USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 563 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 18 GLN : amide:sc= 0.328 K(o=1.4,f=0.82) USER MOD Set 1.2: B 164 CYS SG : rot -20:sc= 1.09 USER MOD Set 2.1: A 14 GLN : amide:sc= -0.0691 K(o=-0.49,f=-5.4!) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.419 K(o=-0.49,f=-4.5!) USER MOD Set 3.1: A 12 ASN : amide:sc= 0.54 K(o=0.94,f=-2.8) USER MOD Set 3.2: A 42 GLN : amide:sc= 0.4 K(o=0.94,f=-2.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -167:sc= 0 (180deg=-0.0791) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 147:sc= 1.41 USER MOD Single : A 20 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.29) USER MOD Single : A 22 TYR OH : rot 15:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 26 GLN : amide:sc= -0.369 X(o=-0.37,f=0.068) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.709 K(o=-0.71,f=-7.3!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.27) USER MOD Single : A 34 GLN : amide:sc= 0.74 K(o=0.74,f=-0.73) USER MOD Single : A 35 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.23) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 46 TYR OH : rot -64:sc= 1.19 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 48 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 49 TYR OH : rot -164:sc= -0.356 USER MOD Single : A 50 MET CE :methyl -156:sc= -0.0212 (180deg=-0.052) USER MOD Single : A 51 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.17) USER MOD Single : A 52 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.46) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 161 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 165 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 170 LYS NZ :NH3+ 174:sc= 2.12 (180deg=2.08) USER MOD Single : B 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LYS A 4 7.118 2.422 7.102 1.00 25.00 N ATOM 54 CA LYS A 4 7.162 3.387 8.211 1.00 25.00 C ATOM 55 C LYS A 4 8.148 4.521 7.918 1.00 25.00 C ATOM 56 O LYS A 4 7.914 5.657 8.329 1.00 25.00 O ATOM 57 CB LYS A 4 7.547 2.660 9.517 1.00 25.00 C ATOM 58 CG LYS A 4 7.882 3.571 10.700 1.00 25.00 C ATOM 59 CD LYS A 4 8.198 2.748 11.939 1.00 25.00 C ATOM 60 CE LYS A 4 8.633 3.643 13.103 1.00 25.00 C ATOM 61 NZ LYS A 4 8.915 2.848 14.353 1.00 25.00 N ATOM 0 HA LYS A 4 6.173 3.830 8.325 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.724 2.006 9.805 1.00 25.00 H new ATOM 0 HB3 LYS A 4 8.407 2.021 9.317 1.00 25.00 H new ATOM 0 HG2 LYS A 4 8.735 4.202 10.449 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.042 4.235 10.903 1.00 25.00 H new ATOM 0 HD2 LYS A 4 7.320 2.171 12.229 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.989 2.033 11.712 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.526 4.199 12.818 1.00 25.00 H new ATOM 0 HE3 LYS A 4 7.853 4.376 13.308 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.206 3.492 15.116 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 8.056 2.337 14.640 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.678 2.166 14.166 1.00 25.00 H new ATOM 75 N GLN A 5 9.230 4.235 7.209 1.00 25.00 N ATOM 76 CA GLN A 5 10.231 5.257 6.889 1.00 25.00 C ATOM 77 C GLN A 5 9.610 6.390 6.089 1.00 25.00 C ATOM 78 O GLN A 5 9.881 7.551 6.372 1.00 25.00 O ATOM 79 CB GLN A 5 11.393 4.650 6.093 1.00 25.00 C ATOM 80 CG GLN A 5 12.322 3.769 6.917 1.00 25.00 C ATOM 81 CD GLN A 5 13.125 2.803 6.063 1.00 25.00 C ATOM 82 OE1 GLN A 5 13.180 1.619 6.347 1.00 25.00 O ATOM 83 NE2 GLN A 5 13.737 3.299 5.021 1.00 25.00 N ATOM 0 H GLN A 5 9.442 3.307 6.842 1.00 25.00 H new ATOM 0 HA GLN A 5 10.611 5.653 7.831 1.00 25.00 H new ATOM 0 HB2 GLN A 5 10.987 4.061 5.271 1.00 25.00 H new ATOM 0 HB3 GLN A 5 11.975 5.457 5.649 1.00 25.00 H new ATOM 0 HG2 GLN A 5 13.006 4.400 7.485 1.00 25.00 H new ATOM 0 HG3 GLN A 5 11.734 3.205 7.641 1.00 25.00 H new ATOM 0 HE21 GLN A 5 13.668 4.296 4.815 1.00 25.00 H new ATOM 0 HE22 GLN A 5 14.284 2.690 4.413 1.00 25.00 H new ATOM 92 N GLN A 6 8.746 6.068 5.130 1.00 25.00 N ATOM 93 CA GLN A 6 8.101 7.106 4.327 1.00 25.00 C ATOM 94 C GLN A 6 7.230 7.999 5.212 1.00 25.00 C ATOM 95 O GLN A 6 7.163 9.208 5.003 1.00 25.00 O ATOM 96 CB GLN A 6 7.280 6.498 3.167 1.00 25.00 C ATOM 97 CG GLN A 6 5.786 6.314 3.429 1.00 25.00 C ATOM 98 CD GLN A 6 5.109 5.482 2.375 1.00 25.00 C ATOM 99 OE1 GLN A 6 4.866 5.935 1.273 1.00 25.00 O ATOM 100 NE2 GLN A 6 4.788 4.267 2.716 1.00 25.00 N ATOM 0 H GLN A 6 8.479 5.113 4.891 1.00 25.00 H new ATOM 0 HA GLN A 6 8.882 7.721 3.880 1.00 25.00 H new ATOM 0 HB2 GLN A 6 7.399 7.135 2.291 1.00 25.00 H new ATOM 0 HB3 GLN A 6 7.707 5.527 2.916 1.00 25.00 H new ATOM 0 HG2 GLN A 6 5.648 5.843 4.402 1.00 25.00 H new ATOM 0 HG3 GLN A 6 5.307 7.292 3.477 1.00 25.00 H new ATOM 0 HE21 GLN A 6 5.009 3.924 3.651 1.00 25.00 H new ATOM 0 HE22 GLN A 6 4.315 3.658 2.048 1.00 25.00 H new ATOM 109 N ILE A 7 6.616 7.424 6.239 1.00 25.00 N ATOM 110 CA ILE A 7 5.769 8.204 7.132 1.00 25.00 C ATOM 111 C ILE A 7 6.643 9.148 7.927 1.00 25.00 C ATOM 112 O ILE A 7 6.410 10.338 7.941 1.00 25.00 O ATOM 113 CB ILE A 7 4.974 7.315 8.141 1.00 25.00 C ATOM 114 CG1 ILE A 7 4.235 6.169 7.428 1.00 25.00 C ATOM 115 CG2 ILE A 7 3.972 8.173 8.951 1.00 25.00 C ATOM 116 CD1 ILE A 7 3.221 6.565 6.354 1.00 25.00 C ATOM 0 H ILE A 7 6.687 6.434 6.472 1.00 25.00 H new ATOM 0 HA ILE A 7 5.048 8.737 6.512 1.00 25.00 H new ATOM 0 HB ILE A 7 5.697 6.872 8.826 1.00 25.00 H new ATOM 0 HG12 ILE A 7 4.979 5.519 6.969 1.00 25.00 H new ATOM 0 HG13 ILE A 7 3.717 5.577 8.183 1.00 25.00 H new ATOM 0 HG21 ILE A 7 3.428 7.536 9.648 1.00 25.00 H new ATOM 0 HG22 ILE A 7 4.514 8.938 9.506 1.00 25.00 H new ATOM 0 HG23 ILE A 7 3.267 8.650 8.270 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.771 5.667 5.930 1.00 25.00 H new ATOM 0 HD12 ILE A 7 2.443 7.185 6.799 1.00 25.00 H new ATOM 0 HD13 ILE A 7 3.725 7.125 5.567 1.00 25.00 H new ATOM 128 N MET A 8 7.661 8.623 8.589 1.00 25.00 N ATOM 129 CA MET A 8 8.496 9.455 9.449 1.00 25.00 C ATOM 130 C MET A 8 9.207 10.557 8.671 1.00 25.00 C ATOM 131 O MET A 8 9.349 11.667 9.179 1.00 25.00 O ATOM 132 CB MET A 8 9.502 8.598 10.215 1.00 25.00 C ATOM 133 CG MET A 8 8.824 7.548 11.102 1.00 25.00 C ATOM 134 SD MET A 8 9.962 6.841 12.286 1.00 25.00 S ATOM 135 CE MET A 8 9.823 8.034 13.602 1.00 25.00 C ATOM 0 H MET A 8 7.929 7.640 8.551 1.00 25.00 H new ATOM 0 HA MET A 8 7.835 9.944 10.165 1.00 25.00 H new ATOM 0 HB2 MET A 8 10.163 8.098 9.506 1.00 25.00 H new ATOM 0 HB3 MET A 8 10.127 9.242 10.833 1.00 25.00 H new ATOM 0 HG2 MET A 8 7.987 8.005 11.631 1.00 25.00 H new ATOM 0 HG3 MET A 8 8.412 6.756 10.477 1.00 25.00 H new ATOM 0 HE1 MET A 8 10.628 7.879 14.320 1.00 25.00 H new ATOM 0 HE2 MET A 8 9.893 9.041 13.190 1.00 25.00 H new ATOM 0 HE3 MET A 8 8.862 7.913 14.103 1.00 25.00 H new ATOM 145 N ALA A 9 9.602 10.280 7.436 1.00 25.00 N ATOM 146 CA ALA A 9 10.217 11.303 6.595 1.00 25.00 C ATOM 147 C ALA A 9 9.200 12.406 6.271 1.00 25.00 C ATOM 148 O ALA A 9 9.530 13.589 6.265 1.00 25.00 O ATOM 149 CB ALA A 9 10.755 10.669 5.299 1.00 25.00 C ATOM 0 H ALA A 9 9.510 9.365 6.995 1.00 25.00 H new ATOM 0 HA ALA A 9 11.051 11.750 7.136 1.00 25.00 H new ATOM 0 HB1 ALA A 9 11.212 11.440 4.679 1.00 25.00 H new ATOM 0 HB2 ALA A 9 11.501 9.913 5.546 1.00 25.00 H new ATOM 0 HB3 ALA A 9 9.934 10.204 4.753 1.00 25.00 H new ATOM 155 N ALA A 10 7.959 12.008 6.020 1.00 25.00 N ATOM 156 CA ALA A 10 6.916 12.946 5.651 1.00 25.00 C ATOM 157 C ALA A 10 6.508 13.788 6.862 1.00 25.00 C ATOM 158 O ALA A 10 6.254 14.982 6.750 1.00 25.00 O ATOM 159 CB ALA A 10 5.734 12.179 5.117 1.00 25.00 C ATOM 0 H ALA A 10 7.653 11.036 6.067 1.00 25.00 H new ATOM 0 HA ALA A 10 7.286 13.621 4.880 1.00 25.00 H new ATOM 0 HB1 ALA A 10 4.944 12.876 4.837 1.00 25.00 H new ATOM 0 HB2 ALA A 10 6.038 11.605 4.242 1.00 25.00 H new ATOM 0 HB3 ALA A 10 5.363 11.501 5.885 1.00 25.00 H new ATOM 165 N LEU A 11 6.466 13.153 8.023 1.00 25.00 N ATOM 166 CA LEU A 11 6.127 13.846 9.264 1.00 25.00 C ATOM 167 C LEU A 11 7.211 14.846 9.586 1.00 25.00 C ATOM 168 O LEU A 11 6.926 15.958 10.020 1.00 25.00 O ATOM 169 CB LEU A 11 6.004 12.866 10.438 1.00 25.00 C ATOM 170 CG LEU A 11 4.866 11.830 10.386 1.00 25.00 C ATOM 171 CD1 LEU A 11 4.754 11.111 11.709 1.00 25.00 C ATOM 172 CD2 LEU A 11 3.562 