USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 34 HIS : no HD1:sc= -0.073 X(o=-2.3,f=-2.5) USER MOD Set 1.2: A 39 MET CE :methyl 155:sc= -1.12 (180deg=-1.47!) USER MOD Set 1.3: B 39 MET CE :methyl -177:sc= -1.11 (180deg=-1.24) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 0.554 USER MOD Set 2.2: B 27 GLN : amide:sc= 0.348 K(o=0.9,f=-2.6!) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.149 USER MOD Set 3.2: A 27 GLN : amide:sc= 0.572 K(o=0.72,f=-2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00284 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -129:sc= -0.105 (180deg=-0.241) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -112:sc= 1.25 (180deg=0.322) USER MOD Single : A 35 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.6!) USER MOD Single : A 36 ASN : amide:sc= -0.0848 K(o=-0.085,f=-8.9!) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0476) USER MOD Single : A 42 ASN : amide:sc= 0.546 K(o=0.55,f=0) USER MOD Single : A 48 SER OG : rot -107:sc= 1.3 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0.102 USER MOD Single : B 17 MET CE :methyl -160:sc= -0.0168 (180deg=-0.0546) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot -34:sc= 1.25 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0.63 (180deg=0.63) USER MOD Single : B 34 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.824 K(o=-0.82,f=-9.4!) USER MOD Single : B 41 LYS NZ :NH3+ -152:sc= 1.28 (180deg=0.893) USER MOD Single : B 42 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 48 SER OG : rot 80:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -15.953 8.471 2.272 1.00 0.00 N ATOM 84 CA LEU A 9 -15.289 7.218 1.931 1.00 0.00 C ATOM 85 C LEU A 9 -15.963 5.993 2.553 1.00 0.00 C ATOM 86 O LEU A 9 -15.795 4.893 2.026 1.00 0.00 O ATOM 87 CB LEU A 9 -13.780 7.270 2.228 1.00 0.00 C ATOM 88 CG LEU A 9 -12.965 8.376 1.513 1.00 0.00 C ATOM 89 CD1 LEU A 9 -13.488 8.728 0.113 1.00 0.00 C ATOM 90 CD2 LEU A 9 -12.860 9.659 2.348 1.00 0.00 C ATOM 0 HA LEU A 9 -15.399 7.098 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.649 7.393 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.348 6.305 1.963 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.973 7.940 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.865 9.510 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.455 7.842 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.516 9.082 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.279 10.402 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.859 10.050 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.367 9.438 3.295 1.00 0.00 H new ATOM 102 N SER A 10 -16.769 6.141 3.611 1.00 0.00 N ATOM 103 CA SER A 10 -17.460 5.011 4.236 1.00 0.00 C ATOM 104 C SER A 10 -18.404 4.321 3.243 1.00 0.00 C ATOM 105 O SER A 10 -18.658 3.120 3.359 1.00 0.00 O ATOM 106 CB SER A 10 -18.192 5.443 5.518 1.00 0.00 C ATOM 107 OG SER A 10 -18.879 6.680 5.389 1.00 0.00 O ATOM 0 H SER A 10 -16.959 7.040 4.054 1.00 0.00 H new ATOM 0 HA SER A 10 -16.707 4.279 4.528 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.905 4.668 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.470 5.521 6.331 1.00 0.00 H new ATOM 0 HG SER A 10 -19.324 6.897 6.235 1.00 0.00 H new ATOM 113 N SER A 11 -18.914 5.053 2.252 1.00 0.00 N ATOM 114 CA SER A 11 -19.806 4.513 1.238 1.00 0.00 C ATOM 115 C SER A 11 -19.014 3.699 0.213 1.00 0.00 C ATOM 116 O SER A 11 -19.558 2.780 -0.388 1.00 0.00 O ATOM 117 CB SER A 11 -20.536 5.682 0.578 1.00 0.00 C ATOM 118 OG SER A 11 -21.156 6.457 1.590 1.00 0.00 O ATOM 0 H SER A 11 -18.715 6.046 2.134 1.00 0.00 H new ATOM 0 HA SER A 11 -20.534 3.839 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.835 6.293 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.282 5.313 -0.126 1.00 0.00 H new ATOM 0 HG SER A 11 -21.627 7.213 1.181 1.00 0.00 H new ATOM 124 N GLU A 12 -17.724 3.994 0.033 1.00 0.00 N ATOM 125 CA GLU A 12 -16.859 3.300 -0.912 1.00 0.00 C ATOM 126 C GLU A 12 -16.360 1.975 -0.335 1.00 0.00 C ATOM 127 O GLU A 12 -16.106 1.030 -1.087 1.00 0.00 O ATOM 128 CB GLU A 12 -15.717 4.223 -1.353 1.00 0.00 C ATOM 129 CG GLU A 12 -16.229 5.546 -1.952 1.00 0.00 C ATOM 130 CD GLU A 12 -17.299 5.346 -3.026 1.00 0.00 C ATOM 131 OE1 GLU A 12 -17.187 4.399 -3.838 1.00 0.00 O ATOM 132 OE2 GLU A 12 -18.316 6.079 -3.011 1.00 0.00 O ATOM 0 H GLU A 12 -17.248 4.734 0.550 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.435 3.045 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -15.077 4.438 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -15.101 3.708 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.636 6.166 -1.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.389 6.092 -2.382 1.00 0.00 H new ATOM 139 N ILE A 13 -16.273 1.876 0.998 1.00 0.00 N ATOM 140 CA ILE A 13 -15.850 0.657 1.690 1.00 0.00 C ATOM 141 C ILE A 13 -16.817 -0.461 1.265 1.00 0.00 C ATOM 142 O ILE A 13 -16.399 -1.574 0.963 1.00 0.00 O ATOM 143 CB ILE A 13 -15.860 0.893 3.225 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.727 1.866 3.616 1.00 0.00 C ATOM 145 CG2 ILE A 13 -15.764 -0.398 4.064 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.655 2.226 5.099 1.00 0.00 C ATOM 0 H ILE A 13 -16.496 2.646 1.628 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.831 0.373 1.426 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.832 1.327 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.775 1.426 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.846 2.785 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.777 -0.145 5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.611 -1.045 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.836 -0.918 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.826 2.914 5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.588 2.701 5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.500 1.321 5.686 1.00 0.00 H new ATOM 158 N GLU A 14 -18.109 -0.140 1.185 1.00 0.00 N ATOM 159 CA GLU A 14 -19.180 -1.049 0.797 1.00 0.00 C ATOM 160 C GLU A 14 -18.933 -1.646 -0.591 1.00 0.00 C ATOM 161 O GLU A 14 -19.182 -2.833 -0.805 1.00 0.00 O ATOM 162 CB GLU A 14 -20.514 -0.283 0.798 1.00 0.00 C ATOM 163 CG GLU A 14 -20.842 0.386 2.142 1.00 0.00 C ATOM 164 CD GLU A 14 -20.954 -0.625 3.283 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.584 -1.688 3.067 1.00 0.00 O ATOM 166 OE2 GLU A 14 -20.456 -0.320 4.391 1.00 0.00 O ATOM 0 H GLU A 14 -18.448 0.798 1.398 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.213 -1.869 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.485 0.480 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.318 -0.972 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.068 1.115 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.780 0.935 2.053 1.00 0.00 H new ATOM 173 N ARG A 15 -18.455 -0.841 -1.551 1.00 0.00 N ATOM 174 CA ARG A 15 -18.195 -1.349 -2.897 1.00 0.00 C ATOM 175 C ARG A 15 -17.018 -2.314 -2.850 1.00 0.00 C ATOM 176 O ARG A 15 -17.014 -3.299 -3.591 1.00 0.00 O ATOM 177 CB ARG A 15 -17.939 -0.220 -3.914 1.00 0.00 C ATOM 178 CG ARG A 15 -19.182 0.588 -4.328 1.00 0.00 C ATOM 179 CD ARG A 15 -19.491 1.718 -3.345 1.00 0.00 C ATOM 180 NE ARG A 15 -20.680 2.489 -3.730 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.716 3.609 -4.462 1.00 0.00 C ATOM 182 NH1 ARG A 15 -19.622 4.157 -4.971 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.882 4.191 -4.692 1.00 0.00 N ATOM 0 H ARG A 15 -18.245 0.148 -1.420 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.088 -1.873 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.204 0.466 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.494 -0.654 -4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.026 1.006 -5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.041 -0.079 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.640 1.299 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.632 2.387 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.578 2.131 -3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.712 3.724 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.690 5.011 -5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.738 3.786 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.925 5.045 -5.248 1.00 0.00 H new ATOM 197 N LEU A 16 -16.007 -2.016 -2.030 1.00 0.00 N ATOM 198 CA LEU A 16 -14.818 -2.846 -1.872 1.00 0.00 C ATOM 199 C LEU A 16 -15.166 -4.168 -1.193 1.00 0.00 C ATOM 200 O LEU A 16 -14.595 -5.188 -1.569 1.00 0.00 O ATOM 201 CB LEU A 16 -13.739 -2.092 -1.083 1.00 0.00 C ATOM 202 CG LEU A 16 -13.048 -1.004 -1.919 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.330 -0.006 -1.017 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.061 -1.637 -2.900 1.00 0.00 C ATOM 0 H LEU A 16 -15.995 -1.177 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.422 -3.072 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.190 -1.636 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.992 -2.801 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.811 -0.469 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.847 0.756 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.052 0.467 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.577 -0.527 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.578 -0.855 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.305 -2.195 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.595 -2.313 -3.568 1.00 0.00 H new ATOM 216 N MET A 17 -16.110 -4.180 -0.246 1.00 0.00 N ATOM 217 CA MET A 17 -16.528 -5.401 0.438 1.00 0.00 C ATOM 218 C MET A 17 -17.014 -6.410 -0.603 1.00 0.00 C ATOM 219 O MET A 17 -16.598 -7.567 -0.575 1.00 0.00 O ATOM 220 CB MET A 17 -17.644 -5.096 1.444 1.00 0.00 C ATOM 221 CG MET A 17 -17.100 -4.492 2.734 1.00 0.00 C ATOM 222 SD MET A 17 -18.392 -4.152 3.956 1.00 0.00 S ATOM 223 CE MET A 17 -17.314 -3.750 5.341 1.00 0.00 C ATOM 