 1633 OD1 ASN A 104 3.722 7.098 3.760 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.943 7.901 5.702 1.00 0.00 N ATOM 0 H ASN A 104 3.419 3.047 5.797 1.00 0.00 H new ATOM 0 HA ASN A 104 4.640 4.874 3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.420 5.044 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.488 5.627 6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.916 8.856 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.650 7.706 6.659 1.00 0.00 H new ATOM 1641 N SER A 105 5.958 4.435 6.923 1.00 0.00 N ATOM 1642 CA SER A 105 7.165 4.668 7.698 1.00 0.00 C ATOM 1643 C SER A 105 8.328 3.858 7.135 1.00 0.00 C ATOM 1644 O SER A 105 9.491 4.219 7.312 1.00 0.00 O ATOM 1645 CB SER A 105 6.926 4.326 9.169 1.00 0.00 C ATOM 1646 OG SER A 105 5.781 5.005 9.665 1.00 0.00 O ATOM 0 H SER A 105 5.268 3.836 7.377 1.00 0.00 H new ATOM 0 HA SER A 105 7.424 5.725 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.793 3.250 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.801 4.601 9.758 1.00 0.00 H new ATOM 0 HG SER A 105 4.981 4.467 9.490 1.00 0.00 H new ATOM 1652 N LYS A 106 8.013 2.764 6.444 1.00 0.00 N ATOM 1653 CA LYS A 106 9.034 1.979 5.768 1.00 0.00 C ATOM 1654 C LYS A 106 9.618 2.769 4.607 1.00 0.00 C ATOM 1655 O LYS A 106 10.821 2.718 4.358 1.00 0.00 O ATOM 1656 CB LYS A 106 8.466 0.654 5.266 1.00 0.00 C ATOM 1657 CG LYS A 106 9.146 -0.560 5.869 1.00 0.00 C ATOM 1658 CD LYS A 106 9.050 -1.766 4.952 1.00 0.00 C ATOM 1659 CE LYS A 106 9.038 -3.057 5.747 1.00 0.00 C ATOM 1660 NZ LYS A 106 8.805 -4.246 4.883 1.00 0.00 N ATOM 0 H LYS A 106 7.064 2.406 6.340 1.00 0.00 H new ATOM 0 HA LYS A 106 9.824 1.760 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.401 0.615 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 106 8.562 0.614 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.194 -0.332 6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.688 -0.795 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.144 -1.698 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.893 -1.769 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.988 -3.170 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.260 -3.005 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.144 -4.895 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.401 -3.941 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.707 -4.734 4.714 1.00 0.00 H new ATOM 1674 N TRP A 107 8.763 3.509 3.907 1.00 0.00 N ATOM 1675 CA TRP A 107 9.224 4.394 2.849 1.00 0.00 C ATOM 1676 C TRP A 107 10.181 5.429 3.420 1.00 0.00 C ATOM 1677 O TRP A 107 11.220 5.719 2.834 1.00 0.00 O ATOM 1678 CB TRP A 107 8.045 5.087 2.165 1.00 0.00 C ATOM 1679 CG TRP A 107 8.462 6.029 1.079 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.642 7.379 1.171 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.764 5.679 -0.268 1.00 0.00 C ATOM 1682 NE1 TRP A 107 9.035 7.886 -0.041 1.00 0.00 N ATOM 1683 CE2 TRP A 107 9.111 6.862 -0.942 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.766 4.480 -0.969 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.467 6.874 -2.285 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 9.117 4.491 -2.306 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.458 5.683 -2.951 1.00 0.00 C ATOM 0 H TRP A 107 7.754 3.512 4.054 1.00 0.00 H new ATOM 0 HA TRP A 107 9.746 3.796 2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.381 4.331 1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.471 5.636 2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.496 7.963 2.068 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.237 8.866 -0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.498 3.556 -0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.741 7.792 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 