USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 54 TYR OH : rot -30:sc= 1.28 USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= 1.04 F(o=0.39,f=2.3) USER MOD Set 2.1: A 85 THR OG1 : rot -56:sc= 0.963 USER MOD Set 2.2: A 106 HIS : no HE2:sc= -0.45 K(o=0.51,f=-0.4) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.523 K(o=0.52,f=-0.83) USER MOD Single : A 39 ASN : amide:sc= -3.47! C(o=-3.5!,f=-8.2!) USER MOD Single : A 43 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 52 SER OG : rot 70:sc=-0.00806 USER MOD Single : A 63 SER OG : rot 172:sc= 0.825 USER MOD Single : A 72 GLN : amide:sc= -0.777 K(o=-0.78,f=-4.6!) USER MOD Single : A 76 TYR OH : rot 6:sc= 0.491 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -25:sc= 0.533 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 84 SER OG : rot -39:sc= -2.8! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0.903 (180deg=0.886) USER MOD Single : A 103 LYS NZ :NH3+ 170:sc= -0.393 (180deg=-0.426) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ -164:sc= 1.82 (180deg=1.76) USER MOD Single : B 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 249 GLN :FLIP amide:sc= -1.57! C(o=-2.5!,f=-1.6!) USER MOD Single : B 250 ASN : amide:sc= -0.621! C(o=-0.62!,f=-3.7!) USER MOD Single : B 253 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.251 8.858 4.863 1.00 0.00 N ATOM 102 CA ALA A 31 3.120 8.371 3.517 1.00 0.00 C ATOM 103 C ALA A 31 3.002 6.871 3.523 1.00 0.00 C ATOM 104 O ALA A 31 2.644 6.276 2.519 1.00 0.00 O ATOM 105 CB ALA A 31 4.305 8.802 2.669 1.00 0.00 C ATOM 0 HA ALA A 31 2.217 8.798 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.184 8.422 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.358 9.890 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.224 8.403 3.099 1.00 0.00 H new ATOM 111 N TYR A 32 3.291 6.268 4.662 1.00 0.00 N ATOM 112 CA TYR A 32 3.258 4.826 4.781 1.00 0.00 C ATOM 113 C TYR A 32 1.964 4.408 5.443 1.00 0.00 C ATOM 114 O TYR A 32 1.464 5.111 6.326 1.00 0.00 O ATOM 115 CB TYR A 32 4.413 4.330 5.662 1.00 0.00 C ATOM 116 CG TYR A 32 5.793 4.838 5.297 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.225 4.876 3.986 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.665 5.275 6.283 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.484 5.330 3.668 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.925 5.727 5.974 1.00 0.00 C ATOM 121 CZ TYR A 32 8.335 5.751 4.667 1.00 0.00 C ATOM 122 OH TYR A 32 9.606 6.213 4.351 1.00 0.00 O ATOM 0 H TYR A 32 3.551 6.758 5.518 1.00 0.00 H new ATOM 0 HA TYR A 32 3.344 4.399 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.204 4.614 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.428 3.241 5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.565 4.544 3.198 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.347 5.260 7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.805 5.356 2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.589 6.062 6.757 1.00 0.00 H new ATOM 0 HH TYR A 32 10.074 6.471 5.173 1.00 0.00 H new ATOM 132 N ILE A 33 1.429 3.283 5.043 1.00 0.00 N ATOM 133 CA ILE A 33 0.242 2.735 5.666 1.00 0.00 C ATOM 134 C ILE A 33 0.338 1.240 5.783 1.00 0.00 C ATOM 135 O ILE A 33 1.134 0.594 5.085 1.00 0.00 O ATOM 136 CB ILE A 33 -1.079 3.081 4.930 1.00 0.00 C ATOM 137 CG1 ILE A 33 -0.980 2.750 3.439 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.477 4.529 5.165 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.281 2.880 2.701 1.00 0.00 C ATOM 0 H ILE A 33 1.800 2.719 4.278 1.00 0.00 H new ATOM 0 HA ILE A 33 0.204 3.203 6.650 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.871 2.460 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.244 3.409 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.610 1.731 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.406 4.741 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.620 4.699 6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.691 5.187 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.130 2.629 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.015 2.201 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.644 3.905 2.781 1.00 0.00 H new ATOM 151 N TYR A 34 -0.452 0.719 6.667 1.00 0.00 N ATOM 152 CA TYR A 34 -0.570 -0.675 6.916 1.00 0.00 C ATOM 153 C TYR A 34 -1.913 -1.131 6.411 1.00 0.00 C ATOM 154 O TYR A 34 -2.947 -0.582 6.804 1.00 0.00 O ATOM 155 CB TYR A 34 -0.458 -0.936 8.433 1.00 0.00 C ATOM 156 CG TYR A 34 -0.888 -2.315 8.882 1.00 0.00 C ATOM 157 CD1 TYR A 34 -0.032 -3.396 8.819 1.00 0.00 C ATOM 158 CD2 TYR A 34 -2.171 -2.519 9.359 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.448 -4.654 9.224 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.598 -3.759 9.760 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.738 -4.825 9.693 1.00 0.00 C ATOM 162 OH TYR A 34 -2.170 -6.071 10.095 1.00 0.00 O ATOM 0 H TYR A 34 -1.059 1.284 7.261 1.00 0.00 H new ATOM 0 HA TYR A 34 0.223 -1.223 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.577 -0.778 8.737 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.061 -0.196 8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.974 -3.260 8.450 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.852 -1.682 9.417 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.229 -5.494 9.174 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.605 -3.895 10.126 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.100 -6.013 10.397 1.00 0.00 H new ATOM 172 N ILE A 35 -1.906 -2.070 5.532 1.00 0.00 N ATOM 173 CA ILE A 35 -3.125 -2.662 5.066 1.00 0.00 C ATOM 174 C ILE A 35 -3.171 -4.057 5.655 1.00 0.00 C ATOM 175 O ILE A 35 -2.208 -4.796 5.543 1.00 0.00 O ATOM 176 CB ILE A 35 -3.133 -2.788 3.531 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.681 -1.490 2.896 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.561 -3.101 3.059 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.049 -1.677 1.540 1.00 0.00 C ATOM 0 H ILE A 35 -1.060 -2.454 5.112 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.975 -2.047 5.361 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.453 -3.587 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.538 -0.823 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.967 -1.000 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.574 -3.191 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.894 -4.038 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.230 -2.296 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.748 -0.708 1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.173 -2.319 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.768 -2.139 0.864 1.00 0.00 H new ATOM 191 N GLY A 36 -4.238 -4.386 6.286 1.00 0.00 N ATOM 192 CA GLY A 36 -4.394 -5.673 6.893 1.00 0.00 C ATOM 193 C GLY A 36 -5.697 -6.298 6.491 1.00 0.00 C ATOM 194 O GLY A 36 -6.580 -5.599 5.976 1.00 0.00 O ATOM 0 H GLY A 36 -5.041 -3.768 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.569 -6.321 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.352 -5.576 7.978 1.00 0.00 H new ATOM 198 N ASN A 37 -5.819 -7.594 6.745 1.00 0.00 N ATOM 199 CA ASN A 37 -6.989 -8.418 6.384 1.00 0.00 C ATOM 200 C ASN A 37 -7.049 -8.633 4.891 1.00 0.00 C ATOM 201 O ASN A 37 -8.122 -8.724 4.299 1.00 0.00 O ATOM 202 CB ASN A 37 -8.331 -7.859 6.916 1.00 0.00 C ATOM 203 CG ASN A 37 -8.420 -7.830 8.429 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.789 -8.635 9.127 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.246 -6.966 8.952 1.00 0.00 N ATOM 0 H ASN A 37 -5.091 -8.126 7.221 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.848 -9.379 6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.471 -6.848 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.148 -8.465 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.386 -6.941 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.752 -6.315 8.351 1.00 0.00 H new ATOM 212 N LEU A 38 -5.879 -8.753 4.286 1.00 0.00 N ATOM 213 CA LEU A 38 -5.773 -9.029 2.864 1.00 0.00 C ATOM 214 C LEU A 38 -6.247 -10.412 2.543 1.00 0.00 C ATOM 215 O LEU A 38 -6.206 -11.316 3.381 1.00 0.00 O ATOM 216 CB LEU A 38 -4.337 -8.866 2.324 1.00 0.00 C ATOM 217 CG LEU A 38 -3.926 -7.487 1.830 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.778 -7.083 0.648 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.041 -6.471 2.922 1.00 0.00 C ATOM 0 H LEU A 38 -4.982 -8.663 4.763 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.409 -8.290 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.645 -9.161 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.204 -9.571 1.503 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.883 -7.533 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.475 -6.095 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.648 -7.805 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.826 -7.058 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.741 -5.494 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.073 -6.425 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.392 -6.753 3.751 1.00 0.00 H new ATOM 231 N ASN A 39 -6.706 -10.566 1.347 1.00 0.00 N ATOM 232 CA ASN A 39 -7.134 -11.835 0.846 1.00 0.00 C ATOM 233 C ASN A 39 -5.929 -12.465 0.176 1.00 0.00 C ATOM 234 O ASN A 39 -5.064 -11.750 -0.331 1.00 0.00 O ATOM 235 CB ASN A 39 -8.227 -11.625 -0.202 1.00 0.00 C ATOM 236 CG ASN A 39 -9.035 -12.877 -0.521 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.595 -14.004 -0.306 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.171 -12.689 -1.112 1.00 0.00 N ATOM 0 H ASN A 39 -6.797 -9.803 0.676 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.525 -12.463 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.906 -10.847 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.769 -11.258 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.728 -13.489 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.510 -11.741 -1.276 1.00 0.00 H new ATOM 245 N ARG A 40 -5.881 -13.771 0.148 1.00 0.00 N ATOM 246 CA ARG A 40 -4.786 -14.512 -0.465 1.00 0.00 C ATOM 247 C ARG A 40 -4.709 -14.264 -1.983 1.00 0.00 C ATOM 248 O ARG A 40 -3.700 -14.556 -2.621 1.00 0.00 O ATOM 249 CB ARG A 40 -4.914 -16.027 -0.125 1.00 0.00 C ATOM 250 CG ARG A 40 -6.148 -16.762 -0.686 1.00 0.00 C ATOM 251 CD ARG A 40 -5.940 -17.137 -2.141 1.00 0.00 C ATOM 252 NE ARG A 40 -7.032 -17.904 -2.714 1.00 0.00 N ATOM 253 CZ ARG A 40 -6.869 -18.862 -3.640 1.00 0.00 C ATOM 254 NH1 ARG A 40 -5.635 -19.268 -3.982 1.00 0.00 N ATOM 255 NH2 ARG A 40 -7.930 -19.444 -4.185 1.00 0.00 N ATOM 0 H ARG A 40 -6.604 -14.366 0.552 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.846 -14.149 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.021 -16.534 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.919 -16.133 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.339 -17.660 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.028 -16.126 -0.592 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.803 -16.227 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.019 -17.713 -2.229 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.979 -17.703 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.819 -18.848 -3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.515 -19.996 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.868 -19.163 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.807 -20.172 -4.889 1.00 0.00 H new ATOM 269 N GLU A 41 -5.792 -13.748 -2.544 1.00 0.00 N ATOM 270 CA GLU A 41 -5.870 -13.490 -3.977 1.00 0.00 C ATOM 271 C GLU A 41 -5.554 -12.028 -4.291 1.00 0.00 C ATOM 272 O GLU A 41 -5.643 -11.598 -5.442 1.00 0.00 O ATOM 273 CB GLU A 41 -7.260 -13.847 -4.511 1.00 0.00 C ATOM 274 CG GLU A 41 -8.373 -13.045 -3.884 1.00 0.00 C ATOM 275 CD GLU A 41 -9.720 -13.375 -4.448 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.204 -14.495 -4.216 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.339 -12.500 -5.107 1.00 0.00 O ATOM 0 H GLU A 41 -6.635 -13.498 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.127 -14.117 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.276 -13.693 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.445 -14.907 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.381 -13.224 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.175 -11.983 -4.029 1.00 0.00 H new ATOM 284 N LEU A 42 -5.202 -11.270 -3.285 1.00 0.00 N ATOM 285 CA LEU A 42 -4.905 -9.878 -3.486 1.00 0.00 C ATOM 286 C LEU A 42 -3.423 -9.652 -3.587 1.00 0.00 C ATOM 287 O LEU A 42 -2.664 -9.936 -2.663 1.00 0.00 O ATOM 288 CB LEU A 42 -5.553 -8.991 -2.417 1.00 0.00 C ATOM 289 CG LEU A 42 -7.084 -8.894 -2.472 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.621 -8.062 -1.320 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.533 -8.298 -3.800 1.00 0.00 C ATOM 0 H LEU A 42 -5.115 -11.593 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.346 -9.582 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.266 -9.368 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.140 -7.986 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.486 -9.903 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.708 -8.010 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.335 -8.522 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.206 -7.055 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.621 -8.237 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.111 -7.299 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.189 -8.931 -4.618 1.00 0.00 H new ATOM 303 N THR A 43 -3.032 -9.181 -4.726 1.00 0.00 N ATOM 304 CA THR A 43 -1.667 -8.900 -5.038 1.00 0.00 C ATOM 305 C THR A 43 -1.460 -7.399 -5.060 1.00 0.00 C ATOM 306 O THR A 43 -2.436 -6.629 -4.911 1.00 0.00 O ATOM 307 CB THR A 43 -1.277 -9.489 -6.412 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.113 -8.934 -7.445 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.409 -11.003 -6.412 1.00 0.00 C ATOM 0 H THR A 43 -3.675 -8.974 -5.491 1.00 0.00 H new ATOM 0 HA THR A 43 -1.037 -9.359 -4.276 1.00 0.00 H new ATOM 0 HB THR A 43 -0.236 -9.229 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.036 -9.238 -7.317 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.129 -11.393 -7.391 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.752 -11.425 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.441 -11.278 -6.194 1.00 0.00 H new ATOM 317 N GLU A 44 -0.215 -6.980 -5.230 1.00 0.00 N ATOM 318 CA GLU A 44 0.146 -5.582 -5.308 1.00 0.00 C ATOM 319 C GLU A 44 -0.666 -4.892 -6.387 1.00 0.00 C ATOM 320 O GLU A 44 -1.159 -3.808 -6.176 1.00 0.00 O ATOM 321 CB GLU A 44 1.649 -5.390 -5.631 1.00 0.00 C ATOM 322 CG GLU A 44 2.639 -6.025 -4.654 1.00 0.00 C ATOM 323 CD GLU A 44 2.910 -7.498 -4.915 1.00 0.00 C ATOM 324 OE1 GLU A 44 1.986 -8.318 -4.857 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.069 -7.852 -5.202 1.00 0.00 O ATOM 0 H GLU A 44 0.579 -7.614 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.063 -5.145 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.840 -5.797 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.855 -4.321 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.581 -5.479 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.256 -5.911 -3.640 1.00 0.00 H new ATOM 332 N GLY A 45 -0.842 -5.565 -7.520 1.00 0.00 N ATOM 333 CA GLY A 45 -1.605 -5.008 -8.628 1.00 0.00 C ATOM 334 C GLY A 45 -3.052 -4.698 -8.256 1.00 0.00 C ATOM 335 O GLY A 45 -3.596 -3.649 -8.644 1.00 0.00 O ATOM 0 H GLY A 45 -0.466 -6.497 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.120 -4.095 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.592 -5.711 -9.461 1.00 0.00 H new ATOM 339 N ASP A 46 -3.661 -5.580 -7.468 1.00 0.00 N ATOM 340 CA ASP A 46 -5.048 -5.402 -7.032 1.00 0.00 C ATOM 341 C ASP A 46 -5.130 -4.213 -6.123 1.00 0.00 C ATOM 342 O ASP A 46 -5.981 -3.329 -6.304 1.00 0.00 O ATOM 343 CB ASP A 46 -5.569 -6.634 -6.279 1.00 0.00 C ATOM 344 CG ASP A 46 -5.536 -7.904 -7.082 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.420 -8.111 -7.927 1.00 0.00 O ATOM 346 OD2 ASP A 46 -4.635 -8.734 -6.866 1.00 0.00 O ATOM 0 H ASP A 46 -3.217 -6.428 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.662 -5.257 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.975 -6.772 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.594 -6.445 -5.960 1.00 0.00 H new ATOM 351 N ILE A 47 -4.219 -4.181 -5.168 1.00 0.00 N ATOM 352 CA ILE A 47 -4.117 -3.099 -4.215 1.00 0.00 C ATOM 353 C ILE A 47 -3.853 -1.777 -4.925 1.00 0.00 C ATOM 354 O ILE A 47 -4.545 -0.806 -4.696 1.00 0.00 O ATOM 355 CB ILE A 47 -3.012 -3.382 -3.156 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.425 -4.549 -2.248 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.672 -2.144 -2.338 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.443 -4.835 -1.137 1.00 0.00 C ATOM 0 H ILE A 47 -3.523 -4.915 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.071 -3.025 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.106 -3.664 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.399 -4.330 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.543 -5.446 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.897 -2.389 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.313 -1.357 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.563 -1.798 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.804 -5.672 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.473 -5.087 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.343 -3.953 -0.504 1.00 0.00 H new ATOM 370 N LEU A 48 -2.919 -1.790 -5.852 1.00 0.00 N ATOM 371 CA LEU A 48 -2.516 -0.597 -6.585 1.00 0.00 C ATOM 372 C LEU A 48 -3.656 -0.005 -7.332 1.00 0.00 C ATOM 373 O LEU A 48 -3.791 1.201 -7.374 1.00 0.00 O ATOM 374 CB LEU A 48 -1.397 -0.903 -7.567 1.00 0.00 C ATOM 375 CG LEU A 48 -0.013 -1.082 -6.986 1.00 0.00 C ATOM 376 CD1 LEU A 48 0.934 -1.591 -8.053 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.492 0.236 -6.430 1.00 0.00 C ATOM 0 H LEU A 48 -2.411 -2.632 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.162 0.118 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.659 -1.812 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.357 -0.096 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.061 -1.811 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.929 -1.717 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.576 -2.549 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.979 -0.873 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.490 0.097 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.532 0.976 -7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.183 0.583 -5.647 1.00 0.00 H new ATOM 389 N THR A 49 -4.489 -0.849 -7.893 1.00 0.00 N ATOM 390 CA THR A 49 -5.609 -0.374 -8.651 1.00 0.00 C ATOM 391 C THR A 49 -6.583 0.391 -7.755 1.00 0.00 C ATOM 392 O THR A 49 -6.996 1.508 -8.078 1.00 0.00 O ATOM 393 CB THR A 49 -6.359 -1.536 -9.296 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.463 -2.320 -10.119 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.482 -0.981 -10.130 1.00 0.00 C ATOM 0 H THR A 49 -4.408 -1.864 -7.836 1.00 0.00 H new ATOM 0 HA THR A 49 -5.221 0.288 -9.425 1.00 0.00 H new ATOM 0 HB THR A 49 -6.762 -2.188 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.831 -2.802 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.027 -1.801 -10.598 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.159 -0.410 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.074 -0.329 -10.903 1.00 0.00 H new ATOM 403 N VAL A 50 -6.884 -0.197 -6.617 1.00 0.00 N ATOM 404 CA VAL A 50 -7.798 0.395 -5.665 1.00 0.00 C ATOM 405 C VAL A 50 -7.195 1.657 -5.054 1.00 0.00 C ATOM 406 O VAL A 50 -7.812 2.707 -5.044 1.00 0.00 O ATOM 407 CB VAL A 50 -8.174 -0.623 -4.557 1.00 0.00 C ATOM 408 CG1 VAL A 50 -9.109 -0.006 -3.537 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.800 -1.866 -5.173 1.00 0.00 C ATOM 0 H VAL A 50 -6.503 -1.097 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.709 0.672 -6.195 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.259 -0.910 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.354 -0.745 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.624 0.851 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.023 0.320 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.059 -2.572 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.700 -1.587 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.089 -2.331 -5.857 1.00 0.00 H new ATOM 419 N PHE A 51 -5.963 1.545 -4.624 1.00 0.00 N ATOM 420 CA PHE A 51 -5.255 2.607 -3.968 1.00 0.00 C ATOM 421 C PHE A 51 -5.007 3.808 -4.880 1.00 0.00 C ATOM 422 O PHE A 51 -4.925 4.946 -4.424 1.00 0.00 O ATOM 423 CB PHE A 51 -3.991 2.068 -3.309 1.00 0.00 C ATOM 424 CG PHE A 51 -4.274 1.279 -2.018 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.221 0.264 -1.978 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.592 1.569 -0.855 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.470 -0.433 -0.817 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.837 0.879 0.298 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.773 -0.122 0.328 1.00 0.00 C ATOM 0 H PHE A 51 -5.415 0.691 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.891 3.000 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.467 1.423 -4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.324 2.899 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.772 0.017 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.851 2.355 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.209 -1.220 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.288 1.125 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.962 -0.663 1.244 1.00 0.00 H new ATOM 439 N SER A 52 -4.977 3.560 -6.177 1.00 0.00 N ATOM 440 CA SER A 52 -4.829 4.620 -7.150 1.00 0.00 C ATOM 441 C SER A 52 -6.057 5.538 -7.192 1.00 0.00 C ATOM 442 O SER A 52 -5.957 6.682 -7.620 1.00 0.00 O ATOM 443 CB SER A 52 -4.532 4.056 -8.519 1.00 0.00 C ATOM 444 OG SER A 52 -3.248 3.461 -8.568 1.00 0.00 O ATOM 0 H SER A 52 -5.054 2.626 -6.580 1.00 0.00 H new ATOM 0 HA SER A 52 -3.981 5.229 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.288 3.315 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.594 4.851 -9.262 1.00 0.00 H new ATOM 0 HG SER A 52 -3.248 2.638 -8.036 1.00 0.00 H new ATOM 450 N GLU A 53 -7.204 5.049 -6.741 1.00 0.00 N ATOM 451 CA GLU A 53 -8.404 5.885 -6.658 1.00 0.00 C ATOM 452 C GLU A 53 -8.185 7.027 -5.619 1.00 0.00 C ATOM 453 O GLU A 53 -8.719 8.145 -5.758 1.00 0.00 O ATOM 454 CB GLU A 53 -9.618 5.027 -6.250 1.00 0.00 C ATOM 455 CG GLU A 53 -10.934 5.792 -6.159 1.00 0.00 C ATOM 456 CD GLU A 53 -12.041 4.983 -5.518 1.00 0.00 C ATOM 457 OE1 GLU A 53 -11.909 4.649 -4.347 1.00 0.00 O ATOM 458 OE2 GLU A 53 -13.104 4.749 -6.160 1.00 0.00 O ATOM 0 H GLU A 53 -7.334 4.087 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.596 6.327 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.733 4.217 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.413 4.567 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.779 6.705 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.243 6.093 -7.160 1.00 0.00 H new ATOM 465 N TYR A 54 -7.348 6.758 -4.623 1.00 0.00 N ATOM 466 CA TYR A 54 -7.120 7.686 -3.520 1.00 0.00 C ATOM 467 C TYR A 54 -5.963 8.625 -3.795 1.00 0.00 C ATOM 468 O TYR A 54 -5.836 9.684 -3.173 1.00 0.00 O ATOM 469 CB TYR A 54 -6.900 6.906 -2.239 1.00 0.00 C ATOM 470 CG TYR A 54 -8.014 5.925 -2.046 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.296 6.339 -1.740 1.00 0.00 C ATOM 472 CD2 TYR A 54 -7.795 4.599 -2.256 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.319 5.430 -1.637 1.00 0.00 C ATOM 474 CE2 TYR A 54 -8.801 3.684 -2.177 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.061 4.097 -1.863 1.00 0.00 C ATOM 476 OH TYR A 54 -11.076 3.185 -1.815 1.00 0.00 O ATOM 0 H TYR A 54 -6.810 5.894 -4.557 