0 H MET A 17 -16.603 -3.343 0.065 1.00 0.00 H new ATOM 0 HA MET A 17 -15.683 -5.818 0.986 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.359 -4.407 0.994 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.186 -6.013 1.673 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.368 -5.174 3.167 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.575 -3.566 2.502 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.609 -4.334 6.213 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.282 -3.985 5.079 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.397 -2.688 5.570 1.00 0.00 H new ATOM 233 N SER A 18 -17.846 -5.958 -1.551 1.00 0.00 N ATOM 234 CA SER A 18 -18.376 -6.808 -2.611 1.00 0.00 C ATOM 235 C SER A 18 -17.218 -7.409 -3.425 1.00 0.00 C ATOM 236 O SER A 18 -17.265 -8.581 -3.795 1.00 0.00 O ATOM 237 CB SER A 18 -19.343 -5.987 -3.477 1.00 0.00 C ATOM 238 OG SER A 18 -19.956 -6.782 -4.470 1.00 0.00 O ATOM 0 H SER A 18 -18.167 -4.991 -1.599 1.00 0.00 H new ATOM 0 HA SER A 18 -18.936 -7.643 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.109 -5.540 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 18 -18.802 -5.167 -3.949 1.00 0.00 H new ATOM 0 HG SER A 18 -20.566 -6.229 -5.002 1.00 0.00 H new ATOM 244 N GLN A 19 -16.153 -6.639 -3.692 1.00 0.00 N ATOM 245 CA GLN A 19 -15.004 -7.129 -4.450 1.00 0.00 C ATOM 246 C GLN A 19 -14.257 -8.252 -3.716 1.00 0.00 C ATOM 247 O GLN A 19 -13.389 -8.873 -4.325 1.00 0.00 O ATOM 248 CB GLN A 19 -14.065 -5.982 -4.857 1.00 0.00 C ATOM 249 CG GLN A 19 -14.753 -5.025 -5.839 1.00 0.00 C ATOM 250 CD GLN A 19 -13.811 -3.937 -6.343 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.803 -2.829 -5.812 1.00 0.00 O ATOM 252 NE2 GLN A 19 -13.029 -4.208 -7.368 1.00 0.00 N ATOM 0 H GLN A 19 -16.069 -5.669 -3.390 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.394 -7.568 -5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.751 -5.433 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.164 -6.391 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.136 -5.592 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.611 -4.562 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.050 -5.134 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.402 -3.492 -7.735 1.00 0.00 H new ATOM 261 N GLY A 20 -14.582 -8.557 -2.458 1.00 0.00 N ATOM 262 CA GLY A 20 -13.954 -9.626 -1.703 1.00 0.00 C ATOM 263 C GLY A 20 -12.830 -9.170 -0.785 1.00 0.00 C ATOM 264 O GLY A 20 -12.178 -10.039 -0.211 1.00 0.00 O ATOM 0 H GLY A 20 -15.300 -8.057 -1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.715 -10.127 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.560 -10.364 -2.401 1.00 0.00 H new ATOM 268 N TYR A 21 -12.534 -7.874 -0.668 1.00 0.00 N ATOM 269 CA TYR A 21 -11.466 -7.432 0.228 1.00 0.00 C ATOM 270 C TYR A 21 -12.031 -7.442 1.659 1.00 0.00 C ATOM 271 O TYR A 21 -13.227 -7.187 1.847 1.00 0.00 O ATOM 272 CB TYR A 21 -10.964 -6.043 -0.186 1.00 0.00 C ATOM 273 CG TYR A 21 -10.570 -5.910 -1.650 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.487 -6.640 -2.177 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.303 -5.056 -2.494 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.153 -6.528 -3.538 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.958 -4.918 -3.848 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.881 -5.657 -4.376 1.00 0.00 C ATOM 279 OH TYR A 21 -9.544 -5.500 -5.685 1.00 0.00 O ATOM 0 H TYR A 21 -13.009 -7.125 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.605 -8.099 0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.742 -5.312 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.103 -5.786 0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.911 -7.288 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.140 -4.501 -2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.338 -7.110 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.517 -4.247 -4.483 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.157 -4.862 -6.106 1.00 0.00 H new ATOM 289 N SER A 22 -11.217 -7.759 2.671 1.00 0.00 N ATOM 290 CA SER A 22 -11.665 -7.786 4.066 1.00 0.00 C ATOM 291 C SER A 22 -11.849 -6.369 4.600 1.00 0.00 C ATOM 292 O SER A 22 -11.188 -5.436 4.144 1.00 0.00 O ATOM 293 CB SER A 22 -10.640 -8.523 4.938 1.00 0.00 C ATOM 294 OG SER A 22 -10.301 -9.782 4.393 1.00 0.00 O ATOM 0 H SER A 22 -10.234 -8.003 2.547 1.00 0.00 H new ATOM 0 HA SER A 22 -12.621 -8.309 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.741 -7.915 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.045 -8.657 5.941 1.00 0.00 H new ATOM 0 HG SER A 22 -9.645 -10.223 4.972 1.00 0.00 H new ATOM 300 N TYR A 23 -12.712 -6.206 5.605 1.00 0.00 N ATOM 301 CA TYR A 23 -12.970 -4.904 6.206 1.00 0.00 C ATOM 302 C TYR A 23 -11.696 -4.305 6.801 1.00 0.00 C ATOM 303 O TYR A 23 -11.438 -3.114 6.623 1.00 0.00 O ATOM 304 CB TYR A 23 -14.056 -5.038 7.275 1.00 0.00 C ATOM 305 CG TYR A 23 -14.439 -3.735 7.952 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.754 -2.599 7.184 1.00 0.00 C ATOM 307 CD2 TYR A 23 -14.487 -3.662 9.357 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.182 -1.420 7.810 1.00 0.00 C ATOM 309 CE2 TYR A 23 -14.940 -2.491 9.992 1.00 0.00 C ATOM 310 CZ TYR A 23 -15.312 -1.374 9.212 1.00 0.00 C ATOM 311 OH TYR A 23 -15.760 -0.227 9.782 1.00 0.00 O ATOM 0 H TYR A 23 -13.246 -6.969 6.020 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.317 -4.225 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.946 -5.470 6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.715 -5.741 8.035 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.666 -2.635 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.175 -4.509 9.950 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.412 -0.547 7.217 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.003 -2.447 11.069 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.801 -0.339 10.755 1.00 0.00 H new ATOM 321 N GLN A 24 -10.904 -5.124 7.500 1.00 0.00 N ATOM 322 CA GLN A 24 -9.657 -4.699 8.113 1.00 0.00 C ATOM 323 C GLN A 24 -8.735 -4.154 7.021 1.00 0.00 C ATOM 324 O GLN A 24 -8.274 -3.024 7.145 1.00 0.00 O ATOM 325 CB GLN A 24 -8.979 -5.867 8.854 1.00 0.00 C ATOM 326 CG GLN A 24 -9.646 -6.230 10.190 1.00 0.00 C ATOM 327 CD GLN A 24 -9.019 -5.503 11.381 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.180 -6.047 12.092 1.00 0.00 O ATOM 329 NE2 GLN A 24 -9.397 -4.266 11.655 1.00 0.00 N ATOM 0 H GLN A 24 -11.119 -6.109 7.653 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.864 -3.920 8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.982 -6.745 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.936 -5.610 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.707 -5.987 10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.573 -7.306 10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.094 -3.804 11.070 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.992 -3.773 12.451 1.00 0.00 H new ATOM 338 N ASP A 25 -8.512 -4.935 5.954 1.00 0.00 N ATOM 339 CA ASP A 25 -7.668 -4.575 4.812 1.00 0.00 C ATOM 340 C ASP A 25 -8.143 -3.238 4.243 1.00 0.00 C ATOM 341 O ASP A 25 -7.369 -2.292 4.130 1.00 0.00 O ATOM 342 CB ASP A 25 -7.732 -5.634 3.686 1.00 0.00 C ATOM 343 CG ASP A 25 -6.940 -6.919 3.940 1.00 0.00 C ATOM 344 OD1 ASP A 25 -7.279 -7.646 4.899 1.00 0.00 O ATOM 345 OD2 ASP A 25 -6.080 -7.267 3.093 1.00 0.00 O ATOM 0 H ASP A 25 -8.928 -5.862 5.862 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.639 -4.513 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.776 -5.899 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.368 -5.180 2.764 1.00 0.00 H new ATOM 350 N ILE A 26 -9.431 -3.135 3.896 1.00 0.00 N ATOM 351 CA ILE A 26 -10.030 -1.931 3.329 1.00 0.00 C ATOM 352 C ILE A 26 -9.694 -0.702 4.183 1.00 0.00 C ATOM 353 O ILE A 26 -9.240 0.315 3.649 1.00 0.00 O ATOM 354 CB ILE A 26 -11.550 -2.140 3.127 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.848 -3.189 2.033 1.00 0.00 C ATOM 356 CG2 ILE A 26 -12.220 -0.821 2.723 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.278 -3.745 2.123 1.00 0.00 C ATOM 0 H ILE A 26 -10.094 -3.902 4.005 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.604 -1.739 2.344 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.948 -2.497 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.698 -2.738 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.136 -4.010 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.289 -0.983 2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.064 -0.079 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.784 -0.462 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.434 -4.478 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.423 -4.222 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.993 -2.930 2.009 1.00 0.00 H new ATOM 369 N GLN A 27 -9.928 -0.785 5.490 1.00 0.00 N ATOM 370 CA GLN A 27 -9.657 0.310 6.409 1.00 0.00 C ATOM 371 C GLN A 27 -8.155 0.604 6.491 1.00 0.00 C ATOM 372 O GLN A 27 -7.751 1.751 6.317 1.00 0.00 O ATOM 373 CB GLN A 27 -10.268 -0.012 7.780 1.00 0.00 C ATOM 374 CG GLN A 27 -11.807 -0.038 7.737 1.00 0.00 C ATOM 375 CD GLN A 27 -12.457 1.348 7.779 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.959 2.345 7.252 1.00 0.00 O ATOM 377 NE2 GLN A 27 -13.619 1.438 8.398 1.00 0.00 N ATOM 0 H GLN A 27 -10.312 -1.616 5.940 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.125 1.221 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.899 -0.979 8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.939 0.731 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.126 -0.550 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.173 -0.625 8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.030 0.612 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.106 2.333 8.441 1.00 0.00 H new ATOM 386 N LYS A 28 -7.301 -0.399 6.719 1.00 0.00 N ATOM 387 CA