12.460 10.018 1.00 25.00 C ATOM 0 H LEU A 11 6.662 12.158 8.136 1.00 25.00 H new ATOM 0 HA LEU A 11 5.167 14.343 9.121 1.00 25.00 H new ATOM 0 HB2 LEU A 11 6.947 12.325 10.524 1.00 25.00 H new ATOM 0 HB3 LEU A 11 5.886 13.449 11.351 1.00 25.00 H new ATOM 0 HG LEU A 11 5.109 11.106 9.609 1.00 25.00 H new ATOM 0 HD11 LEU A 11 3.946 10.381 11.659 1.00 25.00 H new ATOM 0 HD12 LEU A 11 5.692 10.600 11.926 1.00 25.00 H new ATOM 0 HD13 LEU A 11 4.543 11.832 12.498 1.00 25.00 H new ATOM 0 HD21 LEU A 11 2.784 11.697 9.992 1.00 25.00 H new ATOM 0 HD22 LEU A 11 3.302 13.218 10.757 1.00 25.00 H new ATOM 0 HD23 LEU A 11 3.647 12.925 9.036 1.00 25.00 H new ATOM 184 N ASN A 12 8.453 14.460 9.350 1.00 25.00 N ATOM 185 CA ASN A 12 9.588 15.350 9.592 1.00 25.00 C ATOM 186 C ASN A 12 9.478 16.598 8.746 1.00 25.00 C ATOM 187 O ASN A 12 9.831 17.667 9.201 1.00 25.00 O ATOM 188 CB ASN A 12 10.907 14.658 9.259 1.00 25.00 C ATOM 189 CG ASN A 12 11.564 14.074 10.461 1.00 25.00 C ATOM 190 OD1 ASN A 12 11.694 14.729 11.480 1.00 25.00 O ATOM 191 ND2 ASN A 12 12.004 12.849 10.358 1.00 25.00 N ATOM 0 H ASN A 12 8.706 13.539 8.992 1.00 25.00 H new ATOM 0 HA ASN A 12 9.571 15.615 10.649 1.00 25.00 H new ATOM 0 HB2 ASN A 12 10.726 13.869 8.529 1.00 25.00 H new ATOM 0 HB3 ASN A 12 11.582 15.375 8.792 1.00 25.00 H new ATOM 0 HD21 ASN A 12 12.476 12.408 11.148 1.00 25.00 H new ATOM 0 HD22 ASN A 12 11.876 12.333 9.488 1.00 25.00 H new ATOM 198 N SER A 13 8.991 16.473 7.522 1.00 25.00 N ATOM 199 CA SER A 13 8.880 17.622 6.631 1.00 25.00 C ATOM 200 C SER A 13 7.964 18.702 7.216 1.00 25.00 C ATOM 201 O SER A 13 8.352 19.863 7.330 1.00 25.00 O ATOM 202 CB SER A 13 8.339 17.183 5.272 1.00 25.00 C ATOM 203 OG SER A 13 8.279 18.287 4.385 1.00 25.00 O ATOM 0 H SER A 13 8.667 15.593 7.122 1.00 25.00 H new ATOM 0 HA SER A 13 9.878 18.044 6.514 1.00 25.00 H new ATOM 0 HB2 SER A 13 8.978 16.406 4.853 1.00 25.00 H new ATOM 0 HB3 SER A 13 7.346 16.750 5.391 1.00 25.00 H new ATOM 0 HG SER A 13 7.932 17.991 3.518 1.00 25.00 H new ATOM 209 N GLN A 14 6.759 18.323 7.616 1.00 25.00 N ATOM 210 CA GLN A 14 5.794 19.319 8.088 1.00 25.00 C ATOM 211 C GLN A 14 6.073 19.823 9.508 1.00 25.00 C ATOM 212 O GLN A 14 5.520 20.841 9.924 1.00 25.00 O ATOM 213 CB GLN A 14 4.361 18.772 7.999 1.00 25.00 C ATOM 214 CG GLN A 14 4.138 17.440 8.709 1.00 25.00 C ATOM 215 CD GLN A 14 2.849 17.407 9.489 1.00 25.00 C ATOM 216 OE1 GLN A 14 2.836 17.010 10.648 1.00 25.00 O ATOM 217 NE2 GLN A 14 1.771 17.818 8.877 1.00 25.00 N ATOM 0 H GLN A 14 6.426 17.359 7.626 1.00 25.00 H new ATOM 0 HA GLN A 14 5.905 20.177 7.425 1.00 25.00 H new ATOM 0 HB2 GLN A 14 3.679 19.510 8.420 1.00 25.00 H new ATOM 0 HB3 GLN A 14 4.096 18.656 6.948 1.00 25.00 H new ATOM 0 HG2 GLN A 14 4.133 16.636 7.973 1.00 25.00 H new ATOM 0 HG3 GLN A 14 4.972 17.249 9.384 1.00 25.00 H new ATOM 0 HE21 GLN A 14 1.825 18.141 7.911 1.00 25.00 H new ATOM 0 HE22 GLN A 14 0.875 17.816 9.365 1.00 25.00 H new ATOM 226 N THR A 15 6.937 19.138 10.248 1.00 25.00 N ATOM 227 CA THR A 15 7.247 19.563 11.617 1.00 25.00 C ATOM 228 C THR A 15 8.691 19.980 11.762 1.00 25.00 C ATOM 229 O THR A 15 9.168 20.166 12.875 1.00 25.00 O ATOM 230 CB THR A 15 6.945 18.465 12.646 1.00 25.00 C ATOM 231 OG1 THR A 15 7.763 17.321 12.398 1.00 25.00 O ATOM 232 CG2 THR A 15 5.509 18.036 12.563 1.00 25.00 C ATOM 0 H THR A 15 7.430 18.301 9.936 1.00 25.00 H new ATOM 0 HA THR A 15 6.603 20.420 11.813 1.00 25.00 H new ATOM 0 HB THR A 15 7.151 18.874 13.635 1.00 25.00 H new ATOM 0 HG1 THR A 15 7.987 16.888 13.248 1.00 25.00 H new ATOM 0 HG21 THR A 15 5.319 17.257 13.302 1.00 25.00 H new ATOM 0 HG22 THR A 15 4.862 18.890 12.762 1.00 25.00 H new ATOM 0 HG23 THR A 15 5.302 17.648 11.565 1.00 25.00 H new ATOM 240 N ALA A 16 9.386 20.139 10.645 1.00 25.00 N ATOM 241 CA ALA A 16 10.803 20.480 10.672 1.00 25.00 C ATOM 242 C ALA A 16 11.045 21.744 11.478 1.00 25.00 C ATOM 243 O ALA A 16 11.814 21.745 12.433 1.00 25.00 O ATOM 244 CB ALA A 16 11.332 20.659 9.225 1.00 25.00 C ATOM 0 H ALA A 16 8.993 20.038 9.709 1.00 25.00 H new ATOM 0 HA ALA A 16 11.342 19.664 11.153 1.00 25.00 H new ATOM 0 HB1 ALA A 16 12.391 20.914 9.254 1.00 25.00 H new ATOM 0 HB2 ALA A 16 11.197 19.730 8.671 1.00 25.00 H new ATOM 0 HB3 ALA A 16 10.780 21.459 8.732 1.00 25.00 H new ATOM 250 N VAL A 17 10.373 22.819 11.110 1.00 25.00 N ATOM 251 CA VAL A 17 10.548 24.093 11.802 1.00 25.00 C ATOM 252 C VAL A 17 9.944 24.023 13.205 1.00 25.00 C ATOM 253 O VAL A 17 10.459 24.630 14.127 1.00 25.00 O ATOM 254 CB VAL A 17 9.937 25.266 10.959 1.00 25.00 C ATOM 255 CG1 VAL A 17 8.416 25.100 10.763 1.00 25.00 C ATOM 256 CG2 VAL A 17 10.255 26.620 11.598 1.00 25.00 C ATOM 0 H VAL A 17 9.703 22.841 10.341 1.00 25.00 H new ATOM 0 HA VAL A 17 11.614 24.294 11.913 1.00 25.00 H new ATOM 0 HB VAL A 17 10.400 25.231 9.973 1.00 25.00 H new ATOM 0 HG11 VAL A 17 8.032 25.933 10.174 1.00 25.00 H new ATOM 0 HG12 VAL A 17 8.216 24.164 10.241 1.00 25.00 H new ATOM 0 HG13 VAL A 17 7.923 25.085 11.735 1.00 25.00 H new ATOM 0 HG21 VAL A 17 9.821 27.418 10.995 1.00 25.00 H new ATOM 0 HG22 VAL A 17 9.835 26.655 12.603 1.00 25.00 H new ATOM 0 HG23 VAL A 17 11.336 26.752 11.651 1.00 25.00 H new ATOM 266 N GLN A 18 8.874 23.260 13.379 1.00 25.00 N ATOM 267 CA GLN A 18 8.203 23.178 14.678 1.00 25.00 C ATOM 268 C GLN A 18 9.112 22.570 15.737 1.00 25.00 C ATOM 269 O GLN A 18 9.240 23.088 16.851 1.00 25.00 O ATOM 270 CB GLN A 18 6.943 22.322 14.566 1.00 25.00 C ATOM 271 CG GLN A 18 5.988 22.778 13.469 1.00 25.00 C ATOM 272 CD GLN A 18 4.635 22.104 13.608 1.00 25.00 C ATOM 273 OE1 GLN A 18 4.064 22.078 14.682 1.00 25.00 O ATOM 274 NE2 GLN A 18 4.144 21.533 12.549 1.00 25.00 N ATOM 0 H GLN A 18 8.451 22.691 12.646 1.00 25.00 H new ATOM 0 HA GLN A 18 7.944 24.194 14.976 1.00 25.00 H new ATOM 0 HB2 GLN A 18 7.232 21.288 14.377 1.00 25.00 H new ATOM 0 HB3 GLN A 18 6.418 22.337 15.521 1.00 25.00 H new ATOM 0 HG2 GLN A 18 5.865 23.860 13.516 1.00 25.00 H new ATOM 0 HG3 GLN A 18 6.414 22.548 12.493 1.00 25.00 H new ATOM 0 HE21 GLN A 18 4.651 21.576 11.665 1.00 25.00 H new ATOM 0 HE22 GLN A 18 3.251 21.042 12.602 1.00 25.00 H new ATOM 283 N PHE A 19 9.762 21.472 15.386 1.00 25.00 N ATOM 284 CA PHE A 19 10.640 20.773 16.313 1.00 25.00 C ATOM 285 C PHE A 19 11.910 21.578 16.505 1.00 25.00 C ATOM 286 O PHE A 19 12.437 21.634 17.606 1.00 25.00 O ATOM 287 CB PHE A 19 10.984 19.366 15.797 1.00 25.00 C ATOM 288 CG PHE A 19 9.802 18.403 15.741 1.00 25.00 C ATOM 289 CD1 PHE A 19 8.541 18.712 16.316 1.00 25.00 C ATOM 290 CD2 PHE A 19 9.967 17.149 15.117 1.00 25.00 C ATOM 291 CE1 PHE A 19 7.476 17.779 16.264 1.00 25.00 C ATOM 292 CE2 PHE A 19 8.903 16.214 15.072 1.00 25.00 C ATOM 293 CZ PHE A 19 7.660 16.535 15.645 1.00 25.00 C ATOM 0 H PHE A 19 9.698 21.044 14.463 1.00 25.00 H new ATOM 0 HA PHE A 19 10.123 20.665 17.267 1.00 25.00 H new ATOM 0 HB2 PHE A 19 11.411 19.454 14.798 1.00 25.00 H new ATOM 0 HB3 PHE A 19 11.755 18.937 16.437 1.00 25.00 H new ATOM 0 HD1 PHE A 19 8.392 19.667 16.798 1.00 25.00 H new ATOM 0 HD2 PHE A 19 10.916 16.898 14.668 1.00 25.00 H new ATOM 0 HE1 PHE A 19 6.521 18.027 16.702 1.00 25.00 H new ATOM 0 HE2 PHE A 19 9.047 15.255 14.597 1.00 25.00 H new ATOM 0 HZ PHE A 19 6.848 15.824 15.608 1.00 25.00 H new ATOM 303 N GLN A 20 12.379 22.217 15.448 1.00 25.00 N ATOM 304 CA GLN A 20 13.584 23.037 15.527 1.00 25.00 C ATOM 305 C GLN A 20 13.386 24.243 16.435 1.00 25.00 C ATOM 306 O GLN A 20 14.239 24.532 17.252 1.00 25.00 O ATOM 307 CB GLN A 20 13.982 23.514 14.133 1.00 25.00 C ATOM 308 CG GLN A 20 14.818 22.498 13.365 1.00 25.00 C ATOM 309 CD GLN A 20 15.173 22.992 11.985 1.00 25.00 C ATOM 310 OE1 GLN A 20 16.305 23.340 11.721 1.00 25.00 O ATOM 311 NE2 GLN A 20 14.207 23.028 11.107 1.00 25.00 N ATOM 0 H GLN A 20 11.948 22.187 14.524 1.00 25.00 H new ATOM 0 HA GLN A 20 14.376 22.418 15.950 1.00 25.00 H new ATOM 0 HB2 GLN A 20 13.081 23.739 13.562 1.00 25.00 H new ATOM 0 HB3 GLN A 20 14.544 24.444 14.221 1.00 25.00 H new ATOM 0 HG2 GLN A 20 15.731 22.285 13.921 1.00 25.00 H new ATOM 0 HG3 GLN A 20 14.267 21.561 13.285 1.00 25.00 H new ATOM 0 HE21 GLN A 20 13.268 22.726 11.369 1.00 25.00 H new ATOM 0 HE22 GLN A 20 14.391 23.358 10.159 1.00 25.00 H new ATOM 320 N GLN A 21 12.266 24.938 16.302 1.00 25.00 N ATOM 