9.128 3.564 -2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.720 5.661 -3.999 1.00 0.00 H new ATOM 1698 N GLU A 108 9.833 5.959 4.583 1.00 0.00 N ATOM 1699 CA GLU A 108 10.672 6.936 5.255 1.00 0.00 C ATOM 1700 C GLU A 108 11.996 6.303 5.683 1.00 0.00 C ATOM 1701 O GLU A 108 13.031 6.966 5.710 1.00 0.00 O ATOM 1702 CB GLU A 108 9.941 7.509 6.464 1.00 0.00 C ATOM 1703 CG GLU A 108 9.513 8.955 6.288 1.00 0.00 C ATOM 1704 CD GLU A 108 10.436 9.924 6.993 1.00 0.00 C ATOM 1705 OE1 GLU A 108 11.260 9.477 7.821 1.00 0.00 O ATOM 1706 OE2 GLU A 108 10.337 11.142 6.734 1.00 0.00 O ATOM 0 H GLU A 108 8.973 5.727 5.081 1.00 0.00 H new ATOM 0 HA GLU A 108 10.890 7.746 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.060 6.900 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.588 7.434 7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.484 9.195 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.500 9.080 6.671 1.00 0.00 H new ATOM 1713 N LYS A 109 11.953 5.017 6.021 1.00 0.00 N ATOM 1714 CA LYS A 109 13.163 4.263 6.337 1.00 0.00 C ATOM 1715 C LYS A 109 14.048 4.158 5.102 1.00 0.00 C ATOM 1716 O LYS A 109 15.270 4.279 5.184 1.00 0.00 O ATOM 1717 CB LYS A 109 12.806 2.861 6.834 1.00 0.00 C ATOM 1718 CG LYS A 109 12.488 2.797 8.316 1.00 0.00 C ATOM 1719 CD LYS A 109 12.236 1.366 8.764 1.00 0.00 C ATOM 1720 CE LYS A 109 12.626 1.160 10.217 1.00 0.00 C ATOM 1721 NZ LYS A 109 14.036 0.714 10.356 1.00 0.00 N ATOM 0 H LYS A 109 11.092 4.474 6.083 1.00 0.00 H new ATOM 0 HA LYS A 109 13.702 4.789 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.947 2.495 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.637 2.188 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.315 3.219 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.610 3.407 8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.182 1.123 8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.803 0.681 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.484 2.091 10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.965 0.420 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.262 0.585 11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 14.166 -0.187 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.669 1.432 9.949 1.00 0.00 H new ATOM 1735 N VAL A 110 13.416 3.933 3.957 1.00 0.00 N ATOM 1736 CA VAL A 110 14.116 3.890 2.683 1.00 0.00 C ATOM 1737 C VAL A 110 14.748 5.248 2.387 1.00 0.00 C ATOM 1738 O VAL A 110 15.930 5.337 2.058 1.00 0.00 O ATOM 1739 CB VAL A 110 13.159 3.498 1.533 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.796 3.747 0.174 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.734 2.043 1.660 1.00 0.00 C ATOM 0 H VAL A 110 12.411 3.776 3.887 1.00 0.00 H new ATOM 0 HA VAL A 110 14.897 3.133 2.753 1.00 0.00 H new ATOM 0 HB VAL A 110 12.273 4.128 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.098 3.461 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.041 4.804 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.706 3.154 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.061 1.788 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.615 1.402 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.221 1.895 2.610 1.00 0.00 H new ATOM 1751 N GLN A 111 13.955 6.304 2.545 1.00 0.00 N ATOM 1752 CA GLN A 111 14.401 7.665 2.265 1.00 0.00 C ATOM 1753 C GLN A 111 15.566 8.060 3.155 1.00 0.00 C ATOM 1754 O GLN A 111 16.428 8.828 2.750 1.00 0.00 O ATOM 1755 CB GLN A 111 13.256 8.654 2.470 1.00 0.00 C ATOM 1756 CG GLN A 111 12.065 8.384 1.582 1.00 0.00 C ATOM 1757 CD GLN A 111 11.940 9.389 0.457 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.826 10.592 0.694 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.955 8.905 -0.774 1.00 0.00 N ATOM 0 H GLN A 111 12.990 