LYS A 28 -5.846 -0.208 6.817 1.00 0.00 C ATOM 388 C LYS A 28 -5.305 0.480 5.563 1.00 0.00 C ATOM 389 O LYS A 28 -4.375 1.283 5.666 1.00 0.00 O ATOM 390 CB LYS A 28 -5.147 -1.552 7.082 1.00 0.00 C ATOM 391 CG LYS A 28 -5.447 -2.078 8.501 1.00 0.00 C ATOM 392 CD LYS A 28 -5.370 -3.607 8.597 1.00 0.00 C ATOM 393 CE LYS A 28 -3.952 -4.184 8.681 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.387 -4.158 10.045 1.00 0.00 N ATOM 0 H LYS A 28 -7.597 -1.367 6.841 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.632 0.447 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.475 -2.285 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.071 -1.434 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.739 -1.638 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.441 -1.749 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.929 -3.929 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.869 -4.035 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.965 -5.213 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.299 -3.621 8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.600 -3.480 10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.124 -3.870 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.039 -5.106 10.295 1.00 0.00 H new ATOM 408 N ALA A 29 -5.886 0.200 4.393 1.00 0.00 N ATOM 409 CA ALA A 29 -5.464 0.819 3.148 1.00 0.00 C ATOM 410 C ALA A 29 -5.711 2.326 3.251 1.00 0.00 C ATOM 411 O ALA A 29 -4.803 3.100 2.962 1.00 0.00 O ATOM 412 CB ALA A 29 -6.172 0.198 1.940 1.00 0.00 C ATOM 0 H ALA A 29 -6.657 -0.459 4.289 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.400 0.641 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.831 0.687 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.941 -0.866 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.249 0.331 2.042 1.00 0.00 H new ATOM 418 N LEU A 30 -6.908 2.753 3.682 1.00 0.00 N ATOM 419 CA LEU A 30 -7.259 4.168 3.837 1.00 0.00 C ATOM 420 C LEU A 30 -6.306 4.860 4.809 1.00 0.00 C ATOM 421 O LEU A 30 -5.815 5.943 4.493 1.00 0.00 O ATOM 422 CB LEU A 30 -8.695 4.364 4.360 1.00 0.00 C ATOM 423 CG LEU A 30 -9.822 4.057 3.363 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.158 4.103 4.115 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.864 5.058 2.199 1.00 0.00 C ATOM 0 H LEU A 30 -7.665 2.117 3.934 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.181 4.608 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.831 3.731 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.802 5.397 4.692 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.638 3.071 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.972 3.887 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.153 3.360 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.300 5.095 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.678 4.796 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.025 6.063 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.919 5.026 1.657 1.00 0.00 H new ATOM 437 N VAL A 31 -6.029 4.249 5.964 1.00 0.00 N ATOM 438 CA VAL A 31 -5.142 4.795 6.994 1.00 0.00 C ATOM 439 C VAL A 31 -3.782 5.175 6.398 1.00 0.00 C ATOM 440 O VAL A 31 -3.269 6.270 6.643 1.00 0.00 O ATOM 441 CB VAL A 31 -4.990 3.768 8.143 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.979 4.205 9.210 1.00 0.00 C ATOM 443 CG2 VAL A 31 -6.319 3.492 8.856 1.00 0.00 C ATOM 0 H VAL A 31 -6.423 3.342 6.214 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.582 5.707 7.399 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.630 2.865 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.918 3.443 9.987 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.999 4.334 8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.300 5.148 9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.160 2.766 9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.703 4.419 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.040 3.094 8.141 1.00 0.00 H new ATOM 453 N ILE A 32 -3.199 4.275 5.607 1.00 0.00 N ATOM 454 CA ILE A 32 -1.897 4.463 4.976 1.00 0.00 C ATOM 455 C ILE A 32 -2.001 5.337 3.720 1.00 0.00 C ATOM 456 O ILE A 32 -1.017 5.951 3.305 1.00 0.00 O ATOM 457 CB ILE A 32 -1.317 3.066 4.685 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.148 2.250 5.987 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.034 3.170 3.965 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.040 0.743 5.770 1.00 0.00 C ATOM 0 H ILE A 32 -3.629 3.377 5.384 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.222 5.002 5.641 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.025 2.550 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.254 2.596 6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.996 2.452 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.421 2.170 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.097 3.697 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.739 3.717 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.924 0.244 6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.944 0.380 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.175 0.527 5.142 1.00 0.00 H new ATOM 472 N ALA A 33 -3.171 5.412 3.093 1.00 0.00 N ATOM 473 CA ALA A 33 -3.410 6.209 1.908 1.00 0.00 C ATOM 474 C ALA A 33 -3.848 7.626 2.284 1.00 0.00 C ATOM 475 O ALA A 33 -4.253 8.375 1.401 1.00 0.00 O ATOM 476 CB ALA A 33 -4.432 5.496 1.026 1.00 0.00 C ATOM 0 H ALA A 33 -3.997 4.904 3.409 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.486 6.316 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.618 6.090 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.045 4.518 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.364 5.370 1.578 1.00 0.00 H new ATOM 482 N HIS A 34 -3.756 8.013 3.562 1.00 0.00 N ATOM 483 CA HIS A 34 -4.158 9.329 4.060 1.00 0.00 C ATOM 484 C HIS A 34 -5.608 9.618 3.618 1.00 0.00 C ATOM 485 O HIS A 34 -5.934 10.690 3.111 1.00 0.00 O ATOM 486 CB HIS A 34 -3.153 10.414 3.626 1.00 0.00 C ATOM 487 CG HIS A 34 -1.682 10.152 3.891 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.648 10.806 3.257 1.00 0.00 N ATOM 489 CD2 HIS A 34 -1.121 9.274 4.784 1.00 0.00 C ATOM 490 CE1 HIS A 34 0.506 10.348 3.772 1.00 0.00 C ATOM 491 NE2 HIS A 34 0.273 9.410 4.707 1.00 0.00 N ATOM 0 H HIS A 34 -3.391 7.403 4.294 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.143 9.339 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.278 10.579 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.425 11.344 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.658 8.597 5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.487 10.687 3.475 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.969 8.900 5.251 1.00 0.00 H new ATOM 499 N ASN A 35 -6.486 8.624 3.813 1.00 0.00 N ATOM 500 CA ASN A 35 -7.917 8.593 3.483 1.00 0.00 C ATOM 501 C ASN A 35 -8.205 8.612 1.981 1.00 0.00 C ATOM 502 O ASN A 35 -9.373 8.676 1.595 1.00 0.00 O ATOM 503 CB ASN A 35 -8.735 9.656 4.254 1.00 0.00 C ATOM 504 CG ASN A 35 -8.836 9.345 5.738 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.520 8.245 6.175 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.252 10.282 6.565 1.00 0.00 N ATOM 0 H ASN A 35 -6.188 7.748 4.242 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.264 7.621 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.272 10.634 4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.737 9.718 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.310 10.090 7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.516 11.199 6.205 1.00 0.00 H new ATOM 513 N ASN A 36 -7.188 8.546 1.120 1.00 0.00 N ATOM 514 CA ASN A 36 -7.367 8.555 -0.324 1.00 0.00 C ATOM 515 C ASN A 36 -7.925 7.207 -0.783 1.00 0.00 C ATOM 516 O ASN A 36 -7.189 6.218 -0.839 1.00 0.00 O ATOM 517 CB ASN A 36 -6.053 8.898 -1.024 1.00 0.00 C ATOM 518 CG ASN A 36 -6.292 9.151 -2.501 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.050 8.459 -3.167 1.00 0.00 O ATOM 520 ND2 ASN A 36 -5.616 10.131 -3.058 1.00 0.00 N ATOM 0 H ASN A 36 -6.213 8.485 1.412 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.087 9.327 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.608 9.781 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.342 8.081 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.721 10.321 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.987 10.702 -2.494 1.00 0.00 H new ATOM 527 N ILE A 37 -9.220 7.155 -1.099 1.00 0.00 N ATOM 528 CA ILE A 37 -9.895 5.941 -1.545 1.00 0.00 C ATOM 529 C ILE A 37 -9.310 5.390 -2.847 1.00 0.00 C ATOM 530 O ILE A 37 -9.214 4.179 -3.000 1.00 0.00 O ATOM 531 CB ILE A 37 -11.417 6.201 -1.663 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.235 4.962 -2.092 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.765 7.343 -2.640 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.264 3.837 -1.056 1.00 0.00 C ATOM 0 H ILE A 37 -9.835 7.967 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.729 5.168 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.695 6.480 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.258 5.272 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.822 4.573 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.847 7.474 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.299 8.268 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.396 7.096 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.859 3.007 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.247 3.496 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.706 4.206 -0.131 1.00 0.00 H new ATOM 546 N GLU A 38 -8.936 6.241 -3.796 1.00 0.00 N ATOM 547 CA GLU A 38 -8.392 5.831 -5.089 1.00 0.00 C ATOM 548 C GLU A 38 -7.030 5.174 -4.930 1.00 0.00 C ATOM 549 O GLU A 38 -6.743 4.134 -5.533 1.00 0.00 O ATOM 550 CB GLU A 38 -8.342 7.049 -6.013 1.00 0.00 C ATOM 551 CG GLU A 38 -9.787 7.532 -6.225 1.00 0.00 C ATOM 552 CD