321 CA GLN A 21 12.006 26.119 17.118 1.00 25.00 C ATOM 322 C GLN A 21 11.863 25.746 18.584 1.00 25.00 C ATOM 323 O GLN A 21 12.409 26.415 19.458 1.00 25.00 O ATOM 324 CB GLN A 21 10.735 26.826 16.641 1.00 25.00 C ATOM 325 CG GLN A 21 10.925 27.655 15.374 1.00 25.00 C ATOM 326 CD GLN A 21 11.960 28.745 15.543 1.00 25.00 C ATOM 327 OE1 GLN A 21 11.960 29.470 16.524 1.00 25.00 O ATOM 328 NE2 GLN A 21 12.852 28.862 14.586 1.00 25.00 N ATOM 0 H GLN A 21 11.525 24.708 15.640 1.00 25.00 H new ATOM 0 HA GLN A 21 12.855 26.794 17.011 1.00 25.00 H new ATOM 0 HB2 GLN A 21 9.961 26.079 16.462 1.00 25.00 H new ATOM 0 HB3 GLN A 21 10.372 27.476 17.437 1.00 25.00 H new ATOM 0 HG2 GLN A 21 11.223 26.999 14.556 1.00 25.00 H new ATOM 0 HG3 GLN A 21 9.973 28.104 15.091 1.00 25.00 H new ATOM 0 HE21 GLN A 21 12.820 28.237 13.780 1.00 25.00 H new ATOM 0 HE22 GLN A 21 13.576 29.577 14.649 1.00 25.00 H new ATOM 337 N TYR A 22 11.165 24.660 18.870 1.00 25.00 N ATOM 338 CA TYR A 22 11.034 24.220 20.248 1.00 25.00 C ATOM 339 C TYR A 22 12.382 23.786 20.807 1.00 25.00 C ATOM 340 O TYR A 22 12.745 24.122 21.928 1.00 25.00 O ATOM 341 CB TYR A 22 10.042 23.072 20.362 1.00 25.00 C ATOM 342 CG TYR A 22 9.849 22.619 21.791 1.00 25.00 C ATOM 343 CD1 TYR A 22 9.590 23.549 22.819 1.00 25.00 C ATOM 344 CD2 TYR A 22 9.923 21.258 22.128 1.00 25.00 C ATOM 345 CE1 TYR A 22 9.403 23.120 24.164 1.00 25.00 C ATOM 346 CE2 TYR A 22 9.718 20.822 23.467 1.00 25.00 C ATOM 347 CZ TYR A 22 9.457 21.762 24.467 1.00 25.00 C ATOM 348 OH TYR A 22 9.249 21.349 25.753 1.00 25.00 O ATOM 0 H TYR A 22 10.689 24.077 18.182 1.00 25.00 H new ATOM 0 HA TYR A 22 10.663 25.064 20.829 1.00 25.00 H new ATOM 0 HB2 TYR A 22 9.082 23.382 19.949 1.00 25.00 H new ATOM 0 HB3 TYR A 22 10.391 22.232 19.761 1.00 25.00 H new ATOM 0 HD1 TYR A 22 9.533 24.601 22.583 1.00 25.00 H new ATOM 0 HD2 TYR A 22 10.139 20.531 21.359 1.00 25.00 H new ATOM 0 HE1 TYR A 22 9.220 23.844 24.945 1.00 25.00 H new ATOM 0 HE2 TYR A 22 9.764 19.770 23.709 1.00 25.00 H new ATOM 0 HH TYR A 22 8.849 22.079 26.270 1.00 25.00 H new ATOM 358 N ALA A 23 13.152 23.056 20.024 1.00 25.00 N ATOM 359 CA ALA A 23 14.453 22.616 20.481 1.00 25.00 C ATOM 360 C ALA A 23 15.383 23.817 20.707 1.00 25.00 C ATOM 361 O ALA A 23 16.202 23.802 21.616 1.00 25.00 O ATOM 362 CB ALA A 23 15.051 21.637 19.475 1.00 25.00 C ATOM 0 H ALA A 23 12.903 22.759 19.081 1.00 25.00 H new ATOM 0 HA ALA A 23 14.339 22.103 21.436 1.00 25.00 H new ATOM 0 HB1 ALA A 23 16.030 21.309 19.824 1.00 25.00 H new ATOM 0 HB2 ALA A 23 14.394 20.773 19.373 1.00 25.00 H new ATOM 0 HB3 ALA A 23 15.157 22.128 18.508 1.00 25.00 H new ATOM 368 N ALA A 24 15.228 24.859 19.907 1.00 25.00 N ATOM 369 CA ALA A 24 16.038 26.057 20.036 1.00 25.00 C ATOM 370 C ALA A 24 15.667 26.861 21.280 1.00 25.00 C ATOM 371 O ALA A 24 16.539 27.402 21.922 1.00 25.00 O ATOM 372 CB ALA A 24 15.894 26.922 18.776 1.00 25.00 C ATOM 0 H ALA A 24 14.541 24.898 19.154 1.00 25.00 H new ATOM 0 HA ALA A 24 17.078 25.749 20.146 1.00 25.00 H new ATOM 0 HB1 ALA A 24 16.504 27.819 18.879 1.00 25.00 H new ATOM 0 HB2 ALA A 24 16.226 26.356 17.906 1.00 25.00 H new ATOM 0 HB3 ALA A 24 14.850 27.206 18.647 1.00 25.00 H new ATOM 378 N GLN A 25 14.394 26.943 21.639 1.00 25.00 N ATOM 379 CA GLN A 25 14.031 27.720 22.828 1.00 25.00 C ATOM 380 C GLN A 25 14.461 27.002 24.107 1.00 25.00 C ATOM 381 O GLN A 25 14.659 27.626 25.140 1.00 25.00 O ATOM 382 CB GLN A 25 12.531 28.035 22.869 1.00 25.00 C ATOM 383 CG GLN A 25 11.608 26.867 23.214 1.00 25.00 C ATOM 384 CD GLN A 25 10.182 27.302 23.443 1.00 25.00 C ATOM 385 OE1 GLN A 25 9.297 27.000 22.659 1.00 25.00 O ATOM 386 NE2 GLN A 25 9.949 27.997 24.527 1.00 25.00 N ATOM 0 H GLN A 25 13.616 26.501 21.149 1.00 25.00 H new ATOM 0 HA GLN A 25 14.567 28.667 22.765 1.00 25.00 H new ATOM 0 HB2 GLN A 25 12.367 28.829 23.598 1.00 25.00 H new ATOM 0 HB3 GLN A 25 12.237 28.429 21.896 1.00 25.00 H new ATOM 0 HG2 GLN A 25 11.636 26.136 22.406 1.00 25.00 H new ATOM 0 HG3 GLN A 25 11.980 26.367 24.109 1.00 25.00 H new ATOM 0 HE21 GLN A 25 10.716 28.230 25.158 1.00 25.00 H new ATOM 0 HE22 GLN A 25 9.001 28.306 24.741 1.00 25.00 H new ATOM 395 N GLN A 26 14.607 25.689 24.025 1.00 25.00 N ATOM 396 CA GLN A 26 15.023 24.896 25.185 1.00 25.00 C ATOM 397 C GLN A 26 16.540 24.744 25.272 1.00 25.00 C ATOM 398 O GLN A 26 17.106 24.748 26.362 1.00 25.00 O ATOM 399 CB GLN A 26 14.399 23.493 25.135 1.00 25.00 C ATOM 400 CG GLN A 26 12.862 23.455 25.184 1.00 25.00 C ATOM 401 CD GLN A 26 12.257 24.115 26.417 1.00 25.00 C ATOM 402 OE1 GLN A 26 11.221 24.751 26.347 1.00 25.00 O ATOM 403 NE2 GLN A 26 12.880 23.928 27.553 1.00 25.00 N ATOM 0 H GLN A 26 14.446 25.147 23.176 1.00 25.00 H new ATOM 0 HA GLN A 26 14.675 25.437 26.065 1.00 25.00 H new ATOM 0 HB2 GLN A 26 14.729 22.999 24.221 1.00 25.00 H new ATOM 0 HB3 GLN A 26 14.787 22.911 25.971 1.00 25.00 H new ATOM 0 HG2 GLN A 26 12.470 23.947 24.294 1.00 25.00 H new ATOM 0 HG3 GLN A 26 12.535 22.416 25.145 1.00 25.00 H new ATOM 0 HE21 GLN A 26 13.746 23.390 27.577 1.00 25.00 H new ATOM 0 HE22 GLN A 26 12.499 24.320 28.414 1.00 25.00 H new ATOM 412 N TYR A 27 17.178 24.560 24.126 1.00 25.00 N ATOM 413 CA TYR A 27 18.622 24.359 24.061 1.00 25.00 C ATOM 414 C TYR A 27 19.224 25.260 22.991 1.00 25.00 C ATOM 415 O TYR A 27 19.654 24.785 21.934 1.00 25.00 O ATOM 416 CB TYR A 27 18.917 22.893 23.744 1.00 25.00 C ATOM 417 CG TYR A 27 18.214 21.937 24.679 1.00 25.00 C ATOM 418 CD1 TYR A 27 18.618 21.816 26.023 1.00 25.00 C ATOM 419 CD2 TYR A 27 17.131 21.162 24.223 1.00 25.00 C ATOM 420 CE1 TYR A 27 17.942 20.935 26.906 1.00 25.00 C ATOM 421 CE2 TYR A 27 16.457 20.279 25.103 1.00 25.00 C ATOM 422 CZ TYR A 27 16.868 20.173 26.434 1.00 25.00 C ATOM 423 OH TYR A 27 16.215 19.306 27.270 1.00 25.00 O ATOM 0 H TYR A 27 16.714 24.545 23.218 1.00 25.00 H new ATOM 0 HA TYR A 27 19.068 24.614 25.022 1.00 25.00 H new ATOM 0 HB2 TYR A 27 18.614 22.680 22.719 1.00 25.00 H new ATOM 0 HB3 TYR A 27 19.992 22.724 23.800 1.00 25.00 H new ATOM 0 HD1 TYR A 27 19.451 22.400 26.385 1.00 25.00 H new ATOM 0 HD2 TYR A 27 16.811 21.241 23.194 1.00 25.00 H new ATOM 0 HE1 TYR A 27 18.255 20.853 27.936 1.00 25.00 H new ATOM 0 HE2 TYR A 27 15.626 19.689 24.745 1.00 25.00 H new ATOM 0 HH TYR A 27 15.494 18.859 26.779 1.00 25.00 H new ATOM 433 N PRO A 28 19.220 26.578 23.220 1.00 25.00 N ATOM 434 CA PRO A 28 19.697 27.417 22.116 1.00 25.00 C ATOM 435 C PRO A 28 21.173 27.209 21.825 1.00 25.00 C ATOM 436 O PRO A 28 21.990 27.058 22.729 1.00 25.00 O ATOM 437 CB PRO A 28 19.413 28.829 22.614 1.00 25.00 C ATOM 438 CG PRO A 28 19.367 28.705 24.110 1.00 25.00 C ATOM 439 CD PRO A 28 18.772 27.382 24.374 1.00 25.00 C ATOM 0 HA PRO A 28 19.207 27.185 21.170 1.00 25.00 H new ATOM 0 HB2 PRO A 28 20.191 29.524 22.298 1.00 25.00 H new ATOM 0 HB3 PRO A 28 18.470 29.206 22.219 1.00 25.00 H new ATOM 0 HG2 PRO A 28 20.365 28.780 24.542 1.00 25.00 H new ATOM 0 HG3 PRO A 28 18.768 29.501 24.552 1.00 25.00 H new ATOM 0 HD2 PRO A 28 19.122 26.963 25.317 1.00 25.00 H new ATOM 0 HD3 PRO A 28 17.685 27.433 24.432 1.00 25.00 H new ATOM 447 N GLY A 29 21.501 27.149 20.543 1.00 25.00 N ATOM 448 CA GLY A 29 22.877 26.926 20.125 1.00 25.00 C ATOM 449 C GLY A 29 23.393 25.501 20.228 1.00 25.00 C ATOM 450 O GLY A 29 24.333 25.142 19.518 1.00 25.00 O ATOM 0 H GLY A 29 20.836 27.251 19.777 1.00 25.00 H new ATOM 0 HA2 GLY A 29 22.976 27.251 19.089 1.00 25.00 H new ATOM 0 HA3 GLY A 29 23.524 27.567 20.724 1.00 25.00 H new ATOM 454 N ASN A 30 22.824 24.672 21.102 1.00 25.00 N ATOM 455 CA ASN A 30 23.374 23.335 21.307 1.00 25.00 C ATOM 456 C ASN A 30 22.734 22.350 20.343 1.00 25.00 C ATOM 457 O ASN A 30 21.716 21.740 20.644 1.00 25.00 O ATOM 458 CB ASN A 30 23.167 22.897 22.750 1.00 25.00 C ATOM 459 CG ASN A 30 23.981 21.677 23.094 1.00 25.00 C ATOM 460 OD1 ASN A 30 24.114 20.757 22.297 1.00 25.00 O ATOM 461 ND2 ASN A 30 24.542 21.665 24.266 1.00 25.00 N ATOM 0 H ASN A 30 22.004 24.895 21.666 1.00 25.00 H new ATOM 0 HA ASN A 30 24.445 23.358 21.108 1.00 25.00 H new ATOM 0 HB2 ASN A 30 23.438 23.714 23.419 1.00 25.00 H new ATOM 0 HB3 ASN A 30 22.111 22.686 22.916 1.00 25.00 H new ATOM 0 HD21 ASN A 30 25.116 20.871 24.549 1.00 25.00 H new ATOM 0 HD22 ASN A 30 24.408 22.450 24.903 1.00 25.00 H new