USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 971 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 THR C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -63:sc= 0.263 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.25 K(o=0.013,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -52:sc= 0.821 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -123:sc= 0.0984 USER MOD Single : A 9 TYR OH : rot -21:sc= 0.327 USER MOD Single : A 10 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-4.2!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.294 F(o=-1.3,f=-0.29) USER MOD Single : A 13 MET CE :methyl -142:sc= -5.35! (180deg=-8.79!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0492 K(o=-0.049,f=-1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.939 K(o=-0.94,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 69:sc= 0.972 USER MOD Single : A 36 SER OG : rot -170:sc= -0.895 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.44) USER MOD Single : A 49 SER OG : rot -64:sc= 0.621 USER MOD Single : A 51 GLN : amide:sc= -0.0329 K(o=-0.033,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -73:sc= 1.59 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.498) USER MOD Single : A 68 MET CE :methyl 164:sc= -0.0103 (180deg=-0.4) USER MOD Single : A 69 CYS SG : rot 113:sc= 0.504 USER MOD Single : A 74 TYR OH : rot -24:sc= 0.139 USER MOD Single : A 75 THR OG1 : rot -163:sc= 0.175 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 19:sc= 0.14 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=-0.056) USER MOD Single : A 93 LYS NZ :NH3+ -113:sc= 0.29 (180deg=-1.3!) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= 0.0872 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -69:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.45! K(o=-3.4!,f=-4.8) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.021 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 117 SER OG : rot 51:sc= 0.529 USER MOD Single : B 1 ALA N :NH3+ 135:sc= 0.027 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.31) USER MOD Single : B 14 GLN : amide:sc= -0.0978 K(o=-0.098,f=-1.6!) USER MOD Single : B 15 LYS NZ :NH3+ -124:sc= -0.54 (180deg=-2.42!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.937 -22.434 -14.982 1.00 0.00 N ATOM 2 CA GLY A 1 9.544 -22.641 -14.629 1.00 0.00 C ATOM 3 C GLY A 1 8.672 -21.453 -14.987 1.00 0.00 C ATOM 4 O GLY A 1 8.361 -21.234 -16.157 1.00 0.00 O ATOM 0 H1 GLY A 1 11.491 -23.274 -14.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.016 -22.276 -16.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.304 -21.603 -14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.171 -23.529 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.468 -22.834 -13.559 1.00 0.00 H new ATOM 8 N SER A 2 8.277 -20.686 -13.976 1.00 0.00 N ATOM 9 CA SER A 2 7.432 -19.518 -14.189 1.00 0.00 C ATOM 10 C SER A 2 8.279 -18.264 -14.390 1.00 0.00 C ATOM 11 O SER A 2 8.586 -17.550 -13.436 1.00 0.00 O ATOM 12 CB SER A 2 6.486 -19.323 -13.002 1.00 0.00 C ATOM 13 OG SER A 2 5.432 -18.434 -13.330 1.00 0.00 O ATOM 0 H SER A 2 8.529 -20.853 -13.002 1.00 0.00 H new ATOM 0 HA SER A 2 6.843 -19.686 -15.090 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.073 -20.286 -12.700 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.043 -18.933 -12.150 1.00 0.00 H new ATOM 0 HG SER A 2 4.841 -18.328 -12.556 1.00 0.00 H new ATOM 19 N SER A 3 8.652 -18.004 -15.639 1.00 0.00 N ATOM 20 CA SER A 3 9.465 -16.840 -15.967 1.00 0.00 C ATOM 21 C SER A 3 8.593 -15.683 -16.446 1.00 0.00 C ATOM 22 O SER A 3 8.949 -14.969 -17.382 1.00 0.00 O ATOM 23 CB SER A 3 10.494 -17.197 -17.041 1.00 0.00 C ATOM 24 OG SER A 3 11.341 -16.095 -17.322 1.00 0.00 O ATOM 0 H SER A 3 8.404 -18.584 -16.440 1.00 0.00 H new ATOM 0 HA SER A 3 9.987 -16.527 -15.063 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.093 -18.045 -16.708 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.981 -17.507 -17.952 1.00 0.00 H new ATOM 0 HG SER A 3 10.796 -15.307 -17.526 1.00 0.00 H new ATOM 30 N GLY A 4 7.445 -15.507 -15.797 1.00 0.00 N ATOM 31 CA GLY A 4 6.539 -14.438 -16.171 1.00 0.00 C ATOM 32 C GLY A 4 7.022 -13.078 -15.705 1.00 0.00 C ATOM 33 O GLY A 4 8.212 -12.775 -15.786 1.00 0.00 O ATOM 0 H GLY A 4 7.127 -16.086 -15.