GLU A 38 -9.980 8.426 -7.439 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.729 7.949 -8.570 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.489 9.558 -7.281 1.00 0.00 O ATOM 0 H GLU A 38 -9.003 7.253 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.041 5.079 -5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.735 7.840 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.882 6.788 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.437 6.662 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.110 8.073 -5.336 1.00 0.00 H new ATOM 561 N MET A 39 -6.206 5.772 -4.080 1.00 0.00 N ATOM 562 CA MET A 39 -4.884 5.275 -3.778 1.00 0.00 C ATOM 563 C MET A 39 -5.070 3.926 -3.086 1.00 0.00 C ATOM 564 O MET A 39 -4.510 2.922 -3.521 1.00 0.00 O ATOM 565 CB MET A 39 -4.198 6.306 -2.891 1.00 0.00 C ATOM 566 CG MET A 39 -2.699 6.108 -2.742 1.00 0.00 C ATOM 567 SD MET A 39 -1.970 7.531 -1.879 1.00 0.00 S ATOM 568 CE MET A 39 -0.280 7.494 -2.512 1.00 0.00 C ATOM 0 H MET A 39 -6.447 6.627 -3.578 1.00 0.00 H new ATOM 0 HA MET A 39 -4.259 5.128 -4.659 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.382 7.299 -3.300 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.656 6.279 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.498 5.192 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.239 5.992 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.153 8.493 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.317 6.804 -1.916 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.288 7.163 -3.550 1.00 0.00 H new ATOM 578 N ALA A 40 -5.921 3.878 -2.055 1.00 0.00 N ATOM 579 CA ALA A 40 -6.215 2.677 -1.294 1.00 0.00 C ATOM 580 C ALA A 40 -6.740 1.558 -2.202 1.00 0.00 C ATOM 581 O ALA A 40 -6.325 0.408 -2.071 1.00 0.00 O ATOM 582 CB ALA A 40 -7.218 3.015 -0.191 1.00 0.00 C ATOM 0 H ALA A 40 -6.432 4.697 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.296 2.309 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.443 2.117 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.792 3.771 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.135 3.398 -0.638 1.00 0.00 H new ATOM 588 N LYS A 41 -7.608 1.881 -3.168 1.00 0.00 N ATOM 589 CA LYS A 41 -8.167 0.917 -4.118 1.00 0.00 C ATOM 590 C LYS A 41 -7.039 0.223 -4.870 1.00 0.00 C ATOM 591 O LYS A 41 -7.133 -0.979 -5.120 1.00 0.00 O ATOM 592 CB LYS A 41 -9.097 1.624 -5.117 1.00 0.00 C ATOM 593 CG LYS A 41 -10.517 1.796 -4.587 1.00 0.00 C ATOM 594 CD LYS A 41 -11.315 2.795 -5.435 1.00 0.00 C ATOM 595 CE LYS A 41 -12.812 2.574 -5.203 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.290 1.416 -5.988 1.00 0.00 N ATOM 0 H LYS A 41 -7.945 2.833 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.745 0.177 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.684 2.603 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.128 1.052 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.025 0.832 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.482 2.141 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.041 3.816 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.076 2.666 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.001 2.406 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.366 3.468 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.330 1.400 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.948 1.496 -6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.928 0.537 -5.566 1.00 0.00 H new ATOM 610 N ASN A 42 -6.011 0.974 -5.272 1.00 0.00 N ATOM 611 CA ASN A 42 -4.863 0.428 -5.983 1.00 0.00 C ATOM 612 C ASN A 42 -4.117 -0.532 -5.057 1.00 0.00 C ATOM 613 O ASN A 42 -3.745 -1.613 -5.505 1.00 0.00 O ATOM 614 CB ASN A 42 -3.938 1.532 -6.522 1.00 0.00 C ATOM 615 CG ASN A 42 -4.452 2.118 -7.827 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.234 1.549 -8.891 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.193 3.211 -7.792 1.00 0.00 N ATOM 0 H ASN A 42 -5.955 1.980 -5.111 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.217 -0.118 -6.857 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.848 2.325 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.939 1.125 -6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.588 3.587 -8.654 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.370 3.679 -6.903 1.00 0.00 H new ATOM 624 N ILE A 43 -3.926 -0.182 -3.777 1.00 0.00 N ATOM 625 CA ILE A 43 -3.235 -1.037 -2.804 1.00 0.00 C ATOM 626 C ILE A 43 -3.978 -2.367 -2.734 1.00 0.00 C ATOM 627 O ILE A 43 -3.397 -3.416 -2.987 1.00 0.00 O ATOM 628 CB ILE A 43 -3.135 -0.398 -1.391 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.480 0.995 -1.456 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.361 -1.333 -0.442 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.405 1.746 -0.130 1.00 0.00 C ATOM 0 H ILE A 43 -4.247 0.704 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.208 -1.177 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.143 -0.265 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.469 0.884 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.034 1.605 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.296 -0.876 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.882 -2.288 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.357 -1.497 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.927 2.713 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.412 1.897 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.822 1.165 0.585 1.00 0.00 H new ATOM 643 N LEU A 44 -5.279 -2.328 -2.446 1.00 0.00 N ATOM 644 CA LEU A 44 -6.115 -3.520 -2.326 1.00 0.00 C ATOM 645 C LEU A 44 -6.092 -4.378 -3.585 1.00 0.00 C ATOM 646 O LEU A 44 -6.146 -5.598 -3.482 1.00 0.00 O ATOM 647 CB LEU A 44 -7.564 -3.111 -2.020 1.00 0.00 C ATOM 648 CG LEU A 44 -7.736 -2.428 -0.653 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.142 -1.839 -0.574 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.521 -3.405 0.505 1.00 0.00 C ATOM 0 H LEU A 44 -5.787 -1.458 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.706 -4.117 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.915 -2.436 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.198 -3.997 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.984 -1.644 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.278 -1.351 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.276 -1.109 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.877 -2.636 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.652 -2.881 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.246 -4.216 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.512 -3.814 0.453 1.00 0.00 H new ATOM 662 N ARG A 45 -6.029 -3.761 -4.767 1.00 0.00 N ATOM 663 CA ARG A 45 -6.016 -4.480 -6.036 1.00 0.00 C ATOM 664 C ARG A 45 -4.672 -5.148 -6.334 1.00 0.00 C ATOM 665 O ARG A 45 -4.663 -6.173 -7.007 1.00 0.00 O ATOM 666 CB ARG A 45 -6.387 -3.491 -7.156 1.00 0.00 C ATOM 667 CG ARG A 45 -6.682 -4.202 -8.481 1.00 0.00 C ATOM 668 CD ARG A 45 -7.221 -3.224 -9.527 1.00 0.00 C ATOM 669 NE ARG A 45 -7.580 -3.945 -10.753 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.021 -3.419 -11.897 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.210 -2.108 -12.010 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.279 -4.218 -12.923 1.00 0.00 N ATOM 0 H ARG A 45 -5.986 -2.747 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.744 -5.289 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.260 -2.913 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.570 -2.784 -7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.772 -4.673 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.408 -4.998 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.094 -2.703 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.470 -2.466 -9.748 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.482 -4.960 -10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.018 -1.495 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.547 -1.715 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.140 -5.224 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.617 -3.826 -13.802 1.00 0.00 H new ATOM 686 N GLU A 46 -3.556 -4.605 -5.850 1.00 0.00 N ATOM 687 CA GLU A 46 -2.224 -5.148 -6.111 1.00 0.00 C ATOM 688 C GLU A 46 -1.620 -5.947 -4.954 1.00 0.00 C ATOM 689 O GLU A 46 -0.758 -6.786 -5.214 1.00 0.00 O ATOM 690 CB GLU A 46 -1.302 -3.969 -6.460 1.00 0.00 C ATOM 691 CG GLU A 46 -1.440 -3.514 -7.925 1.00 0.00 C ATOM 692 CD GLU A 46 -0.384 -4.180 -8.807 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.818 -3.855 -8.681 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.711 -5.097 -9.595 1.00 0.00 O ATOM 0 H GLU A 46 -3.551 -3.771 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.321 -5.861 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.528 -3.130 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.267 -4.254 -6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.435 -3.761 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.338 -2.430 -7.984 1.00 0.00 H new ATOM 701 N PHE A 47 -2.040 -5.715 -3.710 1.00 0.00 N ATOM 702 CA PHE A 47 -1.533 -6.399 -2.526 1.00 0.00 C ATOM 703 C PHE A 47 -2.544 -7.450 -2.101 1.00 0.00 C ATOM 704 O PHE A 47 -2.260 -8.648 -2.194 1.00 0.00 O ATOM 705 CB PHE A 47 -1.203 -5.401 -1.400 1.00 0.00 C ATOM 706 CG PHE A 47 0.117 -4.691 -1.615 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.308 -3.830 -2.717 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.194 -4.966 -0.753 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.586 -3.317 -2.994 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.453 -4.413 -1.011 1.00 0.00 C ATOM 711 CZ PHE A 47 2.653 -3.622 -2.140 1.00 0.00 C ATOM 0 H PHE A 47 -2.762 -5.027 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.593 -6.899 -2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.001 -4.662 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.175 -5.931 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.528 -3.566 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.049 -5.603 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.745 -2.691 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.272 -4.600 -0.333 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.640 -3.241 -2.359 1.00 0.00 H new ATOM 721 N SER A 48 -3.694 -7.018 -1.594 1.00 0.00 N ATOM 722 CA SER A 48 -4.768 -7.901 -1.166 1.00 0.00 C ATOM 723 C SER A 48 -5.396 -8.567 -2.407 1.00 0.00 C ATOM 724 O SER A 48 -4.934 -8.384 -3.540 1.00 0.00 O ATOM 725 CB SER A 48 -5.753 -7.073 -0.328 1.00 0.00 C ATOM 726 OG SER A 48 -5.078 -6.536 0.786 1.00 0.00 O ATOM 0 H SER A 48 -3.907 -6.029 -1.468 1.00 0.00 H new ATOM 0 HA SER A 48 -4.414 -8.716 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.178 -6.271 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.583 -7.698 0.001 1.00 0.00 H new ATOM 0 HG SER A 48 -5.353 -7.014 1.596 1.00 0.00 H new ATOM 865 N LEU B 9 15.781 6.753 -3.867 1.00 0.00 N ATOM 866 CA LEU B 9 14.967 5.721 -3.236 1.00 0.00 C ATOM 867 C LEU B 9 15.550 4.316 -3.338 1.00 0.00 C ATOM 868 O LEU B 9 15.187 3.486 -2.505 1.00 0.00 O ATOM 869 CB LEU B 9 13.543 5.753 -3.809 1.00 0.00 C ATOM 870 CG LEU B 9 12.553 6.416 -2.838 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.672 7.944 -2.794 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.138 6.039 -3.261 1.00 0.00 C ATOM 0 HA LEU B 9 14.951 5.956 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.544 6.295 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.215 4.736 -4.025 1.00 0.00 H new ATOM 0 HG LEU B 9 12.788 6.055 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU B 9 11.944 8.345 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.677 8.222 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.480 8.353 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.420 6.501 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU B 9 10.956 6.391 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.024 4.955 -3.227 1.00 0.00 H new ATOM 884 N SER B 10 16.441 4.025 -4.295 1.00 0.00 N ATOM 885 CA SER B 10 17.012 2.684 -4.417 1.00 0.00 C ATOM 886 C SER B 10 17.689 2.256 -3.116 1.00 0.00 C ATOM 887 O SER B 10 17.507 1.126 -2.683 1.00 0.00 O ATOM 888 CB SER B 10 17.965 2.598 -5.615 1.00 0.00 C ATOM 889 OG SER B 10 18.890 3.670 -5.638 1.00 0.00 O ATOM 0 H SER B 10 16.777 4.694 -4.987 1.00 0.00 H new ATOM 0 HA SER B 10 16.198 1.983 -4.602 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.507 1.653 -5.579 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.386 2.599 -6.539 1.00 0.00 H new ATOM 0 HG SER B 10 19.479 3.577 -6.415 1.00 0.00 H new ATOM 895 N SER B 11 18.384 3.178 -2.448 1.00 0.00 N ATOM 896 CA SER B 11 19.100 2.964 -1.199 1.00 0.00 C ATOM 897 C SER B 11 18.197 2.382 -0.100 1.00 0.00 C ATOM 898 O SER B 11 18.667 1.636 0.757 1.00 0.00 O ATOM 899 CB SER B 11 19.706 4.312 -0.772 1.00 0.00 C ATOM 900 OG SER B 11 20.126 5.062 -1.908 1.00 0.00 O ATOM 0 H SER B 11 18.464 4.138 -2.783 1.00 0.00 H new ATOM 0 HA SER B 11 19.886 2.225 -1.353 1.00 0.00 H new ATOM 0 HB2 SER B 11 18.970 4.883 -0.206 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.555 4.141 -0.110 1.00 0.00 H new ATOM 0 HG SER B 11 20.506 5.916 -1.614 1.00 0.00 H new ATOM 906 N GLU B 12 16.904 2.727 -0.094 1.00 0.00 N ATOM 907 CA GLU B 12 15.963 2.217 0.895 1.00 0.00 C ATOM 908 C GLU B 12 15.402 0.865 0.440 1.00 0.00 C ATOM 909 O GLU B 12 14.980 0.081 1.287 1.00 0.00 O ATOM 910 CB GLU B 12 14.852 3.231 1.172 1.00 0.00 C ATOM 911 CG GLU B 12 15.351 4.515 1.854 1.00 0.00 C ATOM 912 CD GLU B 12 15.696 4.353 3.342 1.00 0.00 C ATOM 913 OE1 GLU B 12 14.788 4.049 4.151 1.00 0.00 O ATOM 914 OE2 GLU B 12 16.849 4.650 3.738 1.00 0.00 O ATOM 0 H GLU B 12 16.488 3.364 -0.773 1.00 0.00 H new ATOM 0 HA GLU B 12 16.492 2.062 1.835 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.367 3.493 0.232 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.094 2.765 1.802 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.235 4.872 1.326 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.587 5.286 1.753 1.00 0.00 H new ATOM 921 N ILE B 13 15.378 0.565 -0.866 1.00 0.00 N ATOM 922 CA ILE B 13 14.895 -0.725 -1.359 1.00 0.00 C ATOM 923 C ILE B 13 15.878 -1.769 -0.832 1.00 0.00 C ATOM 924 O ILE B 13 15.451 -2.789 -0.304 1.00 0.00 O ATOM 925 CB ILE B 13 14.772 -0.773 -2.899 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.698 0.232 -3.362 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.453 -2.203 -3.379 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.429 0.185 -4.867 1.00 0.00 C ATOM 0 H ILE B 13 15.689 1.203 -1.599 1.00 0.00 H new ATOM 0 HA ILE B 13 13.882 -0.915 -1.003 1.00 0.00 H new ATOM 0 HB ILE B 13 15.726 -0.490 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.769 0.031 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.012 1.239 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.371 -2.212 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.252 -2.877 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.510 -2.532 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.663 0.917 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.347 0.415 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.085 -0.811 -5.144 1.00 0.00 H new ATOM 940 N GLU B 14 17.181 -1.485 -0.877 1.00 0.00 N ATOM 941 CA GLU B 14 18.220 -2.390 -0.393 1.00 0.00 C ATOM 942 C GLU B 14 17.996 -2.704 1.092 1.00 0.00 C ATOM 943 O GLU B 14 18.262 -3.817 1.556 1.00 0.00 O ATOM 944 CB GLU B 14 19.612 -1.759 -0.572 1.00 0.00 C ATOM 945 CG GLU B 14 19.915 -1.231 -1.976 1.00 0.00 C ATOM 946 CD GLU B 14 19.623 -2.221 -3.098 1.00 0.00 C ATOM 947 OE1 GLU B 14 18.453 -2.395 -3.487 1.00 0.00 O ATOM 948 OE2 GLU B 14 20.583 -2.749 -3.703 1.00 0.00 O ATOM 0 H GLU B 14 17.546 -0.611 -1.255 1.00 0.00 H new ATOM 0 HA GLU B 14 18.167 -3.311 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.714 -0.938 0.137 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.366 -2.502 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.330 -0.327 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU B 14 20.966 -0.945 -2.025 1.00 0.00 H new ATOM 955 N ARG B 15 17.524 -1.709 1.855 1.00 0.00 N ATOM 956 CA ARG B 15 17.248 -1.848 3.283 1.00 0.00 C ATOM 957 C ARG B 15 15.996 -2.705 3.450 1.00 0.00 C ATOM 958 O ARG B 15 15.959 -3.577 4.318 1.00 0.00 O ATOM 959 CB ARG B 15 17.123 -0.451 3.913 1.00 0.00 C ATOM 960 CG ARG B 15 18.505 0.225 3.984 1.00 0.00 C ATOM 961 CD ARG B 15 18.391 1.731 4.227 1.00 0.00 C ATOM 962 NE ARG B 15 19.698 2.312 4.561 1.00 0.00 N ATOM 963 CZ ARG B 15 19.898 3.442 5.242 1.00 0.00 C ATOM 964 NH1 ARG B 15 18.876 4.217 5.589 1.00 0.00 N ATOM 965 NH2 ARG B 15 21.129 3.830 5.529 1.00 0.00 N ATOM 0 H ARG B 15 17.323 -0.778 1.491 1.00 0.00 H new ATOM 0 HA ARG B 15 18.061 -2.352 3.806 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.440 0.162 3.325 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.698 -0.532 4.913 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.090 -0.229 4.784 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.045 0.047 3.054 1.00 0.00 H new ATOM 0 HD2 ARG B 15 17.990 2.217 3.338 1.00 0.00 H new ATOM 0 HD3 ARG B 15 17.687 1.920 5.038 1.00 0.00 H new ATOM 0 HE ARG B 15 20.526 1.807 4.244 1.00 0.00 H new ATOM 0 HH11 ARG B 15 17.925 3.951 5.335 1.00 0.00 H new ATOM 0 HH12 ARG B 15 19.043 5.078 6.110 1.00 0.00 H new ATOM 0 HH21 ARG B 15 21.924 3.266 5.230 1.00 0.00 H new ATOM 0 HH22 ARG B 15 21.283 4.694 6.049 1.00 0.00 H new ATOM 979 N LEU B 16 14.981 -2.496 2.610 1.00 0.00 N ATOM 980 CA LEU B 16 13.743 -3.264 2.641 1.00 0.00 C ATOM 981 C LEU B 16 14.046 -4.716 2.261 1.00 0.00 C ATOM 982 O LEU B 16 13.468 -5.626 2.852 1.00 0.00 O ATOM 983 CB LEU B 16 12.685 -2.621 1.730 1.00 0.00 C ATOM 984 CG LEU B 16 12.100 -1.330 2.330 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.260 -0.590 1.286 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.215 -1.626 3.543 1.00 0.00 C ATOM 0 H LEU B 16 14.999 -1.781 1.883 1.00 0.00 H new ATOM 0 HA LEU B 16 13.324 -3.261 3.647 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.131 -2.398 0.761 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.880 -3.334 1.554 1.00 0.00 H new ATOM 0 HG LEU B 16 12.941 -0.712 2.644 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.853 0.321 1.725 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.886 -0.332 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.442 -1.231 0.957 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.819 -0.692 3.941 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.390 -2.271 3.242 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.805 -2.126 4.311 1.00 0.00 H new ATOM 998 N MET B 17 14.973 -4.967 1.330 1.00 0.00 N ATOM 999 CA MET B 17 15.346 -6.326 0.952 1.00 0.00 C ATOM 1000 C MET B 17 15.898 -7.012 2.201 1.00 0.00 C ATOM 1001 O MET B 17 15.596 -8.184 2.430 1.00 0.00 O ATOM 1002 CB MET B 17 16.419 -6.350 -0.141 1.00 0.00 C ATOM 1003 CG MET B 17 15.873 -5.988 -1.515 1.00 0.00 C ATOM 1004 SD MET B 17 17.136 -6.158 -2.795 1.00 0.00 S ATOM 1005 CE MET B 17 16.095 -5.857 -4.229 1.00 0.00 C ATOM 0 H MET B 17 15.479 -4.239 0.825 1.00 0.00 H new ATOM 0 HA MET B 17 14.467 -6.835 0.556 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.215 -5.654 0.123 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.865 -7.344 -0.183 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.025 -6.631 -1.752 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.502 -4.963 -1.502 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.579 -6.256 -5.120 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.132 -6.348 -4.089 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.941 -4.785 -4.348 1.00 0.00 H new ATOM 1015 N SER B 18 16.668 -6.281 3.017 1.00 0.00 N ATOM 1016 CA SER B 18 17.245 -6.783 4.251 1.00 0.00 C ATOM 1017 C SER B 18 16.123 -7.235 5.197 1.00 0.00 C ATOM 1018 O SER B 18 16.282 -8.258 5.861 1.00 0.00 O ATOM 1019 CB SER B 18 18.146 -5.704 4.865 1.00 0.00 C ATOM 1020 OG SER B 18 19.216 -6.302 5.561 1.00 0.00 O ATOM 0 H SER B 18 16.906 -5.308 2.826 1.00 0.00 H new ATOM 0 HA SER B 18 17.870 -7.655 4.059 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.532 -5.052 4.081 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.566 -5.078 5.543 1.00 0.00 H new ATOM 0 HG SER B 18 19.786 -5.604 5.947 1.00 0.00 H new ATOM 1026 N GLN B 19 14.991 -6.519 5.250 1.00 0.00 N ATOM 1027 CA GLN B 19 13.843 -6.876 6.090 1.00 0.00 C ATOM 1028 C GLN B 19 13.138 -8.140 5.564 1.00 0.00 C ATOM 1029 O GLN B 19 12.232 -8.649 6.214 1.00 0.00 O ATOM 1030 CB GLN B 19 12.876 -5.689 6.237 1.00 0.00 C ATOM 1031 CG GLN B 19 13.455 -4.585 7.136 1.00 0.00 C ATOM 1032 CD GLN B 19 12.501 -3.401 7.299 1.00 0.00 C ATOM 1033 OE1 GLN B 19 12.796 -2.281 6.888 1.00 0.00 O ATOM 1034 NE2 GLN B 19 11.355 -3.575 7.935 1.00 0.00 N ATOM 0 H GLN B 19 14.847 -5.669 4.706 1.00 0.00 H new ATOM 0 HA GLN B 19 14.213 -7.113 7.088 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.655 -5.277 5.252 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.932 -6.039 6.655 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.682 -5.002 8.117 1.00 0.00 H new ATOM 0 HG3 GLN B 19 14.396 -4.233 6.713 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.099 -4.500 8.281 1.00 0.00 H new ATOM 0 HE22 GLN B 19 10.727 -2.784 8.080 1.00 0.00 H new ATOM 1043 N GLY B 20 13.540 -8.656 4.401 1.00 0.00 N ATOM 1044 CA GLY B 20 13.009 -9.855 3.779 1.00 0.00 C ATOM 1045 C GLY B 20 11.919 -9.605 2.747 1.00 0.00 C ATOM 1046 O GLY B 20 11.493 -10.556 2.094 1.00 0.00 O ATOM 0 H GLY B 20 14.279 -8.224 3.847 1.00 0.00 H new ATOM 0 HA2 GLY B 20 13.827 -10.393 3.300 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.611 -10.506 4.557 1.00 0.00 H new ATOM 1050 N TYR B 21 11.476 -8.360 2.564 1.00 0.00 N ATOM 1051 CA TYR B 21 10.435 -8.037 1.595 1.00 0.00 C ATOM 1052 C TYR B 21 10.885 -8.382 0.174 1.00 0.00 C ATOM 1053 O TYR B 21 12.073 -8.251 -0.152 1.00 0.00 O ATOM 1054 CB TYR B 21 10.108 -6.542 1.662 1.00 0.00 C ATOM 1055 CG TYR B 21 9.630 -6.039 3.001 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.420 -6.503 3.531 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.335 -5.035 3.682 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.926 -5.943 4.721 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.837 -4.470 4.867 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.604 -4.900 5.386 1.00 0.00 C ATOM 1061 OH TYR B 21 8.042 -4.269 6.457 1.00 0.00 O ATOM 0 H TYR B 21 11.828 -7.554 3.081 1.00 0.00 H new ATOM 0 HA TYR B 21 9.551 -8.626 1.840 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.999 -5.981 1.380 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.343 -6.322 0.917 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.871 -7.286 3.029 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.279 -4.690 3.287 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.004 -6.321 5.137 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.401 -3.705 5.379 1.00 0.00 H new ATOM 0 HH TYR B 21 7.071 -4.221 6.335 1.00 0.00 H new ATOM 1071 N SER B 22 9.948 -8.824 -0.664 1.00 0.00 N ATOM 1072 CA SER B 22 10.225 -9.168 -2.051 1.00 0.00 C ATOM 1073 C SER B 22 10.319 -7.879 -2.865 1.00 0.00 C ATOM 1074 O SER B 22 9.576 -6.932 -2.612 1.00 0.00 O ATOM 1075 CB SER B 22 9.104 -10.062 -2.580 1.00 0.00 C ATOM 1076 OG SER B 22 9.031 -11.270 -1.835 1.00 0.00 O ATOM 0 H SER B 22 8.973 -8.953 -0.395 1.00 0.00 H new ATOM 0 HA SER B 22 11.168 -9.709 -2.132 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.152 -9.534 -2.520 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.278 -10.288 -3.632 1.00 0.00 H new ATOM 0 HG SER B 22 8.307 -11.828 -2.187 1.00 0.00 H new ATOM 1082 N TYR B 23 11.202 -7.845 -3.862 1.00 0.00 N ATOM 1083 CA TYR B 23 11.426 -6.698 -4.731 1.00 0.00 C ATOM 1084 C TYR B 23 10.130 -6.260 -5.400 1.00 0.00 C ATOM 1085 O TYR B 23 9.888 -5.059 -5.502 1.00 0.00 O ATOM 1086 CB TYR B 23 12.492 -7.044 -5.772 1.00 0.00 C ATOM 1087 CG TYR B 23 12.864 -5.899 -6.697 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.527 -4.764 -6.192 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.545 -5.964 -8.065 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.922 -3.728 -7.055 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.935 -4.933 -8.934 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.636 -3.812 -8.434 1.00 0.00 C ATOM 1093 OH TYR B 23 13.989 -2.787 -9.261 1.00 0.00 O ATOM 0 H TYR B 23 11.798 -8.641 -4.092 1.00 0.00 H new ATOM 0 HA TYR B 23 11.781 -5.862 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.390 -7.383 -5.255 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.136 -7.880 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR B 23 13.733 -4.689 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR B 23 11.997 -6.812 -8.449 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.444 -2.868 -6.663 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.699 -4.996 -9.986 1.00 0.00 H new ATOM 0 HH TYR B 23 13.722 -3.001 -10.179 1.00 0.00 H new ATOM 1103 N GLN B 24 9.305 -7.221 -5.844 1.00 0.00 N ATOM 1104 CA GLN B 24 8.034 -6.905 -6.477 1.00 0.00 C ATOM 1105 C GLN B 24 7.173 -6.126 -5.487 1.00 0.00 C ATOM 1106 O GLN B 24 6.750 -5.029 -5.819 1.00 0.00 O ATOM 1107 CB GLN B 24 7.298 -8.159 -6.975 1.00 0.00 C ATOM 1108 CG GLN B 24 7.876 -8.715 -8.283 1.00 0.00 C ATOM 1109 CD GLN B 24 6.804 -9.434 -9.102 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.373 -10.530 -8.764 1.00 0.00 O ATOM 1111 NE2 GLN B 24 6.348 -8.850 -10.199 1.00 0.00 N ATOM 0 H GLN B 24 9.503 -8.219 -5.772 1.00 0.00 H new ATOM 0 HA GLN B 24 8.231 -6.298 -7.360 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.346 -8.931 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.245 -7.921 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.301 -7.901 -8.871 1.00 0.00 H new ATOM 0 HG3 GLN B 24 8.690 -9.405 -8.059 1.00 0.00 H new ATOM 0 HE21 GLN B 24 6.708 -7.938 -10.478 1.00 0.00 H new ATOM 0 HE22 GLN B 24 5.636 -9.312 -10.765 1.00 0.00 H new ATOM 1120 N ASP B 25 6.936 -6.648 -4.280 1.00 0.00 N ATOM 1121 CA ASP B 25 6.117 -5.973 -3.269 1.00 0.00 C ATOM 1122 C ASP B 25 6.697 -4.594 -2.947 1.00 0.00 C ATOM 1123 O ASP B 25 5.944 -3.627 -2.855 1.00 0.00 O ATOM 1124 CB ASP B 25 5.990 -6.814 -1.991 1.00 0.00 C ATOM 1125 CG ASP B 25 5.185 -8.097 -2.204 1.00 0.00 C ATOM 1126 OD1 ASP B 25 3.965 -8.031 -2.488 1.00 0.00 O ATOM 1127 OD2 ASP B 25 5.773 -9.186 -2.040 1.00 0.00 O ATOM 0 H ASP B 25 7.306 -7.549 -3.977 1.00 0.00 H new ATOM 0 HA ASP B 25 5.116 -5.848 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP B 25 6.986 -7.071 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP B 25 5.514 -6.216 -1.214 1.00 0.00 H new ATOM 1132 N ILE B 26 8.022 -4.466 -2.797 1.00 0.00 N ATOM 1133 CA ILE B 26 8.651 -3.179 -2.497 1.00 0.00 C ATOM 1134 C ILE B 26 8.317 -2.178 -3.607 1.00 0.00 C ATOM 1135 O ILE B 26 7.823 -1.084 -3.323 1.00 0.00 O ATOM 1136 CB ILE B 26 10.181 -3.304 -2.282 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.551 -4.185 -1.068 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.782 -1.897 -2.083 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.003 -4.693 -1.134 1.00 0.00 C ATOM 0 H ILE B 26 8.678 -5.242 -2.879 1.00 0.00 H new ATOM 0 HA ILE B 26 8.246 -2.813 -1.553 1.00 0.00 H new ATOM 0 HB ILE B 26 10.590 -3.787 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.410 -3.613 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.872 -5.037 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.858 -1.979 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.585 -1.289 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.327 -1.427 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.214 -5.307 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.139 -5.289 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.685 -3.843 -1.154 1.00 0.00 H new ATOM 1151 N GLN B 27 8.604 -2.532 -4.861 1.00 0.00 N ATOM 1152 CA GLN B 27 8.338 -1.661 -5.991 1.00 0.00 C ATOM 1153 C GLN B 27 6.839 -1.382 -6.120 1.00 0.00 C ATOM 1154 O GLN B 27 6.472 -0.218 -6.187 1.00 0.00 O ATOM 1155 CB GLN B 27 8.978 -2.217 -7.273 1.00 0.00 C ATOM 1156 CG GLN B 27 10.522 -2.187 -7.229 1.00 0.00 C ATOM 1157 CD GLN B 27 11.131 -0.796 -7.457 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.653 0.221 -6.963 1.00 0.00 O ATOM 1159 NE2 GLN B 27 12.223 -0.702 -8.200 1.00 0.00 N ATOM 0 H GLN B 27 9.025 -3.426 -5.114 1.00 0.00 H new ATOM 0 HA GLN B 27 8.809 -0.694 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.643 -3.243 -7.426 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.631 -1.637 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.854 -2.563 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.909 -2.869 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN B 27 12.630 -1.539 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.657 0.208 -8.356 1.00 0.00 H new ATOM 1168 N LYS B 28 5.955 -2.385 -6.099 1.00 0.00 N ATOM 1169 CA LYS B 28 4.499 -2.197 -6.205 1.00 0.00 C ATOM 1170 C LYS B 28 4.019 -1.202 -5.145 1.00 0.00 C ATOM 1171 O LYS B 28 3.151 -0.373 -5.418 1.00 0.00 O ATOM 1172 CB LYS B 28 3.773 -3.549 -6.064 1.00 0.00 C ATOM 1173 CG LYS B 28 4.024 -4.502 -7.249 1.00 0.00 C ATOM 1174 CD LYS B 28 3.786 -5.977 -6.893 1.00 0.00 C ATOM 1175 CE LYS B 28 2.314 -6.354 -6.707 1.00 0.00 C ATOM 1176 NZ LYS B 28 1.589 -6.409 -7.988 1.00 0.00 N ATOM 0 H LYS B 28 6.231 -3.363 -6.007 1.00 0.00 H new ATOM 0 HA LYS B 28 4.264 -1.789 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.097 -4.033 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.702 -3.370 