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=-0.00357 K(o=-2.2,f=-3.2) USER MOD Set 1.2: A 39 MET CE :methyl 164:sc= -0.837 (180deg=-1.19) USER MOD Set 1.3: B 34 HIS : no HD1:sc= -0.0125 K(o=-2.2,f=-3.2) USER MOD Set 1.4: B 39 MET CE :methyl 175:sc= -1.38 (180deg=-1.54!) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 27 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.7) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 17 MET CE :methyl -151:sc= 0 (180deg=-0.222) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.642 K(o=0.64,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.011) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 36 ASN : amide:sc= -0.0915 K(o=-0.091,f=-8.3!) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0.889 (180deg=0.25) USER MOD Single : A 42 ASN : amide:sc= 0.918 K(o=0.92,f=-0.00084) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -179:sc= 0 (180deg=-0.000681) 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 180:sc= -0.0793 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 28 LYS NZ :NH3+ -140:sc= 0.371 (180deg=0.00235) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.7) USER MOD Single : B 41 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.21) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -16.959 8.990 2.247 1.00 0.00 N ATOM 84 CA LEU A 9 -15.929 7.956 2.077 1.00 0.00 C ATOM 85 C LEU A 9 -16.323 6.614 2.696 1.00 0.00 C ATOM 86 O LEU A 9 -16.028 5.589 2.094 1.00 0.00 O ATOM 87 CB LEU A 9 -14.578 8.459 2.615 1.00 0.00 C ATOM 88 CG LEU A 9 -13.346 7.581 2.325 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.083 8.454 2.343 1.00 0.00 C ATOM 90 CD2 LEU A 9 -13.137 6.449 3.342 1.00 0.00 C ATOM 0 HA LEU A 9 -15.830 7.768 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.394 9.450 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.665 8.577 3.695 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.526 7.127 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.210 7.835 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.165 9.229 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.976 8.919 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.251 5.875 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.004 6.874 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.008 5.794 3.341 1.00 0.00 H new ATOM 102 N SER A 10 -17.036 6.583 3.829 1.00 0.00 N ATOM 103 CA SER A 10 -17.452 5.328 4.468 1.00 0.00 C ATOM 104 C SER A 10 -18.224 4.393 3.519 1.00 0.00 C ATOM 105 O SER A 10 -18.290 3.186 3.750 1.00 0.00 O ATOM 106 CB SER A 10 -18.285 5.620 5.718 1.00 0.00 C ATOM 107 OG SER A 10 -17.498 6.244 6.718 1.00 0.00 O ATOM 0 H SER A 10 -17.339 7.421 4.326 1.00 0.00 H new ATOM 0 HA SER A 10 -16.539 4.803 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.125 6.263 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.703 4.691 6.106 1.00 0.00 H new ATOM 0 HG SER A 10 -18.052 6.422 7.506 1.00 0.00 H new ATOM 113 N SER A 11 -18.833 4.925 2.460 1.00 0.00 N ATOM 114 CA SER A 11 -19.583 4.169 1.467 1.00 0.00 C ATOM 115 C SER A 11 -18.637 3.343 0.585 1.00 0.00 C ATOM 116 O SER A 11 -18.979 2.253 0.136 1.00 0.00 O ATOM 117 CB SER A 11 -20.355 5.166 0.600 1.00 0.00 C ATOM 118 OG SER A 11 -20.936 6.194 1.386 1.00 0.00 O ATOM 0 H SER A 11 -18.815 5.926 2.267 1.00 0.00 H new ATOM 0 HA SER A 11 -20.265 3.481 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.683 5.605 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.136 4.642 0.048 1.00 0.00 H new ATOM 0 HG SER A 11 -21.421 6.816 0.804 1.00 0.00 H new ATOM 124 N GLU A 12 -17.431 3.855 0.344 1.00 0.00 N ATOM 125 CA GLU A 12 -16.402 3.227 -0.472 1.00 0.00 C ATOM 126 C GLU A 12 -15.811 2.012 0.252 1.00 0.00 C ATOM 127 O GLU A 12 -15.396 1.054 -0.405 1.00 0.00 O ATOM 128 CB GLU A 12 -15.310 4.260 -0.772 1.00 0.00 C ATOM 129 CG GLU A 12 -15.795 5.528 -1.498 1.00 0.00 C ATOM 130 CD GLU A 12 -15.746 5.354 -3.013 1.00 0.00 C ATOM 131 OE1 GLU A 12 -16.109 4.279 -3.535 1.00 0.00 O ATOM 132 OE2 GLU A 12 -15.233 6.270 -3.697 1.00 0.00 O ATOM 0 H GLU A 12 -17.136 4.753 0.728 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.839 2.878 -1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.841 4.554 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.539 3.785 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.815 5.759 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.175 6.376 -1.207 1.00 0.00 H new ATOM 139 N ILE A 13 -15.804 2.036 1.595 1.00 0.00 N ATOM 140 CA ILE A 13 -15.301 0.952 2.442 1.00 0.00 C ATOM 141 C ILE A 13 -16.145 -0.285 2.102 1.00 0.00 C ATOM 142 O ILE A 13 -15.614 -1.367 1.864 1.00 0.00 O ATOM 143 CB ILE A 13 -15.368 1.338 3.952 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.626 2.670 4.216 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.791 0.240 4.872 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.595 3.125 5.679 1.00 0.00 C ATOM 0 H ILE A 13 -16.157 2.829 2.130 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.247 0.747 2.253 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.425 1.453 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.600 2.571 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.095 3.452 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.863 0.561 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.357 -0.682 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.746 0.065 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.052 4.067 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.615 3.263 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.096 2.369 6.285 1.00 0.00 H new ATOM 158 N GLU A 14 -17.466 -0.110 2.011 1.00 0.00 N ATOM 159 CA GLU A 14 -18.410 -1.171 1.684 1.00 0.00 C ATOM 160 C GLU A 14 -18.150 -1.704 0.273 1.00 0.00 C ATOM 161 O GLU A 14 -18.358 -2.895 0.032 1.00 0.00 O ATOM 162 CB GLU A 14 -19.852 -0.643 1.730 1.00 0.00 C ATOM 163 CG GLU A 14 -20.251 0.058 3.032 1.00 0.00 C ATOM 164 CD GLU A 14 -20.679 -0.876 4.163 1.00 0.00 C ATOM 165 OE1 GLU A 14 -20.358 -2.085 4.184 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.388 -0.364 5.059 1.00 0.00 O ATOM 0 H GLU A 14 -17.914 0.793 2.167 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.277 -1.966 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.993 0.054 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.533 -1.478 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.409 0.659 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.069 0.747 2.820 1.00 0.00 H new ATOM 173 N ARG A 15 -17.722 -0.847 -0.672 1.00 0.00 N ATOM 174 CA ARG A 15 -17.468 -1.316 -2.035 1.00 0.00 C ATOM 175 C ARG A 15 -16.201 -2.164 -2.052 1.00 0.00 C ATOM 176 O ARG A 15 -16.074 -3.066 -2.879 1.00 0.00 O ATOM 177 CB ARG A 15 -17.399 -0.152 -3.039 1.00 0.00 C ATOM 178 CG ARG A 15 -18.736 0.589 -3.211 1.00 0.00 C ATOM 179 CD ARG A 15 -18.667 1.529 -4.423 1.00 0.00 C ATOM 180 NE ARG A 15 -19.793 2.475 -4.449 1.00 0.00 N ATOM 181 CZ ARG A 15 -20.354 3.045 -5.523 1.00 0.00 C ATOM 182 NH1 ARG A 15 -20.122 2.606 -6.757 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.181 4.058 -5.328 1.00 0.00 N ATOM 0 H ARG A 15 -17.550 0.147 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.305 -1.937 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.639 0.557 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.078 -0.536 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.544 -0.130 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.962 1.160 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.728 2.083 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.667 0.940 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.193 2.726 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.500 1.812 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.566 3.064 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.375 4.383 -4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.625 4.514 -6.125 1.00 0.00 H new ATOM 197 N LEU A 16 -15.232 -1.860 -1.182 1.00 0.00 N ATOM 198 CA LEU A 16 -13.987 -2.616 -1.079 1.00 0.00 C ATOM 199 C LEU A 16 -14.294 -3.974 -0.452 1.00 0.00 C ATOM 200 O LEU A 16 -13.771 -4.987 -0.906 1.00 0.00 O ATOM 201 CB LEU A 16 -12.944 -1.846 -0.252 1.00 0.00 C ATOM 202 CG LEU A 16 -12.178 -0.809 -1.090 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.464 0.180 -0.176 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.168 -1.485 -2.026 1.00 0.00 C ATOM 0 H LEU A 16 -15.293 -1.079 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.562 -2.762 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.442 -1.343 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.236 -2.552 0.182 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.901 -0.273 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.925 0.910 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.196 0.694 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.760 -0.356 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.643 -0.725 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.449 -2.053 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.694 -2.158 -2.704 1.00 0.00 H new ATOM 216 N MET A 17 -15.183 -4.023 0.541 1.00 0.00 N ATOM 217 CA MET A 17 -15.559 -5.271 1.200 1.00 0.00 C ATOM 218 C MET A 17 -16.075 -6.306 0.198 1.00 0.00 C ATOM 219 O MET A 17 -15.824 -7.498 0.362 1.00 0.00 O ATOM 220 CB MET A 17 -16.636 -4.997 2.251 1.00 0.00 C ATOM 221 CG MET A 17 -16.076 -4.339 3.501 1.00 0.00 C ATOM 222 SD MET A 17 -17.348 -4.132 4.769 1.00 0.00 S ATOM 223 CE MET A 17 -16.306 -3.559 6.122 1.00 0.00 C ATOM 0 H MET A 17 -15.661 -3.200 0.909 1.00 0.00 H new ATOM 0 HA MET A 17 -14.667 -5.677 1.677 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.405 -4.355 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.120 -5.935 2.524 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.261 -4.944 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.655 -3.367 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.749 -3.856 7.073 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.314 -4.001 6.030 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.224 -2.473 6.083 1.00 0.00 H new ATOM 233 N SER A 18 -16.770 -5.871 -0.854 1.00 0.00 N ATOM 234 CA SER A 18 -17.318 -6.758 -1.880 1.00 0.00 C ATOM 235 C SER A 18 -16.249 -7.424 -2.756 1.00 0.00 C ATOM 236 O SER A 18 -16.575 -8.343 -3.509 1.00 0.00 O ATOM 237 CB SER A 18 -18.256 -5.976 -2.804 1.00 0.00 C ATOM 238 OG SER A 18 -19.103 -5.077 -2.110 1.00 0.00 O ATOM 0 H SER A 18 -16.970 -4.884 -1.019 1.00 0.00 H new ATOM 0 HA SER A 18 -17.845 -7.542 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 18 -17.661 -5.419 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 -18.868 -6.679 -3.369 1.00 0.00 H new ATOM 0 HG SER A 18 -19.676 -4.607 -2.751 1.00 0.00 H new ATOM 244 N GLN A 19 -14.999 -6.964 -2.683 1.00 0.00 N ATOM 245 CA GLN A 19 -13.868 -7.458 -3.459 1.00 0.00 C ATOM 246 C GLN A 19 -12.991 -8.431 -2.656 1.00 0.00 C ATOM 247 O GLN A 19 -12.017 -8.950 -3.204 1.00 0.00 O ATOM 248 CB GLN A 19 -13.084 -6.237 -3.973 1.00 0.00 C ATOM 249 CG GLN A 19 -13.941 -5.337 -4.884 1.00 0.00 C ATOM 250 CD GLN A 19 -13.293 -3.981 -5.151 1.00 0.00 C ATOM 251 OE1 GLN A 19 -12.172 -3.889 -5.633 1.00 0.00 O ATOM 252 NE2 GLN A 19 -13.979 -2.886 -4.854 1.00 0.00 N ATOM 0 H GLN A 19 -14.740 -6.204 -2.054 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.225 -8.044 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.724 -5.655 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.206 -6.576 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.113 -5.846 -5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.917 -5.184 -4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.913 -2.963 -4.452 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.572 -1.967 -5.027 1.00 0.00 H new ATOM 261 N GLY A 20 -13.329 -8.688 -1.385 1.00 0.00 N ATOM 262 CA GLY A 20 -12.593 -9.603 -0.520 1.00 0.00 C ATOM 263 C GLY A 20 -11.631 -8.916 0.442 1.00 0.00 C ATOM 264 O GLY A 20 -10.769 -9.592 1.003 1.00 0.00 O ATOM 0 H GLY A 20 -14.133 -8.257 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.306 -10.193 0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.031 -10.300 -1.142 1.00 0.00 H new ATOM 268 N TYR A 21 -11.741 -7.596 0.627 1.00 0.00 N ATOM 269 CA TYR A 21 -10.864 -6.845 1.516 1.00 0.00 C ATOM 270 C TYR A 21 -11.518 -6.651 2.886 1.00 0.00 C ATOM 271 O TYR A 21 -12.621 -6.104 2.986 1.00 0.00 O ATOM 272 CB TYR A 21 -10.480 -5.507 0.877 1.00 0.00 C ATOM 273 CG TYR A 21 -9.987 -5.586 -0.561 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.931 -6.440 -0.941 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.602 -4.786 -1.535 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.493 -6.476 -2.281 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.153 -4.790 -2.863 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.102 -5.643 -3.247 1.00 0.00 C ATOM 279 OH TYR A 21 -8.704 -5.638 -4.547 1.00 0.00 O ATOM 0 H TYR A 21 -12.444 -7.022 0.161 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.948 -7.415 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.346 -4.846 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.703 -5.044 1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.456 -7.069 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.435 -4.157 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.692 -7.140 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.614 -4.139 -3.591 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.247 -4.998 -5.053 1.00 0.00 H new ATOM 289 N SER A 22 -10.841 -7.076 3.948 1.00 0.00 N ATOM 290 CA SER A 22 -11.306 -6.980 5.329 1.00 0.00 C ATOM 291 C SER A 22 -11.317 -5.531 5.833 1.00 0.00 C ATOM 292 O SER A 22 -10.484 -4.724 5.415 1.00 0.00 O ATOM 293 CB SER A 22 -10.368 -7.825 6.192 1.00 0.00 C ATOM 294 OG SER A 22 -10.232 -9.117 5.637 1.00 0.00 O ATOM 0 H SER A 22 -9.922 -7.512 3.869 1.00 0.00 H new ATOM 0 HA SER A 22 -12.332 -7.342 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.392 -7.345 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.759 -7.896 7.207 1.00 0.00 H new ATOM 0 HG SER A 22 -9.628 -9.651 6.195 1.00 0.00 H new ATOM 300 N TYR A 23 -12.191 -5.208 6.801 1.00 0.00 N ATOM 301 CA TYR A 23 -12.302 -3.860 7.372 1.00 0.00 C ATOM 302 C TYR A 23 -10.950 -3.332 7.863 1.00 0.00 C ATOM 303 O TYR A 23 -10.628 -2.170 7.610 1.00 0.00 O ATOM 304 CB TYR A 23 -13.327 -3.845 8.519 1.00 0.00 C ATOM 305 CG TYR A 23 -13.507 -2.494 9.183 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.406 -1.553 8.645 1.00 0.00 C ATOM 307 CD2 TYR A 23 -12.744 -2.159 10.315 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.473 -0.250 9.170 1.00 0.00 C ATOM 309 CE2 TYR A 23 -12.843 -0.874 10.873 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.681 0.099 10.290 1.00 0.00 C ATOM 311 OH TYR A 23 -13.679 1.358 10.805 1.00 0.00 O ATOM 0 H TYR A 23 -12.842 -5.879 7.209 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.645 -3.198 6.577 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.291 -4.177 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.019 -4.569 9.274 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.048 -1.834 7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.082 -2.890 10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.127 0.482 8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.272 -0.629 11.756 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.071 1.396 11.573 1.00 0.00 H new ATOM 321 N GLN A 24 -10.167 -4.177 8.544 1.00 0.00 N ATOM 322 CA GLN A 24 -8.858 -3.826 9.083 1.00 0.00 C ATOM 323 C GLN A 24 -7.939 -3.340 7.965 1.00 0.00 C ATOM 324 O GLN A 24 -7.414 -2.234 8.032 1.00 0.00 O ATOM 325 CB GLN A 24 -8.225 -5.022 9.812 1.00 0.00 C ATOM 326 CG GLN A 24 -9.136 -5.631 10.885 1.00 0.00 C ATOM 327 CD GLN A 24 -8.398 -6.658 11.736 1.00 0.00 C ATOM 328 OE1 GLN A 24 -8.658 -7.857 11.660 1.00 0.00 O ATOM 329 NE2 GLN A 24 -7.492 -6.213 12.586 1.00 0.00 N ATOM 0 H GLN A 24 -10.436 -5.142 8.737 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.992 -3.020 9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.971 -5.791 9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.292 -4.703 10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.523 -4.839 11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.995 -6.104 10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.287 -5.215 12.637 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.996 -6.867 13.192 1.00 0.00 H new ATOM 338 N ASP A 25 -7.751 -4.170 6.939 1.00 0.00 N ATOM 339 CA ASP A 25 -6.917 -3.880 5.777 1.00 0.00 C ATOM 340 C ASP A 25 -7.374 -2.589 5.117 1.00 0.00 C ATOM 341 O ASP A 25 -6.541 -1.753 4.785 1.00 0.00 O ATOM 342 CB ASP A 25 -6.973 -5.023 4.762 1.00 0.00 C ATOM 343 CG ASP A 25 -6.228 -6.273 5.216 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.191 -6.185 5.913 1.00 0.00 O ATOM 345 OD2 ASP A 25 -6.689 -7.372 4.856 1.00 0.00 O ATOM 0 H ASP A 25 -8.189 -5.090 6.894 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.888 -3.770 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.015 -5.279 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.551 -4.681 3.817 1.00 0.00 H new ATOM 350 N ILE A 26 -8.683 -2.380 4.952 1.00 0.00 N ATOM 351 CA ILE A 26 -9.193 -1.163 4.334 1.00 0.00 C ATOM 352 C ILE A 26 -8.700 0.067 5.123 1.00 0.00 C ATOM 353 O ILE A 26 -8.153 0.991 4.512 1.00 0.00 O ATOM 354 CB ILE A 26 -10.724 -1.240 4.162 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.177 -2.368 3.207 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.222 0.098 3.602 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.657 -2.727 3.417 1.00 0.00 C ATOM 0 H ILE A 26 -9.405 -3.041 5.239 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.797 -1.056 3.324 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.146 -1.457 5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.021 -2.056 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.561 -3.252 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.304 0.059 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.967 0.900 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.750 0.287 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.939 -3.523 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.808 -3.064 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.275 -1.849 3.229 1.00 0.00 H new ATOM 369 N GLN A 27 -8.860 0.083 6.453 1.00 0.00 N ATOM 370 CA GLN A 27 -8.406 1.195 7.297 1.00 0.00 C ATOM 371 C GLN A 27 -6.875 1.320 7.232 1.00 0.00 C ATOM 372 O GLN A 27 -6.338 2.428 7.215 1.00 0.00 O ATOM 373 CB GLN A 27 -8.832 1.002 8.765 1.00 0.00 C ATOM 374 CG GLN A 27 -10.351 1.014 8.938 1.00 0.00 C ATOM 375 CD GLN A 27 -11.013 2.372 8.723 1.00 0.00 C ATOM 376 OE1 GLN A 27 -10.631 3.386 9.295 1.00 0.00 O ATOM 377 NE2 GLN A 27 -12.056 2.407 7.918 1.00 0.00 N ATOM 0 H GLN A 27 -9.307 -0.673 6.973 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.871 2.104 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.435 0.057 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.393 1.792 9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.787 0.299 8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.590 0.665 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.365 1.557 7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.554 3.284 7.766 1.00 0.00 H new ATOM 386 N LYS A 28 -6.139 0.204 7.202 1.00 0.00 N ATOM 387 CA LYS A 28 -4.676 0.224 7.127 1.00 0.00 C ATOM 388 C LYS A 28 -4.242 0.860 5.806 1.00 0.00 C ATOM 389 O LYS A 28 -3.327 1.683 5.795 1.00 0.00 O ATOM 390 CB LYS A 28 -4.096 -1.181 7.359 1.00 0.00 C ATOM 391 CG LYS A 28 -4.163 -1.517 8.862 1.00 0.00 C ATOM 392 CD LYS A 28 -3.679 -2.929 9.206 1.00 0.00 C ATOM 393 CE LYS A 28 -4.681 -4.007 8.800 1.00 0.00 C ATOM 394 NZ LYS A 28 -4.219 -5.339 9.230 1.00 0.00 N ATOM 0 H LYS A 28 -6.539 -0.734 7.229 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.268 0.842 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.657 -1.918 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.064 -1.223 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.562 -0.794 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.192 -1.403 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.728 -3.115 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.494 -2.995 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.653 -3.793 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.816 -3.996 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.915 -6.057 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.302 -5.549 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.113 -5.352 10.265 1.00 0.00 H new ATOM 408 N ALA A 29 -4.898 0.528 4.694 1.00 0.00 N ATOM 409 CA ALA A 29 -4.569 1.107 3.401 1.00 0.00 C ATOM 410 C ALA A 29 -4.886 2.605 3.420 1.00 0.00 C ATOM 411 O ALA A 29 -4.132 3.384 2.848 1.00 0.00 O ATOM 412 CB ALA A 29 -5.350 0.406 2.283 1.00 0.00 C ATOM 0 H ALA A 29 -5.665 -0.144 4.668 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.505 0.968 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.091 0.853 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.096 -0.654 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.420 0.520 2.459 1.00 0.00 H new ATOM 418 N LEU A 30 -5.992 3.014 4.057 1.00 0.00 N ATOM 419 CA LEU A 30 -6.411 4.409 4.139 1.00 0.00 C ATOM 420 C LEU A 30 -5.400 5.248 4.904 1.00 0.00 C ATOM 421 O LEU A 30 -4.945 6.253 4.362 1.00 0.00 O ATOM 422 CB LEU A 30 -7.783 4.544 4.818 1.00 0.00 C ATOM 423 CG LEU A 30 -9.008 4.341 3.921 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.260 4.356 4.807 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.133 5.437 2.851 1.00 0.00 C ATOM 0 H LEU A 30 -6.625 2.372 4.534 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.480 4.774 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.833 3.823 5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.847 5.536 5.265 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.899 3.389 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.146 4.213 4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.196 3.552 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.329 5.314 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.016 5.250 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.226 6.409 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.246 5.430 2.218 1.00 0.00 H new ATOM 437 N VAL A 31 -5.044 4.862 6.133 1.00 0.00 N ATOM 438 CA VAL A 31 -4.093 5.629 6.935 1.00 0.00 C ATOM 439 C VAL A 31 -2.770 5.797 6.185 1.00 0.00 C ATOM 440 O VAL A 31 -2.296 6.928 6.043 1.00 0.00 O ATOM 441 CB VAL A 31 -3.972 5.047 8.361 1.00 0.00 C ATOM 442 CG1 VAL A 31 -3.317 3.667 8.463 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.183 5.989 9.276 1.00 0.00 C ATOM 0 H VAL A 31 -5.401 4.024 6.592 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.467 6.642 7.083 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.011 4.939 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.284 3.356 9.507 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.897 2.945 7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.303 3.715 8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.114 5.554 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.181 6.133 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.693 6.951 9.334 1.00 0.00 H new ATOM 453 N ILE A 32 -2.221 4.708 5.638 1.00 0.00 N ATOM 454 CA ILE A 32 -0.965 4.746 4.900 1.00 0.00 C ATOM 455 C ILE A 32 -1.111 5.620 3.642 1.00 0.00 C ATOM 456 O ILE A 32 -0.134 6.223 3.206 1.00 0.00 O ATOM 457 CB ILE A 32 -0.483 3.304 4.600 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.235 2.484 5.896 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.815 3.364 3.777 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.090 0.963 5.751 1.00 0.00 C ATOM 0 H ILE A 32 -2.638 3.779 5.697 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.189 5.213 5.507 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.271 2.801 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.670 2.865 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.059 2.680 6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.158 2.351 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.628 3.889 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.581 3.894 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.079 0.518 6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.001 0.550 5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.755 0.738 5.101 1.00 0.00 H new ATOM 472 N ALA A 33 -2.307 5.715 3.053 1.00 0.00 N ATOM 473 CA ALA A 33 -2.566 6.510 1.869 1.00 0.00 C ATOM 474 C ALA A 33 -2.965 7.946 2.218 1.00 0.00 C ATOM 475 O ALA A 33 -3.493 8.636 1.350 1.00 0.00 O ATOM 476 CB ALA A 33 -3.654 5.839 1.034 1.00 0.00 C ATOM 0 H ALA A 33 -3.133 5.228 3.400 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.644 6.568 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.849 6.436 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.323 4.843 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.567 5.758 1.624 1.00 0.00 H new ATOM 482 N HIS A 34 -2.752 8.417 3.451 1.00 0.00 N ATOM 483 CA HIS A 34 -3.133 9.774 3.868 1.00 0.00 C ATOM 484 C HIS A 34 -4.636 10.001 3.610 1.00 0.00 C ATOM 485 O HIS A 34 -5.057 11.057 3.138 1.00 0.00 O ATOM 486 CB HIS A 34 -2.246 10.839 3.191 1.00 0.00 C ATOM 487 CG HIS A 34 -0.753 10.642 3.293 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.171 11.152 2.409 1.00 0.00 N ATOM 489 CD2 HIS A 34 -0.067 9.994 4.285 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.394 10.839 2.866 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.300 10.140 4.010 1.00 0.00 N ATOM 0 H HIS A 34 -2.311 7.869 4.190 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.964 9.877 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.512 10.882 2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.491 11.810 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.499 9.468 5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.321 11.110 2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.074 9.784 4.570 1.00 0.00 H new ATOM 499 N ASN A 35 -5.452 8.983 3.909 1.00 0.00 N ATOM 500 CA ASN A 35 -6.907 8.911 3.751 1.00 0.00 C ATOM 501 C ASN A 35 -7.354 8.955 2.286 1.00 0.00 C ATOM 502 O ASN A 35 -8.557 9.030 2.029 1.00 0.00 O ATOM 503 CB ASN A 35 -7.652 9.958 4.612 1.00 0.00 C ATOM 504 CG ASN A 35 -7.503 9.725 6.108 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.078 8.662 6.548 1.00 0.00 O ATOM 506 ND2 ASN A 35 -7.851 10.701 6.930 1.00 0.00 N ATOM 0 H ASN A 35 -5.079 8.118 4.300 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.193 7.930 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.277 10.952 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.711 9.944 4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.767 10.573 7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.203 11.582 6.555 1.00 0.00 H new ATOM 513 N ASN A 36 -6.434 8.917 1.317 1.00 0.00 N ATOM 514 CA ASN A 36 -6.741 8.957 -0.110 1.00 0.00 C ATOM 515 C ASN A 36 -7.390 7.628 -0.508 1.00 0.00 C ATOM 516 O ASN A 36 -6.684 6.633 -0.686 1.00 0.00 O ATOM 517 CB ASN A 36 -5.457 9.251 -0.900 1.00 0.00 C ATOM 518 CG ASN A 36 -5.682 9.412 -2.396 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.504 8.742 -3.016 1.00 0.00 O ATOM 520 ND2 ASN A 36 -4.926 10.263 -3.052 1.00 0.00 N ATOM 0 H ASN A 36 -5.434 8.856 1.511 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.447 9.755 -0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.002 10.161 -0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.745 8.442 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.026 10.360 -4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.239 10.826 -2.551 1.00 0.00 H new ATOM 527 N ILE A 37 -8.721 7.598 -0.641 1.00 0.00 N ATOM 528 CA ILE A 37 -9.478 6.398 -1.001 1.00 0.00 C ATOM 529 C ILE A 37 -8.965 5.778 -2.304 1.00 0.00 C ATOM 530 O ILE A 37 -8.757 4.570 -2.364 1.00 0.00 O ATOM 531 CB ILE A 37 -11.003 6.696 -1.050 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.869 5.435 -1.253 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.392 7.680 -2.161 1.00 0.00 C ATOM 534 CD1 ILE A 37 -12.097 4.652 0.037 1.00 0.00 C ATOM 0 H ILE A 37 -9.309 8.419 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.320 5.654 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.200 7.133 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.833 5.727 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.389 4.786 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.469 7.845 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.877 8.628 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.107 7.268 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.713 3.777 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.137 4.332 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.604 5.287 0.763 1.00 0.00 H new ATOM 546 N GLU A 38 -8.738 6.587 -3.340 1.00 0.00 N ATOM 547 CA GLU A 38 -8.281 6.108 -4.636 1.00 0.00 C ATOM 548 C GLU A 38 -6.938 5.388 -4.531 1.00 0.00 C ATOM 549 O GLU A 38 -6.760 4.322 -5.126 1.00 0.00 O ATOM 550 CB GLU A 38 -8.135 7.281 -5.626 1.00 0.00 C ATOM 551 CG GLU A 38 -9.420 8.028 -5.988 1.00 0.00 C ATOM 552 CD GLU A 38 -10.412 7.218 -6.823 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.274 5.978 -6.959 1.00 0.00 O ATOM 554 OE2 GLU A 38 -11.421 7.803 -7.259 1.00 0.00 O ATOM 0 H GLU A 38 -8.868 7.598 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.031 