ATOM 468 N TYR A 31 23.354 22.207 19.186 1.00 25.00 N ATOM 469 CA TYR A 31 22.860 21.310 18.144 1.00 25.00 C ATOM 470 C TYR A 31 22.634 19.888 18.642 1.00 25.00 C ATOM 471 O TYR A 31 21.642 19.259 18.303 1.00 25.00 O ATOM 472 CB TYR A 31 23.868 21.277 16.991 1.00 25.00 C ATOM 473 CG TYR A 31 23.544 20.243 15.932 1.00 25.00 C ATOM 474 CD1 TYR A 31 22.642 20.528 14.887 1.00 25.00 C ATOM 475 CD2 TYR A 31 24.151 18.970 15.969 1.00 25.00 C ATOM 476 CE1 TYR A 31 22.357 19.552 13.888 1.00 25.00 C ATOM 477 CE2 TYR A 31 23.863 17.993 14.983 1.00 25.00 C ATOM 478 CZ TYR A 31 22.974 18.297 13.952 1.00 25.00 C ATOM 479 OH TYR A 31 22.699 17.347 13.007 1.00 25.00 O ATOM 0 H TYR A 31 24.210 22.704 18.938 1.00 25.00 H new ATOM 0 HA TYR A 31 21.895 21.698 17.817 1.00 25.00 H new ATOM 0 HB2 TYR A 31 23.907 22.262 16.525 1.00 25.00 H new ATOM 0 HB3 TYR A 31 24.861 21.075 17.393 1.00 25.00 H new ATOM 0 HD1 TYR A 31 22.162 21.495 14.843 1.00 25.00 H new ATOM 0 HD2 TYR A 31 24.846 18.736 16.761 1.00 25.00 H new ATOM 0 HE1 TYR A 31 21.669 19.779 13.087 1.00 25.00 H new ATOM 0 HE2 TYR A 31 24.329 17.020 15.030 1.00 25.00 H new ATOM 0 HH TYR A 31 23.213 16.535 13.200 1.00 25.00 H new ATOM 489 N GLU A 32 23.540 19.373 19.461 1.00 25.00 N ATOM 490 CA GLU A 32 23.429 17.995 19.923 1.00 25.00 C ATOM 491 C GLU A 32 22.196 17.828 20.798 1.00 25.00 C ATOM 492 O GLU A 32 21.362 16.955 20.565 1.00 25.00 O ATOM 493 CB GLU A 32 24.681 17.612 20.700 1.00 25.00 C ATOM 494 CG GLU A 32 24.752 16.146 21.041 1.00 25.00 C ATOM 495 CD GLU A 32 26.012 15.803 21.805 1.00 25.00 C ATOM 496 OE1 GLU A 32 26.128 16.220 22.978 1.00 25.00 O ATOM 497 OE2 GLU A 32 26.897 15.139 21.227 1.00 25.00 O ATOM 0 H GLU A 32 24.351 19.880 19.816 1.00 25.00 H new ATOM 0 HA GLU A 32 23.330 17.338 19.059 1.00 25.00 H new ATOM 0 HB2 GLU A 32 25.559 17.884 20.115 1.00 25.00 H new ATOM 0 HB3 GLU A 32 24.719 18.193 21.621 1.00 25.00 H new ATOM 0 HG2 GLU A 32 23.881 15.869 21.635 1.00 25.00 H new ATOM 0 HG3 GLU A 32 24.712 15.558 20.124 1.00 25.00 H new ATOM 504 N GLN A 33 22.047 18.713 21.767 1.00 25.00 N ATOM 505 CA GLN A 33 20.890 18.676 22.657 1.00 25.00 C ATOM 506 C GLN A 33 19.588 18.895 21.894 1.00 25.00 C ATOM 507 O GLN A 33 18.551 18.305 22.211 1.00 25.00 O ATOM 508 CB GLN A 33 21.039 19.754 23.721 1.00 25.00 C ATOM 509 CG GLN A 33 21.562 19.241 25.062 1.00 25.00 C ATOM 510 CD GLN A 33 20.767 18.062 25.600 1.00 25.00 C ATOM 511 OE1 GLN A 33 21.324 17.039 25.932 1.00 25.00 O ATOM 512 NE2 GLN A 33 19.467 18.200 25.665 1.00 25.00 N ATOM 0 H GLN A 33 22.708 19.466 21.961 1.00 25.00 H new ATOM 0 HA GLN A 33 20.849 17.690 23.119 1.00 25.00 H new ATOM 0 HB2 GLN A 33 21.716 20.524 23.350 1.00 25.00 H new ATOM 0 HB3 GLN A 33 20.071 20.229 23.879 1.00 25.00 H new ATOM 0 HG2 GLN A 33 22.606 18.947 24.950 1.00 25.00 H new ATOM 0 HG3 GLN A 33 21.536 20.052 25.790 1.00 25.00 H new ATOM 0 HE21 GLN A 33 19.032 19.076 25.377 1.00 25.00 H new ATOM 0 HE22 GLN A 33 18.889 17.431 26.004 1.00 25.00 H new ATOM 521 N GLN A 34 19.653 19.718 20.861 1.00 25.00 N ATOM 522 CA GLN A 34 18.501 19.953 20.010 1.00 25.00 C ATOM 523 C GLN A 34 18.113 18.668 19.300 1.00 25.00 C ATOM 524 O GLN A 34 16.948 18.306 19.301 1.00 25.00 O ATOM 525 CB GLN A 34 18.798 21.054 18.992 1.00 25.00 C ATOM 526 CG GLN A 34 18.713 22.456 19.557 1.00 25.00 C ATOM 527 CD GLN A 34 19.079 23.509 18.537 1.00 25.00 C ATOM 528 OE1 GLN A 34 18.949 23.304 17.339 1.00 25.00 O ATOM 529 NE2 GLN A 34 19.539 24.636 19.006 1.00 25.00 N ATOM 0 H GLN A 34 20.491 20.234 20.592 1.00 25.00 H new ATOM 0 HA GLN A 34 17.668 20.280 20.632 1.00 25.00 H new ATOM 0 HB2 GLN A 34 19.797 20.898 18.585 1.00 25.00 H new ATOM 0 HB3 GLN A 34 18.098 20.965 18.162 1.00 25.00 H new ATOM 0 HG2 GLN A 34 17.701 22.639 19.918 1.00 25.00 H new ATOM 0 HG3 GLN A 34 19.378 22.540 20.417 1.00 25.00 H new ATOM 0 HE21 GLN A 34 19.633 24.769 20.013 1.00 25.00 H new ATOM 0 HE22 GLN A 34 19.805 25.384 18.366 1.00 25.00 H new ATOM 538 N GLN A 35 19.076 17.946 18.742 1.00 25.00 N ATOM 539 CA GLN A 35 18.778 16.685 18.052 1.00 25.00 C ATOM 540 C GLN A 35 18.183 15.660 19.000 1.00 25.00 C ATOM 541 O GLN A 35 17.243 14.971 18.650 1.00 25.00 O ATOM 542 CB GLN A 35 20.055 16.099 17.459 1.00 25.00 C ATOM 543 CG GLN A 35 20.595 16.879 16.291 1.00 25.00 C ATOM 544 CD GLN A 35 19.722 16.773 15.060 1.00 25.00 C ATOM 545 OE1 GLN A 35 19.295 15.694 14.674 1.00 25.00 O ATOM 546 NE2 GLN A 35 19.429 17.893 14.457 1.00 25.00 N ATOM 0 H GLN A 35 20.063 18.203 18.750 1.00 25.00 H new ATOM 0 HA GLN A 35 18.056 16.908 17.266 1.00 25.00 H new ATOM 0 HB2 GLN A 35 20.817 16.052 18.236 1.00 25.00 H new ATOM 0 HB3 GLN A 35 19.860 15.075 17.141 1.00 25.00 H new ATOM 0 HG2 GLN A 35 20.691 17.927 16.573 1.00 25.00 H new ATOM 0 HG3 GLN A 35 21.596 16.520 16.052 1.00 25.00 H new ATOM 0 HE21 GLN A 35 19.804 18.774 14.808 1.00 25.00 H new ATOM 0 HE22 GLN A 35 18.825 17.887 13.635 1.00 25.00 H new ATOM 555 N ILE A 36 18.717 15.569 20.203 1.00 25.00 N ATOM 556 CA ILE A 36 18.206 14.615 21.197 1.00 25.00 C ATOM 557 C ILE A 36 16.725 14.895 21.493 1.00 25.00 C ATOM 558 O ILE A 36 15.909 13.973 21.550 1.00 25.00 O ATOM 559 CB ILE A 36 19.040 14.703 22.522 1.00 25.00 C ATOM 560 CG1 ILE A 36 20.492 14.266 22.246 1.00 25.00 C ATOM 561 CG2 ILE A 36 18.424 13.807 23.632 1.00 25.00 C ATOM 562 CD1 ILE A 36 21.509 14.738 23.293 1.00 25.00 C ATOM 0 H ILE A 36 19.501 16.137 20.525 1.00 25.00 H new ATOM 0 HA ILE A 36 18.302 13.609 20.788 1.00 25.00 H new ATOM 0 HB ILE A 36 19.024 15.736 22.871 1.00 25.00 H new ATOM 0 HG12 ILE A 36 20.526 13.178 22.190 1.00 25.00 H new ATOM 0 HG13 ILE A 36 20.793 14.645 21.269 1.00 25.00 H new ATOM 0 HG21 ILE A 36 19.023 13.888 24.539 1.00 25.00 H new ATOM 0 HG22 ILE A 36 17.405 14.134 23.840 1.00 25.00 H new ATOM 0 HG23 ILE A 36 18.411 12.770 23.297 1.00 25.00 H new ATOM 0 HD11 ILE A 36 22.503 14.385 23.019 1.00 25.00 H new ATOM 0 HD12 ILE A 36 21.509 15.827 23.335 1.00 25.00 H new ATOM 0 HD13 ILE A 36 21.238 14.337 24.270 1.00 25.00 H new ATOM 574 N LEU A 37 16.361 16.159 21.637 1.00 25.00 N ATOM 575 CA LEU A 37 14.961 16.515 21.852 1.00 25.00 C ATOM 576 C LEU A 37 14.128 16.222 20.599 1.00 25.00 C ATOM 577 O LEU A 37 13.040 15.661 20.687 1.00 25.00 O ATOM 578 CB LEU A 37 14.862 17.998 22.230 1.00 25.00 C ATOM 579 CG LEU A 37 13.448 18.556 22.432 1.00 25.00 C ATOM 580 CD1 LEU A 37 12.611 17.718 23.398 1.00 25.00 C ATOM 581 CD2 LEU A 37 13.513 19.989 22.958 1.00 25.00 C ATOM 0 H LEU A 37 17.004 16.950 21.610 1.00 25.00 H new ATOM 0 HA LEU A 37 14.563 15.911 22.667 1.00 25.00 H new ATOM 0 HB2 LEU A 37 15.426 18.155 23.149 1.00 25.00 H new ATOM 0 HB3 LEU A 37 15.352 18.583 21.452 1.00 25.00 H new ATOM 0 HG LEU A 37 12.966 18.526 21.455 1.00 25.00 H new ATOM 0 HD11 LEU A 37 11.621 18.162 23.501 1.00 25.00 H new ATOM 0 HD12 LEU A 37 12.515 16.704 23.011 1.00 25.00 H new ATOM 0 HD13 LEU A 37 13.099 17.690 24.372 1.00 25.00 H new ATOM 0 HD21 LEU A 37 12.502 20.372 23.097 1.00 25.00 H new ATOM 0 HD22 LEU A 37 14.040 20.003 23.912 1.00 25.00 H new ATOM 0 HD23 LEU A 37 14.043 20.616 22.241 1.00 25.00 H new ATOM 593 N ILE A 38 14.655 16.565 19.432 1.00 25.00 N ATOM 594 CA ILE A 38 13.955 16.319 18.169 1.00 25.00 C ATOM 595 C ILE A 38 13.700 14.819 17.977 1.00 25.00 C ATOM 596 O ILE A 38 12.624 14.439 17.546 1.00 25.00 O ATOM 597 CB ILE A 38 14.765 16.903 16.962 1.00 25.00 C ATOM 598 CG1 ILE A 38 14.763 18.444 17.019 1.00 25.00 C ATOM 599 CG2 ILE A 38 14.166 16.444 15.607 1.00 25.00 C ATOM 600 CD1 ILE A 38 15.853 19.121 16.167 1.00 25.00 C ATOM 0 H ILE A 38 15.565 17.015 19.329 1.00 25.00 H new ATOM 0 HA ILE A 38 12.992 16.827 18.208 1.00 25.00 H new ATOM 0 HB ILE A 38 15.786 16.530 17.037 1.00 25.00 H new ATOM 0 HG12 ILE A 38 13.788 18.805 16.691 1.00 25.00 H new ATOM 0 HG13 ILE A 38 14.886 18.756 18.056 1.00 25.00 H new ATOM 0 HG21 ILE A 38 14.750 16.866 14.789 1.00 25.00 H new ATOM 0 HG22 ILE A 38 14.192 15.356 15.548 1.00 25.00 H new ATOM 0 HG23 ILE A 38 13.134 16.787 15.530 1.00 25.00 H new ATOM 0 HD11 ILE A 38 15.775 20.203 16.269 1.00 25.00 H new ATOM 0 HD12 ILE A 38 16.836 18.795 16.507 1.00 25.00 H new ATOM 0 HD13 ILE A 38 15.721 18.845 15.121 1.00 25.00 H new ATOM 612 N ARG A 39 14.638 13.962 18.364 1.00 25.00 N ATOM 613 CA ARG A 39 14.439 12.504 18.257 