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.423 -14.427 -17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.554 -14.635 -15.747 1.00 0.00 H new ATOM 37 N SER A 5 6.097 -12.258 -15.218 1.00 0.00 N ATOM 38 CA SER A 5 6.434 -10.922 -14.743 1.00 0.00 C ATOM 39 C SER A 5 5.849 -10.674 -13.356 1.00 0.00 C ATOM 40 O SER A 5 4.633 -10.564 -13.193 1.00 0.00 O ATOM 41 CB SER A 5 5.919 -9.865 -15.722 1.00 0.00 C ATOM 42 OG SER A 5 6.521 -10.014 -16.996 1.00 0.00 O ATOM 0 H SER A 5 5.108 -12.496 -15.142 1.00 0.00 H new ATOM 0 HA SER A 5 7.520 -10.850 -14.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.836 -9.948 -15.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.129 -8.869 -15.331 1.00 0.00 H new ATOM 0 HG SER A 5 6.174 -9.328 -17.604 1.00 0.00 H new ATOM 48 N SER A 6 6.722 -10.588 -12.358 1.00 0.00 N ATOM 49 CA SER A 6 6.294 -10.358 -10.984 1.00 0.00 C ATOM 50 C SER A 6 5.085 -9.428 -10.940 1.00 0.00 C ATOM 51 O SER A 6 4.063 -9.747 -10.336 1.00 0.00 O ATOM 52 CB SER A 6 7.439 -9.763 -10.162 1.00 0.00 C ATOM 53 OG SER A 6 7.217 -9.942 -8.774 1.00 0.00 O ATOM 0 H SER A 6 7.731 -10.674 -12.476 1.00 0.00 H new ATOM 0 HA SER A 6 6.009 -11.318 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.379 -10.235 -10.447 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.536 -8.700 -10.384 1.00 0.00 H new ATOM 0 HG SER A 6 7.232 -9.071 -8.325 1.00 0.00 H new ATOM 59 N GLY A 7 5.213 -8.272 -11.587 1.00 0.00 N ATOM 60 CA GLY A 7 4.125 -7.312 -11.611 1.00 0.00 C ATOM 61 C GLY A 7 4.325 -6.185 -10.617 1.00 0.00 C ATOM 62 O GLY A 7 5.345 -5.496 -10.648 1.00 0.00 O ATOM 0 H GLY A 7 6.050 -7.984 -12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.034 -6.896 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.188 -7.824 -11.392 1.00 0.00 H new ATOM 66 N TRP A 8 3.349 -5.994 -9.737 1.00 0.00 N ATOM 67 CA TRP A 8 3.423 -4.941 -8.731 1.00 0.00 C ATOM 68 C TRP A 8 3.963 -5.483 -7.413 1.00 0.00 C ATOM 69 O TRP A 8 3.950 -4.792 -6.394 1.00 0.00 O ATOM 70 CB TRP A 8 2.043 -4.318 -8.513 1.00 0.00 C ATOM 71 CG TRP A 8 0.914 -5.259 -8.807 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.150 -5.296 -9.939 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.420 -6.298 -7.955 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.788 -6.294 -9.842 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.643 -6.925 -8.635 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.773 -6.762 -6.685 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.355 -7.988 -8.085 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.066 -7.817 -6.140 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.987 -8.421 -6.840 1.00 0.00 C ATOM 0 H TRP A 8 2.497 -6.554 -9.700 1.00 0.00 H new ATOM 0 HA TRP A 8 4.107 -4.174 -9.094 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.964 -3.979 -7.480 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.946 -3.436 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.267 -4.637 -10.786 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.481 -6.528 -10.553 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.584 -6.304 -6.