5.405 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.430 7.998 -5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.691 6.899 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.912 8.344 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.157 8.933 -6.536 1.00 0.00 H new ATOM 561 N MET A 39 -6.000 5.987 -3.800 1.00 0.00 N ATOM 562 CA MET A 39 -4.660 5.470 -3.581 1.00 0.00 C ATOM 563 C MET A 39 -4.779 4.181 -2.777 1.00 0.00 C ATOM 564 O MET A 39 -4.252 3.153 -3.191 1.00 0.00 O ATOM 565 CB MET A 39 -3.839 6.559 -2.886 1.00 0.00 C ATOM 566 CG MET A 39 -2.326 6.360 -2.831 1.00 0.00 C ATOM 567 SD MET A 39 -1.501 7.879 -2.247 1.00 0.00 S ATOM 568 CE MET A 39 0.199 7.740 -2.877 1.00 0.00 C ATOM 0 H MET A 39 -6.163 6.877 -3.329 1.00 0.00 H new ATOM 0 HA MET A 39 -4.142 5.223 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.038 7.505 -3.389 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.205 6.658 -1.864 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.087 5.531 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.952 6.094 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.686 8.714 -2.827 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.754 7.024 -2.271 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.177 7.398 -3.912 1.00 0.00 H new ATOM 578 N ALA A 40 -5.534 4.198 -1.675 1.00 0.00 N ATOM 579 CA ALA A 40 -5.738 3.035 -0.826 1.00 0.00 C ATOM 580 C ALA A 40 -6.346 1.875 -1.628 1.00 0.00 C ATOM 581 O ALA A 40 -5.979 0.720 -1.416 1.00 0.00 O ATOM 582 CB ALA A 40 -6.617 3.433 0.361 1.00 0.00 C ATOM 0 H ALA A 40 -6.023 5.032 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.779 2.683 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.775 2.567 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.125 4.221 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.578 3.795 -0.003 1.00 0.00 H new ATOM 588 N LYS A 41 -7.270 2.165 -2.555 1.00 0.00 N ATOM 589 CA LYS A 41 -7.898 1.155 -3.407 1.00 0.00 C ATOM 590 C LYS A 41 -6.814 0.462 -4.235 1.00 0.00 C ATOM 591 O LYS A 41 -6.878 -0.754 -4.408 1.00 0.00 O ATOM 592 CB LYS A 41 -8.956 1.795 -4.333 1.00 0.00 C ATOM 593 CG LYS A 41 -10.309 2.028 -3.653 1.00 0.00 C ATOM 594 CD LYS A 41 -11.269 2.826 -4.539 1.00 0.00 C ATOM 595 CE LYS A 41 -12.608 2.907 -3.803 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.634 3.634 -4.568 1.00 0.00 N ATOM 0 H LYS A 41 -7.602 3.113 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.407 0.423 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.575 2.748 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.102 1.153 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.760 1.067 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.156 2.560 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.875 3.824 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.392 2.340 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.964 1.898 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.460 3.399 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.553 3.544 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.373 4.639 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.702 3.234 -5.526 1.00 0.00 H new ATOM 610 N ASN A 42 -5.850 1.221 -4.771 1.00 0.00 N ATOM 611 CA ASN A 42 -4.759 0.663 -5.571 1.00 0.00 C ATOM 612 C ASN A 42 -3.922 -0.276 -4.702 1.00 0.00 C ATOM 613 O ASN A 42 -3.563 -1.349 -5.177 1.00 0.00 O ATOM 614 CB ASN A 42 -3.834 1.741 -6.170 1.00 0.00 C ATOM 615 CG ASN A 42 -4.353 2.446 -7.412 1.00 0.00 C ATOM 616 OD1 ASN A 42 -3.756 2.385 -8.479 1.00 0.00 O ATOM 617 ND2 ASN A 42 -5.418 3.218 -7.313 1.00 0.00 N ATOM 0 H ASN A 42 -5.806 2.234 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.219 0.129 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.640 2.492 -5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.877 1.278 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.735 3.755 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.924 3.278 -6.430 1.00 0.00 H new ATOM 624 N ILE A 43 -3.628 0.102 -3.447 1.00 0.00 N ATOM 625 CA ILE A 43 -2.828 -0.713 -2.527 1.00 0.00 C ATOM 626 C ILE A 43 -3.462 -2.093 -2.418 1.00 0.00 C ATOM 627 O ILE A 43 -2.825 -3.094 -2.740 1.00 0.00 O ATOM 628 CB ILE A 43 -2.646 -0.053 -1.132 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.993 1.341 -1.259 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.812 -0.972 -0.223 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.841 2.122 0.046 1.00 0.00 C ATOM 0 H ILE A 43 -3.941 0.985 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.821 -0.801 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.629 0.086 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.006 1.221 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.586 1.938 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.688 -0.503 0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.323 -1.928 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.833 -1.137 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.372 3.084 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.823 2.284 0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.219 1.555 0.739 1.00 0.00 H new ATOM 643 N LEU A 44 -4.724 -2.134 -1.992 1.00 0.00 N ATOM 644 CA LEU A 44 -5.479 -3.367 -1.812 1.00 0.00 C ATOM 645 C LEU A 44 -5.499 -4.226 -3.076 1.00 0.00 C ATOM 646 O LEU A 44 -5.422 -5.446 -2.969 1.00 0.00 O ATOM 647 CB LEU A 44 -6.910 -3.030 -1.355 1.00 0.00 C ATOM 648 CG LEU A 44 -6.968 -2.389 0.046 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.338 -1.760 0.292 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.681 -3.406 1.153 1.00 0.00 C ATOM 0 H LEU A 44 -5.257 -1.296 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.980 -3.958 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.364 -2.351 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.508 -3.941 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.196 -1.620 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.360 -1.313 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.525 -0.990 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.109 -2.528 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.732 -2.912 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.421 -4.205 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.685 -3.826 1.012 1.00 0.00 H new ATOM 662 N ARG A 45 -5.562 -3.610 -4.260 1.00 0.00 N ATOM 663 CA ARG A 45 -5.605 -4.330 -5.527 1.00 0.00 C ATOM 664 C ARG A 45 -4.344 -5.132 -5.837 1.00 0.00 C ATOM 665 O ARG A 45 -4.453 -6.186 -6.462 1.00 0.00 O ATOM 666 CB ARG A 45 -5.928 -3.346 -6.658 1.00 0.00 C ATOM 667 CG ARG A 45 -6.591 -4.059 -7.839 1.00 0.00 C ATOM 668 CD ARG A 45 -7.110 -3.032 -8.849 1.00 0.00 C ATOM 669 NE ARG A 45 -7.783 -3.711 -9.959 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.547 -3.162 -10.904 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.872 -1.871 -10.845 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.984 -3.916 -11.905 1.00 0.00 N ATOM 0 H ARG A 45 -5.584 -2.595 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.394 -5.077 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.588 -2.563 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.012 -2.858 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.875 -4.725 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.414 -4.679 -7.484 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.802 -2.347 -8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.282 -2.433 -9.228 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.652 -4.721 -10.016 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.536 -1.295 -10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.457 -1.459 -11.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.735 -4.904 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.569 -3.507 -12.634 1.00 0.00 H new ATOM 686 N GLU A 46 -3.164 -4.653 -5.444 1.00 0.00 N ATOM 687 CA GLU A 46 -1.916 -5.365 -5.715 1.00 0.00 C ATOM 688 C GLU A 46 -1.419 -6.144 -4.499 1.00 0.00 C ATOM 689 O GLU A 46 -0.833 -7.212 -4.679 1.00 0.00 O ATOM 690 CB GLU A 46 -0.816 -4.375 -6.133 1.00 0.00 C ATOM 691 CG GLU A 46 -0.956 -3.819 -7.557 1.00 0.00 C ATOM 692 CD GLU A 46 -0.865 -4.862 -8.677 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.138 -5.874 -8.560 1.00 0.00 O ATOM 694 OE2 GLU A 46 -1.484 -4.626 -9.743 1.00 0.00 O ATOM 0 H GLU A 46 -3.046 -3.776 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.128 -6.069 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.812 -3.541 -5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.151 -4.870 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.914 -3.306 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.180 -3.070 -7.716 1.00 0.00 H new ATOM 701 N PHE A 47 -1.654 -5.640 -3.284 1.00 0.00 N ATOM 702 CA PHE A 47 -1.188 -6.270 -2.056 1.00 0.00 C ATOM 703 C PHE A 47 -2.138 -7.285 -1.442 1.00 0.00 C ATOM 704 O PHE A 47 -1.671 -8.125 -0.673 1.00 0.00 O ATOM 705 CB PHE A 47 -0.835 -5.187 -1.028 1.00 0.00 C ATOM 706 CG PHE A 47 0.501 -4.555 -1.338 1.00 0.00 C ATOM 707 CD1 PHE A 47 0.637 -3.639 -2.401 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.643 -5.030 -0.667 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.917 -3.223 -2.801 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.914 -4.595 -1.056 1.00 0.00 C ATOM 711 CZ PHE A 47 3.045 -3.697 -2.122 1.00 0.00 C ATOM 0 H PHE A 47 -2.177 -4.778 -3.129 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.309 -6.848 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.610 -4.421 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.811 -5.624 -0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.239 -3.259 -2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.538 -5.730 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.031 -2.540 