6.241 2.869 1.00 0.00 H new ATOM 0 HA GLN A 111 14.729 7.693 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.938 8.620 3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.620 9.664 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.149 7.382 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.156 8.402 2.183 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.051 7.901 -0.926 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.870 9.536 -1.571 1.00 0.00 H new ATOM 1768 N GLN A 112 15.587 7.522 4.362 1.00 0.00 N ATOM 1769 CA GLN A 112 16.632 7.850 5.325 1.00 0.00 C ATOM 1770 C GLN A 112 17.975 7.251 4.909 1.00 0.00 C ATOM 1771 O GLN A 112 19.036 7.747 5.294 1.00 0.00 O ATOM 1772 CB GLN A 112 16.231 7.376 6.732 1.00 0.00 C ATOM 1773 CG GLN A 112 16.851 6.049 7.152 1.00 0.00 C ATOM 1774 CD GLN A 112 16.780 5.811 8.647 1.00 0.00 C ATOM 1775 OE1 GLN A 112 15.698 5.805 9.239 1.00 0.00 O ATOM 1776 NE2 GLN A 112 17.927 5.605 9.272 1.00 0.00 N ATOM 0 H GLN A 112 14.894 6.856 4.702 1.00 0.00 H new ATOM 0 HA GLN A 112 16.747 8.934 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.516 8.141 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.146 7.286 6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.341 5.236 6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 112 17.893 6.024 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.802 5.617 8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.936 5.434 10.277 1.00 0.00 H new ATOM 1785 N LEU A 113 17.928 6.200 4.104 1.00 0.00 N ATOM 1786 CA LEU A 113 19.141 5.513 3.681 1.00 0.00 C ATOM 1787 C LEU A 113 19.583 5.971 2.293 1.00 0.00 C ATOM 1788 O LEU A 113 20.677 5.628 1.834 1.00 0.00 O ATOM 1789 CB LEU A 113 18.929 4.001 3.692 1.00 0.00 C ATOM 1790 CG LEU A 113 18.979 3.353 5.076 1.00 0.00 C ATOM 1791 CD1 LEU A 113 18.018 2.176 5.151 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.395 2.908 5.407 1.00 0.00 C ATOM 0 H LEU A 113 17.065 5.804 3.731 1.00 0.00 H new ATOM 0 HA LEU A 113 19.930 5.766 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.962 3.781 3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.689 3.538 3.063 1.00 0.00 H new ATOM 0 HG LEU A 113 18.671 4.095 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.068 1.728 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 113 17.002 2.523 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 113 18.294 1.433 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.410 2.449 6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.731 2.183 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.060 3.772 5.397 1.00 0.00 H new ATOM 1804 N VAL A 114 18.737 6.752 1.633 1.00 0.00 N ATOM 1805 CA VAL A 114 19.031 7.234 0.290 1.00 0.00 C ATOM 1806 C VAL A 114 20.214 8.214 0.285 1.00 0.00 C ATOM 1807 O VAL A 114 21.196 7.970 -0.416 1.00 0.00 O ATOM 1808 CB VAL A 114 17.797 7.886 -0.377 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.167 8.485 -1.722 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.680 6.873 -0.546 1.00 0.00 C ATOM 0 H VAL A 114 17.841 7.065 2.007 1.00 0.00 H new ATOM 0 HA VAL A 114 19.307 6.358 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 114 17.445 8.686 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.285 8.938 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 114 18.935 9.246 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 114 18.548 7.701 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.822 7.353 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.026 6.051 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.389 6.486 0.431 1.00 0.00 H new ATOM 1820 N PRO A 115 20.155 9.323 1.071 1.00 0.00 N ATOM 1821 CA PRO A 115 21.226 10.335 1.099 1.00 0.00 C ATOM 1822 C PRO A 115 22.565 9.767 1.552 1.00 0.00 C ATOM 1823 O