1.00 25.00 C ATOM 614 C ARG A 39 13.199 12.043 19.015 1.00 25.00 C ATOM 615 O ARG A 39 12.407 11.250 18.502 1.00 25.00 O ATOM 616 CB ARG A 39 15.659 11.738 18.785 1.00 25.00 C ATOM 617 CG ARG A 39 16.862 11.780 17.861 1.00 25.00 C ATOM 618 CD ARG A 39 18.043 11.056 18.490 1.00 25.00 C ATOM 619 NE ARG A 39 19.234 11.120 17.632 1.00 25.00 N ATOM 620 CZ ARG A 39 19.518 10.286 16.635 1.00 25.00 C ATOM 621 NH1 ARG A 39 18.723 9.292 16.306 1.00 25.00 N ATOM 622 NH2 ARG A 39 20.618 10.445 15.962 1.00 25.00 N ATOM 0 H ARG A 39 15.540 14.239 18.753 1.00 25.00 H new ATOM 0 HA ARG A 39 14.304 12.288 17.197 1.00 25.00 H new ATOM 0 HB2 ARG A 39 15.943 12.151 19.753 1.00 25.00 H new ATOM 0 HB3 ARG A 39 15.378 10.698 18.952 1.00 25.00 H new ATOM 0 HG2 ARG A 39 16.611 11.318 16.906 1.00 25.00 H new ATOM 0 HG3 ARG A 39 17.132 12.815 17.652 1.00 25.00 H new ATOM 0 HD2 ARG A 39 18.268 11.499 19.460 1.00 25.00 H new ATOM 0 HD3 ARG A 39 17.778 10.014 18.670 1.00 25.00 H new ATOM 0 HE ARG A 39 19.901 11.869 17.817 1.00 25.00 H new ATOM 0 HH11 ARG A 39 17.856 9.140 16.821 1.00 25.00 H new ATOM 0 HH12 ARG A 39 18.973 8.672 15.535 1.00 25.00 H new ATOM 0 HH21 ARG A 39 21.256 11.205 16.200 1.00 25.00 H new ATOM 0 HH22 ARG A 39 20.844 9.810 15.196 1.00 25.00 H new ATOM 636 N GLN A 40 13.007 12.567 20.220 1.00 25.00 N ATOM 637 CA GLN A 40 11.841 12.211 21.033 1.00 25.00 C ATOM 638 C GLN A 40 10.572 12.701 20.339 1.00 25.00 C ATOM 639 O GLN A 40 9.562 12.011 20.280 1.00 25.00 O ATOM 640 CB GLN A 40 11.933 12.870 22.408 1.00 25.00 C ATOM 641 CG GLN A 40 13.120 12.421 23.225 1.00 25.00 C ATOM 642 CD GLN A 40 13.276 13.224 24.496 1.00 25.00 C ATOM 643 OE1 GLN A 40 12.308 13.514 25.190 1.00 25.00 O ATOM 644 NE2 GLN A 40 14.483 13.620 24.790 1.00 25.00 N ATOM 0 H GLN A 40 13.639 13.238 20.658 1.00 25.00 H new ATOM 0 HA GLN A 40 11.814 11.128 21.152 1.00 25.00 H new ATOM 0 HB2 GLN A 40 11.982 13.951 22.279 1.00 25.00 H new ATOM 0 HB3 GLN A 40 11.020 12.656 22.964 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.008 11.366 23.475 1.00 25.00 H new ATOM 0 HG3 GLN A 40 14.026 12.512 22.626 1.00 25.00 H new ATOM 0 HE21 GLN A 40 15.266 13.360 24.190 1.00 25.00 H new ATOM 0 HE22 GLN A 40 14.645 14.190 25.620 1.00 25.00 H new ATOM 653 N LEU A 41 10.632 13.913 19.811 1.00 25.00 N ATOM 654 CA LEU A 41 9.479 14.504 19.133 1.00 25.00 C ATOM 655 C LEU A 41 9.131 13.718 17.874 1.00 25.00 C ATOM 656 O LEU A 41 7.962 13.510 17.599 1.00 25.00 O ATOM 657 CB LEU A 41 9.755 15.964 18.772 1.00 25.00 C ATOM 658 CG LEU A 41 9.955 16.921 19.964 1.00 25.00 C ATOM 659 CD1 LEU A 41 10.408 18.279 19.450 1.00 25.00 C ATOM 660 CD2 LEU A 41 8.683 17.062 20.793 1.00 25.00 C ATOM 0 H LEU A 41 11.460 14.508 19.836 1.00 25.00 H new ATOM 0 HA LEU A 41 8.632 14.464 19.817 1.00 25.00 H new ATOM 0 HB2 LEU A 41 10.646 16.002 18.146 1.00 25.00 H new ATOM 0 HB3 LEU A 41 8.926 16.333 18.169 1.00 25.00 H new ATOM 0 HG LEU A 41 10.721 16.502 20.617 1.00 25.00 H new ATOM 0 HD11 LEU A 41 10.550 18.958 20.291 1.00 25.00 H new ATOM 0 HD12 LEU A 41 11.348 18.168 18.910 1.00 25.00 H new ATOM 0 HD13 LEU A 41 9.651 18.686 18.780 1.00 25.00 H new ATOM 0 HD21 LEU A 41 8.864 17.744 21.624 1.00 25.00 H new ATOM 0 HD22 LEU A 41 7.883 17.456 20.167 1.00 25.00 H new ATOM 0 HD23 LEU A 41 8.392 16.086 21.182 1.00 25.00 H new ATOM 672 N GLN A 42 10.126 13.249 17.140 1.00 25.00 N ATOM 673 CA GLN A 42 9.885 12.463 15.927 1.00 25.00 C ATOM 674 C GLN A 42 9.183 11.154 16.252 1.00 25.00 C ATOM 675 O GLN A 42 8.199 10.785 15.600 1.00 25.00 O ATOM 676 CB GLN A 42 11.212 12.140 15.236 1.00 25.00 C ATOM 677 CG GLN A 42 11.863 13.335 14.562 1.00 25.00 C ATOM 678 CD GLN A 42 13.309 13.071 14.186 1.00 25.00 C ATOM 679 OE1 GLN A 42 13.997 12.270 14.796 1.00 25.00 O ATOM 680 NE2 GLN A 42 13.772 13.761 13.184 1.00 25.00 N ATOM 0 H GLN A 42 11.112 13.395 17.358 1.00 25.00 H new ATOM 0 HA GLN A 42 9.251 13.059 15.270 1.00 25.00 H new ATOM 0 HB2 GLN A 42 11.903 11.730 15.972 1.00 25.00 H new ATOM 0 HB3 GLN A 42 11.042 11.363 14.491 1.00 25.00 H new ATOM 0 HG2 GLN A 42 11.299 13.595 13.666 1.00 25.00 H new ATOM 0 HG3 GLN A 42 11.815 14.195 15.229 1.00 25.00 H new ATOM 0 HE21 GLN A 42 13.167 14.422 12.697 1.00 25.00 H new ATOM 0 HE22 GLN A 42 14.740 13.640 12.886 1.00 25.00 H new ATOM 689 N GLU A 43 9.682 10.453 17.254 1.00 25.00 N ATOM 690 CA GLU A 43 9.107 9.169 17.642 1.00 25.00 C ATOM 691 C GLU A 43 7.691 9.336 18.169 1.00 25.00 C ATOM 692 O GLU A 43 6.760 8.668 17.703 1.00 25.00 O ATOM 693 CB GLU A 43 9.986 8.506 18.699 1.00 25.00 C ATOM 694 CG GLU A 43 9.356 7.280 19.301 1.00 25.00 C ATOM 695 CD GLU A 43 10.362 6.383 19.976 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.188 6.884 20.767 1.00 25.00 O ATOM 697 OE2 GLU A 43 10.332 5.159 19.698 1.00 25.00 O ATOM 0 H GLU A 43 10.482 10.746 17.815 1.00 25.00 H new ATOM 0 HA GLU A 43 9.063 8.534 16.757 1.00 25.00 H new ATOM 0 HB2 GLU A 43 10.942 8.234 18.251 1.00 25.00 H new ATOM 0 HB3 GLU A 43 10.198 9.225 19.490 1.00 25.00 H new ATOM 0 HG2 GLU A 43 8.601 7.583 20.026 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.842 6.720 18.520 1.00 25.00 H new ATOM 704 N GLN A 44 7.512 10.238 19.118 1.00 25.00 N ATOM 705 CA GLN A 44 6.200 10.468 19.704 1.00 25.00 C ATOM 706 C GLN A 44 5.207 10.977 18.655 1.00 25.00 C ATOM 707 O GLN A 44 4.049 10.563 18.649 1.00 25.00 O ATOM 708 CB GLN A 44 6.295 11.461 20.857 1.00 25.00 C ATOM 709 CG GLN A 44 7.040 10.934 22.078 1.00 25.00 C ATOM 710 CD GLN A 44 6.989 11.913 23.240 1.00 25.00 C ATOM 711 OE1 GLN A 44 7.700 13.014 23.124 1.00 25.00 O flip ATOM 712 NE2 GLN A 44 6.300 11.690 24.219 1.00 25.00 N flip ATOM 0 H GLN A 44 8.256 10.823 19.500 1.00 25.00 H new ATOM 0 HA GLN A 44 5.836 9.515 20.087 1.00 25.00 H new ATOM 0 HB2 GLN A 44 6.793 12.364 20.504 1.00 25.00 H new ATOM 0 HB3 GLN A 44 5.288 11.749 21.157 1.00 25.00 H new ATOM 0 HG2 GLN A 44 6.606 9.983 22.386 1.00 25.00 H new ATOM 0 HG3 GLN A 44 8.079 10.739 21.813 1.00 25.00 H new ATOM 0 HE21 GLN A 44 5.761 10.826 24.277 1.00 25.00 H new ATOM 0 HE22 GLN A 44 6.262 12.367 24.981 1.00 25.00 H new ATOM 721 N HIS A 45 5.652 11.831 17.745 1.00 25.00 N ATOM 722 CA HIS A 45 4.773 12.328 16.679 1.00 25.00 C ATOM 723 C HIS A 45 4.305 11.167 15.832 1.00 25.00 C ATOM 724 O HIS A 45 3.134 11.087 15.513 1.00 25.00 O ATOM 725 CB HIS A 45 5.498 13.352 15.796 1.00 25.00 C ATOM 726 CG HIS A 45 4.632 13.944 14.724 1.00 25.00 C ATOM 727 ND1 HIS A 45 5.142 14.605 13.597 1.00 25.00 N ATOM 728 CD2 HIS A 45 3.280 14.010 14.573 1.00 25.00 C ATOM 729 CE1 HIS A 45 4.124 15.019 12.851 1.00 25.00 C ATOM 730 NE2 HIS A 45 3.008 14.680 13.423 1.00 25.00 N ATOM 0 H HIS A 45 6.604 12.195 17.716 1.00 25.00 H new ATOM 0 HA HIS A 45 3.917 12.822 17.140 1.00 25.00 H new ATOM 0 HB2 HIS A 45 5.881 14.155 16.426 1.00 25.00 H new ATOM 0 HB3 HIS A 45 6.360 12.873 15.331 1.00 25.00 H new ATOM 0 HD2 HIS A 45 2.548 13.599 15.253 1.00 25.00 H new ATOM 0 HE1 HIS A 45 4.210 15.553 11.916 1.00 25.00 H new ATOM 0 HE2 HIS A 45 2.075 14.885 13.065 1.00 25.00 H new ATOM 738 N TYR A 46 5.201 10.260 15.483 1.00 25.00 N ATOM 739 CA TYR A 46 4.804 9.103 14.684 1.00 25.00 C ATOM 740 C TYR A 46 3.803 8.226 15.418 1.00 25.00 C ATOM 741 O TYR A 46 2.796 7.834 14.837 1.00 25.00 O ATOM 742 CB TYR A 46 6.022 8.268 14.295 1.00 25.00 C ATOM 743 CG TYR A 46 5.624 6.977 13.635 1.00 25.00 C ATOM 744 CD1 TYR A 46 5.151 6.959 12.311 1.00 25.00 C ATOM 745 CD2 TYR A 46 5.678 5.756 14.347 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.727 5.753 11.708 1.00 25.00 C ATOM 747 CE2 TYR A 46 5.258 4.545 13.742 1.00 25.00 C ATOM 748 CZ TYR A 46 4.788 4.552 12.429 1.00 25.00 C ATOM 749 OH TYR A 46 4.395 3.378 11.857 1.00 25.00 O ATOM 0 H TYR A 46 6.190 10.295 15.732 1.00 25.00 H new ATOM 0 HA TYR A 46 4.327 9.489 13.783 1.00 25.00 H new ATOM 0 HB2 TYR A 46 6.656 8.842 13.619 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.616 8.054 15.184 1.00 25.00 H new ATOM 0 HD1 TYR A 46 5.111 7.879 11.747 1.00 25.00 H new ATOM 0 HD2 TYR A 46 6.043 5.746 15.363 1.00 25.00 H new ATOM 0 HE1 TYR A 46 4.357 5.757 10.694 1.00 25.00 H new ATOM 0 HE2 TYR A 46 5.302 3.619 14.296 1.00 25.00 H new ATOM 0 HH TYR A 46 3.437 3.418 11.653 1.00 25.00 H new ATOM 759 N GLN A 47 4.054 7.939 16.687 1.00 25.00 N ATOM 760 CA GLN A 47 3.142 