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.006 8.311 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.945 6.382 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.853 7.588 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.495 7.388 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.796 4.262 -2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.316 5.757 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.601 2.639 -2.362 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.760 3.490 -1.183 1.00 0.00 H new ATOM 486 N GLY A 55 -5.138 8.261 -4.731 1.00 0.00 N ATOM 487 CA GLY A 55 -4.026 9.072 -5.077 1.00 0.00 C ATOM 488 C GLY A 55 -3.048 8.313 -5.895 1.00 0.00 C ATOM 489 O GLY A 55 -3.388 7.289 -6.475 1.00 0.00 O ATOM 0 H GLY A 55 -5.222 7.398 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.368 9.947 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.542 9.437 -4.171 1.00 0.00 H new ATOM 493 N VAL A 56 -1.847 8.792 -5.942 1.00 0.00 N ATOM 494 CA VAL A 56 -0.817 8.163 -6.719 1.00 0.00 C ATOM 495 C VAL A 56 0.085 7.322 -5.822 1.00 0.00 C ATOM 496 O VAL A 56 0.801 7.870 -4.961 1.00 0.00 O ATOM 497 CB VAL A 56 0.034 9.211 -7.484 1.00 0.00 C ATOM 498 CG1 VAL A 56 1.129 8.539 -8.311 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.853 10.055 -8.378 1.00 0.00 C ATOM 0 H VAL A 56 -1.548 9.630 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.302 7.517 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 56 0.515 9.855 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.708 9.300 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.787 7.973 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.675 7.865 -9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.244 10.786 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.360 9.413 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.594 10.573 -7.770 1.00 0.00 H new ATOM 509 N PRO A 57 0.020 5.990 -5.958 1.00 0.00 N ATOM 510 CA PRO A 57 0.900 5.085 -5.239 1.00 0.00 C ATOM 511 C PRO A 57 2.289 5.096 -5.880 1.00 0.00 C ATOM 512 O PRO A 57 2.412 5.202 -7.112 1.00 0.00 O ATOM 513 CB PRO A 57 0.226 3.721 -5.435 1.00 0.00 C ATOM 514 CG PRO A 57 -0.475 3.836 -6.736 1.00 0.00 C ATOM 515 CD PRO A 57 -0.933 5.258 -6.824 1.00 0.00 C ATOM 0 HA PRO A 57 1.038 5.346 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.959 2.915 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.472 3.503 -4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.190 3.587 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.319 3.149 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.904 5.625 -7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.959 5.370 -6.474 1.00 0.00 H new ATOM 523 N VAL A 58 3.324 5.045 -5.074 1.00 0.00 N ATOM 524 CA VAL A 58 4.677 5.068 -5.618 1.00 0.00 C ATOM 525 C VAL A 58 5.464 3.822 -5.251 1.00 0.00 C ATOM 526 O VAL A 58 6.530 3.569 -5.814 1.00 0.00 O ATOM 527 CB VAL A 58 5.479 6.336 -5.214 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.799 7.587 -5.714 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.673 6.411 -3.721 1.00 0.00 C ATOM 0 H VAL A 58 3.267 4.988 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 58 4.545 5.093 -6.700 1.00 0.00 H new ATOM 0 HB VAL A 58 6.461 6.263 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.380 8.460 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.725 7.551 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.799 7.654 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.238 7.310 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.701 6.445 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.221 5.532 -3.381 1.00 0.00 H new ATOM 539 N ASP A 59 4.960 3.054 -4.304 1.00 0.00 N ATOM 540 CA ASP A 59 5.621 1.827 -3.884 1.00 0.00 C ATOM 541 C ASP A 59 4.648 0.992 -3.103 1.00 0.00 C ATOM 542 O ASP A 59 3.891 1.532 -2.282 1.00 0.00 O ATOM 543 CB ASP A 59 6.864 2.119 -3.028 1.00 0.00 C ATOM 544 CG ASP A 59 7.728 0.892 -2.815 1.00 0.00 C ATOM 545 OD1 ASP A 59 8.202 0.298 -3.824 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.965 0.501 -1.662 1.00 0.00 O ATOM 0 H ASP A 59 4.092 3.257 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 59 5.952 1.290 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.457 2.897 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.550 2.510 -2.060 1.00 0.00 H new ATOM 551 N VAL A 60 4.636 -0.288 -3.369 1.00 0.00 N ATOM 552 CA VAL A 60 3.743 -1.210 -2.711 1.00 0.00 C ATOM 553 C VAL A 60 4.440 -2.559 -2.506 1.00 0.00 C ATOM 554 O VAL A 60 5.152 -3.055 -3.394 1.00 0.00 O ATOM 555 CB VAL A 60 2.432 -1.400 -3.532 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.723 -2.008 -4.892 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.394 -2.224 -2.766 1.00 0.00 C ATOM 0 H VAL A 60 5.251 -0.726 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 60 3.477 -0.794 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 60 2.002 -0.411 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.791 -2.129 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.391 -1.351 -5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.197 -2.981 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.496 -2.333 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.804 -3.209 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.143 -1.717 -1.834 1.00 0.00 H new ATOM 567 N ILE A 61 4.322 -3.085 -1.322 1.00 0.00 N ATOM 568 CA ILE A 61 4.842 -4.380 -0.988 1.00 0.00 C ATOM 569 C ILE A 61 3.723 -5.253 -0.501 1.00 0.00 C ATOM 570 O ILE A 61 2.954 -4.843 0.372 1.00 0.00 O ATOM 571 CB ILE A 61 5.921 -4.285 0.106 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.079 -3.451 -0.391 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.408 -5.676 0.542 1.00 0.00 C ATOM 574 CD1 ILE A 61 8.067 -3.151 0.670 1.00 0.00 C ATOM 0 H ILE A 61 3.853 -2.618 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 61 5.296 -4.806 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 61 5.479 -3.806 0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.576 -3.977 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.698 -2.516 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.169 -5.569 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.568 -6.249 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.833 -6.198 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.876 -2.550 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.581 -2.599 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.473 -4.083 1.063 1.00 0.00 H new ATOM 586 N LEU A 62 3.605 -6.414 -1.053 1.00 0.00 N ATOM 587 CA LEU A 62 2.665 -7.355 -0.558 1.00 0.00 C ATOM 588 C LEU A 62 3.457 -8.293 0.301 1.00 0.00 C ATOM 589 O LEU A 62 4.381 -8.958 -0.187 1.00 0.00 O ATOM 590 CB LEU A 62 2.036 -8.161 -1.689 1.00 0.00 C ATOM 591 CG LEU A 62 0.585 -8.644 -1.498 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.366 -9.400 -0.200 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.360 -7.490 -1.615 1.00 0.00 C ATOM 0 H LEU A 62 4.153 -6.733 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 62 1.862 -6.848 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.072 -7.555 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.661 -9.036 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 62 0.383 -9.360 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.677 -9.710 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.009 -10.280 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.609 -8.753 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.383 -7.842 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.126 -6.749 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.261 -7.037 -2.601 1.00 0.00 H new ATOM 605 N SER A 63 3.159 -8.332 1.540 1.00 0.00 N ATOM 606 CA SER A 63 3.805 -9.248 2.391 1.00 0.00 C ATOM 607 C SER A 63 3.165 -10.605 2.177 1.00 0.00 C ATOM 608 O SER A 63 1.960 -10.776 2.366 1.00 0.00 O ATOM 609 CB SER A 63 3.707 -8.766 3.814 1.00 0.00 C ATOM 610 OG SER A 63 4.357 -7.502 3.926 1.00 0.00 O ATOM 0 H SER A 63 2.466 -7.735 1.991 1.00 0.00 H new ATOM 0 HA SER A 63 4.868 -9.333 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.662 -8.678 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.170 -9.487 4.488 1.00 0.00 H new ATOM 0 HG SER A 63 4.180 -7.120 4.811 1.00 0.00 H new ATOM 616 N ARG A 64 3.947 -11.544 1.722 1.00 0.00 N ATOM 617 CA ARG A 64 3.449 -12.847 1.383 1.00 0.00 C ATOM 618 C ARG A 64 4.234 -13.874 2.136 1.00 0.00 C ATOM 619 O ARG A 64 5.457 -13.821 2.142 1.00 0.00 O ATOM 620 CB ARG A 64 3.589 -13.124 -0.125 1.00 0.00 C ATOM 621 CG ARG A 64 2.941 -12.103 -1.053 1.00 0.00 C ATOM 622 CD ARG A 64 3.114 -12.522 -2.503 1.00 0.00 C ATOM 623 NE ARG A 64 2.627 -11.518 -3.470 1.00 0.00 N ATOM 624 CZ ARG A 64 2.301 -11.801 -4.743 1.00 0.00 C ATOM 625 NH1 ARG A 64 2.251 -13.062 -5.149 1.00 0.00 N ATOM 626 NH2 ARG A 64 2.015 -10.828 -5.594 1.00 0.00 N ATOM 0 H ARG A 64 4.950 -11.427 1.576 1.00 0.00 H new ATOM 0 HA ARG A 64 2.392 -12.892 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.650 -13.184 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.158 -14.103 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.881 -12.010 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.389 -11.122 -0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.170 -12.715 -2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.583 -13.460 -2.667 1.00 0.00 H new ATOM 0 HE ARG A 64 2.532 -10.553 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.460 -13.817 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.004 -13.277 -6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.041 -9.856 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.768 -11.050 -6.559 1.00 0.00 H new ATOM 728 N GLN A 72 0.449 -12.791 3.411 1.00 0.00 N ATOM 729 CA GLN A 72 0.548 -12.746 4.867 1.00 0.00 C ATOM 730 C GLN A 72 -0.700 -12.123 5.429 1.00 0.00 C ATOM 731 O GLN A 72 -0.891 -12.061 6.639 1.00 0.00 O ATOM 732 CB GLN A 72 1.747 -11.919 5.327 1.00 0.00 C ATOM 733 CG GLN A 72 3.093 -12.598 5.248 1.00 0.00 C ATOM 734 CD GLN A 72 3.265 -13.699 6.278 1.00 0.00 C ATOM 735 OE1 GLN A 72 2.306 -14.363 6.693 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.470 -13.890 6.709 1.00 0.00 N ATOM 0 HA GLN A 72 0.673 -13.769 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.786 -11.009 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.577 -11.614 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.224 -13.018 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.877 -11.854 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.237 -13.325 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.653 -14.606 7.412 1.00 0.00 H new ATOM 745 N GLY A 73 -1.533 -11.620 4.546 1.00 0.00 N ATOM 746 CA GLY A 73 -2.747 -10.991 4.976 1.00 0.00 C ATOM 747 C GLY A 73 -2.555 -9.523 5.288 1.00 0.00 C ATOM 748 O GLY A 73 -3.484 -8.861 5.730 1.00 0.00 O ATOM 0 H GLY A 73 -1.389 -11.637 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.504 -11.099 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.124 -11.502 5.862 1.00 0.00 H new ATOM 752 N PHE A 74 -1.370 -9.009 5.051 1.00 0.00 N ATOM 753 CA PHE A 74 -1.110 -7.609 5.267 1.00 0.00 C ATOM 754 C PHE A 74 -0.194 -7.114 4.168 1.00 0.00 C ATOM 755 O PHE A 74 0.531 -7.917 3.558 1.00 0.00 O ATOM 756 CB PHE A 74 -0.512 -7.324 6.681 1.00 0.00 C ATOM 757 CG PHE A 74 0.927 -7.726 6.883 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.266 -9.015 7.239 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.942 -6.793 6.715 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.590 -9.374 7.417 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.260 -7.145 6.894 1.00 0.00 C ATOM 762 CZ PHE A 74 3.584 -8.437 7.243 1.00 0.00 C ATOM 0 H PHE A 74 -0.571 -9.543 4.708 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.055 -7.067 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.602 -6.257 6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.121 -7.842 7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.489 -9.752 7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.694 -5.778 6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.844 -10.387 7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.039 -6.409 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.618 -8.716 7.380 1.00 0.00 H new ATOM 772 N ALA A 75 -0.236 -5.840 3.893 1.00 0.00 N ATOM 773 CA ALA A 75 0.578 -5.262 2.862 1.00 0.00 C ATOM 774 C ALA A 75 0.927 -3.819 3.192 1.00 0.00 C ATOM 775 O ALA A 75 0.387 -3.233 4.146 1.00 0.00 O ATOM 776 CB ALA A 75 -0.139 -5.346 1.534 1.00 0.00 C ATOM 0 H ALA A 75 -0.836 -5.173 4.378 1.00 0.00 H new ATOM 0 HA ALA A 75 1.509 -5.825 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.484 -4.906 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.337 -6.390 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.082 -4.803 1.595 1.00 0.00 H new ATOM 782 N TYR A 76 1.803 -3.257 2.396 1.00 0.00 N ATOM 783 CA TYR A 76 2.284 -1.906 2.556 1.00 0.00 C ATOM 784 C TYR A 76 2.186 -1.163 1.240 1.00 0.00 C ATOM 785 O TYR A 76 2.462 -1.734 0.195 1.00 0.00 O ATOM 786 CB TYR A 76 3.753 -1.953 3.028 1.00 0.00 C ATOM 787 CG TYR A 76 4.585 -0.727 2.682 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.485 0.459 3.398 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.480 -0.777 1.624 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.262 1.554 3.058 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.254 0.298 1.285 1.00 0.00 C ATOM 792 CZ TYR A 76 6.149 1.461 1.998 1.00 0.00 C ATOM 793 OH TYR A 76 6.936 2.536 1.654 1.00 0.00 O ATOM 0 H TYR A 76 2.213 -3.740 1.596 1.00 0.00 H new ATOM 0 HA TYR A 76 1.677 -1.384 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.766 -2.088 4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.230 -2.831 2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.796 0.528 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.568 -1.689 1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.177 2.475 3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.945 0.229 0.458 1.00 0.00 H new ATOM 0 HH TYR A 76 6.822 3.250 2.316 1.00 0.00 H new ATOM 803 N LEU A 77 1.809 0.090 1.296 1.00 0.00 N ATOM 804 CA LEU A 77 1.767 0.933 0.128 1.00 0.00 C ATOM 805 C LEU A 77 2.035 2.360 0.568 1.00 0.00 C ATOM 806 O LEU A 77 1.618 2.758 1.651 1.00 0.00 O ATOM 807 CB LEU A 77 0.409 0.788 -0.629 1.00 0.00 C ATOM 808 CG LEU A 77 0.296 1.493 -2.006 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.740 0.806 -2.861 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.120 2.935 -1.847 1.00 0.00 C ATOM 0 H LEU A 77 1.521 0.556 2.157 1.00 0.00 H new ATOM 0 HA LEU A 77 2.535 0.629 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.213 -0.274 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.382 1.173 0.015 1.00 0.00 H new ATOM 0 HG LEU A 77 1.278 1.443 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.809 1.311 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.452 -0.234 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.708 0.844 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.191 3.404 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.090 2.981 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.620 3.463 -1.246 1.00 0.00 H new ATOM 822 N LYS A 78 2.787 3.093 -0.214 1.00 0.00 N ATOM 823 CA LYS A 78 3.059 4.467 0.091 1.00 0.00 C ATOM 824 C LYS A 78 2.668 5.340 -1.084 1.00 0.00 C ATOM 825 O LYS A 78 2.802 4.935 -2.261 1.00 0.00 O ATOM 826 CB LYS A 78 4.520 4.734 0.484 1.00 0.00 C ATOM 827 CG LYS A 78 5.523 4.555 -0.630 1.00 0.00 C ATOM 828 CD LYS A 78 6.821 5.322 -0.366 1.00 0.00 C ATOM 829 CE LYS A 78 6.560 6.836 -0.286 1.00 0.00 C ATOM 830 NZ LYS A 78 7.795 7.645 -0.203 1.00 0.00 N ATOM 0 H LYS A 78 3.223 2.754 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 78 2.458 4.716 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.598 5.753 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.788 4.068 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.747 3.495 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.086 4.895 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.269 4.977 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.538 5.114 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.991 7.145 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.940 7.044 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.547 8.654 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.329 7.377 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.379 7.475 -1.047 1.00 0.00 H new ATOM 844 N TYR A 79 2.180 6.502 -0.788 1.00 0.00 N ATOM 845 CA TYR A 79 1.721 7.418 -1.805 1.00 0.00 C ATOM 846 C TYR A 79 2.685 8.545 -2.034 1.00 0.00 C ATOM 847 O TYR A 79 3.604 8.788 -1.235 1.00 0.00 O ATOM 848 CB TYR A 79 0.377 8.012 -1.450 1.00 0.00 C ATOM 849 CG TYR A 79 -0.759 7.052 -1.460 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.952 6.177 -0.420 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.658 7.042 -2.504 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.003 5.315 -0.411 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.724 6.193 -2.503 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.892 5.331 -1.456 1.00 0.00 C ATOM 855 OH TYR A 79 -3.949 4.497 -1.445 1.00 0.00 O ATOM 0 H TYR A 79 2.085 6.852 0.165 1.00 0.00 H new ATOM 0 HA TYR A 79 1.638 6.827 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.445 8.460 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.157 8.818 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.256 6.173 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.516 7.717 -3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.137 4.625 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.429 6.201 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.744 3.716 -0.889 1.00 0.00 H new ATOM 865 N GLU A 80 2.476 9.219 -3.141 1.00 0.00 N ATOM 866 CA GLU A 80 3.230 10.389 -3.499 1.00 0.00 C ATOM 867 C GLU A 80 2.749 11.584 -2.658 1.00 0.00 C ATOM 868 O GLU A 80 3.535 12.475 -2.318 1.00 0.00 O ATOM 869 CB GLU A 80 3.061 10.676 -4.994 1.00 0.00 C ATOM 870 CG GLU A 80 3.940 11.792 -5.519 1.00 0.00 C ATOM 871 CD GLU A 80 3.763 12.020 -6.993 1.00 0.00 C ATOM 872 OE1 GLU A 80 2.901 12.833 -7.379 1.00 0.00 O ATOM 873 OE2 GLU A 80 4.496 11.413 -7.794 1.00 0.00 O ATOM 0 H GLU A 80 1.765 8.962 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 80 4.288 10.221 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.277 9.766 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.019 10.929 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.711 12.713 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.984 11.554 -5.314 1.00 0.00 H new ATOM 880 N ASP A 81 1.470 11.576 -2.294 1.00 0.00 N ATOM 881 CA ASP A 81 0.881 12.656 -1.500 1.00 0.00 C ATOM 882 C ASP A 81 0.306 12.056 -0.219 1.00 0.00 C ATOM 883 O ASP A 81 -0.364 11.025 -0.264 1.00 0.00 O ATOM 884 CB ASP A 81 -0.236 13.369 -2.290 1.00 0.00 C ATOM 885 CG ASP A 81 -0.654 14.709 -1.685 1.00 0.00 C ATOM 886 OD1 ASP A 81 -1.271 14.747 -0.608 1.00 0.00 O ATOM 887 OD2 ASP A 81 -0.374 15.770 -2.310 1.00 0.00 O ATOM 0 H ASP A 81 0.817 10.831 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 81 1.650 13.392 -1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.101 13.532 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.107 12.716 -2.341 1.00 0.00 H new ATOM 892 N GLN A 82 0.592 12.671 0.900 1.00 0.00 N ATOM 893 CA GLN A 82 0.157 12.196 2.210 1.00 0.00 C ATOM 894 C GLN A 82 -1.349 12.330 2.460 1.00 0.00 C ATOM 895 O GLN A 82 -1.892 11.682 3.333 1.00 0.00 O ATOM 896 CB GLN A 82 1.026 12.770 3.317 1.00 0.00 C ATOM 897 CG GLN A 82 2.420 12.169 3.286 1.00 0.00 C ATOM 898 CD GLN A 82 3.434 12.901 4.117 1.00 0.00 C ATOM 899 OE1 GLN A 82 3.365 14.110 4.293 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.404 12.187 4.617 1.00 0.00 N ATOM 0 H GLN A 82 1.141 13.530 0.939 1.00 0.00 H new ATOM 0 HA GLN A 82 0.311 11.117 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.091 13.853 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.564 12.574 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.364 11.136 3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.767 12.142 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.434 11.181 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.133 12.635 5.173 1.00 0.00 H new ATOM 909 N ARG A 83 -2.010 13.178 1.713 1.00 0.00 N ATOM 910 CA ARG A 83 -3.472 13.295 1.779 1.00 0.00 C ATOM 911 C ARG A 83 -4.119 12.004 1.281 1.00 0.00 C ATOM 912 O ARG A 83 -5.200 11.616 1.692 1.00 0.00 O ATOM 913 CB ARG A 83 -3.970 14.497 1.005 1.00 0.00 C ATOM 914 CG ARG A 83 -3.565 15.824 1.612 1.00 0.00 C ATOM 915 CD ARG A 83 -3.891 16.965 0.679 1.00 0.00 C ATOM 916 NE ARG A 83 -3.140 16.853 -0.576 1.00 0.00 N ATOM 917 CZ ARG A 83 -3.352 17.587 -1.668 1.00 0.00 C ATOM 918 NH1 ARG A 83 -4.355 18.463 -1.708 1.00 0.00 N ATOM 919 NH2 ARG A 83 -2.560 17.433 -2.721 1.00 0.00 N ATOM 0 H ARG A 83 -1.569 13.808 1.043 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.759 13.449 2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.590 14.444 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.057 14.453 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.081 15.967 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.496 15.819 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.960 16.971 0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.656 17.913 1.163 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.395 16.157 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.967 18.575 -0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.511 19.021 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.797 16.757 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.715 17.990 -3.561 1.00 0.00 H new ATOM 933 N SER A 84 -3.473 11.397 0.347 1.00 0.00 N ATOM 934 CA SER A 84 -3.905 10.161 -0.233 1.00 0.00 C ATOM 935 C SER A 84 -3.936 9.004 0.777 1.00 0.00 C ATOM 936 O SER A 84 -4.818 8.141 0.697 1.00 0.00 O ATOM 937 CB SER A 84 -3.056 9.835 -1.423 1.00 0.00 C ATOM 938 OG SER A 84 -3.189 10.833 -2.396 1.00 0.00 O ATOM 0 H SER A 84 -2.603 11.753 -0.050 1.00 0.00 H new ATOM 0 HA SER A 84 -4.937 10.292 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.012 9.747 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.351 8.871 -1.837 1.00 0.00 H new ATOM 0 HG SER A 84 -4.123 11.128 -2.437 1.00 0.00 H new ATOM 944 N THR A 85 -2.975 8.962 1.706 1.00 0.00 N ATOM 945 CA THR A 85 -2.922 7.861 2.656 1.00 0.00 C ATOM 946 C THR A 85 -4.158 7.860 3.554 1.00 0.00 C ATOM 947 O THR A 85 -4.814 6.837 3.702 1.00 0.00 O ATOM 948 CB THR A 85 -1.638 7.911 3.517 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.566 9.140 4.228 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.416 7.788 2.648 1.00 0.00 C ATOM 0 H THR A 85 -2.242 9.663 1.815 1.00 0.00 H new ATOM 0 HA THR A 85 -2.904 6.936 2.079 1.00 0.00 H new ATOM 0 HB THR A 85 -1.674 7.079 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.619 9.887 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.478 7.825 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.445 6.840 2.111 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.394 8.610 1.932 1.00 0.00 H new ATOM 958 N ILE A 86 -4.518 9.036 4.060 1.00 0.00 N ATOM 959 CA ILE A 86 -5.705 9.202 4.897 1.00 0.00 C ATOM 960 C ILE A 86 -6.969 8.911 4.106 1.00 0.00 C ATOM 961 O ILE A 86 -7.873 8.260 4.611 1.00 0.00 O ATOM 962 CB ILE A 86 -5.764 10.595 5.589 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.584 11.707 4.565 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.727 10.692 6.687 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.378 13.078 5.131 1.00 0.00 C ATOM 0 H ILE A 86 -3.998 9.899 3.903 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.633 8.470 5.702 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.746 10.712 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.730 11.461 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.462 