PRO A 115 23.619 10.199 1.088 1.00 0.00 O ATOM 1824 CB PRO A 115 20.726 11.377 2.108 1.00 0.00 C ATOM 1825 CG PRO A 115 19.693 10.673 2.914 1.00 0.00 C ATOM 1826 CD PRO A 115 19.057 9.689 1.980 1.00 0.00 C ATOM 0 HA PRO A 115 21.411 10.739 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.539 11.737 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 115 20.306 12.246 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 115 20.140 10.168 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 115 18.956 11.374 3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 115 18.671 8.821 2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.219 10.131 1.441 1.00 0.00 H new ATOM 1834 N LYS A 116 22.524 8.792 2.454 1.00 0.00 N ATOM 1835 CA LYS A 116 23.740 8.163 2.952 1.00 0.00 C ATOM 1836 C LYS A 116 24.472 7.453 1.817 1.00 0.00 C ATOM 1837 O LYS A 116 25.673 7.638 1.618 1.00 0.00 O ATOM 1838 CB LYS A 116 23.407 7.172 4.068 1.00 0.00 C ATOM 1839 CG LYS A 116 24.572 6.896 5.007 1.00 0.00 C ATOM 1840 CD LYS A 116 24.200 5.869 6.060 1.00 0.00 C ATOM 1841 CE LYS A 116 24.651 4.473 5.658 1.00 0.00 C ATOM 1842 NZ LYS A 116 24.948 3.626 6.840 1.00 0.00 N ATOM 0 H LYS A 116 21.662 8.421 2.854 1.00 0.00 H new ATOM 0 HA LYS A 116 24.391 8.938 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.568 7.559 4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.080 6.232 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 116 25.427 6.539 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 116 24.878 7.823 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 116 24.656 6.140 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 116 23.120 5.875 6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 116 23.874 3.999 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 116 25.539 4.545 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.252 2.683 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 25.707 4.065 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.094 3.536 7.426 1.00 0.00 H new ATOM 1856 N ARG A 117 23.729 6.661 1.060 1.00 0.00 N ATOM 1857 CA ARG A 117 24.291 5.936 -0.069 1.00 0.00 C ATOM 1858 C ARG A 117 24.558 6.880 -1.235 1.00 0.00 C ATOM 1859 O ARG A 117 25.475 6.663 -2.019 1.00 0.00 O ATOM 1860 CB ARG A 117 23.340 4.804 -0.476 1.00 0.00 C ATOM 1861 CG ARG A 117 23.805 3.993 -1.676 1.00 0.00 C ATOM 1862 CD ARG A 117 25.055 3.179 -1.365 1.00 0.00 C ATOM 1863 NE ARG A 117 24.837 2.195 -0.305 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.324 0.976 -0.496 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.954 0.574 -1.707 1.00 0.00 N ATOM 1866 NH2 ARG A 117 24.192 0.158 0.530 1.00 0.00 N ATOM 0 H ARG A 117 22.732 6.504 1.208 1.00 0.00 H new ATOM 0 HA ARG A 117 25.246 5.500 0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.210 4.132 0.373 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.362 5.230 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 117 23.006 3.323 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.008 4.664 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.384 2.667 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 117 25.859 3.853 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 117 25.095 2.458 0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.060 1.199 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.564 -0.359 -1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.481 0.457 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.801 -0.774 0.392 1.00 0.00 H new ATOM 1880 N ASP A 118 23.764 7.934 -1.325 1.00 0.00 N ATOM 1881 CA ASP A 118 23.946 8.963 -2.348 1.00 0.00 C ATOM 1882 C ASP A 118 25.265 9.691 -2.127 1.00 0.00 C ATOM 1883 O ASP A 118 25.945 10.078 -3.075 1.00 0.00 O ATOM 1884 CB ASP A 118 22.787 9.963 -2.284 1.00 