7.097 17.463 1.00 25.00 C ATOM 761 C GLN A 47 1.765 7.748 17.566 1.00 25.00 C ATOM 762 O GLN A 47 0.750 7.112 17.279 1.00 25.00 O ATOM 763 CB GLN A 47 3.705 6.840 18.860 1.00 25.00 C ATOM 764 CG GLN A 47 4.957 5.958 18.878 1.00 25.00 C ATOM 765 CD GLN A 47 5.457 5.699 20.285 1.00 25.00 C ATOM 766 OE1 GLN A 47 4.707 5.797 21.242 1.00 25.00 O ATOM 767 NE2 GLN A 47 6.718 5.365 20.420 1.00 25.00 N ATOM 0 H GLN A 47 4.871 8.270 17.201 1.00 25.00 H new ATOM 0 HA GLN A 47 3.040 6.143 16.946 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.941 7.797 19.326 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.934 6.370 19.470 1.00 25.00 H new ATOM 0 HG2 GLN A 47 4.736 5.007 18.392 1.00 25.00 H new ATOM 0 HG3 GLN A 47 5.745 6.437 18.297 1.00 25.00 H new ATOM 0 HE21 GLN A 47 7.317 5.292 19.598 1.00 25.00 H new ATOM 0 HE22 GLN A 47 7.100 5.178 21.347 1.00 25.00 H new ATOM 776 N GLN A 48 1.730 9.023 17.933 1.00 25.00 N ATOM 777 CA GLN A 48 0.479 9.762 18.065 1.00 25.00 C ATOM 778 C GLN A 48 -0.237 9.863 16.726 1.00 25.00 C ATOM 779 O GLN A 48 -1.444 9.685 16.646 1.00 25.00 O ATOM 780 CB GLN A 48 0.755 11.169 18.607 1.00 25.00 C ATOM 781 CG GLN A 48 -0.505 12.012 18.835 1.00 25.00 C ATOM 782 CD GLN A 48 -1.436 11.412 19.861 1.00 25.00 C ATOM 783 OE1 GLN A 48 -1.038 11.100 20.965 1.00 25.00 O ATOM 784 NE2 GLN A 48 -2.677 11.228 19.486 1.00 25.00 N ATOM 0 H GLN A 48 2.563 9.572 18.147 1.00 25.00 H new ATOM 0 HA GLN A 48 -0.162 9.222 18.762 1.00 25.00 H new ATOM 0 HB2 GLN A 48 1.297 11.084 19.549 1.00 25.00 H new ATOM 0 HB3 GLN A 48 1.408 11.693 17.910 1.00 25.00 H new ATOM 0 HG2 GLN A 48 -0.214 13.012 19.157 1.00 25.00 H new ATOM 0 HG3 GLN A 48 -1.037 12.124 17.890 1.00 25.00 H new ATOM 0 HE21 GLN A 48 -2.973 11.504 18.550 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -3.348 10.809 20.130 1.00 25.00 H new ATOM 793 N TYR A 49 0.508 10.135 15.665 1.00 25.00 N ATOM 794 CA TYR A 49 -0.094 10.263 14.344 1.00 25.00 C ATOM 795 C TYR A 49 -0.704 8.956 13.881 1.00 25.00 C ATOM 796 O TYR A 49 -1.807 8.950 13.384 1.00 25.00 O ATOM 797 CB TYR A 49 0.931 10.720 13.308 1.00 25.00 C ATOM 798 CG TYR A 49 0.389 10.663 11.899 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.688 11.484 11.503 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.916 9.754 10.961 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.218 11.407 10.196 1.00 25.00 C ATOM 802 CE2 TYR A 49 0.386 9.678 9.641 1.00 25.00 C ATOM 803 CZ TYR A 49 -0.677 10.513 9.279 1.00 25.00 C ATOM 804 OH TYR A 49 -1.230 10.463 8.030 1.00 25.00 O ATOM 0 H TYR A 49 1.519 10.270 15.690 1.00 25.00 H new ATOM 0 HA TYR A 49 -0.879 11.014 14.433 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.242 11.740 13.534 1.00 25.00 H new ATOM 0 HB3 TYR A 49 1.820 10.093 13.378 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.113 12.181 12.209 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.732 9.107 11.246 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.043 12.042 9.909 1.00 25.00 H new ATOM 0 HE2 TYR A 49 0.801 8.983 8.926 1.00 25.00 H new ATOM 0 HH TYR A 49 -0.943 9.642 7.578 1.00 25.00 H new ATOM 814 N MET A 50 0.002 7.852 14.059 1.00 25.00 N ATOM 815 CA MET A 50 -0.520 6.570 13.604 1.00 25.00 C ATOM 816 C MET A 50 -1.776 6.200 14.383 1.00 25.00 C ATOM 817 O MET A 50 -2.736 5.710 13.807 1.00 25.00 O ATOM 818 CB MET A 50 0.545 5.475 13.757 1.00 25.00 C ATOM 819 CG MET A 50 0.261 4.234 12.923 1.00 25.00 C ATOM 820 SD MET A 50 1.324 4.121 11.450 1.00 25.00 S ATOM 821 CE MET A 50 0.755 5.483 10.428 1.00 25.00 C ATOM 0 H MET A 50 0.919 7.813 14.505 1.00 25.00 H new ATOM 0 HA MET A 50 -0.780 6.657 12.549 1.00 25.00 H new ATOM 0 HB2 MET A 50 1.516 5.881 13.472 1.00 25.00 H new ATOM 0 HB3 MET A 50 0.614 5.190 14.807 1.00 25.00 H new ATOM 0 HG2 MET A 50 0.405 3.346 13.539 1.00 25.00 H new ATOM 0 HG3 MET A 50 -0.784 4.241 12.613 1.00 25.00 H new ATOM 0 HE1 MET A 50 0.994 5.279 9.384 1.00 25.00 H new ATOM 0 HE2 MET A 50 -0.324 5.595 10.538 1.00 25.00 H new ATOM 0 HE3 MET A 50 1.249 6.403 10.740 1.00 25.00 H new ATOM 831 N GLN A 51 -1.801 6.498 15.671 1.00 25.00 N ATOM 832 CA GLN A 51 -2.987 6.248 16.491 1.00 25.00 C ATOM 833 C GLN A 51 -4.149 7.112 16.014 1.00 25.00 C ATOM 834 O GLN A 51 -5.269 6.633 15.849 1.00 25.00 O ATOM 835 CB GLN A 51 -2.701 6.561 17.965 1.00 25.00 C ATOM 836 CG GLN A 51 -1.856 5.504 18.678 1.00 25.00 C ATOM 837 CD GLN A 51 -2.579 4.178 18.806 1.00 25.00 C ATOM 838 OE1 GLN A 51 -3.684 4.112 19.306 1.00 25.00 O ATOM 839 NE2 GLN A 51 -1.956 3.122 18.353 1.00 25.00 N ATOM 0 H GLN A 51 -1.018 6.913 16.176 1.00 25.00 H new ATOM 0 HA GLN A 51 -3.250 5.195 16.393 1.00 25.00 H new ATOM 0 HB2 GLN A 51 -2.190 7.522 18.028 1.00 25.00 H new ATOM 0 HB3 GLN A 51 -3.649 6.669 18.492 1.00 25.00 H new ATOM 0 HG2 GLN A 51 -0.925 5.356 18.130 1.00 25.00 H new ATOM 0 HG3 GLN A 51 -1.588 5.866 19.670 1.00 25.00 H new ATOM 0 HE21 GLN A 51 -1.028 3.215 17.939 1.00 25.00 H new ATOM 0 HE22 GLN A 51 -2.397 2.204 18.413 1.00 25.00 H new ATOM 848 N GLN A 52 -3.888 8.392 15.803 1.00 25.00 N ATOM 849 CA GLN A 52 -4.937 9.323 15.415 1.00 25.00 C ATOM 850 C GLN A 52 -5.447 9.016 14.008 1.00 25.00 C ATOM 851 O GLN A 52 -6.644 8.992 13.771 1.00 25.00 O ATOM 852 CB GLN A 52 -4.408 10.756 15.498 1.00 25.00 C ATOM 853 CG GLN A 52 -5.502 11.812 15.573 1.00 25.00 C ATOM 854 CD GLN A 52 -4.945 13.211 15.640 1.00 25.00 C ATOM 855 OE1 GLN A 52 -3.923 13.456 16.254 1.00 25.00 O ATOM 856 NE2 GLN A 52 -5.602 14.128 14.996 1.00 25.00 N ATOM 0 H GLN A 52 -2.962 8.810 15.893 1.00 25.00 H new ATOM 0 HA GLN A 52 -5.776 9.213 16.102 1.00 25.00 H new ATOM 0 HB2 GLN A 52 -3.768 10.847 16.376 1.00 25.00 H new ATOM 0 HB3 GLN A 52 -3.784 10.954 14.626 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -6.150 11.723 14.701 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -6.122 11.628 16.451 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -6.455 13.885 14.492 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -5.265 15.091 14.994 1.00 25.00 H new ATOM 865 N LEU A 53 -4.537 8.725 13.086 1.00 25.00 N ATOM 866 CA LEU A 53 -4.894 8.379 11.713 1.00 25.00 C ATOM 867 C LEU A 53 -5.736 7.117 11.699 1.00 25.00 C ATOM 868 O LEU A 53 -6.681 7.001 10.922 1.00 25.00 O ATOM 869 CB LEU A 53 -3.618 8.155 10.878 1.00 25.00 C ATOM 870 CG LEU A 53 -3.853 7.684 9.433 1.00 25.00 C ATOM 871 CD1 LEU A 53 -4.486 8.792 8.580 1.00 25.00 C ATOM 872 CD2 LEU A 53 -2.551 7.218 8.818 1.00 25.00 C ATOM 0 H LEU A 53 -3.533 8.722 13.267 1.00 25.00 H new ATOM 0 HA LEU A 53 -5.467 9.199 11.282 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -3.053 9.086 10.852 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -2.996 7.418 11.386 1.00 25.00 H new ATOM 0 HG LEU A 53 -4.551 6.847 9.459 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -4.639 8.427 7.564 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.445 9.080 9.011 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -3.824 9.658 8.558 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -2.730 6.887 7.795 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -1.836 8.041 8.813 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -2.148 6.390 9.402 1.00 25.00 H new ATOM 884 N TYR A 54 -5.424 6.185 12.589 1.00 25.00 N ATOM 885 CA TYR A 54 -6.171 4.939 12.662 1.00 25.00 C ATOM 886 C TYR A 54 -7.626 5.242 12.983 1.00 25.00 C ATOM 887 O TYR A 54 -8.519 4.667 12.389 1.00 25.00 O ATOM 888 CB TYR A 54 -5.598 3.997 13.721 1.00 25.00 C ATOM 889 CG TYR A 54 -6.175 2.603 13.653 1.00 25.00 C ATOM 890 CD1 TYR A 54 -7.413 2.292 14.261 1.00 25.00 C ATOM 891 CD2 TYR A 54 -5.495 1.582 12.965 1.00 25.00 C ATOM 892 CE1 TYR A 54 -7.952 0.980 14.181 1.00 25.00 C ATOM 893 CE2 TYR A 54 -6.039 0.268 12.879 1.00 25.00 C ATOM 894 CZ TYR A 54 -7.258 -0.022 13.496 1.00 25.00 C ATOM 895 OH TYR A 54 -7.777 -1.290 13.427 1.00 25.00 O ATOM 0 H TYR A 54 -4.665 6.267 13.265 1.00 25.00 H new ATOM 0 HA TYR A 54 -6.093 4.441 11.695 1.00 25.00 H new ATOM 0 HB2 TYR A 54 -4.516 3.941 13.601 1.00 25.00 H new ATOM 0 HB3 TYR A 54 -5.788 4.414 14.710 1.00 25.00 H new ATOM 0 HD1 TYR A 54 -7.955 3.060 14.792 1.00 25.00 H new ATOM 0 HD2 TYR A 54 -4.547 1.797 12.495 1.00 25.00 H new ATOM 0 HE1 TYR A 54 -8.899 0.756 14.650 1.00 25.00 H new ATOM 0 HE2 TYR A 54 -5.510 -0.502 12.338 