11.728 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.786 11.674 7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.914 9.920 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.733 10.552 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.261 13.794 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.241 13.355 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.482 13.085 5.752 1.00 0.00 H new ATOM 977 N LEU A 87 -6.980 9.344 2.836 1.00 0.00 N ATOM 978 CA LEU A 87 -8.101 9.105 1.916 1.00 0.00 C ATOM 979 C LEU A 87 -8.354 7.630 1.759 1.00 0.00 C ATOM 980 O LEU A 87 -9.506 7.169 1.765 1.00 0.00 O ATOM 981 CB LEU A 87 -7.729 9.629 0.537 1.00 0.00 C ATOM 982 CG LEU A 87 -8.195 11.005 0.148 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.449 11.433 -1.096 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.675 10.951 -0.152 1.00 0.00 C ATOM 0 H LEU A 87 -6.212 9.870 2.419 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.983 9.602 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.642 9.611 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.115 8.926 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.008 11.712 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.776 12.430 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.379 11.448 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.654 10.730 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.025 11.944 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.855 10.255 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.214 10.616 0.734 1.00 0.00 H new ATOM 996 N ALA A 88 -7.283 6.896 1.614 1.00 0.00 N ATOM 997 CA ALA A 88 -7.367 5.486 1.465 1.00 0.00 C ATOM 998 C ALA A 88 -7.755 4.831 2.775 1.00 0.00 C ATOM 999 O ALA A 88 -8.628 3.996 2.803 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.079 4.928 0.867 1.00 0.00 C ATOM 0 H ALA A 88 -6.333 7.268 1.597 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.161 5.247 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.165 3.847 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.909 5.375 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.241 5.163 1.524 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.151 5.267 3.865 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.447 4.707 5.176 1.00 0.00 C ATOM 1008 C VAL A 89 -8.930 4.853 5.548 1.00 0.00 C ATOM 1009 O VAL A 89 -9.576 3.875 5.867 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.551 5.322 6.305 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.009 4.852 7.682 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.098 4.929 6.108 1.00 0.00 C ATOM 0 H VAL A 89 -6.451 6.009 3.871 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.215 3.645 5.100 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.647 6.406 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.371 5.293 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.041 5.161 7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.943 3.765 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.492 5.366 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.007 3.843 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.750 5.296 5.142 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.472 6.041 5.396 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.837 6.333 5.874 1.00 0.00 C ATOM 1024 C ASP A 90 -11.907 5.654 5.046 1.00 0.00 C ATOM 1025 O ASP A 90 -13.003 5.349 5.544 1.00 0.00 O ATOM 1026 CB ASP A 90 -11.126 7.849 5.973 1.00 0.00 C ATOM 1027 CG ASP A 90 -11.414 8.579 4.650 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.600 8.668 4.241 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -10.508 9.157 4.060 1.00 0.00 O ATOM 0 H ASP A 90 -9.003 6.829 4.949 1.00 0.00 H new ATOM 0 HA ASP A 90 -10.876 5.917 6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.981 7.991 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.271 8.329 6.449 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.598 5.419 3.810 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.551 4.824 2.888 1.00 0.00 C ATOM 1036 C ASN A 91 -12.375 3.304 2.750 1.00 0.00 C ATOM 1037 O ASN A 91 -13.321 2.581 2.448 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.456 5.520 1.534 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.484 5.051 0.530 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -13.120 4.130 -0.291 1.00 0.00 O flip ATOM 1041 ND2 ASN A 91 -14.604 5.561 0.477 1.00 0.00 N flip ATOM 0 H ASN A 91 -10.688 5.628 3.400 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.549 4.972 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.569 6.594 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.460 5.357 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.865 6.290 1.142 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.271 5.255 -0.231 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.188 2.823 3.000 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.902 1.399 2.858 1.00 0.00 C ATOM 1050 C LEU A 92 -11.035 0.675 4.175 1.00 0.00 C ATOM 1051 O LEU A 92 -11.229 -0.543 4.209 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.518 1.195 2.276 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.387 1.330 0.774 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.966 1.707 0.421 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.729 0.005 0.125 1.00 0.00 C ATOM 0 H LEU A 92 -10.394 3.387 3.304 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.637 0.977 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.843 1.913 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.172 0.201 2.560 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.066 2.104 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.873 1.804 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.713 2.656 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.285 0.933 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.637 0.095 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.045 -0.764 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.752 -0.272 0.380 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.915 1.408 5.267 1.00 0.00 N ATOM 1068 CA ASN A 93 -11.083 0.818 6.581 1.00 0.00 C ATOM 1069 C ASN A 93 -12.525 0.354 6.725 1.00 0.00 C ATOM 1070 O ASN A 93 -13.457 1.143 6.525 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.788 1.876 7.654 1.00 0.00 C ATOM 1072 CG ASN A 93 -11.007 1.392 9.084 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -12.125 1.438 9.607 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -9.947 0.999 9.755 1.00 0.00 N ATOM 0 H ASN A 93 -10.703 2.406 5.270 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.402 -0.024 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.755 2.207 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.421 2.745 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.036 0.722 10.733 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.036 0.971 9.298 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.709 -0.909 7.047 1.00 0.00 N ATOM 1082 CA GLY A 94 -14.040 -1.435 7.259 1.00 0.00 C ATOM 1083 C GLY A 94 -14.752 -1.803 5.963 1.00 0.00 C ATOM 1084 O GLY A 94 -15.897 -2.285 5.992 1.00 0.00 O ATOM 0 H GLY A 94 -11.957 -1.588 7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.978 -2.318 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.635 -0.696 7.796 1.00 0.00 H new ATOM 1088 N PHE A 95 -14.092 -1.583 4.835 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.676 -1.867 3.540 1.00 0.00 C ATOM 1090 C PHE A 95 -14.436 -3.336 3.209 1.00 0.00 C ATOM 1091 O PHE A 95 -13.393 -3.892 3.566 1.00 0.00 O ATOM 1092 CB PHE A 95 -14.063 -0.943 2.468 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.727 -1.029 1.120 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.865 -0.295 0.854 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -14.220 -1.847 0.130 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.485 -0.376 -0.373 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.838 -1.935 -1.098 1.00 0.00 C ATOM 1098 CZ PHE A 95 -15.971 -1.198 -1.351 1.00 0.00 C ATOM 0 H PHE A 95 -13.145 -1.206 4.795 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.749 -1.678 3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.116 0.087 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -13.007 -1.188 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.274 0.351 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -13.328 -2.425 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.374 0.205 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -14.433 -2.582 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.456 -1.264 -2.314 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.386 -3.969 2.558 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.277 -5.376 2.272 1.00 0.00 C ATOM 1110 C LYS A 96 -14.820 -5.647 0.846 1.00 0.00 C ATOM 1111 O LYS A 96 -15.478 -5.257 -0.125 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.591 -6.142 2.569 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.985 -6.257 4.055 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.437 -4.935 4.666 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.753 -5.095 6.144 1.00 0.00 C ATOM 1116 NZ LYS A 96 -18.195 -3.828 6.764 1.00 0.00 N ATOM 0 H LYS A 96 -16.241 -3.529 2.218 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.508 -5.752 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.404 -5.650 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.503 -7.148 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.787 -6.988 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.134 -6.638 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.656 -4.185 4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.319 -4.570 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.531 -5.848 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.869 -5.462 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.334 -3.971 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.472 -3.096 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.091 -3.524 6.332 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.689 -6.294 0.724 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.182 -6.746 -0.554 1.00 0.00 C ATOM 1132 C ILE A 97 -12.883 -8.221 -0.382 1.00 0.00 C ATOM 1133 O ILE A 97 -12.408 -8.620 0.679 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.873 -5.978 -0.950 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -12.149 -4.474 -1.045 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.295 -6.495 -2.265 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.958 -3.630 -1.444 1.00 0.00 C ATOM 0 H ILE A 97 -13.086 -6.526 1.514 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.908 -6.563 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.133 -6.156 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.949 -4.311 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.516 -4.125 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.389 -5.940 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.056 -7.554 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.027 -6.361 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.252 -2.581 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -10.161 -3.755 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.601 -3.945 -2.425 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.157 -9.030 -1.392 1.00 0.00 N ATOM 1150 CA GLY A 98 -12.950 -10.469 -1.283 1.00 0.00 C ATOM 1151 C GLY A 98 -13.794 -11.093 -0.185 1.00 0.00 C ATOM 1152 O GLY A 98 -13.492 -12.180 0.305 1.00 0.00 O ATOM 0 H GLY A 98 -13.521 -8.720 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.191 -10.941 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.897 -10.668 -1.086 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.843 -10.389 0.206 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.707 -10.833 1.263 1.00 0.00 C ATOM 1158 C GLY A 99 -15.126 -10.599 