0.00 C ATOM 1885 CG ASP A 118 22.035 10.123 -3.591 1.00 0.00 C ATOM 1886 OD1 ASP A 118 21.121 9.312 -3.860 1.00 0.00 O ATOM 1887 OD2 ASP A 118 22.321 11.087 -4.328 1.00 0.00 O ATOM 0 H ASP A 118 22.978 8.105 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 118 23.962 8.490 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.088 9.643 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.176 10.935 -1.980 1.00 0.00 H new ATOM 1892 N HIS A 119 25.636 9.838 -0.865 1.00 0.00 N ATOM 1893 CA HIS A 119 26.823 10.596 -0.505 1.00 0.00 C ATOM 1894 C HIS A 119 28.048 9.701 -0.498 1.00 0.00 C ATOM 1895 O HIS A 119 29.099 10.079 -1.013 1.00 0.00 O ATOM 1896 CB HIS A 119 26.647 11.261 0.859 1.00 0.00 C ATOM 1897 CG HIS A 119 27.480 12.493 1.027 1.00 0.00 C ATOM 1898 ND1 HIS A 119 27.027 13.758 0.727 1.00 0.00 N ATOM 1899 CD2 HIS A 119 28.753 12.645 1.457 1.00 0.00 C ATOM 1900 CE1 HIS A 119 27.988 14.634 0.964 1.00 0.00 C ATOM 1901 NE2 HIS A 119 29.046 13.985 1.409 1.00 0.00 N ATOM 0 H HIS A 119 25.131 9.442 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 119 26.966 11.375 -1.254 1.00 0.00 H new ATOM 0 HB2 HIS A 119 25.597 11.519 0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 119 26.905 10.546 1.640 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.417 11.857 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 119 27.918 15.702 0.818 1.00 0.00 H new ATOM 0 HE2 HIS A 119 29.935 14.409 1.674 1.00 0.00 H new ATOM 1910 N ALA A 120 27.907 8.515 0.082 1.00 0.00 N ATOM 1911 CA ALA A 120 29.004 7.564 0.143 1.00 0.00 C ATOM 1912 C ALA A 120 29.449 7.156 -1.253 1.00 0.00 C ATOM 1913 O ALA A 120 30.639 7.005 -1.514 1.00 0.00 O ATOM 1914 CB ALA A 120 28.602 6.341 0.955 1.00 0.00 C ATOM 0 H ALA A 120 27.043 8.191 0.516 1.00 0.00 H new ATOM 0 HA ALA A 120 29.846 8.048 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.435 5.638 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.341 6.647 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.742 5.861 0.488 1.00 0.00 H new ATOM 1920 N LEU A 121 28.485 6.999 -2.154 1.00 0.00 N ATOM 1921 CA LEU A 121 28.786 6.623 -3.525 1.00 0.00 C ATOM 1922 C LEU A 121 29.519 7.744 -4.238 1.00 0.00 C ATOM 1923 O LEU A 121 30.539 7.518 -4.888 1.00 0.00 O ATOM 1924 CB LEU A 121 27.506 6.291 -4.284 1.00 0.00 C ATOM 1925 CG LEU A 121 27.007 4.860 -4.113 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.636 4.699 -4.736 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.991 3.878 -4.717 1.00 0.00 C ATOM 0 H LEU A 121 27.492 7.127 -1.958 1.00 0.00 H new ATOM 0 HA LEU A 121 29.424 5.740 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 121 26.721 6.974 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.672 6.477 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 121 26.925 4.647 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 121 25.295 3.672 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.934 5.379 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.690 4.930 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 121 27.618 2.862 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 121 28.107 4.087 -5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.956 3.978 -4.220 1.00 0.00 H new ATOM 1939 N LEU A 122 28.990 8.954 -4.115 1.00 0.00 N ATOM 1940 CA LEU A 122 29.611 10.124 -4.727 1.00 0.00 C ATOM 1941 C LEU A 122 31.038 10.316 -4.228 1.00 0.00 C ATOM 1942 O LEU A 122 31.945 10.561 -5.018 1.00 0.00 O ATOM 1943 CB LEU A 122 28.780 11.379 -4.441 1.00 0.00 C ATOM 1944 CG LEU A 122 28.109 12.019 -5.661 1.00 0.00 C ATOM 1945 CD1 LEU A 122 29.072 12.964 -6.361 1.00 0.00 C ATOM 1946 CD2 LEU A 122 27.610 10.954 -6.630 1.00 0.00 C ATOM 0 H LEU A 122 28.133 9.152 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 122 29.647 9.959 