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.791 -4.951 -0.536 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.028 -3.366 -2.424 1.00 0.00 H new ATOM 721 N SER A 48 -3.435 -7.212 -1.715 1.00 0.00 N ATOM 722 CA SER A 48 -4.421 -8.133 -1.177 1.00 0.00 C ATOM 723 C SER A 48 -5.106 -8.833 -2.349 1.00 0.00 C ATOM 724 O SER A 48 -4.659 -8.740 -3.498 1.00 0.00 O ATOM 725 CB SER A 48 -5.357 -7.369 -0.230 1.00 0.00 C ATOM 726 OG SER A 48 -6.167 -8.273 0.488 1.00 0.00 O ATOM 0 H SER A 48 -3.834 -6.500 -2.326 1.00 0.00 H new ATOM 0 HA SER A 48 -3.977 -8.921 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.771 -6.765 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.983 -6.683 -0.801 1.00 0.00 H new ATOM 0 HG SER A 48 -6.759 -7.775 1.090 1.00 0.00 H new ATOM 865 N LEU B 9 17.102 6.194 -4.298 1.00 0.00 N ATOM 866 CA LEU B 9 15.984 5.384 -3.821 1.00 0.00 C ATOM 867 C LEU B 9 16.346 3.895 -3.887 1.00 0.00 C ATOM 868 O LEU B 9 15.903 3.134 -3.034 1.00 0.00 O ATOM 869 CB LEU B 9 14.705 5.772 -4.582 1.00 0.00 C ATOM 870 CG LEU B 9 13.405 5.247 -3.957 1.00 0.00 C ATOM 871 CD1 LEU B 9 12.256 6.231 -4.203 1.00 0.00 C ATOM 872 CD2 LEU B 9 12.989 3.896 -4.543 1.00 0.00 C ATOM 0 HA LEU B 9 15.777 5.583 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.650 6.859 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU B 9 14.778 5.398 -5.603 1.00 0.00 H new ATOM 0 HG LEU B 9 13.601 5.134 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU B 9 11.342 5.843 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.500 7.194 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.108 6.356 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU B 9 12.064 3.564 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.832 3.998 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU B 9 13.774 3.162 -4.359 1.00 0.00 H new ATOM 884 N SER B 10 17.175 3.468 -4.849 1.00 0.00 N ATOM 885 CA SER B 10 17.603 2.075 -4.965 1.00 0.00 C ATOM 886 C SER B 10 18.303 1.605 -3.685 1.00 0.00 C ATOM 887 O SER B 10 18.084 0.469 -3.271 1.00 0.00 O ATOM 888 CB SER B 10 18.555 1.909 -6.150 1.00 0.00 C ATOM 889 OG SER B 10 17.843 1.711 -7.352 1.00 0.00 O ATOM 0 H SER B 10 17.565 4.080 -5.566 1.00 0.00 H new ATOM 0 HA SER B 10 16.713 1.466 -5.123 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.186 2.793 -6.239 1.00 0.00 H new ATOM 0 HB3 SER B 10 19.217 1.061 -5.972 1.00 0.00 H new ATOM 0 HG SER B 10 18.475 1.609 -8.094 1.00 0.00 H new ATOM 895 N SER B 11 19.113 2.454 -3.041 1.00 0.00 N ATOM 896 CA SER B 11 19.802 2.077 -1.813 1.00 0.00 C ATOM 897 C SER B 11 18.775 1.700 -0.736 1.00 0.00 C ATOM 898 O SER B 11 19.003 0.771 0.036 1.00 0.00 O ATOM 899 CB SER B 11 20.709 3.225 -1.356 1.00 0.00 C ATOM 900 OG SER B 11 21.671 3.563 -2.350 1.00 0.00 O ATOM 0 H SER B 11 19.304 3.406 -3.355 1.00 0.00 H new ATOM 0 HA SER B 11 20.431 1.205 -1.993 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.101 4.100 -1.126 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.220 2.941 -0.436 1.00 0.00 H new ATOM 0 HG SER B 11 22.231 4.299 -2.026 1.00 0.00 H new ATOM 906 N GLU B 12 17.620 2.371 -0.705 1.00 0.00 N ATOM 907 CA GLU B 12 16.563 2.100 0.257 1.00 0.00 C ATOM 908 C GLU B 12 15.842 0.782 -0.090 1.00 0.00 C ATOM 909 O GLU B 12 15.394 0.084 0.821 1.00 0.00 O ATOM 910 CB GLU B 12 15.572 3.276 0.292 1.00 0.00 C ATOM 911 CG GLU B 12 16.166 4.646 0.665 1.00 0.00 C ATOM 912 CD GLU B 12 16.621 4.768 2.125 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.040 4.121 3.026 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.554 5.559 2.389 1.00 0.00 O ATOM 0 H GLU B 12 17.396 3.124 -1.356 1.00 0.00 H new ATOM 0 HA GLU B 12 17.005 1.990 1.247 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.103 3.360 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.782 3.039 1.004 1.00 0.00 H new ATOM 0 HG2 GLU B 12 17.017 4.848 0.015 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.422 5.417 0.464 1.00 0.00 H new ATOM 921 N ILE B 13 15.713 0.411 -1.374 1.00 0.00 N ATOM 922 CA ILE B 13 15.048 -0.833 -1.799 1.00 0.00 C ATOM 923 C ILE B 13 15.789 -2.024 -1.196 1.00 0.00 C ATOM 924 O ILE B 13 15.162 -2.933 -0.651 1.00 0.00 O ATOM 925 CB ILE B 13 14.974 -0.956 -3.347 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.096 0.177 -3.920 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.448 -2.332 -3.826 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.034 0.201 -5.451 1.00 0.00 C ATOM 0 H ILE B 13 16.069 0.968 -2.151 1.00 0.00 H new ATOM 0 HA ILE B 13 14.020 -0.816 -1.438 1.00 0.00 H new ATOM 0 HB ILE B 13 15.994 -0.867 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.085 0.074 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.479 1.134 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.421 -2.352 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.109 -3.120 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.443 -2.494 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE B 13 13.398 1.024 -5.777 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.038 0.336 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.622 -0.741 -5.813 1.00 0.00 H new ATOM 940 N GLU B 14 17.120 -2.014 -1.261 1.00 0.00 N ATOM 941 CA GLU B 14 17.931 -3.101 -0.735 1.00 0.00 C ATOM 942 C GLU B 14 17.703 -3.280 0.769 1.00 0.00 C ATOM 943 O GLU B 14 17.795 -4.398 1.273 1.00 0.00 O ATOM 944 CB GLU B 14 19.411 -2.854 -1.059 1.00 0.00 C ATOM 945 CG GLU B 14 19.706 -2.757 -2.565 1.00 0.00 C ATOM 946 CD GLU B 14 19.237 -3.991 -3.336 1.00 0.00 C ATOM 947 OE1 GLU B 14 19.650 -5.115 -2.973 1.00 0.00 O ATOM 948 OE2 GLU B 14 18.500 -3.826 -4.337 1.00 0.00 O ATOM 0 H GLU B 14 17.660 -1.255 -1.678 1.00 0.00 H new ATOM 0 HA GLU B 14 17.628 -4.031 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.731 -1.931 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.007 -3.661 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.217 -1.872 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU B 14 20.778 -2.626 -2.714 1.00 0.00 H new ATOM 955 N ARG B 15 17.388 -2.209 1.509 1.00 0.00 N ATOM 956 CA ARG B 15 17.146 -2.308 2.951 1.00 0.00 C ATOM 957 C ARG B 15 15.859 -3.082 3.206 1.00 0.00 C ATOM 958 O ARG B 15 15.809 -3.894 4.123 1.00 0.00 O ATOM 959 CB ARG B 15 17.092 -0.921 3.611 1.00 0.00 C ATOM 960 CG ARG B 15 18.411 -0.169 3.407 1.00 0.00 C ATOM 961 CD ARG B 15 18.444 1.191 4.106 1.00 0.00 C ATOM 962 NE ARG B 15 19.635 1.961 3.714 1.00 0.00 N ATOM 963 CZ ARG B 15 20.884 1.798 4.166 1.00 0.00 C ATOM 964 NH1 ARG B 15 21.193 0.801 4.984 1.00 0.00 N ATOM 965 NH2 ARG B 15 21.834 2.650 3.797 1.00 0.00 N ATOM 0 H ARG B 15 17.295 -1.266 1.132 1.00 0.00 H new ATOM 0 HA ARG B 15 17.979 -2.846 3.402 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.270 -0.344 3.188 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.891 -1.028 4.677 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.232 -0.782 3.779 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.579 -0.026 2.340 1.00 0.00 H new ATOM 0 HD2 ARG B 15 17.545 1.754 3.855 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.439 1.048 5.187 1.00 0.00 H new ATOM 0 HE ARG B 15 19.493 2.698 3.024 1.00 0.00 H new ATOM 0 HH11 ARG B 15 20.473 0.142 5.279 1.00 0.00 H new ATOM 0 HH12 ARG B 15 22.151 0.693 5.318 1.00 0.00 H new ATOM 0 HH21 ARG B 15 21.610 3.424 3.172 1.00 0.00 H new ATOM 0 HH22 ARG B 15 22.787 2.530 4.139 1.00 0.00 H new ATOM 979 N LEU B 16 14.827 -2.869 2.385 1.00 0.00 N ATOM 980 CA LEU B 16 13.556 -3.571 2.545 1.00 0.00 C ATOM 981 C LEU B 16 13.746 -5.076 2.352 1.00 0.00 C ATOM 982 O LEU B 16 13.033 -5.853 2.982 1.00 0.00 O ATOM 983 CB LEU B 16 12.494 -2.996 1.594 1.00 0.00 C ATOM 984 CG LEU B 16 11.915 -1.669 2.110 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.299 -0.869 0.955 1.00 0.00 C ATOM 986 CD2 LEU B 16 10.874 -1.856 3.217 1.00 0.00 C ATOM 0 H LEU B 16 14.849 -2.215 1.603 1.00 0.00 H new ATOM 0 HA LEU B 16 13.195 -3.417 3.562 1.00 0.00 H new ATOM 0 HB2 LEU B 16 12.935 -2.840 0.610 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.688 -3.719 1.471 1.00 0.00 H new ATOM 0 HG LEU B 16 12.750 -1.119 2.543 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.893 0.068 1.337 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.066 -0.656 0.210 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.499 -1.450 0.496 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.505 -0.882 3.537 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.044 -2.452 2.839 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.332 -2.367 4.064 1.00 0.00 H new ATOM 998 N MET B 17 14.709 -5.514 1.532 1.00 0.00 N ATOM 999 CA MET B 17 14.930 -6.947 1.342 1.00 0.00 C ATOM 1000 C MET B 17 15.372 -7.596 2.662 1.00 0.00 C ATOM 1001 O MET B 17 15.049 -8.759 2.906 1.00 0.00 O ATOM 1002 CB MET B 17 15.930 -7.222 0.217 1.00 0.00 C ATOM 1003 CG MET B 17 15.446 -6.682 -1.129 1.00 0.00 C ATOM 1004 SD MET B 17 16.355 -7.364 -2.540 1.00 0.00 S ATOM 1005 CE MET B 17 15.977 -6.094 -3.766 1.00 0.00 C ATOM 0 H MET B 17 15.335 -4.909 1.000 1.00 0.00 H new ATOM 0 HA MET B 17 13.986 -7.398 1.038 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.889 -6.767 0.466 1.00 0.00 H new ATOM 0 HB3 MET B 17 16.098 -8.296 0.137 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.386 -6.908 -1.244 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.542 -5.596 -1.133 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.443 -6.355 -4.716 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.897 -6.026 -3.898 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.362 -5.133 -3.425 1.00 0.00 H new ATOM 1015 N SER B 18 16.075 -6.860 3.534 1.00 0.00 N ATOM 1016 CA SER B 18 16.514 -7.371 4.829 1.00 0.00 C ATOM 1017 C SER B 18 15.296 -7.655 5.719 1.00 0.00 C ATOM 1018 O SER B 18 15.347 -8.530 6.583 1.00 0.00 O ATOM 1019 CB SER B 18 17.415 -6.346 5.524 1.00 0.00 C ATOM 1020 OG SER B 18 18.617 -6.115 