2.652 1.00 0.00 C ATOM 1159 O GLY A 99 -15.701 -11.030 3.645 1.00 0.00 O ATOM 0 H GLY A 99 -15.111 -9.495 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.663 -10.315 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.909 -11.896 1.135 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.016 -9.905 2.736 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.385 -9.640 4.013 1.00 0.00 C ATOM 1165 C ARG A 100 -13.188 -8.144 4.207 1.00 0.00 C ATOM 1166 O ARG A 100 -13.018 -7.406 3.236 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.077 -10.451 4.180 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.063 -10.292 3.055 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.840 -11.178 3.269 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.163 -12.622 3.287 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.285 -13.608 3.574 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.015 -13.326 3.826 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.684 -14.877 3.587 1.00 0.00 N ATOM 0 H ARG A 100 -13.527 -9.511 1.933 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.048 -9.980 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.604 -10.157 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.333 -11.507 4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.532 -10.543 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.751 -9.250 2.991 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.116 -10.984 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.363 -10.907 4.211 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.121 -12.894 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.693 -12.358 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.359 -14.077 4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.656 -15.108 3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.018 -15.619 3.804 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.258 -7.698 5.437 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.180 -6.283 5.737 1.00 0.00 C ATOM 1189 C ALA A 101 -11.752 -5.831 5.913 1.00 0.00 C ATOM 1190 O ALA A 101 -11.064 -6.266 6.840 1.00 0.00 O ATOM 1191 CB ALA A 101 -13.995 -5.953 6.971 1.00 0.00 C ATOM 0 H ALA A 101 -13.370 -8.297 6.255 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.597 -5.744 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.923 -4.886 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.038 -6.220 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.611 -6.515 7.822 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.320 -4.957 5.038 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.984 -4.422 5.073 1.00 0.00 C ATOM 1199 C LEU A 102 -9.719 -3.578 6.286 1.00 0.00 C ATOM 1200 O LEU A 102 -10.609 -2.866 6.803 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.662 -3.622 3.817 1.00 0.00 C ATOM 1202 CG LEU A 102 -9.059 -4.399 2.660 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.898 -3.489 1.463 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.703 -4.931 3.076 1.00 0.00 C ATOM 0 H LEU A 102 -11.892 -4.595 4.275 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.328 -5.291 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.580 -3.148 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.973 -2.822 4.088 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.716 -5.227 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.465 -4.050 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.873 -3.100 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.240 -2.660 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.263 -5.491 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.050 -4.098 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.819 -5.587 3.938 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.515 -3.667 6.758 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.083 -2.873 7.848 1.00 0.00 C ATOM 1218 C LYS A 103 -6.946 -2.017 7.382 1.00 0.00 C ATOM 1219 O LYS A 103 -5.924 -2.516 7.007 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.672 -3.758 9.043 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.125 -3.025 10.284 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.148 -2.076 10.898 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.690 -1.539 12.262 1.00 0.00 C ATOM 1224 NZ LYS A 103 -6.429 -0.777 12.195 1.00 0.00 N ATOM 0 H LYS A 103 -7.805 -4.300 6.390 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.898 -2.237 8.194 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.539 -4.345 9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.914 -4.463 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.820 -3.758 11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.233 -2.463 10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.321 -1.241 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.100 -2.595 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.471 -0.900 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.565 -2.375 12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.262 -0.302 13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.642 -1.426 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.493 -0.065 11.439 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.134 -0.740 7.375 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.070 0.140 6.973 1.00 0.00 C ATOM 1240 C ILE A 104 -5.713 0.931 8.189 1.00 0.00 C ATOM 1241 O ILE A 104 -6.612 1.386 8.905 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.481 1.126 5.855 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.467 0.487 4.869 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.233 1.579 5.095 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.942 -0.704 4.100 1.00 0.00 C ATOM 0 H ILE A 104 -8.004 -0.278 7.639 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.248 -0.455 6.576 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.974 1.978 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.355 0.178 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.783 1.247 4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.520 2.274 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.548 2.074 5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.741 0.712 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.719 -1.078 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.073 -0.404 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.655 -1.490 4.798 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.458 1.063 8.457 1.00 0.00 N ATOM 1258 CA ASP A 105 -4.004 1.735 9.648 1.00 0.00 C ATOM 1259 C ASP A 105 -2.755 2.509 9.305 1.00 0.00 C ATOM 1260 O ASP A 105 -2.045 2.141 8.366 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.682 0.670 10.696 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.513 1.191 12.103 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -2.413 1.608 12.482 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -4.486 1.142 12.872 1.00 0.00 O ATOM 0 H ASP A 105 -3.709 0.711 7.861 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.762 2.416 10.034 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.479 -0.074 10.693 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.766 0.157 10.402 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.503 3.571 10.001 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.296 4.339 9.770 1.00 0.00 C ATOM 1271 C HIS A 106 -0.144 3.720 10.521 1.00 0.00 C ATOM 1272 O HIS A 106 -0.243 3.444 11.714 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.454 5.808 10.174 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.299 6.631 9.252 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -1.780 7.504 8.321 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.645 6.735 9.153 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -2.799 8.103 7.700 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -3.960 7.667 8.171 1.00 0.00 N ATOM 0 H HIS A 106 -3.109 3.936 10.736 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.096 4.317 8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.887 5.850 11.173 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.464 6.260 10.236 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -0.790 7.665 8.138 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.360 6.182 9.743 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.692 8.842 6.920 1.00 0.00 H new ATOM 1286 N THR A 107 0.935 3.519 9.842 1.00 0.00 N ATOM 1287 CA THR A 107 2.083 2.922 10.428 1.00 0.00 C ATOM 1288 C THR A 107 3.283 3.544 9.748 1.00 0.00 C ATOM 1289 O THR A 107 3.128 4.197 8.705 1.00 0.00 O ATOM 1290 CB THR A 107 2.088 1.361 10.191 1.00 0.00 C ATOM 1291 OG1 THR A 107 3.055 0.719 11.042 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.432 1.028 8.733 1.00 0.00 C ATOM 0 H THR A 107 1.044 3.767 8.859 1.00 0.00 H new ATOM 0 HA THR A 107 2.096 3.089 11.505 1.00 0.00 H new ATOM 0 HB THR A 107 1.088 0.996 10.425 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.041 -0.248 10.881 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.429 -0.053 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.692 1.479 8.072 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.420 1.421 8.493 1.00 0.00 H new ATOM 1300 N PHE A 108 4.437 3.414 10.320 1.00 0.00 N ATOM 1301 CA PHE A 108 5.602 3.833 9.625 1.00 0.00 C ATOM 1302 C PHE A 108 6.358 2.578 9.267 1.00 0.00 C ATOM 1303 O PHE A 108 6.857 1.869 10.145 1.00 0.00 O ATOM 1304 CB PHE A 108 6.444 4.769 10.494 1.00 0.00 C ATOM 1305 CG PHE A 108 5.656 5.927 11.044 1.00 0.00 C ATOM 1306 CD1 PHE A 108 5.119 6.882 10.202 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.449 6.052 12.401 1.00 0.00 C ATOM 1308 CE1 PHE A 108 4.389 7.940 10.704 1.00 0.00 C ATOM 1309 CE2 PHE A 108 4.724 7.107 12.910 1.00 0.00 C ATOM 1310 CZ PHE A 108 4.191 8.053 12.059 1.00 0.00 C ATOM 0 H PHE A 108 4.593 3.027 11.251 1.00 0.00 H new ATOM 0 HA PHE A 108 5.349 4.397 8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.871 4.202 11.321 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.278 5.151 9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.273 6.799 9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.860 5.314 13.073 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.974 8.678 10.033 1.00 0.00 H new ATOM 0 HE2 PHE A 108 4.573 7.194 13.976 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.620 8.879 12.456 1.00 0.00 H new ATOM 1320 N TYR A 109 6.399 2.277 8.009 1.00 0.00 N ATOM 1321 CA TYR A 109 7.022 1.066 7.537 1.00 0.00 C ATOM 1322 C TYR A 109 8.338 1.347 6.831 1.00 0.00 C ATOM 1323 O TYR A 109 8.454 2.325 6.094 1.00 0.00 O ATOM 1324 CB TYR A 109 6.041 0.316 6.620 1.00 0.00 C ATOM 1325 CG TYR A 109 6.503 -1.047 6.124 1.00 0.00 C ATOM 1326 CD1 TYR A 109 6.258 -2.195 6.861 1.00 0.00 C ATOM 1327 CD2 TYR A 109 7.159 -1.182 4.913 1.00 0.00 C ATOM 1328 CE1 TYR A 109 6.659 -3.438 6.403 1.00 0.00 C ATOM 1329 CE2 TYR A 109 7.554 -2.410 4.446 1.00 0.00 C ATOM 1330 CZ TYR A 109 7.305 -3.539 5.190 1.00 0.00 C ATOM 1331 OH TYR A 109 7.704 -4.778 4.718 1.00 0.00 O ATOM 0 H TYR A 109 6.003 2.860 7.272 1.00 0.00 H new ATOM 0 HA TYR A 109 7.261 0.437 8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.100 0.186 7.155 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.831 0.944 5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.746 -2.118 7.809 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.365 -0.301 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.467 -4.323 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.060 -2.490 3.495 1.00 0.00 H new ATOM 0 HH TYR A 109 8.144 -4.671 3.849 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.175 14.758 -4.907 1.00 0.00 N ATOM 1498 CA ILE B 226 -5.871 14.313 -5.316 1.00 0.00 C ATOM 1499 C ILE B 226 -6.008 13.490 -6.588 1.00 0.00 C ATOM 1500 O ILE B 226 -6.941 12.685 -6.711 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.127 13.491 -4.193 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.750 14.367 -2.990 