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 122 28.008 11.124 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 122 29.425 12.122 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 122 27.249 12.591 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.580 13.410 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 122 29.376 13.751 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 122 29.951 12.410 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 122 27.138 11.434 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 122 28.451 10.349 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.884 10.316 -6.127 1.00 0.00 H new ATOM 1958 N GLU A 123 31.237 10.186 -2.926 1.00 0.00 N ATOM 1959 CA GLU A 123 32.565 10.341 -2.350 1.00 0.00 C ATOM 1960 C GLU A 123 33.508 9.252 -2.856 1.00 0.00 C ATOM 1961 O GLU A 123 34.636 9.534 -3.252 1.00 0.00 O ATOM 1962 CB GLU A 123 32.494 10.310 -0.826 1.00 0.00 C ATOM 1963 CG GLU A 123 33.180 11.496 -0.169 1.00 0.00 C ATOM 1964 CD GLU A 123 32.199 12.493 0.404 1.00 0.00 C ATOM 1965 OE1 GLU A 123 31.621 13.281 -0.374 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.003 12.498 1.636 1.00 0.00 O ATOM 0 H GLU A 123 30.502 9.975 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 123 32.958 11.308 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.449 10.287 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 123 32.952 9.389 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 123 33.834 11.138 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 123 33.814 11.996 -0.902 1.00 0.00 H new ATOM 1973 N GLU A 124 33.026 8.015 -2.863 1.00 0.00 N ATOM 1974 CA GLU A 124 33.826 6.881 -3.297 1.00 0.00 C ATOM 1975 C GLU A 124 34.151 6.961 -4.789 1.00 0.00 C ATOM 1976 O GLU A 124 35.280 6.688 -5.199 1.00 0.00 O ATOM 1977 CB GLU A 124 33.093 5.575 -2.992 1.00 0.00 C ATOM 1978 CG GLU A 124 33.881 4.601 -2.131 1.00 0.00 C ATOM 1979 CD GLU A 124 34.710 5.280 -1.059 1.00 0.00 C ATOM 1980 OE1 GLU A 124 34.126 5.942 -0.171 1.00 0.00 O ATOM 1981 OE2 GLU A 124 35.951 5.133 -1.085 1.00 0.00 O ATOM 0 H GLU A 124 32.079 7.773 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 124 34.767 6.907 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.154 5.808 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.839 5.087 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.189 3.904 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.539 4.012 -2.770 1.00 0.00 H new ATOM 1988 N GLN A 125 33.166 7.338 -5.599 1.00 0.00 N ATOM 1989 CA GLN A 125 33.374 7.449 -7.038 1.00 0.00 C ATOM 1990 C GLN A 125 34.327 8.600 -7.355 1.00 0.00 C ATOM 1991 O GLN A 125 35.020 8.581 -8.373 1.00 0.00 O ATOM 1992 CB GLN A 125 32.039 7.625 -7.776 1.00 0.00 C ATOM 1993 CG GLN A 125 31.524 9.055 -7.815 1.00 0.00 C ATOM 1994 CD GLN A 125 31.004 9.451 -9.183 1.00 0.00 C ATOM 1995 OE1 GLN A 125 31.218 10.573 -9.642 1.00 0.00 O ATOM 1996 NE2 GLN A 125 30.321 8.533 -9.845 1.00 0.00 N ATOM 0 H GLN A 125 32.223 7.570 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 125 33.828 6.522 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.153 7.265 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.289 6.995 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 125 30.727 9.170 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.326 9.734 -7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.165 7.615 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 125 29.950 8.743 -10.771 1.00 0.00 H new ATOM 2005 N SER A 126 34.375 9.590 -6.470 1.00 0.00 N ATOM 2006 CA SER A 126 35.305 10.702 -6.635 1.00 0.00 C ATOM 2007 C SER A 126 36.710 10.297 -6.198 1.00 0.00 C ATOM 2008 O SER A 126 37.691 10.960 -6.534 1.00 0.00 O ATOM 2009 CB SER A 126 34.837 11.921 -5.841 1.00 0.00 C ATOM 2010 OG SER A 126 33.515 12.279 -6.200 1.00 0.00 O ATOM 0 H SER A 126 33.787 9.646 -5.638 1.00 0.00 H new ATOM 0 HA SER A 126 35.331 10.966 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 126 34.883 11.705 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 126 35.508 12.760 -6.025 1.00 0.00 H new ATOM 0 HG SER A 126 32.879 11.777 -5.648 1.00 0.00 H new ATOM 2016 N LYS A 127 36.796 9.197 -5.458 1.00 0.00 N ATOM 2017 CA LYS A 127 38.075 8.674 -5.001 1.00 0.00 C ATOM 2018 C LYS A 127 38.670 7.738 -6.047 1.00 0.00 C ATOM 2019 O LYS A 127 39.697 7.099 -5.823 1.00 0.00 O ATOM 2020 CB LYS A 127 37.905 7.937 -3.671 1.00 0.00 C ATOM 2021 CG LYS A 127 37.984 8.846 -2.456 1.00 0.00 C ATOM 2022 CD LYS A 127 37.225 8.263 -1.274 1.00 0.00 C ATOM 2023 CE LYS A 127 37.492 9.046 0.002 1.00 0.00 C ATOM 2024 NZ LYS A 127 37.985 8.171 1.097 1.00 0.00 N ATOM 0 H LYS A 127 35.989 8.649 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 127 38.757 9.511 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 127 36.942 7.425 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.674 7.169 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 127 39.028 8.997 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 127 37.575 9.825 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 127 36.156 8.268 -1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 127 37.516 7.222 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 127 38.227 9.826 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 127 36.576 9.545 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 38.155 8.743 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.273 7.442 1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 38.872 7.715 0.804 1.00 0.00 H new ATOM 2038 N GLN A 128 37.994 7.643 -7.182 1.00 0.00 N ATOM 2039 CA GLN A 128 38.487 6.867 -8.307 1.00 0.00 C ATOM 2040 C GLN A 128 38.983 7.809 -9.400 1.00 0.00 C ATOM 2041 O GLN A 128 39.626 8.822 -9.109 1.00 0.00 O ATOM 2042 CB GLN A 128 37.379 5.959 -8.846 1.00 0.00 C ATOM 2043 CG GLN A 128 36.756 5.066 -7.792 1.00 0.00 C ATOM 2044 CD GLN A 128 37.495 3.758 -7.629 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.989 3.181 -8.599 1.00 0.00 O ATOM 2046 NE2 GLN A 128 37.579 3.284 -6.400 1.00 0.00 N ATOM 0 H GLN A 128 37.096 8.098 -7.348 1.00 0.00 H new ATOM 0 HA GLN A 128 39.316 6.240 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.600 6.577 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.787 5.336 -9.642 1.00 0.00 H new ATOM 0 HG2 GLN A 128 36.741 5.592 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.719 4.863 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 128 37.155 3.795 -5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 128 38.068 2.406 -6.224 1.00 0.00 H new ATOM 2055 N GLN A 129 38.683 7.487 -10.648 1.00 0.00 N ATOM 2056 CA GLN A 129 39.045 8.342 -11.760 1.00 0.00 C ATOM 2057 C GLN A 129 37.785 8.827 -12.469 1.00 0.00 C ATOM 2058 O GLN A 129 37.254 8.094 -13.328 1.00 0.00 O ATOM 2059 CB GLN A 129 39.980 7.617 -12.734 1.00 0.00 C ATOM 2060 CG GLN A 129 39.652 6.147 -12.934 1.00 0.00 C ATOM 2061 CD GLN A 129 39.443 5.795 -14.394 1.00 0.00 C ATOM 2062 OE1 GLN A 129 40.291 5.161 -15.022 1.00 0.00 O ATOM 2063 NE2 GLN A 129 38.317 6.211 -14.946 1.00 0.00 N ATOM 2064 OXT GLN A 129 37.312 9.931 -12.136 1.00 0.00 O ATOM 0 H GLN A 129 38.188 6.636 -10.914 1.00 0.00 H new ATOM 0 HA GLN A 129 39.585 9.206 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 129 39.942 8.121 -13.700 1.00 0.00 H new ATOM 0 HB3 GLN A 129 41.004 7.703 -12.370 1.00 0.00 H new ATOM 0 HG2 GLN A 129 40.460 5.539 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 129 38.753 5.898 -12.371 1.00 0.00 H new ATOM 0 HE21 GLN A 129 37.640 6.734 -14.391 1.00 0.00 H new ATOM 0 HE22 GLN A 129 38.125 6.009 -15.927 1.00 0.00 H new