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.371 -4.224 -8.077 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.050 -4.379 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.212 -6.601 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.326 -6.208 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS B 28 2.248 -7.323 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS B 28 1.835 -5.628 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.597 -6.668 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 1.628 -5.478 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.029 -7.120 -8.606 1.00 0.00 H new ATOM 1190 N ALA B 29 4.576 -1.273 -3.935 1.00 0.00 N ATOM 1191 CA ALA B 29 4.220 -0.371 -2.849 1.00 0.00 C ATOM 1192 C ALA B 29 4.673 1.026 -3.245 1.00 0.00 C ATOM 1193 O ALA B 29 3.885 1.959 -3.185 1.00 0.00 O ATOM 1194 CB ALA B 29 4.839 -0.779 -1.507 1.00 0.00 C ATOM 0 H ALA B 29 5.287 -1.960 -3.684 1.00 0.00 H new ATOM 0 HA ALA B 29 3.141 -0.408 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.538 -0.069 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.494 -1.777 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.926 -0.781 -1.593 1.00 0.00 H new ATOM 1200 N LEU B 30 5.931 1.180 -3.666 1.00 0.00 N ATOM 1201 CA LEU B 30 6.493 2.460 -4.083 1.00 0.00 C ATOM 1202 C LEU B 30 5.763 3.076 -5.270 1.00 0.00 C ATOM 1203 O LEU B 30 5.774 4.299 -5.406 1.00 0.00 O ATOM 1204 CB LEU B 30 7.982 2.301 -4.429 1.00 0.00 C ATOM 1205 CG LEU B 30 8.895 2.219 -3.200 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.325 1.892 -3.640 1.00 0.00 C ATOM 1207 CD2 LEU B 30 8.880 3.564 -2.468 1.00 0.00 C ATOM 0 H LEU B 30 6.594 0.407 -3.726 1.00 0.00 H new ATOM 0 HA LEU B 30 6.370 3.138 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.112 1.400 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.294 3.143 -5.047 1.00 0.00 H new ATOM 0 HG LEU B 30 8.536 1.435 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.971 1.835 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.335 0.935 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.688 2.673 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.528 3.509 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.238 4.346 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.863 3.795 -2.152 1.00 0.00 H new ATOM 1219 N VAL B 31 5.164 2.273 -6.143 1.00 0.00 N ATOM 1220 CA VAL B 31 4.423 2.741 -7.302 1.00 0.00 C ATOM 1221 C VAL B 31 3.133 3.378 -6.791 1.00 0.00 C ATOM 1222 O VAL B 31 2.891 4.566 -6.997 1.00 0.00 O ATOM 1223 CB VAL B 31 4.172 1.547 -8.252 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.150 1.835 -9.356 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.477 1.105 -8.930 1.00 0.00 C ATOM 0 H VAL B 31 5.182 1.257 -6.060 1.00 0.00 H new ATOM 0 HA VAL B 31 4.972 3.489 -7.874 1.00 0.00 H new ATOM 0 HB VAL B 31 3.769 0.762 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.029 0.950 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.192 2.095 -8.906 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.501 2.666 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.276 0.264 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.885 1.934 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.198 0.803 -8.170 1.00 0.00 H new ATOM 1235 N ILE B 32 2.334 2.597 -6.068 1.00 0.00 N ATOM 1236 CA ILE B 32 1.048 3.013 -5.523 1.00 0.00 C ATOM 1237 C ILE B 32 1.227 4.132 -4.490 1.00 0.00 C ATOM 1238 O ILE B 32 0.362 4.991 -4.355 1.00 0.00 O ATOM 1239 CB ILE B 32 0.314 1.766 -4.996 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.115 0.725 -6.130 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -1.046 2.159 -4.402 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.147 -0.693 -5.630 1.00 0.00 C ATOM 0 H ILE B 32 2.571 1.632 -5.840 1.00 0.00 H new ATOM 0 HA ILE B 32 0.419 3.453 -6.296 1.00 0.00 H new ATOM 0 HB ILE B 32 0.926 1.316 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.721 1.039 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.002 0.718 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.553 1.267 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.895 2.857 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.656 2.632 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.275 -1.361 -6.482 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.698 -1.029 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.051 -0.703 -5.022 1.00 0.00 H new ATOM 1254 N ALA B 33 2.360 4.174 -3.785 1.00 0.00 N ATOM 1255 CA ALA B 33 2.652 5.206 -2.807 1.00 0.00 C ATOM 1256 C ALA B 33 3.117 6.495 -3.503 1.00 0.00 C ATOM 1257 O ALA B 33 3.433 7.467 -2.816 1.00 0.00 O ATOM 1258 CB ALA B 33 3.700 4.725 -1.806 1.00 0.00 C ATOM 0 H ALA B 33 3.103 3.482 -3.883 1.00 0.00 H new ATOM 0 HA ALA B 33 1.735 5.424 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.902 5.515 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.328 3.843 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.619 4.473 -2.335 1.00 0.00 H new ATOM 1264 N HIS B 34 3.165 6.525 -4.840 1.00 0.00 N ATOM 1265 CA HIS B 34 3.593 7.641 -5.671 1.00 0.00 C ATOM 1266 C HIS B 34 5.015 8.045 -5.261 1.00 0.00 C ATOM 1267 O HIS B 34 5.260 9.177 -4.849 1.00 0.00 O ATOM 1268 CB HIS B 34 2.593 8.815 -5.627 1.00 0.00 C ATOM 1269 CG HIS B 34 1.155 8.571 -6.031 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.210 9.568 -6.127 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.536 7.388 -6.350 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.957 9.001 -6.477 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.806 7.673 -6.640 1.00 0.00 N ATOM 0 H HIS B 34 2.888 5.718 -5.398 1.00 0.00 H new ATOM 0 HA HIS B 34 3.611 7.330 -6.716 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.587 9.204 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.985 9.605 -6.268 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.999 6.413 -6.373 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.886 9.536 -6.609 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.526 7.006 -6.919 1.00 0.00 H new ATOM 1281 N ASN B 35 5.962 7.108 -5.364 1.00 0.00 N ATOM 1282 CA ASN B 35 7.383 7.262 -5.027 1.00 0.00 C ATOM 1283 C ASN B 35 7.629 7.649 -3.554 1.00 0.00 C ATOM 1284 O ASN B 35 8.722 8.105 -3.216 1.00 0.00 O ATOM 1285 CB ASN B 35 8.102 8.215 -6.009 1.00 0.00 C ATOM 1286 CG ASN B 35 8.097 7.748 -7.464 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.151 8.009 -8.207 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.136 7.075 -7.921 1.00 0.00 N ATOM 0 H ASN B 35 5.748 6.170 -5.703 1.00 0.00 H new ATOM 0 HA ASN B 35 7.828 6.274 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.630 9.196 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.135 8.339 -5.684 1.00 0.00 H new ATOM 0 HD21 ASN B 35 9.158 6.769 -8.894 1.00 0.00 H new ATOM 0 HD22 ASN B 35 9.918 6.861 -7.302 1.00 0.00 H new ATOM 1295 N ASN B 36 6.650 7.493 -2.655 1.00 0.00 N ATOM 1296 CA ASN B 36 6.811 7.821 -1.237 1.00 0.00 C ATOM 1297 C ASN B 36 7.241 6.560 -0.488 1.00 0.00 C ATOM 1298 O ASN B 36 6.429 5.662 -0.266 1.00 0.00 O ATOM 1299 CB ASN B 36 5.540 8.445 -0.655 1.00 0.00 C ATOM 1300 CG ASN B 36 5.733 8.914 0.785 1.00 0.00 C ATOM 1301 OD1 ASN B 36 6.546 8.380 1.530 1.00 0.00 O ATOM 1302 ND2 ASN B 36 4.958 9.890 1.218 1.00 0.00 N ATOM 0 H ASN B 36 5.725 7.136 -2.892 1.00 0.00 H new ATOM 0 HA ASN B 36 7.588 8.577 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.237 9.290 -1.273 1.00 0.00 H new ATOM 0 HB3 ASN B 36 4.730 7.716 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.031 10.209 2.184 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.286 10.326 0.587 1.00 0.00 H new ATOM 1309 N ILE B 37 8.525 6.474 -0.139 1.00 0.00 N ATOM 1310 CA ILE B 37 9.112 5.344 0.577 1.00 0.00 C ATOM 1311 C ILE B 37 8.522 5.166 1.975 1.00 0.00 C ATOM 1312 O ILE B 37 8.327 4.035 2.401 1.00 0.00 O ATOM 1313 CB ILE B 37 10.655 5.485 0.594 1.00 0.00 C ATOM 1314 CG1 ILE B 37 11.396 4.300 1.255 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.121 6.793 1.261 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.472 3.026 0.405 1.00 0.00 C ATOM 0 H ILE B 37 9.201 7.207 -0.352 1.00 0.00 H new ATOM 0 HA ILE B 37 8.858 4.428 0.043 1.00 0.00 H new ATOM 0 HB ILE B 37 10.921 5.495 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE B 37 12.410 4.616 1.499 1.00 0.00 H new ATOM 0 HG13 ILE B 37 10.901 4.061 2.196 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.210 6.841 1.246 1.00 0.00 H new ATOM 0 HG22 ILE B 37 10.713 7.645 0.717 1.00 0.00 H new ATOM 0 HG23 ILE B 37 10.771 6.820 2.293 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.010 2.253 0.955 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.464 2.677 0.181 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.996 3.241 -0.526 1.00 0.00 H new ATOM 1328 N GLU B 38 8.231 6.245 2.694 1.00 0.00 N ATOM 1329 CA GLU B 38 7.687 6.193 4.051 1.00 0.00 C ATOM 1330 C GLU B 38 6.288 5.588 4.029 1.00 0.00 C ATOM 1331 O GLU B 38 5.979 4.673 4.796 1.00 0.00 O ATOM 1332 CB GLU B 38 7.755 7.590 4.690 1.00 0.00 C ATOM 1333 CG GLU B 38 9.201 8.114 4.545 1.00 0.00 C ATOM 1334 CD GLU B 38 9.630 9.154 5.572 1.00 0.00 C ATOM 1335 OE1 GLU B 38 9.832 8.763 6.747 1.00 0.00 O ATOM 1336 OE2 GLU B 38 9.928 10.303 5.166 1.00 0.00 O ATOM 0 H GLU B 38 8.367 7.195 2.348 1.00 0.00 H new ATOM 0 HA GLU B 38 8.288 5.538 4.682 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.054 8.267 4.201 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.471 7.542 5.741 1.00 0.00 H new ATOM 0 HG2 GLU B 38 9.883 7.266 4.606 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.315 8.544 3.550 1.00 0.00 H new ATOM 1343 N MET B 39 5.475 6.053 3.086 1.00 0.00 N ATOM 1344 CA MET B 39 4.116 5.608 2.860 1.00 0.00 C ATOM 1345 C MET B 39 4.186 4.140 2.438 1.00 0.00 C ATOM 1346 O MET B 39 3.495 3.302 3.010 1.00 0.00 O ATOM 1347 CB MET B 39 3.508 6.528 1.797 1.00 0.00 C ATOM 1348 CG