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -3.901 12.783 -4.709 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.855 14.589 -2.003 1.00 0.00 C ATOM 0 HA ILE B 226 -5.256 15.193 -5.503 1.00 0.00 H new ATOM 0 HB ILE B 226 -5.841 12.736 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -3.908 13.907 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.409 15.335 -3.356 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.429 12.233 -3.895 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.187 12.088 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.199 13.515 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.495 15.218 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.692 15.080 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.183 13.630 -1.602 1.00 0.00 H new ATOM 1516 N MET B 227 -5.108 13.712 -7.530 1.00 0.00 N ATOM 1517 CA MET B 227 -5.123 13.014 -8.805 1.00 0.00 C ATOM 1518 C MET B 227 -4.945 11.505 -8.621 1.00 0.00 C ATOM 1519 O MET B 227 -4.105 11.063 -7.835 1.00 0.00 O ATOM 1520 CB MET B 227 -4.052 13.569 -9.752 1.00 0.00 C ATOM 1521 CG MET B 227 -4.306 14.996 -10.208 1.00 0.00 C ATOM 1522 SD MET B 227 -3.007 15.631 -11.294 1.00 0.00 S ATOM 1523 CE MET B 227 -3.672 17.250 -11.695 1.00 0.00 C ATOM 0 H MET B 227 -4.345 14.382 -7.433 1.00 0.00 H new ATOM 0 HA MET B 227 -6.101 13.185 -9.255 1.00 0.00 H new ATOM 0 HB2 MET B 227 -3.084 13.525 -9.253 1.00 0.00 H new ATOM 0 HB3 MET B 227 -3.989 12.925 -10.629 1.00 0.00 H new ATOM 0 HG2 MET B 227 -5.262 15.040 -10.729 1.00 0.00 H new ATOM 0 HG3 MET B 227 -4.389 15.642 -9.334 1.00 0.00 H new ATOM 0 HE1 MET B 227 -2.984 17.771 -12.361 1.00 0.00 H new ATOM 0 HE2 MET B 227 -4.637 17.135 -12.188 1.00 0.00 H new ATOM 0 HE3 MET B 227 -3.799 17.828 -10.780 1.00 0.00 H new ATOM 1533 N PRO B 228 -5.771 10.707 -9.312 1.00 0.00 N ATOM 1534 CA PRO B 228 -5.718 9.247 -9.240 1.00 0.00 C ATOM 1535 C PRO B 228 -4.493 8.662 -9.959 1.00 0.00 C ATOM 1536 O PRO B 228 -4.108 9.128 -11.054 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.007 8.808 -9.944 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.314 9.917 -10.888 1.00 0.00 C ATOM 1539 CD PRO B 228 -6.843 11.173 -10.216 1.00 0.00 C ATOM 0 HA PRO B 228 -5.634 8.898 -8.211 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.869 7.864 -10.472 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.817 8.659 -9.231 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -6.806 9.770 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.382 9.965 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -6.470 11.898 -10.939 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -7.649 11.658 -9.665 1.00 0.00 H new ATOM 1547 N GLY B 229 -3.909 7.649 -9.354 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.737 6.989 -9.892 1.00 0.00 C ATOM 1549 C GLY B 229 -3.001 6.264 -11.198 1.00 0.00 C ATOM 1550 O GLY B 229 -4.152 5.962 -11.541 1.00 0.00 O ATOM 0 H GLY B 229 -4.235 7.258 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -1.952 7.729 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.362 6.276 -9.158 1.00 0.00 H new ATOM 1554 N SER B 230 -1.938 5.934 -11.888 1.00 0.00 N ATOM 1555 CA SER B 230 -1.999 5.326 -13.210 1.00 0.00 C ATOM 1556 C SER B 230 -2.474 3.869 -13.161 1.00 0.00 C ATOM 1557 O SER B 230 -2.932 3.325 -14.157 1.00 0.00 O ATOM 1558 CB SER B 230 -0.620 5.402 -13.844 1.00 0.00 C ATOM 1559 OG SER B 230 -0.119 6.730 -13.767 1.00 0.00 O ATOM 0 H SER B 230 -0.987 6.079 -11.549 1.00 0.00 H new ATOM 0 HA SER B 230 -2.728 5.876 -13.805 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.060 4.718 -13.336 1.00 0.00 H new ATOM 0 HB3 SER B 230 -0.672 5.085 -14.885 1.00 0.00 H new ATOM 0 HG SER B 230 0.771 6.768 -14.177 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.403 3.261 -11.990 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.780 1.858 -11.826 1.00 0.00 C ATOM 1567 C ARG B 231 -4.283 1.709 -11.674 1.00 0.00 C ATOM 1568 O ARG B 231 -4.797 0.605 -11.564 1.00 0.00 O ATOM 1569 CB ARG B 231 -2.079 1.260 -10.612 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.567 1.265 -10.703 1.00 0.00 C ATOM 1571 CD ARG B 231 -0.061 0.361 -11.826 1.00 0.00 C ATOM 1572 NE ARG B 231 -0.596 -1.010 -11.718 1.00 0.00 N ATOM 1573 CZ ARG B 231 0.124 -2.138 -11.602 1.00 0.00 C ATOM 1574 NH1 ARG B 231 1.450 -2.094 -11.480 1.00 0.00 N ATOM 1575 NH2 ARG B 231 -0.495 -3.312 -11.590 1.00 0.00 N ATOM 0 H ARG B 231 -2.087 3.714 -11.133 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.469 1.322 -12.723 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.380 1.814 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.420 0.233 -10.478 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.217 2.283 -10.871 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.145 0.935 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.345 0.786 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG B 231 1.028 0.328 -11.801 1.00 0.00 H new ATOM 0 HE ARG B 231 -1.611 -1.111 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG B 231 1.932 -1.195 -11.474 1.00 0.00 H new ATOM 0 HH12 ARG B 231 1.983 -2.959 -11.393 1.00 0.00 H new ATOM 0 HH21 ARG B 231 -1.511 -3.354 -11.669 1.00 0.00 H new ATOM 0 HH22 ARG B 231 0.045 -4.173 -11.502 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.960 2.821 -11.643 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.385 2.852 -11.512 1.00 0.00 C ATOM 1591 C TRP B 232 -7.066 2.394 -12.776 1.00 0.00 C ATOM 1592 O TRP B 232 -6.827 2.901 -13.879 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.888 4.247 -11.078 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.374 4.330 -10.845 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.140 3.458 -10.131 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.267 5.356 -11.299 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.444 3.857 -10.129 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.552 5.022 -10.831 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.106 6.519 -12.056 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.665 5.801 -11.095 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.217 7.297 -12.318 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.482 6.936 -11.838 1.00 0.00 C ATOM 0 H TRP B 232 -4.530 3.743 -11.709 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.650 2.150 -10.722 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.373 4.537 -10.162 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.612 4.973 -11.843 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.766 2.574 -9.636 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.214 3.364 -9.676 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.133 6.804 -12.429 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.642 5.524 -10.728 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.108 8.199 -12.903 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.331 7.566 -12.059 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.859 1.413 -12.585 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.754 0.879 -13.545 1.00 0.00 C ATOM 1615 C ASP B 233 -10.052 1.230 -12.948 1.00 0.00 C ATOM 1616 O ASP B 233 -10.106 1.265 -11.749 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.630 -0.654 -13.622 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.606 -1.293 -14.602 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -10.803 -1.465 -14.270 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -9.187 -1.660 -15.711 1.00 0.00 O ATOM 0 H ASP B 233 -7.907 0.924 -11.691 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.588 1.251 -14.556 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.612 -0.914 -13.913 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.795 -1.074 -12.630 1.00 0.00 H new ATOM 1625 N GLY B 234 -11.023 1.554 -13.764 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.405 1.967 -13.403 1.00 0.00 C ATOM 1627 C GLY B 234 -13.118 1.083 -12.392 1.00 0.00 C ATOM 1628 O GLY B 234 -14.154 0.457 -12.669 1.00 0.00 O ATOM 0 H GLY B 234 -10.885 1.544 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.369 2.982 -13.008 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -13.003 2.001 -14.314 1.00 0.00 H new ATOM 1714 N GLY B 240 -19.628 3.948 1.425 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.813 4.709 1.629 1.00 0.00 C ATOM 1716 C GLY B 240 -22.012 3.854 1.389 1.00 0.00 C ATOM 1717 O GLY B 240 -23.014 4.311 0.908 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.833 5.102 2.646 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.826 5.566 0.956 1.00 0.00 H new ATOM 1721 N PHE B 241 -21.865 2.600 1.668 1.00 0.00 N ATOM 1722 CA PHE B 241 -22.911 1.613 1.510 1.00 0.00 C ATOM 1723 C PHE B 241 -23.961 1.693 2.626 1.00 0.00 C ATOM 1724 O PHE B 241 -25.157 1.574 2.363 1.00 0.00 O ATOM 1725 CB PHE B 241 -22.311 0.190 1.364 1.00 0.00 C ATOM 1726 CG PHE B 241 -21.237 -0.174 2.383 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -21.566 -0.764 3.588 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -19.896 0.075 2.117 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -20.591 -1.098 4.507 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -18.918 -0.256 3.035 1.00 0.00 C ATOM 1731 CZ PHE B 241 -19.267 -0.843 4.230 1.00 0.00 C ATOM 0 H PHE B 241 -20.992 2.211 2.024 1.00 0.00 H new ATOM 0 HA PHE B 241 -23.441 1.841 0.585 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -23.120 -0.537 1.439 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -21.887 0.093 0.364 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -22.602 -0.967 3.815 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -19.615 0.533 1.180 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -20.867 -1.559 5.444 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -17.880 -0.054 2.815 1.00 0.00 H new ATOM 0 HZ PHE B 241 -18.504 -1.103 4.949 1.00 0.00 H new ATOM 1741 N GLU B 242 -23.511 1.958 3.853 1.00 0.00 N ATOM 1742 CA GLU B 242 -24.400 2.018 5.020 1.00 0.00 C ATOM 1743 C GLU B 242 -25.456 3.106 4.856 1.00 0.00 C ATOM 1744 O GLU B 242 -26.645 2.883 5.142 1.00 0.00 O ATOM 1745 CB GLU B 242 -23.607 2.246 6.317 1.00 0.00 C ATOM 1746 CG GLU B 242 -22.586 1.166 6.623 1.00 0.00 C ATOM 1747 CD GLU B 242 -21.856 1.399 7.923 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -20.858 2.149 7.947 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -22.254 0.804 8.956 1.00 0.00 O ATOM 0 H GLU B 242 -22.530 2.136 4.068 1.00 0.00 H new ATOM 0 HA GLU B 242 -24.904 1.054 5.089 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -23.095 3.206 6.252 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -24.307 2.314 7.150 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -23.088 0.199 6.662 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -21.862 1.116 5.810 1.00 0.00 H new ATOM 1756 N GLU B 243 -25.025 4.261 4.360 1.00 0.00 N ATOM 1757 CA GLU B 243 -25.913 5.399 4.141 1.00 0.00 C ATOM 1758 C GLU B 243 -27.007 5.068 3.126 1.00 0.00 C ATOM 1759 O GLU B 243 -28.118 5.534 3.251 1.00 0.00 O ATOM 1760 CB GLU B 243 -25.141 6.642 3.680 1.00 0.00 C ATOM 1761 CG GLU B 243 -24.358 6.418 2.415 1.00 0.00 C ATOM 1762 CD GLU B 243 -23.784 7.660 1.820 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -22.691 8.082 2.221 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -24.396 8.202 0.878 1.00 0.00 O ATOM 0 H GLU B 243 -24.054 4.435 4.099 1.00 0.00 H new ATOM 0 HA GLU B 243 -26.380 5.618 5.101 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -25.843 7.461 3.525 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -24.459 6.953 4.472 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -23.547 5.720 2.622 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -25.007 5.943 1.679 1.00 0.00 H new ATOM 1771 N LYS B 244 -26.670 4.259 2.129 1.00 0.00 N ATOM 1772 CA LYS B 244 -27.594 3.896 1.063 1.00 0.00 C ATOM 1773 C LYS B 244 -28.758 3.102 1.617 1.00 0.00 C ATOM 1774 O LYS B 244 -29.920 3.398 1.339 1.00 0.00 O ATOM 1775 CB LYS B 244 -26.851 3.054 0.050 1.00 0.00 