1.00 25.00 H new ATOM 0 HH TYR A 54 -7.171 -1.864 12.914 1.00 25.00 H new ATOM 1884 N ILE B 155 1.768 12.207 3.669 1.00 25.00 N ATOM 1885 CA ILE B 155 0.727 11.751 4.595 1.00 25.00 C ATOM 1886 C ILE B 155 -0.369 12.805 4.760 1.00 25.00 C ATOM 1887 O ILE B 155 -0.192 13.940 4.360 1.00 25.00 O ATOM 1888 CB ILE B 155 1.324 11.404 6.005 1.00 25.00 C ATOM 1889 CG1 ILE B 155 1.549 12.659 6.886 1.00 25.00 C ATOM 1890 CG2 ILE B 155 2.586 10.536 5.869 1.00 25.00 C ATOM 1891 CD1 ILE B 155 2.556 13.735 6.402 1.00 25.00 C ATOM 0 HA ILE B 155 0.294 10.849 4.162 1.00 25.00 H new ATOM 0 HB ILE B 155 0.580 10.811 6.536 1.00 25.00 H new ATOM 0 HG12 ILE B 155 0.583 13.146 7.021 1.00 25.00 H new ATOM 0 HG13 ILE B 155 1.875 12.319 7.869 1.00 25.00 H new ATOM 0 HG21 ILE B 155 2.980 10.309 6.860 1.00 25.00 H new ATOM 0 HG22 ILE B 155 2.335 9.607 5.357 1.00 25.00 H new ATOM 0 HG23 ILE B 155 3.338 11.076 5.294 1.00 25.00 H new ATOM 0 HD11 ILE B 155 2.598 14.547 7.128 1.00 25.00 H new ATOM 0 HD12 ILE B 155 3.545 13.288 6.299 1.00 25.00 H new ATOM 0 HD13 ILE B 155 2.233 14.128 5.438 1.00 25.00 H new ATOM 1903 N ASP B 156 -1.463 12.428 5.416 1.00 25.00 N ATOM 1904 CA ASP B 156 -2.541 13.367 5.768 1.00 25.00 C ATOM 1905 C ASP B 156 -1.964 14.486 6.652 1.00 25.00 C ATOM 1906 O ASP B 156 -1.550 14.233 7.800 1.00 25.00 O ATOM 1907 CB ASP B 156 -3.640 12.619 6.535 1.00 25.00 C ATOM 1908 CG ASP B 156 -4.817 13.506 6.906 1.00 25.00 C ATOM 1909 OD1 ASP B 156 -4.609 14.637 7.406 1.00 25.00 O ATOM 1910 OD2 ASP B 156 -5.955 13.024 6.793 1.00 25.00 O ATOM 0 H ASP B 156 -1.633 11.469 5.720 1.00 25.00 H new ATOM 0 HA ASP B 156 -2.966 13.799 4.862 1.00 25.00 H new ATOM 0 HB2 ASP B 156 -3.997 11.787 5.928 1.00 25.00 H new ATOM 0 HB3 ASP B 156 -3.215 12.191 7.443 1.00 25.00 H new ATOM 1915 N PRO B 157 -1.885 15.729 6.133 1.00 25.00 N ATOM 1916 CA PRO B 157 -1.197 16.732 6.944 1.00 25.00 C ATOM 1917 C PRO B 157 -2.003 17.287 8.115 1.00 25.00 C ATOM 1918 O PRO B 157 -1.416 17.784 9.068 1.00 25.00 O ATOM 1919 CB PRO B 157 -0.905 17.834 5.926 1.00 25.00 C ATOM 1920 CG PRO B 157 -2.047 17.772 4.982 1.00 25.00 C ATOM 1921 CD PRO B 157 -2.314 16.289 4.834 1.00 25.00 C ATOM 0 HA PRO B 157 -0.324 16.301 7.434 1.00 25.00 H new ATOM 0 HB2 PRO B 157 -0.838 18.811 6.405 1.00 25.00 H new ATOM 0 HB3 PRO B 157 0.043 17.663 5.416 1.00 25.00 H new ATOM 0 HG2 PRO B 157 -2.918 18.298 5.373 1.00 25.00 H new ATOM 0 HG3 PRO B 157 -1.800 18.231 4.025 1.00 25.00 H new ATOM 0 HD2 PRO B 157 -3.367 16.089 4.639 1.00 25.00 H new ATOM 0 HD3 PRO B 157 -1.749 15.860 4.006 1.00 25.00 H new ATOM 1929 N GLU B 158 -3.326 17.226 8.050 1.00 25.00 N ATOM 1930 CA GLU B 158 -4.167 17.812 9.095 1.00 25.00 C ATOM 1931 C GLU B 158 -4.090 16.972 10.346 1.00 25.00 C ATOM 1932 O GLU B 158 -3.868 17.471 11.450 1.00 25.00 O ATOM 1933 CB GLU B 158 -5.626 17.877 8.651 1.00 25.00 C ATOM 1934 CG GLU B 158 -5.830 18.635 7.351 1.00 25.00 C ATOM 1935 CD GLU B 158 -7.303 18.850 7.046 1.00 25.00 C ATOM 1936 OE1 GLU B 158 -8.160 18.363 7.830 1.00 25.00 O ATOM 1937 OE2 GLU B 158 -7.610 19.537 6.050 1.00 25.00 O ATOM 0 H GLU B 158 -3.842 16.780 7.291 1.00 25.00 H new ATOM 0 HA GLU B 158 -3.803 18.821 9.289 1.00 25.00 H new ATOM 0 HB2 GLU B 158 -6.008 16.863 8.535 1.00 25.00 H new ATOM 0 HB3 GLU B 158 -6.216 18.351 9.435 1.00 25.00 H new ATOM 0 HG2 GLU B 158 -5.327 19.600 7.411 1.00 25.00 H new ATOM 0 HG3 GLU B 158 -5.366 18.084 6.533 1.00 25.00 H new ATOM 1944 N VAL B 159 -4.225 15.666 10.159 1.00 25.00 N ATOM 1945 CA VAL B 159 -4.154 14.720 11.267 1.00 25.00 C ATOM 1946 C VAL B 159 -2.734 14.769 11.818 1.00 25.00 C ATOM 1947 O VAL B 159 -2.519 14.722 13.035 1.00 25.00 O ATOM 1948 CB VAL B 159 -4.519 13.279 10.793 1.00 25.00 C ATOM 1949 CG1 VAL B 159 -4.396 12.269 11.929 1.00 25.00 C ATOM 1950 CG2 VAL B 159 -5.940 13.246 10.259 1.00 25.00 C ATOM 0 H VAL B 159 -4.385 15.236 9.248 1.00 25.00 H new ATOM 0 HA VAL B 159 -4.871 14.988 12.043 1.00 25.00 H new ATOM 0 HB VAL B 159 -3.816 13.008 10.005 1.00 25.00 H new ATOM 0 HG11 VAL B 159 -4.658 11.276 11.563 1.00 25.00 H new ATOM 0 HG12 VAL B 159 -3.371 12.261 12.299 1.00 25.00 H new ATOM 0 HG13 VAL B 159 -5.072 12.547 12.738 1.00 25.00 H new ATOM 0 HG21 VAL B 159 -6.182 12.235 9.932 1.00 25.00 H new ATOM 0 HG22 VAL B 159 -6.631 13.548 11.046 1.00 25.00 H new ATOM 0 HG23 VAL B 159 -6.028 13.931 9.416 1.00 25.00 H new ATOM 1960 N ALA B 160 -1.762 14.906 10.933 1.00 25.00 N ATOM 1961 CA ALA B 160 -0.376 14.942 11.352 1.00 25.00 C ATOM 1962 C ALA B 160 -0.043 16.205 12.155 1.00 25.00 C ATOM 1963 O ALA B 160 0.661 16.118 13.161 1.00 25.00 O ATOM 1964 CB ALA B 160 0.539 14.794 10.143 1.00 25.00 C ATOM 0 H ALA B 160 -1.907 14.993 9.927 1.00 25.00 H new ATOM 0 HA ALA B 160 -0.209 14.100 12.023 1.00 25.00 H new ATOM 0 HB1 ALA B 160 1.579 14.822 10.468 1.00 25.00 H new ATOM 0 HB2 ALA B 160 0.339 13.843 9.649 1.00 25.00 H new ATOM 0 HB3 ALA B 160 0.355 15.611 9.445 1.00 25.00 H new ATOM 1970 N GLN B 161 -0.547 17.356 11.742 1.00 25.00 N ATOM 1971 CA GLN B 161 -0.283 18.596 12.476 1.00 25.00 C ATOM 1972 C GLN B 161 -0.957 18.557 13.844 1.00 25.00 C ATOM 1973 O GLN B 161 -0.371 18.943 14.857 1.00 25.00 O ATOM 1974 CB GLN B 161 -0.793 19.804 11.690 1.00 25.00 C ATOM 1975 CG GLN B 161 -0.379 21.141 12.299 1.00 25.00 C ATOM 1976 CD GLN B 161 -0.868 22.326 11.497 1.00 25.00 C ATOM 1977 OE1 GLN B 161 -1.366 22.181 10.397 1.00 25.00 O ATOM 1978 NE2 GLN B 161 -0.725 23.500 12.041 1.00 25.00 N ATOM 0 H GLN B 161 -1.134 17.464 10.915 1.00 25.00 H new ATOM 0 HA GLN B 161 0.795 18.688 12.610 1.00 25.00 H new ATOM 0 HB2 GLN B 161 -0.419 19.747 10.668 1.00 25.00 H new ATOM 0 HB3 GLN B 161 -1.881 19.759 11.635 1.00 25.00 H new ATOM 0 HG2 GLN B 161 -0.769 21.209 13.314 1.00 25.00 H new ATOM 0 HG3 GLN B 161 0.708 21.181 12.372 1.00 25.00 H new ATOM 0 HE21 GLN B 161 -0.303 23.586 12.966 1.00 25.00 H new ATOM 0 HE22 GLN B 161 -1.035 24.334 11.543 1.00 25.00 H new ATOM 1987 N LYS B 162 -2.184 18.064 13.896 1.00 25.00 N ATOM 1988 CA LYS B 162 -2.906 17.970 15.168 1.00 25.00 C ATOM 1989 C LYS B 162 -2.178 17.009 16.101 1.00 25.00 C ATOM 1990 O LYS B 162 -2.055 17.276 17.290 1.00 25.00 O ATOM 1991 CB LYS B 162 -4.351 17.529 14.913 1.00 25.00 C ATOM 1992 CG LYS B 162 -5.170 18.636 14.211 1.00 25.00 C ATOM 1993 CD LYS B 162 -6.458 18.128 13.570 1.00 25.00 C ATOM 1994 CE LYS B 162 -7.549 17.854 14.593 1.00 25.00 C ATOM 1995 NZ LYS B 162 -8.835 17.472 13.896 1.00 25.00 N ATOM 0 H LYS B 162 -2.702 17.724 13.085 1.00 25.00 H new ATOM 0 HA LYS B 162 -2.937 18.947 15.651 1.00 25.00 H new ATOM 0 HB2 LYS B 162 -4.354 16.629 14.298 1.00 25.00 H new ATOM 0 HB3 LYS B 162 -4.825 17.270 15.860 1.00 25.00 H new ATOM 0 HG2 LYS B 162 -5.416 19.410 14.937 1.00 25.00 H new ATOM 0 HG3 LYS B 162 -4.552 19.103 13.444 1.00 25.00 H new ATOM 0 HD2 LYS B 162 -6.816 18.864 12.850 1.00 25.00 H new ATOM 0 HD3 LYS B 162 -6.248 17.214 13.014 1.00 25.00 H new ATOM 0 HE2 LYS B 162 -7.237 17.052 15.262 1.00 25.00 H new ATOM 0 HE3 LYS B 162 -7.710 18.738 15.209 1.00 25.00 H new ATOM 0 HZ1 LYS B 162 -9.573 17.287 14.605 1.00 25.00 H new ATOM 0 HZ2 LYS B 162 -9.138 18.250 13.276 1.00 25.00 H new ATOM 0 HZ3 LYS B 162 -8.680 16.616 13.327 1.00 25.00 H new ATOM 2009 N ALA B 163 -1.618 15.947 15.543 1.00 25.00 N ATOM 2010 CA ALA B 163 -0.842 14.996 16.335 1.00 25.00 C ATOM 2011 C ALA B 163 0.419 15.623 16.944 1.00 25.00 C ATOM 2012 O ALA B 163 0.773 15.325 18.084 1.00 25.00 O ATOM 2013 CB ALA B 163 -0.460 13.782 15.474 1.00 25.00 C ATOM 0 H ALA B 163 -1.684 15.720 14.551 1.00 25.00 H new ATOM 0 HA ALA B 163 -1.475 14.679 17.164 1.00 25.00 H new ATOM 0 HB1 ALA B 163 0.118 13.079 16.073 1.00 25.00 H new ATOM 0 HB2 ALA B 163 -1.365 13.293 15.113 1.00 25.00 H new ATOM 0 HB3 ALA B 163 0.138 14.112 14.624 1.00 25.00 H new ATOM 2019 N CYS B 164 1.134 16.460 16.195 1.00 25.00 N ATOM 2020 CA CYS B 164 2.371 17.018 16.727 1.00 25.00 C ATOM 2021 C CYS B 164 2.099 18.079 17.785 1.00 25.00 C ATOM 2022 O CYS B 164 2.856 18.188 18.742 1.00 25.00 O ATOM 2023 CB CYS B 164 3.289 17.576 15.626 1.00 25.00 C ATOM 2024 SG CYS B 164 2.672 19.011 14.726 1.00 25.00 S ATOM 0 H CYS B 164 0.889 16.758 15.251 1.00 25.00 H new ATOM 0 HA CYS B 164 2.898 16.189 17.200 1.00 25.00 H new ATOM 0 HB2 CYS B 164 4.245 17.840 16.078 1.00 25.00 H