4.818 1.00 0.00 O ATOM 0 H SER B 18 16.353 -5.895 3.356 1.00 0.00 H new ATOM 0 HA SER B 18 17.073 -8.293 4.667 1.00 0.00 H new ATOM 0 HB2 SER B 18 16.874 -5.406 5.632 1.00 0.00 H new ATOM 0 HB3 SER B 18 17.649 -6.696 6.529 1.00 0.00 H new ATOM 0 HG SER B 18 19.157 -5.454 5.299 1.00 0.00 H new ATOM 1026 N GLN B 19 14.199 -6.919 5.530 1.00 0.00 N ATOM 1027 CA GLN B 19 12.966 -7.090 6.289 1.00 0.00 C ATOM 1028 C GLN B 19 12.102 -8.225 5.710 1.00 0.00 C ATOM 1029 O GLN B 19 10.990 -8.446 6.179 1.00 0.00 O ATOM 1030 CB GLN B 19 12.229 -5.751 6.385 1.00 0.00 C ATOM 1031 CG GLN B 19 13.067 -4.674 7.095 1.00 0.00 C ATOM 1032 CD GLN B 19 12.173 -3.663 7.801 1.00 0.00 C ATOM 1033 OE1 GLN B 19 11.710 -3.915 8.911 1.00 0.00 O ATOM 1034 NE2 GLN B 19 11.895 -2.515 7.209 1.00 0.00 N ATOM 0 H GLN B 19 14.145 -6.176 4.833 1.00 0.00 H new ATOM 0 HA GLN B 19 13.206 -7.400 7.306 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.973 -5.407 5.383 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.292 -5.892 6.923 1.00 0.00 H new ATOM 0 HG2 GLN B 19 13.732 -5.145 7.819 1.00 0.00 H new ATOM 0 HG3 GLN B 19 13.698 -4.162 6.369 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.281 -2.310 6.288 1.00 0.00 H new ATOM 0 HE22 GLN B 19 11.294 -1.834 7.673 1.00 0.00 H new ATOM 1043 N GLY B 20 12.614 -8.939 4.701 1.00 0.00 N ATOM 1044 CA GLY B 20 11.980 -10.071 4.044 1.00 0.00 C ATOM 1045 C GLY B 20 11.049 -9.712 2.898 1.00 0.00 C ATOM 1046 O GLY B 20 10.454 -10.611 2.304 1.00 0.00 O ATOM 0 H GLY B 20 13.530 -8.726 4.306 1.00 0.00 H new ATOM 0 HA2 GLY B 20 12.758 -10.734 3.666 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.416 -10.634 4.788 1.00 0.00 H new ATOM 1050 N TYR B 21 10.911 -8.430 2.567 1.00 0.00 N ATOM 1051 CA TYR B 21 10.033 -8.017 1.489 1.00 0.00 C ATOM 1052 C TYR B 21 10.638 -8.382 0.134 1.00 0.00 C ATOM 1053 O TYR B 21 11.842 -8.215 -0.090 1.00 0.00 O ATOM 1054 CB TYR B 21 9.775 -6.513 1.587 1.00 0.00 C ATOM 1055 CG TYR B 21 9.265 -6.051 2.943 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.103 -6.607 3.508 1.00 0.00 C ATOM 1057 CD2 TYR B 21 9.973 -5.075 3.662 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.635 -6.144 4.751 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.500 -4.594 4.894 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.324 -5.130 5.447 1.00 0.00 C ATOM 1061 OH TYR B 21 7.865 -4.653 6.636 1.00 0.00 O ATOM 0 H TYR B 21 11.398 -7.664 3.033 1.00 0.00 H new ATOM 0 HA TYR B 21 9.082 -8.542 1.580 1.00 0.00 H new ATOM 0 HB2 TYR B 21 10.700 -5.982 1.360 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.050 -6.230 0.824 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.570 -7.389 2.988 1.00 0.00 H new ATOM 0 HD2 TYR B 21 10.898 -4.687 3.261 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.738 -6.570 5.177 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.038 -3.815 5.414 1.00 0.00 H new ATOM 0 HH TYR B 21 8.472 -3.958 6.966 1.00 0.00 H new ATOM 1071 N SER B 22 9.802 -8.868 -0.777 1.00 0.00 N ATOM 1072 CA SER B 22 10.187 -9.253 -2.125 1.00 0.00 C ATOM 1073 C SER B 22 10.325 -7.993 -2.981 1.00 0.00 C ATOM 1074 O SER B 22 9.551 -7.044 -2.835 1.00 0.00 O ATOM 1075 CB SER B 22 9.103 -10.177 -2.693 1.00 0.00 C ATOM 1076 OG SER B 22 9.073 -11.379 -1.953 1.00 0.00 O ATOM 0 H SER B 22 8.809 -9.008 -0.590 1.00 0.00 H new ATOM 0 HA SER B 22 11.142 -9.779 -2.122 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.131 -9.686 -2.648 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.305 -10.389 -3.743 1.00 0.00 H new ATOM 0 HG SER B 22 8.379 -11.969 -2.315 1.00 0.00 H new ATOM 1082 N TYR B 23 11.266 -7.994 -3.927 1.00 0.00 N ATOM 1083 CA TYR B 23 11.520 -6.879 -4.831 1.00 0.00 C ATOM 1084 C TYR B 23 10.247 -6.441 -5.557 1.00 0.00 C ATOM 1085 O TYR B 23 10.021 -5.238 -5.683 1.00 0.00 O ATOM 1086 CB TYR B 23 12.638 -7.245 -5.815 1.00 0.00 C ATOM 1087 CG TYR B 23 12.863 -6.206 -6.896 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.690 -5.090 -6.669 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.198 -6.342 -8.127 1.00 0.00 C ATOM 1090 CE1 TYR B 23 13.877 -4.126 -7.677 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.391 -5.395 -9.143 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.238 -4.286 -8.930 1.00 0.00 C ATOM 1093 OH TYR B 23 13.381 -3.364 -9.922 1.00 0.00 O ATOM 0 H TYR B 23 11.884 -8.789 -4.087 1.00 0.00 H new ATOM 0 HA TYR B 23 11.851 -6.025 -4.240 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.566 -7.386 -5.261 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.399 -8.199 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.184 -4.973 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR B 23 11.536 -7.179 -8.291 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.506 -3.267 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR B 23 11.890 -5.515 -10.092 1.00 0.00 H new ATOM 0 HH TYR B 23 12.868 -3.647 -10.708 1.00 0.00 H new ATOM 1103 N GLN B 24 9.414 -7.384 -6.016 1.00 0.00 N ATOM 1104 CA GLN B 24 8.179 -7.034 -6.715 1.00 0.00 C ATOM 1105 C GLN B 24 7.273 -6.211 -5.805 1.00 0.00 C ATOM 1106 O GLN B 24 6.766 -5.187 -6.239 1.00 0.00 O ATOM 1107 CB GLN B 24 7.469 -8.271 -7.274 1.00 0.00 C ATOM 1108 CG GLN B 24 8.367 -8.951 -8.312 1.00 0.00 C ATOM 1109 CD GLN B 24 7.628 -9.955 -9.182 1.00 0.00 C ATOM 1110 OE1 GLN B 24 6.746 -10.687 -8.739 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.982 -10.022 -10.449 1.00 0.00 N ATOM 0 H GLN B 24 9.574 -8.386 -5.915 1.00 0.00 H new ATOM 0 HA GLN B 24 8.437 -6.418 -7.577 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.237 -8.966 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.521 -7.984 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.815 -8.189 -8.950 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.184 -9.458 -7.799 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.715 -9.410 -10.807 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.523 -10.686 -11.072 1.00 0.00 H new ATOM 1120 N ASP B 25 7.070 -6.628 -4.556 1.00 0.00 N ATOM 1121 CA ASP B 25 6.250 -5.911 -3.581 1.00 0.00 C ATOM 1122 C ASP B 25 6.848 -4.530 -3.363 1.00 0.00 C ATOM 1123 O ASP B 25 6.118 -3.544 -3.401 1.00 0.00 O ATOM 1124 CB ASP B 25 6.143 -6.671 -2.255 1.00 0.00 C ATOM 1125 CG ASP B 25 5.270 -7.908 -2.400 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.125 -7.758 -2.879 1.00 0.00 O ATOM 1127 OD2 ASP B 25 5.748 -9.006 -2.052 1.00 0.00 O ATOM 0 H ASP B 25 7.477 -7.487 -4.187 1.00 0.00 H new ATOM 0 HA ASP B 25 5.237 -5.821 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.138 -6.962 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP B 25 5.726 -6.016 -1.490 1.00 0.00 H new ATOM 1132 N ILE B 26 8.168 -4.420 -3.176 1.00 0.00 N ATOM 1133 CA ILE B 26 8.802 -3.119 -2.973 1.00 0.00 C ATOM 1134 C ILE B 26 8.475 -2.214 -4.169 1.00 0.00 C ATOM 1135 O ILE B 26 8.062 -1.068 -3.987 1.00 0.00 O ATOM 1136 CB ILE B 26 10.320 -3.247 -2.711 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.643 -4.124 -1.478 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.896 -1.831 -2.508 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.089 -4.644 -1.482 1.00 0.00 C ATOM 0 H ILE B 26 8.811 -5.212 -3.162 1.00 0.00 H new ATOM 0 HA ILE B 26 8.398 -2.657 -2.072 1.00 0.00 H new ATOM 0 HB ILE B 26 10.773 -3.739 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.472 -3.545 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.957 -4.971 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.968 -1.898 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.720 -1.235 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.408 -1.358 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.259 -5.253 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.256 -5.248 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.779 -3.800 -1.481 1.00 0.00 H new ATOM 1151 N GLN B 27 8.638 -2.725 -5.391 1.00 0.00 N ATOM 1152 CA GLN B 27 8.351 -1.978 -6.601 1.00 0.00 C ATOM 1153 C GLN B 27 6.876 -1.593 -6.677 1.00 0.00 C ATOM 1154 O GLN B 27 6.600 -0.417 -6.907 1.00 0.00 O ATOM 1155 CB GLN B 27 8.776 -2.775 -7.842 1.00 0.00 C ATOM 1156 CG GLN B 27 10.297 -2.759 -8.034 1.00 0.00 C ATOM 1157 CD GLN B 27 10.850 -1.364 -8.320 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.168 -0.479 -8.829 1.00 0.00 O ATOM 1159 NE2 GLN B 27 12.098 -1.120 -7.974 1.00 0.00 N ATOM 0 H GLN B 27 8.974 -3.673 -5.562 1.00 0.00 H new ATOM 0 HA GLN B 27 8.931 -1.056 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.432 -3.805 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.293 -2.357 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.775 -3.156 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.560 -3.424 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN B 27 12.663 -1.856 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.499 -0.195 -8.129 1.00 0.00 H new ATOM 1168 N LYS B 28 5.945 -2.533 -6.491 1.00 0.00 N ATOM 1169 CA LYS B 28 4.500 -2.299 -6.531 1.00 0.00 C ATOM 1170 C LYS B 28 4.129 -1.198 -5.541 1.00 0.00 C ATOM 1171 O LYS B 28 3.388 -0.282 -5.897 1.00 0.00 O ATOM 1172 CB LYS B 28 3.737 -3.609 -6.241 1.00 0.00 C ATOM 1173 CG LYS B 28 3.774 -4.587 -7.433 1.00 0.00 C ATOM 1174 CD LYS B 28 3.085 -5.931 -7.145 1.00 0.00 C ATOM 1175 CE LYS B 28 3.840 -6.849 -6.184 1.00 0.00 C ATOM 1176 NZ LYS B 28 2.981 -7.943 -5.689 1.00 0.00 N ATOM 0 H LYS B 28 6.184 -3.507 -6.303 1.00 0.00 H new ATOM 0 HA LYS B 28 4.212 -1.967 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.170 -4.092 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.700 -3.376 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.294 -4.118 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.812 -4.772 -7.709 1.00 0.00 H new ATOM 0 HD2 LYS B 28 2.095 -5.734 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.940 -6.457 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS B 28 4.710 -7.269 -6.689 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.211 -6.267 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.172 -8.105 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 1.982 -7.684 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 3.184 -8.812 -6.223 1.00 0.00 H new ATOM 1190 N ALA B 29 4.650 -1.270 -4.314 1.00 0.00 N ATOM 1191 CA ALA B 29 4.387 -0.276 -3.280 1.00 0.00 C ATOM 1192 C ALA B 29 4.897 1.076 -3.756 1.00 0.00 C ATOM 1193 O ALA B 29 4.219 2.080 -3.588 1.00 0.00 O ATOM 1194 CB ALA B 29 5.055 -0.651 -1.951 1.00 0.00 C ATOM 0 H ALA B 29 5.268 -2.023 -4.012 1.00 0.00 H new ATOM 0 HA ALA B 29 3.312 -0.234 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.836 0.113 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.671 -1.612 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.133 -0.721 -2.093 1.00 0.00 H new ATOM 1200 N LEU B 30 6.081 1.118 -4.370 1.00 0.00 N ATOM 1201 CA LEU B 30 6.665 2.354 -4.869 1.00 0.00 C ATOM 1202 C LEU B 30 5.837 2.953 -6.000 1.00 0.00 C ATOM 1203 O LEU B 30 5.901 4.168 -6.181 1.00 0.00 O ATOM 1204 CB LEU B 30 8.115 2.127 -5.320 1.00 0.00 C ATOM 1205 CG LEU B 30 9.109 2.111 -4.154 1.00 0.00 C ATOM 1206 CD1 LEU B 30 10.424 1.479 -4.620 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.350 3.541 -3.644 1.00 0.00 C ATOM 0 H LEU B 30 6.658 0.293 -4.533 1.00 0.00 H new ATOM 0 HA LEU B 30 6.665 3.070 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.179 1.181 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.399 2.912 -6.021 1.00 0.00 H new ATOM 0 HG LEU B 30 8.699 1.521 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.134 1.466 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU B 30 10.238 0.459 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.836 2.062 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.058 3.517 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU B 30 9.756 4.151 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU B 30 8.407 3.970 -3.304 1.00 0.00 H new ATOM 1219 N VAL B 31 5.115 2.163 -6.799 1.00 0.00 N ATOM 1220 CA VAL B 31 4.292 2.716 -7.872 1.00 0.00 C ATOM 1221 C VAL B 31 3.090 3.388 -7.213 1.00 0.00 C ATOM 1222 O VAL B 31 2.865 4.584 -7.383 1.00 0.00 O ATOM 1223 CB VAL B 31 3.831 1.635 -8.877 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.079 2.283 -10.050 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.993 0.816 -9.450 1.00 0.00 C ATOM 0 H VAL B 31 5.085 1.146 -6.723 1.00 0.00 H new ATOM 0 HA VAL B 31 4.877 3.431 -8.451 1.00 0.00 H new ATOM 0 HB VAL B 31 3.181 0.962 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.760 1.510 -10.749 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.205 2.814 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.738 2.985 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.606 0.074 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.683 1.479 -9.971 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.517 0.311 -8.639 1.00 0.00 H new ATOM 1235 N ILE B 32 2.359 2.624 -6.403 1.00 0.00 N ATOM 1236 CA ILE B 32 1.161 3.063 -5.706 1.00 0.00 C ATOM 1237 C ILE B 32 1.454 4.196 -4.708 1.00 0.00 C ATOM 1238 O ILE B 32 0.565 4.988 -4.402 1.00 0.00 O ATOM 1239 CB ILE B 32 0.469 1.825 -5.095 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.157 0.750 -6.176 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.836 2.271 -4.422 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.185 -0.642 -5.638 1.00 0.00 C ATOM 0 H ILE B 32 2.596 1.651 -6.210 1.00 0.00 H new ATOM 0 HA ILE B 32 0.460 3.517 -6.406 1.00 0.00 H new ATOM 0 HB ILE B 32 1.143 1.376 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.677 1.101 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.019 0.664 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.335 1.405 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.612 2.994 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.489 2.731 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.385 -1.315 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.654 -1.024 -5.057 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.068 -0.579 -5.002 1.00 0.00 H new ATOM 1254 N ALA B 33 2.683 4.321 -4.203 1.00 0.00 N ATOM 1255 CA ALA B 33 3.074 5.376 -3.282 1.00 0.00 C ATOM 1256 C ALA B 33 3.543 6.610 -4.063 1.00 0.00 C ATOM 1257 O ALA B 33 4.011 7.573 -3.452 1.00 0.00 O ATOM 1258 CB ALA B 33 4.160 4.874 -2.334 1.00 0.00 C ATOM 0 H ALA B 33 3.442 3.679 -4.430 1.00 0.00 H new ATOM 0 HA ALA B 33 2.212 5.664 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.444 5.674 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.781 4.026 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.031 4.564 -2.911 1.00 0.00 H new ATOM 1264 N HIS B 34 3.424 6.597 -5.396 1.00 0.00 N ATOM 1265 CA HIS B 34 3.832 7.655 -6.307 1.00 0.00 C ATOM 1266 C HIS B 34 5.309 7.977 -6.035 1.00 0.00 C ATOM 1267 O HIS B 34 5.648 9.103 -5.687 1.00 0.00 O ATOM 1268 CB HIS B 34 2.885 8.873 -6.209 1.00 0.00 C ATOM 1269 CG HIS B 34 1.400 8.591 -6.340 1.00 0.00 C ATOM 1270 ND1 HIS B 34 0.390 9.385 -5.837 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.804 7.545 -6.998 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -0.783 8.832 -6.186 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -0.585 7.711 -6.901 1.00 0.00 N ATOM 0 H HIS B 34 3.017 5.801 -5.888 1.00 0.00 H new ATOM 0 HA HIS B 34 3.750 7.332 -7.345 1.00 0.00 H new ATOM 0 HB2 HIS B 34 3.056 9.361 -5.249 1.00 0.00 H new ATOM 0 HB3 HIS B 34 3.166 9.586 -6.984 1.00 0.00 H new ATOM 0 HD2 HIS B 34 1.314 6.737 -7.501 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -1.752 9.233 -5.928 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.302 7.102 -7.295 1.00 0.00 H new ATOM 1281 N ASN B 35 6.184 6.970 -6.167 1.00 0.00 N ATOM 1282 CA ASN B 35 7.642 6.994 -5.957 1.00 0.00 C ATOM 1283 C ASN B 35 8.060 7.388 -4.528 1.00 0.00 C ATOM 1284 O ASN B 35 9.256 7.542 -4.268 1.00 0.00 O ATOM 1285 CB ASN B 35 8.370 7.864 -7.006 1.00 0.00 C ATOM 1286 CG ASN B 35 8.373 7.285 -8.416 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.417 7.468 -9.168 1.00 0.00 O ATOM 1288 ND2 ASN B 35 9.434 6.605 -8.823 1.00 0.00 N ATOM 0 H ASN B 35 5.866 6.042 -6.446 1.00 0.00 H new ATOM 0 HA ASN B 35 7.960 5.961 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.901 8.848 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.401 8.011 -6.685 1.00 0.00 H new ATOM 0 HD21 ASN B 35 9.465 6.226 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.220 6.460 -8.190 1.00 0.00 H new ATOM 1295 N ASN B 36 7.131 7.534 -3.577 1.00 0.00 N ATOM 1296 CA ASN B 36 7.470 7.924 -2.211 1.00 0.00 C ATOM 1297 C ASN B 36 7.937 6.719 -1.386 1.00 0.00 C ATOM 1298 O ASN B 36 7.114 5.901 -0.971 1.00 0.00 O ATOM 1299 CB ASN B 36 6.284 8.626 -1.546 1.00 0.00 C ATOM 1300 CG ASN B 36 6.676 9.253 -0.215 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.820 9.173 0.232 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.724 9.885 0.440 1.00 0.00 N ATOM 0 H ASN B 36 6.134 7.386 -3.733 1.00 0.00 H new ATOM 0 HA ASN B 36 8.302 8.627 -2.255 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.897 9.397 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.479 7.909 -1.387 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.927 10.322 1.339 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.784 9.937 0.048 1.00 0.00 H new ATOM 1309 N ILE B 37 9.245 6.601 -1.144 1.00 0.00 N ATOM 1310 CA ILE B 37 9.832 5.501 -0.376 1.00 0.00 C ATOM 1311 C ILE B 37 9.292 5.445 1.062 1.00 0.00 C ATOM 1312 O ILE B 37 9.031 4.355 1.559 1.00 0.00 O ATOM 1313 CB ILE B 37 11.379 5.586 -0.430 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.095 4.339 0.136 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.929 6.832 0.282 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.193 3.177 -0.857 1.00 0.00 C ATOM 0 H ILE B 37 9.934 7.274 -1.480 1.00 0.00 H new ATOM 0 HA ILE B 37 9.531 4.560 -0.836 1.00 0.00 H new ATOM 0 HB ILE B 37 11.597 5.649 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.100 4.621 0.451 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.565 4.000 1.026 1.00 0.00 H new ATOM 0 HG21 ILE B 37 13.017 6.840 0.213 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.529 7.728 -0.192 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.632 6.813 1.331 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.708 2.339 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.191 2.867 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.750 3.497 -1.738 1.00 0.00 H new ATOM 1328 N GLU B 38 9.093 6.586 1.729 1.00 0.00 N ATOM 1329 CA GLU B 38 8.601 6.648 3.108 1.00 0.00 C ATOM 1330 C GLU B 38 7.239 5.979 3.225 1.00 0.00 C ATOM 1331 O GLU B 38 7.003 5.155 4.112 1.00 0.00 O ATOM 1332 CB GLU B 38 8.510 8.115 3.554 1.00 0.00 C ATOM 1333 CG GLU B 38 9.893 8.732 3.761 1.00 0.00 C ATOM 1334 CD GLU B 38 10.481 8.281 5.090 1.00 0.00 C ATOM 1335 OE1 GLU B 38 11.047 7.166 5.163 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.371 9.035 6.083 1.00 0.00 O ATOM 0 H GLU B 38 9.271 7.504 1.321 1.00 0.00 H new ATOM 0 HA GLU B 38 9.298 6.115 3.755 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.964 8.689 2.805 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.941 8.178 4.482 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.554 8.440 2.945 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.820 9.819 3.738 1.00 0.00 H new ATOM 1343 N MET B 39 6.359 6.341 2.300 1.00 0.00 N ATOM 1344 CA MET B 39 5.008 5.837 2.203 1.00 0.00 C ATOM 1345 C MET B 39 5.064 4.351 1.851 1.00 0.00 C ATOM 1346 O MET B 39 4.411 3.545 2.508 1.00 0.00 O ATOM 1347 CB MET B 39 4.306 6.707 1.164 1.00 0.00 C ATOM 1348 CG MET B 39 2.788 6.619 1.082 1.00 0.00 C ATOM 1349 SD MET B 39 2.167 8.006 0.084 1.00 0.00 S ATOM 1350 CE MET B 39 0.455 8.067 0.646 1.00 0.00 C ATOM 0 H MET B 39 6.582 7.020 1.572 1.00 0.00 H