MET B 39 1.986 6.561 1.704 1.00 0.00 C ATOM 1349 SD MET B 39 1.440 8.100 0.880 1.00 0.00 S ATOM 1350 CE MET B 39 -0.369 8.131 1.061 1.00 0.00 C ATOM 0 H MET B 39 5.764 6.782 2.433 1.00 0.00 H new ATOM 0 HA MET B 39 3.479 5.664 3.743 1.00 0.00 H new ATOM 0 HB2 MET B 39 3.859 7.543 1.985 1.00 0.00 H new ATOM 0 HB3 MET B 39 3.901 6.230 0.825 1.00 0.00 H new ATOM 0 HG2 MET B 39 1.629 5.695 1.147 1.00 0.00 H new ATOM 0 HG3 MET B 39 1.551 6.500 2.702 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.772 9.001 0.543 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.793 7.224 0.630 1.00 0.00 H new ATOM 0 HE3 MET B 39 -0.628 8.186 2.118 1.00 0.00 H new ATOM 1360 N ALA B 40 5.068 3.798 1.490 1.00 0.00 N ATOM 1361 CA ALA B 40 5.231 2.432 1.018 1.00 0.00 C ATOM 1362 C ALA B 40 5.660 1.505 2.161 1.00 0.00 C ATOM 1363 O ALA B 40 5.145 0.392 2.269 1.00 0.00 O ATOM 1364 CB ALA B 40 6.258 2.391 -0.113 1.00 0.00 C ATOM 0 H ALA B 40 5.686 4.468 1.033 1.00 0.00 H new ATOM 0 HA ALA B 40 4.271 2.080 0.641 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.375 1.365 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.917 3.017 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.216 2.762 0.252 1.00 0.00 H new ATOM 1370 N LYS B 41 6.581 1.946 3.029 1.00 0.00 N ATOM 1371 CA LYS B 41 7.056 1.168 4.174 1.00 0.00 C ATOM 1372 C LYS B 41 5.875 0.792 5.060 1.00 0.00 C ATOM 1373 O LYS B 41 5.905 -0.283 5.654 1.00 0.00 O ATOM 1374 CB LYS B 41 8.058 1.977 5.015 1.00 0.00 C ATOM 1375 CG LYS B 41 9.500 1.951 4.507 1.00 0.00 C ATOM 1376 CD LYS B 41 10.374 2.955 5.272 1.00 0.00 C ATOM 1377 CE LYS B 41 11.801 2.941 4.716 1.00 0.00 C ATOM 1378 NZ LYS B 41 12.827 3.048 5.772 1.00 0.00 N ATOM 0 H LYS B 41 7.020 2.864 2.952 1.00 0.00 H new ATOM 0 HA LYS B 41 7.550 0.274 3.793 1.00 0.00 H new ATOM 0 HB2 LYS B 41 7.722 3.013 5.055 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.042 1.597 6.036 1.00 0.00 H new ATOM 0 HG2 LYS B 41 9.910 0.947 4.619 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.518 2.185 3.443 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.952 3.956 5.186 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.386 2.704 6.333 1.00 0.00 H new ATOM 0 HE2 LYS B 41 11.958 2.020 4.155 1.00 0.00 H new ATOM 0 HE3 LYS B 41 11.921 3.766 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 13.680 3.497 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 12.460 3.624 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.065 2.098 6.123 1.00 0.00 H new ATOM 1392 N ASN B 42 4.877 1.672 5.173 1.00 0.00 N ATOM 1393 CA ASN B 42 3.686 1.443 5.979 1.00 0.00 C ATOM 1394 C ASN B 42 2.833 0.360 5.333 1.00 0.00 C ATOM 1395 O ASN B 42 2.326 -0.493 6.056 1.00 0.00 O ATOM 1396 CB ASN B 42 2.901 2.743 6.193 1.00 0.00 C ATOM 1397 CG ASN B 42 3.723 3.776 6.939 1.00 0.00 C ATOM 1398 OD1 ASN B 42 4.577 3.433 7.756 1.00 0.00 O ATOM 1399 ND2 ASN B 42 3.507 5.052 6.682 1.00 0.00 N ATOM 0 H ASN B 42 4.878 2.575 4.699 1.00 0.00 H new ATOM 0 HA ASN B 42 3.986 1.097 6.968 1.00 0.00 H new ATOM 0 HB2 ASN B 42 2.596 3.148 5.228 1.00 0.00 H new ATOM 0 HB3 ASN B 42 1.989 2.530 6.751 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.051 5.768 7.163 1.00 0.00 H new ATOM 0 HD22 ASN B 42 2.796 5.322 6.002 1.00 0.00 H new ATOM 1406 N ILE B 43 2.683 0.360 4.001 1.00 0.00 N ATOM 1407 CA ILE B 43 1.914 -0.664 3.281 1.00 0.00 C ATOM 1408 C ILE B 43 2.592 -2.000 3.609 1.00 0.00 C ATOM 1409 O ILE B 43 1.953 -2.947 4.061 1.00 0.00 O ATOM 1410 CB ILE B 43 1.855 -0.390 1.754 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.359 1.042 1.452 1.00 0.00 C ATOM 1412 CG2 ILE B 43 0.948 -1.430 1.075 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.314 1.445 -0.024 1.00 0.00 C ATOM 0 H ILE B 43 3.091 1.070 3.393 1.00 0.00 H new ATOM 0 HA ILE B 43 0.870 -0.667 3.596 1.00 0.00 H new ATOM 0 HB ILE B 43 2.865 -0.476 1.353 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.358 1.152 1.868 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.003 1.746 1.980 1.00 0.00 H new ATOM 0 HG21 ILE B 43 0.909 -1.234 0.003 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.348 -2.429 1.247 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -0.057 -1.364 1.493 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.951 2.469 -0.111 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.315 1.378 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.644 0.775 -0.564 1.00 0.00 H new ATOM 1425 N LEU B 44 3.921 -2.053 3.478 1.00 0.00 N ATOM 1426 CA LEU B 44 4.731 -3.231 3.767 1.00 0.00 C ATOM 1427 C LEU B 44 4.739 -3.595 5.263 1.00 0.00 C ATOM 1428 O LEU B 44 5.454 -4.516 5.652 1.00 0.00 O ATOM 1429 CB LEU B 44 6.175 -3.003 3.280 1.00 0.00 C ATOM 1430 CG LEU B 44 6.358 -2.806 1.766 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.842 -2.548 1.499 1.00 0.00 C ATOM 1432 CD2 LEU B 44 5.906 -4.021 0.951 1.00 0.00 C ATOM 0 H LEU B 44 4.473 -1.256 3.160 1.00 0.00 H new ATOM 0 HA LEU B 44 4.280 -4.068 3.234 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.574 -2.126 3.790 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.780 -3.855 3.590 1.00 0.00 H new ATOM 0 HG LEU B 44 5.737 -1.965 1.456 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.000 -2.405 0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.158 -1.654 2.036 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.427 -3.402 1.841 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.059 -3.824 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.488 -4.894 1.246 1.00 0.00 H new ATOM 0 HD23 LEU B 44 4.849 -4.211 1.136 1.00 0.00 H new ATOM 1444 N ARG B 45 4.012 -2.885 6.128 1.00 0.00 N ATOM 1445 CA ARG B 45 3.960 -3.143 7.563 1.00 0.00 C ATOM 1446 C ARG B 45 2.545 -3.440 8.049 1.00 0.00 C ATOM 1447 O ARG B 45 2.375 -3.741 9.231 1.00 0.00 O ATOM 1448 CB ARG B 45 4.618 -1.952 8.264 1.00 0.00 C ATOM 1449 CG ARG B 45 5.071 -2.237 9.697 1.00 0.00 C ATOM 1450 CD ARG B 45 6.226 -1.284 10.032 1.00 0.00 C ATOM 1451 NE ARG B 45 6.641 -1.368 11.436 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.325 -2.359 12.013 1.00 0.00 C ATOM 1453 NH1 ARG B 45 7.713 -3.425 11.322 1.00 0.00 N ATOM 1454 NH2 ARG B 45 7.633 -2.277 13.297 1.00 0.00 N ATOM 0 H ARG B 45 3.431 -2.097 5.841 1.00 0.00 H new ATOM 0 HA ARG B 45 4.511 -4.050 7.810 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.481 -1.633 7.679 1.00 0.00 H new ATOM 0 HB3 ARG B 45 3.915 -1.119 8.276 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.245 -2.092 10.393 1.00 0.00 H new ATOM 0 HG3 ARG B 45 5.393 -3.274 9.795 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.078 -1.513 9.391 1.00 0.00 H new ATOM 0 HD3 ARG B 45 5.924 -0.261 9.807 1.00 0.00 H new ATOM 0 HE ARG B 45 6.379 -0.586 12.036 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.489 -3.499 10.330 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.235 -4.170 11.784 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.348 -1.461 13.839 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.155 -3.030 13.745 1.00 0.00 H new ATOM 1468 N GLU B 46 1.547 -3.383 7.167 1.00 0.00 N ATOM 1469 CA GLU B 46 0.143 -3.650 7.472 1.00 0.00 C ATOM 1470 C GLU B 46 -0.533 -4.491 6.366 1.00 0.00 C ATOM 1471 O GLU B 46 -1.747 -4.685 6.431 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.584 -2.310 7.656 1.00 0.00 C ATOM 1473 CG GLU B 46 -0.091 -1.422 8.818 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.500 -1.905 10.210 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -1.722 -2.031 10.462 1.00 0.00 O ATOM 1476 OE2 GLU B 46 0.390 -2.039 11.084 1.00 0.00 O ATOM 0 H GLU B 46 1.700 -3.141 6.188 1.00 0.00 H new ATOM 0 HA GLU B 46 0.086 -4.234 8.391 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -0.496 -1.742 6.730 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.644 -2.513 7.806 1.00 0.00 H new ATOM 0 HG2 GLU B 46 0.996 -1.361 8.775 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.473 -0.412 8.672 1.00 0.00 H new ATOM 1483 N PHE B 47 0.207 -4.948 5.342 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.286 -5.764 4.227 1.00 0.00 C ATOM 1485 C PHE B 47 0.681 -6.922 3.965 1.00 0.00 C ATOM 1486 O PHE B 47 0.348 -8.087 4.205 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.526 -4.948 2.943 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.810 -4.156 2.975 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.873 -2.939 3.681 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.965 -4.674 2.353 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.099 -2.269 3.806 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.183 -3.996 2.486 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.248 -2.802 3.210 1.00 0.00 C ATOM 0 H PHE B 47 1.205 -4.749 5.268 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.259 -6.159 4.520 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.311 -4.266 2.792 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.545 -5.624 2.088 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.980 -2.523 4.125 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.910 -5.587 1.778 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.156 -1.344 4.361 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.075 -4.397 2.028 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.192 -2.287 3.310 1.00 0.00 H new ATOM 1503 N SER B 48 1.879 -6.609 3.458 1.00 0.00 N ATOM 1504 CA SER B 48 2.928 -7.580 3.158 1.00 0.00 C ATOM 1505 C SER B 48 3.552 -8.055 4.485 1.00 0.00 C ATOM 1506 O SER B 48 2.849 -8.562 5.367 1.00 0.00 O ATOM 1507 CB SER B 48 3.911 -6.946 2.160 1.00 0.00 C ATOM 1508 OG SER B 48 3.260 -6.693 0.946 1.00 0.00 O ATOM 0 H SER B 48 2.149 -5.649 3.241 1.00 0.00 H new ATOM 0 HA SER B 48 2.547 -8.478 2.671 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.310 -6.018 2.569 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.758 -7.613 1.997 1.00 0.00 H new ATOM 0 HG SER B 48 2.740 -5.865 1.020 1.00 0.00 H new