new ATOM 0 HB3 CYS B 164 3.486 16.780 14.908 1.00 25.00 H new ATOM 0 HG CYS B 164 1.382 19.088 14.864 1.00 25.00 H new ATOM 2030 N GLN B 165 1.011 18.825 17.641 1.00 25.00 N ATOM 2031 CA GLN B 165 0.671 19.857 18.629 1.00 25.00 C ATOM 2032 C GLN B 165 0.520 19.211 20.004 1.00 25.00 C ATOM 2033 O GLN B 165 1.090 19.678 20.987 1.00 25.00 O ATOM 2034 CB GLN B 165 -0.640 20.550 18.258 1.00 25.00 C ATOM 2035 CG GLN B 165 -0.537 21.509 17.073 1.00 25.00 C ATOM 2036 CD GLN B 165 0.069 22.841 17.461 1.00 25.00 C ATOM 2037 OE1 GLN B 165 1.271 22.988 17.548 1.00 25.00 O ATOM 2038 NE2 GLN B 165 -0.774 23.817 17.700 1.00 25.00 N ATOM 0 H GLN B 165 0.354 18.742 16.865 1.00 25.00 H new ATOM 0 HA GLN B 165 1.470 20.598 18.645 1.00 25.00 H new ATOM 0 HB2 GLN B 165 -1.386 19.789 18.029 1.00 25.00 H new ATOM 0 HB3 GLN B 165 -1.003 21.102 19.125 1.00 25.00 H new ATOM 0 HG2 GLN B 165 0.068 21.052 16.290 1.00 25.00 H new ATOM 0 HG3 GLN B 165 -1.530 21.673 16.654 1.00 25.00 H new ATOM 0 HE21 GLN B 165 -1.778 23.656 17.617 1.00 25.00 H new ATOM 0 HE22 GLN B 165 -0.426 24.737 17.969 1.00 25.00 H new ATOM 2047 N GLU B 166 -0.202 18.102 20.051 1.00 25.00 N ATOM 2048 CA GLU B 166 -0.407 17.381 21.300 1.00 25.00 C ATOM 2049 C GLU B 166 0.921 16.917 21.884 1.00 25.00 C ATOM 2050 O GLU B 166 1.170 17.080 23.071 1.00 25.00 O ATOM 2051 CB GLU B 166 -1.299 16.160 21.059 1.00 25.00 C ATOM 2052 CG GLU B 166 -2.763 16.500 20.816 1.00 25.00 C ATOM 2053 CD GLU B 166 -3.419 17.139 22.025 1.00 25.00 C ATOM 2054 OE1 GLU B 166 -3.122 16.691 23.160 1.00 25.00 O ATOM 2055 OE2 GLU B 166 -4.210 18.083 21.857 1.00 25.00 O ATOM 0 H GLU B 166 -0.656 17.681 19.240 1.00 25.00 H new ATOM 0 HA GLU B 166 -0.887 18.059 22.005 1.00 25.00 H new ATOM 0 HB2 GLU B 166 -0.917 15.608 20.200 1.00 25.00 H new ATOM 0 HB3 GLU B 166 -1.229 15.496 21.921 1.00 25.00 H new ATOM 0 HG2 GLU B 166 -2.839 17.177 19.965 1.00 25.00 H new ATOM 0 HG3 GLU B 166 -3.304 15.592 20.550 1.00 25.00 H new ATOM 2062 N VAL B 167 1.776 16.350 21.048 1.00 25.00 N ATOM 2063 CA VAL B 167 3.065 15.821 21.498 1.00 25.00 C ATOM 2064 C VAL B 167 3.946 16.909 22.097 1.00 25.00 C ATOM 2065 O VAL B 167 4.540 16.711 23.156 1.00 25.00 O ATOM 2066 CB VAL B 167 3.801 15.119 20.325 1.00 25.00 C ATOM 2067 CG1 VAL B 167 5.279 14.855 20.655 1.00 25.00 C ATOM 2068 CG2 VAL B 167 3.106 13.792 20.013 1.00 25.00 C ATOM 0 H VAL B 167 1.604 16.241 20.048 1.00 25.00 H new ATOM 0 HA VAL B 167 2.863 15.091 22.282 1.00 25.00 H new ATOM 0 HB VAL B 167 3.764 15.781 19.460 1.00 25.00 H new ATOM 0 HG11 VAL B 167 5.758 14.363 19.809 1.00 25.00 H new ATOM 0 HG12 VAL B 167 5.781 15.801 20.857 1.00 25.00 H new ATOM 0 HG13 VAL B 167 5.347 14.214 21.534 1.00 25.00 H new ATOM 0 HG21 VAL B 167 3.621 13.297 19.190 1.00 25.00 H new ATOM 0 HG22 VAL B 167 3.132 13.152 20.895 1.00 25.00 H new ATOM 0 HG23 VAL B 167 2.070 13.981 19.732 1.00 25.00 H new ATOM 2078 N LEU B 168 4.013 18.060 21.443 1.00 25.00 N ATOM 2079 CA LEU B 168 4.842 19.156 21.933 1.00 25.00 C ATOM 2080 C LEU B 168 4.430 19.521 23.353 1.00 25.00 C ATOM 2081 O LEU B 168 5.283 19.743 24.214 1.00 25.00 O ATOM 2082 CB LEU B 168 4.714 20.408 21.037 1.00 25.00 C ATOM 2083 CG LEU B 168 5.708 20.669 19.875 1.00 25.00 C ATOM 2084 CD1 LEU B 168 7.147 20.544 20.333 1.00 25.00 C ATOM 2085 CD2 LEU B 168 5.503 19.788 18.661 1.00 25.00 C ATOM 0 H LEU B 168 3.509 18.260 20.579 1.00 25.00 H new ATOM 0 HA LEU B 168 5.879 18.820 21.914 1.00 25.00 H new ATOM 0 HB2 LEU B 168 3.715 20.388 20.602 1.00 25.00 H new ATOM 0 HB3 LEU B 168 4.758 21.276 21.695 1.00 25.00 H new ATOM 0 HG LEU B 168 5.495 21.693 19.568 1.00 25.00 H new ATOM 0 HD11 LEU B 168 7.814 20.733 19.492 1.00 25.00 H new ATOM 0 HD12 LEU B 168 7.342 21.270 21.122 1.00 25.00 H new ATOM 0 HD13 LEU B 168 7.321 19.538 20.715 1.00 25.00 H new ATOM 0 HD21 LEU B 168 6.241 20.040 17.900 1.00 25.00 H new ATOM 0 HD22 LEU B 168 5.618 18.742 18.947 1.00 25.00 H new ATOM 0 HD23 LEU B 168 4.501 19.946 18.261 1.00 25.00 H new ATOM 2097 N GLU B 169 3.134 19.569 23.610 1.00 25.00 N ATOM 2098 CA GLU B 169 2.639 19.930 24.936 1.00 25.00 C ATOM 2099 C GLU B 169 2.985 18.898 25.998 1.00 25.00 C ATOM 2100 O GLU B 169 3.312 19.266 27.126 1.00 25.00 O ATOM 2101 CB GLU B 169 1.130 20.145 24.908 1.00 25.00 C ATOM 2102 CG GLU B 169 0.736 21.371 24.109 1.00 25.00 C ATOM 2103 CD GLU B 169 -0.731 21.707 24.251 1.00 25.00 C ATOM 2104 OE1 GLU B 169 -1.461 20.960 24.939 1.00 25.00 O ATOM 2105 OE2 GLU B 169 -1.142 22.751 23.702 1.00 25.00 O ATOM 0 H GLU B 169 2.406 19.365 22.925 1.00 25.00 H new ATOM 0 HA GLU B 169 3.140 20.859 25.206 1.00 25.00 H new ATOM 0 HB2 GLU B 169 0.648 19.266 24.480 1.00 25.00 H new ATOM 0 HB3 GLU B 169 0.761 20.246 25.929 1.00 25.00 H new ATOM 0 HG2 GLU B 169 1.334 22.222 24.436 1.00 25.00 H new ATOM 0 HG3 GLU B 169 0.967 21.205 23.057 1.00 25.00 H new ATOM 2112 N LYS B 170 2.963 17.614 25.665 1.00 25.00 N ATOM 2113 CA LYS B 170 3.317 16.595 26.664 1.00 25.00 C ATOM 2114 C LYS B 170 4.767 16.800 27.084 1.00 25.00 C ATOM 2115 O LYS B 170 5.102 16.704 28.257 1.00 25.00 O ATOM 2116 CB LYS B 170 3.106 15.164 26.136 1.00 25.00 C ATOM 2117 CG LYS B 170 1.721 14.886 25.520 1.00 25.00 C ATOM 2118 CD LYS B 170 0.541 15.190 26.460 1.00 25.00 C ATOM 2119 CE LYS B 170 -0.793 15.173 25.695 1.00 25.00 C ATOM 2120 NZ LYS B 170 -1.004 16.453 24.914 1.00 25.00 N ATOM 0 H LYS B 170 2.713 17.254 24.744 1.00 25.00 H new ATOM 0 HA LYS B 170 2.657 16.712 27.523 1.00 25.00 H new ATOM 0 HB2 LYS B 170 3.868 14.956 25.385 1.00 25.00 H new ATOM 0 HB3 LYS B 170 3.268 14.464 26.956 1.00 25.00 H new ATOM 0 HG2 LYS B 170 1.612 15.482 24.614 1.00 25.00 H new ATOM 0 HG3 LYS B 170 1.672 13.839 25.221 1.00 25.00 H new ATOM 0 HD2 LYS B 170 0.513 14.454 27.263 1.00 25.00 H new ATOM 0 HD3 LYS B 170 0.685 16.165 26.926 1.00 25.00 H new ATOM 0 HE2 LYS B 170 -0.811 14.323 25.013 1.00 25.00 H new ATOM 0 HE3 LYS B 170 -1.615 15.035 26.398 1.00 25.00 H new ATOM 0 HZ1 LYS B 170 -1.861 16.367 24.331 1.00 25.00 H new ATOM 0 HZ2 LYS B 170 -1.113 17.249 25.575 1.00 25.00 H new ATOM 0 HZ3 LYS B 170 -0.183 16.624 24.299 1.00 25.00 H new ATOM 2134 N VAL B 171 5.623 17.149 26.133 1.00 25.00 N ATOM 2135 CA VAL B 171 7.033 17.400 26.436 1.00 25.00 C ATOM 2136 C VAL B 171 7.205 18.701 27.235 1.00 25.00 C ATOM 2137 O VAL B 171 8.082 18.802 28.099 1.00 25.00 O ATOM 2138 CB VAL B 171 7.892 17.409 25.138 1.00 25.00 C ATOM 2139 CG1 VAL B 171 9.381 17.553 25.476 1.00 25.00 C ATOM 2140 CG2 VAL B 171 7.676 16.115 24.358 1.00 25.00 C ATOM 0 H VAL B 171 5.372 17.265 25.151 1.00 25.00 H new ATOM 0 HA VAL B 171 7.392 16.583 27.061 1.00 25.00 H new ATOM 0 HB VAL B 171 7.582 18.259 24.530 1.00 25.00 H new ATOM 0 HG11 VAL B 171 9.964 17.557 24.555 1.00 25.00 H new ATOM 0 HG12 VAL B 171 9.544 18.488 26.013 1.00 25.00 H new ATOM 0 HG13 VAL B 171 9.695 16.717 26.101 1.00 25.00 H new ATOM 0 HG21 VAL B 171 8.281 16.131 23.452 1.00 25.00 H new ATOM 0 HG22 VAL B 171 7.969 15.265 24.975 1.00 25.00 H new ATOM 0 HG23 VAL B 171 6.624 16.023 24.090 1.00 25.00 H new ATOM 2150 N LYS B 172 6.346 19.682 27.001 1.00 25.00 N ATOM 2151 CA LYS B 172 6.356 20.925 27.791 1.00 25.00 C ATOM 2152 C LYS B 172 5.910 20.642 29.231 1.00 25.00 C ATOM 2153 O LYS B 172 6.299 21.343 30.159 1.00 25.00 O ATOM 2154 CB LYS B 172 5.421 21.969 27.166 1.00 25.00 C ATOM 2155 CG LYS B 172 5.929 22.555 25.850 1.00 25.00 C ATOM 2156 CD LYS B 172 4.843 23.380 25.171 1.00 25.00 C ATOM 2157 CE LYS B 172 5.259 23.818 23.776 1.00 25.00 C ATOM 2158 NZ LYS B 172 4.138 24.552 23.078 1.00 25.00 N ATOM 0 H LYS B 172 5.631 19.651 26.274 1.00 25.00 H new ATOM 0 HA LYS B 172 7.374 21.316 27.796 1.00 25.00 H new ATOM 0 HB2 LYS B 172 4.446 21.512 26.995 1.00 25.00 H new ATOM 0 HB3 LYS B 172 5.272 22.780 27.879 1.00 25.00 H new ATOM 0 HG2 LYS B 172 6.803 23.179 26.038 1.00 25.00 H new ATOM 0 HG3 LYS B 172 6.249 21.750 25.188 1.00 25.00 H new ATOM 0 HD2 LYS B 172 3.926 22.794 25.110 1.00 25.00 H new ATOM 0 HD3 LYS B 172 4.621 24.258 25.777 1.00 25.00 H new ATOM 0 HE2 LYS B 172 6.135 24.463 23.840 1.00 25.00 H new ATOM 0 HE3 LYS B 172 5.548 22.946 23.189 1.00 25.00 H new ATOM 0 HZ1 LYS B 172 4.450 24.839 22.128 1.00 25.00 H new ATOM 0 HZ2 LYS B 172 3.311 23.926 22.997 1.00 25.00 H new ATOM 0 HZ3 LYS B 172 3.881 25.396 23.628 1.00 25.00 H new