new ATOM 0 HA MET B 39 4.444 5.896 3.134 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.572 7.746 1.360 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.711 6.453 0.184 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.490 5.671 0.635 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.355 6.651 2.082 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.046 8.924 0.195 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.057 7.151 0.352 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.432 8.163 1.732 1.00 0.00 H new ATOM 1360 N ALA B 40 5.888 3.962 0.870 1.00 0.00 N ATOM 1361 CA ALA B 40 6.026 2.571 0.459 1.00 0.00 C ATOM 1362 C ALA B 40 6.501 1.689 1.623 1.00 0.00 C ATOM 1363 O ALA B 40 6.003 0.572 1.773 1.00 0.00 O ATOM 1364 CB ALA B 40 6.975 2.473 -0.740 1.00 0.00 C ATOM 0 H ALA B 40 6.475 4.608 0.342 1.00 0.00 H new ATOM 0 HA ALA B 40 5.047 2.199 0.157 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.073 1.430 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.574 3.055 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.954 2.864 -0.462 1.00 0.00 H new ATOM 1370 N LYS B 41 7.435 2.174 2.458 1.00 0.00 N ATOM 1371 CA LYS B 41 7.935 1.427 3.620 1.00 0.00 C ATOM 1372 C LYS B 41 6.736 1.072 4.503 1.00 0.00 C ATOM 1373 O LYS B 41 6.612 -0.069 4.949 1.00 0.00 O ATOM 1374 CB LYS B 41 8.969 2.248 4.427 1.00 0.00 C ATOM 1375 CG LYS B 41 10.376 2.305 3.803 1.00 0.00 C ATOM 1376 CD LYS B 41 11.304 3.312 4.514 1.00 0.00 C ATOM 1377 CE LYS B 41 12.691 3.241 3.861 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.732 4.067 4.500 1.00 0.00 N ATOM 0 H LYS B 41 7.863 3.093 2.345 1.00 0.00 H new ATOM 0 HA LYS B 41 8.443 0.526 3.277 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.595 3.266 4.540 1.00 0.00 H new ATOM 0 HB3 LYS B 41 9.048 1.824 5.428 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.826 1.313 3.841 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.291 2.576 2.751 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.899 4.321 4.435 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.373 3.079 5.576 1.00 0.00 H new ATOM 0 HE2 LYS B 41 13.022 2.203 3.863 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.599 3.544 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.661 3.826 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.531 5.073 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 13.739 3.886 5.524 1.00 0.00 H new ATOM 1392 N ASN B 42 5.846 2.042 4.743 1.00 0.00 N ATOM 1393 CA ASN B 42 4.649 1.856 5.558 1.00 0.00 C ATOM 1394 C ASN B 42 3.696 0.826 4.949 1.00 0.00 C ATOM 1395 O ASN B 42 3.108 0.065 5.708 1.00 0.00 O ATOM 1396 CB ASN B 42 3.915 3.183 5.798 1.00 0.00 C ATOM 1397 CG ASN B 42 4.676 4.109 6.735 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.073 3.715 7.836 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.887 5.354 6.356 1.00 0.00 N ATOM 0 H ASN B 42 5.942 2.987 4.371 1.00 0.00 H new ATOM 0 HA ASN B 42 4.987 1.473 6.521 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.759 3.686 4.844 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.929 2.979 6.216 1.00 0.00 H new ATOM 0 HD21 ASN B 42 5.381 5.998 6.974 1.00 0.00 H new ATOM 0 HD22 ASN B 42 4.556 5.673 5.445 1.00 0.00 H new ATOM 1406 N ILE B 43 3.534 0.770 3.620 1.00 0.00 N ATOM 1407 CA ILE B 43 2.644 -0.202 2.967 1.00 0.00 C ATOM 1408 C ILE B 43 3.123 -1.602 3.343 1.00 0.00 C ATOM 1409 O ILE B 43 2.387 -2.403 3.925 1.00 0.00 O ATOM 1410 CB ILE B 43 2.577 0.011 1.433 1.00 0.00 C ATOM 1411 CG1 ILE B 43 2.033 1.421 1.123 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.686 -1.068 0.791 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.933 1.798 -0.352 1.00 0.00 C ATOM 0 H ILE B 43 4.013 1.393 2.970 1.00 0.00 H new ATOM 0 HA ILE B 43 1.621 -0.063 3.317 1.00 0.00 H new ATOM 0 HB ILE B 43 3.579 -0.074 1.014 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.041 1.510 1.567 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.672 2.151 1.620 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.644 -0.911 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.102 -2.054 0.998 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.680 -1.004 1.206 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.538 2.810 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.922 1.752 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.267 1.102 -0.861 1.00 0.00 H new ATOM 1425 N LEU B 44 4.389 -1.874 3.028 1.00 0.00 N ATOM 1426 CA LEU B 44 5.061 -3.135 3.284 1.00 0.00 C ATOM 1427 C LEU B 44 5.014 -3.489 4.767 1.00 0.00 C ATOM 1428 O LEU B 44 4.882 -4.662 5.088 1.00 0.00 O ATOM 1429 CB LEU B 44 6.514 -3.035 2.793 1.00 0.00 C ATOM 1430 CG LEU B 44 6.625 -2.824 1.270 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.997 -2.270 0.905 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.389 -4.127 0.507 1.00 0.00 C ATOM 0 H LEU B 44 4.993 -1.191 2.570 1.00 0.00 H new ATOM 0 HA LEU B 44 4.549 -3.931 2.744 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.008 -2.209 3.305 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.047 -3.945 3.067 1.00 0.00 H new ATOM 0 HG LEU B 44 5.854 -2.108 0.985 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.057 -2.128 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.148 -1.314 1.406 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.769 -2.972 1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.475 -3.942 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.132 -4.865 0.808 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.391 -4.504 0.731 1.00 0.00 H new ATOM 1444 N ARG B 45 5.086 -2.497 5.659 1.00 0.00 N ATOM 1445 CA ARG B 45 5.062 -2.688 7.106 1.00 0.00 C ATOM 1446 C ARG B 45 3.765 -3.285 7.639 1.00 0.00 C ATOM 1447 O ARG B 45 3.813 -3.926 8.685 1.00 0.00 O ATOM 1448 CB ARG B 45 5.339 -1.343 7.794 1.00 0.00 C ATOM 1449 CG ARG B 45 5.437 -1.481 9.313 1.00 0.00 C ATOM 1450 CD ARG B 45 6.057 -0.232 9.923 1.00 0.00 C ATOM 1451 NE ARG B 45 6.399 -0.500 11.317 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.392 0.055 12.005 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.037 1.119 11.541 1.00 0.00 N ATOM 1454 NH2 ARG B 45 7.723 -0.499 13.163 1.00 0.00 N ATOM 0 H ARG B 45 5.164 -1.517 5.385 1.00 0.00 H new ATOM 0 HA ARG B 45 5.838 -3.418 7.336 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.268 -0.924 7.408 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.545 -0.639 7.545 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.445 -1.644 9.734 1.00 0.00 H new ATOM 0 HG3 ARG B 45 6.039 -2.354 9.567 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.949 0.056 9.366 1.00 0.00 H new ATOM 0 HD3 ARG B 45 5.359 0.603 9.861 1.00 0.00 H new ATOM 0 HE ARG B 45 5.820 -1.179 11.811 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.773 1.524 10.643 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.796 1.531 12.083 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.221 -1.322 13.497 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.480 -0.102 13.720 1.00 0.00 H new ATOM 1468 N GLU B 46 2.628 -3.093 6.980 1.00 0.00 N ATOM 1469 CA GLU B 46 1.367 -3.629 7.482 1.00 0.00 C ATOM 1470 C GLU B 46 0.866 -4.775 6.611 1.00 0.00 C ATOM 1471 O GLU B 46 0.493 -5.834 7.130 1.00 0.00 O ATOM 1472 CB GLU B 46 0.347 -2.485 7.599 1.00 0.00 C ATOM 1473 CG GLU B 46 0.751 -1.411 8.630 1.00 0.00 C ATOM 1474 CD GLU B 46 0.773 -1.929 10.068 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.319 -2.014 10.672 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.863 -2.224 10.622 1.00 0.00 O ATOM 0 H GLU B 46 2.552 -2.575 6.105 1.00 0.00 H new ATOM 0 HA GLU B 46 1.518 -4.054 8.474 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.225 -2.015 6.623 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.622 -2.899 7.876 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.738 -1.026 8.375 1.00 0.00 H new ATOM 0 HG3 GLU B 46 0.056 -0.574 8.564 1.00 0.00 H new ATOM 1483 N PHE B 47 0.864 -4.571 5.294 1.00 0.00 N ATOM 1484 CA PHE B 47 0.398 -5.562 4.342 1.00 0.00 C ATOM 1485 C PHE B 47 1.385 -6.720 4.214 1.00 0.00 C ATOM 1486 O PHE B 47 1.025 -7.879 4.427 1.00 0.00 O ATOM 1487 CB PHE B 47 0.107 -4.880 2.999 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.192 -4.104 3.061 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.233 -2.769 3.519 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -2.393 -4.782 2.779 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -2.471 -2.137 3.707 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -3.625 -4.143 2.960 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.660 -2.821 3.426 1.00 0.00 C ATOM 0 H PHE B 47 1.189 -3.706 4.861 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.531 -6.003 4.704 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.926 -4.208 2.742 1.00 0.00 H new ATOM 0 HB3 PHE B 47 0.051 -5.630 2.210 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.316 -2.237 3.724 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.364 -5.801 2.421 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -2.507 -1.120 4.069 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.544 -4.666 2.742 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.610 -2.327 3.569 1.00 0.00 H new ATOM 1503 N SER B 48 2.618 -6.416 3.818 1.00 0.00 N ATOM 1504 CA SER B 48 3.636 -7.437 3.653 1.00 0.00 C ATOM 1505 C SER B 48 4.294 -7.775 4.999 1.00 0.00 C ATOM 1506 O SER B 48 3.951 -7.229 6.054 1.00 0.00 O ATOM 1507 CB SER B 48 4.639 -7.004 2.577 1.00 0.00 C ATOM 1508 OG SER B 48 5.106 -8.185 1.948 1.00 0.00 O ATOM 0 H SER B 48 2.932 -5.469 3.606 1.00 0.00 H new ATOM 0 HA SER B 48 3.176 -8.362 3.305 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.165 -6.342 1.852 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.466 -6.450 3.021 1.00 0.00 H new ATOM 0 HG SER B 48 5.752 -7.950 1.249 1.00 0.00 H new