C ATOM 1776 CG LYS B 244 -25.568 3.687 -0.440 1.00 0.00 C ATOM 1777 CD LYS B 244 -25.809 4.867 -1.344 1.00 0.00 C ATOM 1778 CE LYS B 244 -24.503 5.417 -1.903 1.00 0.00 C ATOM 1779 NZ LYS B 244 -23.707 6.198 -0.937 1.00 0.00 N ATOM 0 H LYS B 244 -25.747 3.836 2.037 1.00 0.00 H new ATOM 0 HA LYS B 244 -27.982 4.802 0.597 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -26.622 2.085 0.494 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -27.503 2.868 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -24.975 4.007 0.417 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -24.980 2.940 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -26.461 4.570 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -26.328 5.650 -0.791 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -23.898 4.586 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -24.727 6.047 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -22.991 6.754 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -24.333 6.839 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -23.235 5.551 -0.273 1.00 0.00 H new ATOM 1793 N TRP B 245 -28.439 2.114 2.423 1.00 0.00 N ATOM 1794 CA TRP B 245 -29.442 1.280 3.055 1.00 0.00 C ATOM 1795 C TRP B 245 -30.262 2.096 4.030 1.00 0.00 C ATOM 1796 O TRP B 245 -31.478 1.972 4.092 1.00 0.00 O ATOM 1797 CB TRP B 245 -28.789 0.089 3.750 1.00 0.00 C ATOM 1798 CG TRP B 245 -27.947 -0.714 2.820 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -28.238 -1.023 1.528 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -26.690 -1.332 3.104 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -27.231 -1.749 0.986 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -26.273 -1.971 1.927 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -25.873 -1.400 4.228 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -25.077 -2.673 1.839 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -24.687 -2.101 4.139 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -24.302 -2.727 2.952 1.00 0.00 C ATOM 0 H TRP B 245 -27.479 1.865 2.660 1.00 0.00 H new ATOM 0 HA TRP B 245 -30.111 0.893 2.286 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -28.175 0.445 4.577 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -29.563 -0.548 4.179 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -29.140 -0.732 1.010 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -27.196 -2.079 0.021 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -26.160 -0.915 5.149 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -24.776 -3.156 0.921 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -24.044 -2.166 5.005 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -23.367 -3.266 2.919 1.00 0.00 H new ATOM 1817 N PHE B 246 -29.591 2.977 4.728 1.00 0.00 N ATOM 1818 CA PHE B 246 -30.217 3.868 5.677 1.00 0.00 C ATOM 1819 C PHE B 246 -31.169 4.838 4.962 1.00 0.00 C ATOM 1820 O PHE B 246 -32.252 5.156 5.460 1.00 0.00 O ATOM 1821 CB PHE B 246 -29.117 4.599 6.469 1.00 0.00 C ATOM 1822 CG PHE B 246 -29.481 5.945 7.002 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -30.167 6.086 8.190 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -29.129 7.077 6.290 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -30.495 7.340 8.659 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -29.451 8.328 6.747 1.00 0.00 C ATOM 1827 CZ PHE B 246 -30.138 8.463 7.937 1.00 0.00 C ATOM 0 H PHE B 246 -28.581 3.099 4.653 1.00 0.00 H new ATOM 0 HA PHE B 246 -30.827 3.302 6.381 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -28.818 3.967 7.305 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -28.245 4.709 5.825 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -30.449 5.210 8.755 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -28.592 6.973 5.359 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -31.031 7.445 9.591 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -29.169 9.203 6.180 1.00 0.00 H new ATOM 0 HZ PHE B 246 -30.396 9.446 8.303 1.00 0.00 H new ATOM 1837 N ALA B 247 -30.772 5.262 3.794 1.00 0.00 N ATOM 1838 CA ALA B 247 -31.546 6.179 3.008 1.00 0.00 C ATOM 1839 C ALA B 247 -32.826 5.535 2.495 1.00 0.00 C ATOM 1840 O ALA B 247 -33.852 6.184 2.437 1.00 0.00 O ATOM 1841 CB ALA B 247 -30.713 6.726 1.862 1.00 0.00 C ATOM 0 H ALA B 247 -29.895 4.978 3.358 1.00 0.00 H new ATOM 0 HA ALA B 247 -31.838 7.009 3.651 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -31.314 7.420 1.275 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -29.843 7.247 2.261 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -30.384 5.904 1.227 1.00 0.00 H new ATOM 1847 N LYS B 248 -32.778 4.254 2.164 1.00 0.00 N ATOM 1848 CA LYS B 248 -33.954 3.574 1.617 1.00 0.00 C ATOM 1849 C LYS B 248 -34.802 2.956 2.702 1.00 0.00 C ATOM 1850 O LYS B 248 -35.959 2.641 2.486 1.00 0.00 O ATOM 1851 CB LYS B 248 -33.557 2.536 0.547 1.00 0.00 C ATOM 1852 CG LYS B 248 -32.623 1.415 1.022 1.00 0.00 C ATOM 1853 CD LYS B 248 -33.363 0.240 1.675 1.00 0.00 C ATOM 1854 CE LYS B 248 -32.385 -0.813 2.174 1.00 0.00 C ATOM 1855 NZ LYS B 248 -33.067 -1.973 2.778 1.00 0.00 N ATOM 0 H LYS B 248 -31.951 3.665 2.261 1.00 0.00 H new ATOM 0 HA LYS B 248 -34.566 4.332 1.128 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -34.466 2.083 0.151 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -33.076 3.059 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -32.049 1.046 0.172 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -31.908 1.826 1.735 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -33.967 0.603 2.507 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -34.048 -0.208 0.955 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -31.765 -1.151 1.344 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -31.717 -0.365 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -32.359 -2.662 3.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -33.639 -1.657 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -33.685 -2.419 2.071 1.00 0.00 H new ATOM 1869 N GLN B 249 -34.235 2.807 3.877 1.00 0.00 N ATOM 1870 CA GLN B 249 -34.947 2.209 4.999 1.00 0.00 C ATOM 1871 C GLN B 249 -35.849 3.238 5.666 1.00 0.00 C ATOM 1872 O GLN B 249 -36.487 2.955 6.680 1.00 0.00 O ATOM 1873 CB GLN B 249 -33.976 1.608 6.014 1.00 0.00 C ATOM 1874 CG GLN B 249 -33.227 2.612 6.841 1.00 0.00 C ATOM 1875 CD GLN B 249 -32.268 1.984 7.828 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -31.704 0.856 7.482 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -32.024 2.539 8.894 1.00 0.00 N flip ATOM 0 H GLN B 249 -33.278 3.091 4.088 1.00 0.00 H new ATOM 0 HA GLN B 249 -35.567 1.401 4.611 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -34.532 0.951 6.682 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -33.255 0.987 5.482 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -32.671 3.275 6.178 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.942 3.230 7.384 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -32.484 3.419 9.128 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -31.361 2.121 9.546 1.00 0.00 H new ATOM 1886 N ASN B 250 -35.866 4.439 5.083 1.00 0.00 N ATOM 1887 CA ASN B 250 -36.694 5.560 5.566 1.00 0.00 C ATOM 1888 C ASN B 250 -38.153 5.124 5.714 1.00 0.00 C ATOM 1889 O ASN B 250 -38.832 5.486 6.683 1.00 0.00 O ATOM 1890 CB ASN B 250 -36.578 6.808 4.651 1.00 0.00 C ATOM 1891 CG ASN B 250 -37.233 6.652 3.291 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -38.383 7.009 3.091 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -36.512 6.135 2.363 1.00 0.00 N ATOM 0 H ASN B 250 -35.307 4.668 4.261 1.00 0.00 H new ATOM 0 HA ASN B 250 -36.315 5.848 6.546 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -37.027 7.660 5.161 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -35.523 7.042 4.508 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -36.897 6.013 1.426 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -35.554 5.847 2.562 1.00 0.00 H new ATOM 1900 N GLU B 251 -38.610 4.330 4.764 1.00 0.00 N ATOM 1901 CA GLU B 251 -39.913 3.730 4.798 1.00 0.00 C ATOM 1902 C GLU B 251 -39.735 2.280 4.437 1.00 0.00 C ATOM 1903 O GLU B 251 -39.187 1.959 3.384 1.00 0.00 O ATOM 1904 CB GLU B 251 -40.895 4.423 3.845 1.00 0.00 C ATOM 1905 CG GLU B 251 -41.134 5.892 4.164 1.00 0.00 C ATOM 1906 CD GLU B 251 -42.179 6.536 3.290 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -41.869 6.961 2.165 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -43.340 6.659 3.730 1.00 0.00 O ATOM 0 H GLU B 251 -38.069 4.085 3.935 1.00 0.00 H new ATOM 0 HA GLU B 251 -40.347 3.835 5.792 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -40.517 4.340 2.826 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -41.848 3.895 3.875 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -41.437 5.984 5.207 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -40.196 6.436 4.056 1.00 0.00 H new ATOM 1915 N ILE B 252 -40.134 1.403 5.315 1.00 0.00 N ATOM 1916 CA ILE B 252 -39.909 -0.001 5.115 1.00 0.00 C ATOM 1917 C ILE B 252 -41.111 -0.696 4.527 1.00 0.00 C ATOM 1918 O ILE B 252 -40.973 -1.625 3.730 1.00 0.00 O ATOM 1919 CB ILE B 252 -39.448 -0.721 6.404 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -40.470 -0.563 7.537 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -38.088 -0.198 6.839 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -40.106 -1.332 8.784 1.00 0.00 C ATOM 0 H ILE B 252 -40.619 1.638 6.181 1.00 0.00 H new ATOM 0 HA ILE B 252 -39.096 -0.065 4.392 1.00 0.00 H new ATOM 0 HB ILE B 252 -39.366 -1.785 6.181 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -40.565 0.494 7.786 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -41.446 -0.897 7.185 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -37.774 -0.712 7.747 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -37.359 -0.379 6.049 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -38.155 0.873 7.033 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -40.871 -1.176 9.544 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -40.039 -2.394 8.550 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -39.145 -0.982 9.160 1.00 0.00 H new ATOM 1934 N ASN B 253 -42.279 -0.253 4.895 1.00 0.00 N ATOM 1935 CA ASN B 253 -43.494 -0.882 4.406 1.00 0.00 C ATOM 1936 C ASN B 253 -44.071 -0.060 3.280 1.00 0.00 C ATOM 1937 O ASN B 253 -44.892 -0.527 2.483 1.00 0.00 O ATOM 1938 CB ASN B 253 -44.511 -1.045 5.533 1.00 0.00 C ATOM 1939 CG ASN B 253 -45.094 0.260 6.034 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -46.098 0.748 5.511 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -44.504 0.808 7.054 1.00 0.00 N ATOM 0 H ASN B 253 -42.426 0.534 5.527 1.00 0.00 H new ATOM 0 HA ASN B 253 -43.252 -1.876 4.031 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -45.323 -1.684 5.185 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -44.034 -1.561 6.366 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -44.870 1.674 7.450 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -43.675 0.372 7.458 1.00 0.00 H new ATOM 1948 N GLU B 254 -43.625 1.152 3.222 1.00 0.00 N ATOM 1949 CA GLU B 254 -44.043 2.087 2.223 1.00 0.00 C ATOM 1950 C GLU B 254 -42.981 2.119 1.114 1.00 0.00 C ATOM 1951 O GLU B 254 -42.072 1.268 1.098 1.00 0.00 O ATOM 1952 CB GLU B 254 -44.211 3.467 2.877 1.00 0.00 C ATOM 1953 CG GLU B 254 -45.544 4.159 2.602 1.00 0.00 C ATOM 1954 CD GLU B 254 -45.716 4.582 1.173 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -45.922 3.719 0.309 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -45.664 5.795 0.880 1.00 0.00 O ATOM 0 H GLU B 254 -42.945 1.530 3.881 1.00 0.00 H new ATOM 0 HA GLU B 254 -44.998 1.797 1.784 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -44.092 3.357 3.955 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -43.405 4.115 2.532 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -46.357 3.485 2.873 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -45.629 5.035 3.245 1.00 0.00 H new