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.168 -8.454 -8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.329 -8.182 -5.158 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.519 -9.245 -6.388 1.00 0.00 H new ATOM 90 N TYR A 9 4.439 -6.724 -7.439 1.00 0.00 N ATOM 91 CA TYR A 9 4.983 -7.359 -6.245 1.00 0.00 C ATOM 92 C TYR A 9 6.471 -7.056 -6.096 1.00 0.00 C ATOM 93 O TYR A 9 7.254 -7.259 -7.025 1.00 0.00 O ATOM 94 CB TYR A 9 4.762 -8.871 -6.301 1.00 0.00 C ATOM 95 CG TYR A 9 4.724 -9.529 -4.940 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.551 -9.565 -4.197 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.862 -10.113 -4.397 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.512 -10.164 -2.952 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.833 -10.714 -3.154 1.00 0.00 C ATOM 100 CZ TYR A 9 4.655 -10.738 -2.436 1.00 0.00 C ATOM 101 OH TYR A 9 4.621 -11.336 -1.197 1.00 0.00 O ATOM 0 H TYR A 9 4.459 -7.309 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 9 4.460 -6.954 -5.379 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.825 -9.074 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.558 -9.324 -6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.654 -9.117 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.785 -10.097 -4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.592 -10.182 -2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.727 -11.162 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 9 3.858 -10.991 -0.688 1.00 0.00 H new ATOM 111 N HIS A 10 6.854 -6.569 -4.920 1.00 0.00 N ATOM 112 CA HIS A 10 8.248 -6.238 -4.647 1.00 0.00 C ATOM 113 C HIS A 10 8.954 -7.396 -3.948 1.00 0.00 C ATOM 114 O HIS A 10 9.746 -8.113 -4.560 1.00 0.00 O ATOM 115 CB HIS A 10 8.337 -4.978 -3.786 1.00 0.00 C ATOM 116 CG HIS A 10 8.262 -3.707 -4.575 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.226 -2.723 -4.510 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.331 -3.263 -5.451 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.890 -1.728 -5.311 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.745 -2.031 -5.895 1.00 0.00 N ATOM 0 H HIS A 10 6.219 -6.395 -4.141 1.00 0.00 H new ATOM 0 HA HIS A 10 8.745 -6.053 -5.600 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.529 -4.990 -3.054 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.273 -4.995 -3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.430 -3.781 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.456 -0.821 -5.463 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.249 -1.445 -6.567 1.00 0.00 H new ATOM 129 N GLY A 11 8.662 -7.573 -2.663 1.00 0.00 N ATOM 130 CA GLY A 11 9.277 -8.645 -1.903 1.00 0.00 C ATOM 131 C GLY A 11 9.403 -8.313 -0.430 1.00 0.00 C ATOM 132 O GLY A 11 8.415 -7.981 0.226 1.00 0.00 O ATOM 0 H GLY A 11 8.010 -6.993 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.686 -9.553 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.266 -8.854 -2.311 1.00 0.00 H new ATOM 136 N HIS A 12 10.622 -8.401 0.095 1.00 0.00 N ATOM 137 CA HIS A 12 10.873 -8.108 1.501 1.00 0.00 C ATOM 138 C HIS A 12 11.253 -6.643 1.692 1.00 0.00 C ATOM 139 O HIS A 12 12.315 -6.206 1.252 1.00 0.00 O ATOM 140 CB HIS A 12 11.984 -9.010 2.041 1.00 0.00 C ATOM 141 CG HIS A 12 12.366 -8.705 3.457 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.940 -7.607 4.003 1.00 0.00 N flip ATOM 143 CD2 HIS A 12 12.169 -9.589 4.497 1.00 0.00 C flip ATOM 144 CE1 HIS A 12 13.075 -7.845 5.348 1.00 0.00 C flip ATOM 145 NE2 HIS A 12 12.602 -9.048 5.621 1.00 0.00 N flip ATOM 0 H HIS A 12 11.451 -8.673 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 12 9.955 -8.302 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.661 -10.049 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.864 -8.909 1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.729 -10.571 4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.499 -7.160 6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.576 -9.484 6.543 1.00 0.00 H new ATOM 154 N MET A 13 10.377 -5.890 2.349 1.00 0.00 N ATOM 155 CA MET A 13 10.622 -4.474 2.597 1.00 0.00 C ATOM 156 C MET A 13 9.636 -3.924 3.624 1.00 0.00 C ATOM 157 O MET A 13 8.486 -4.358 3.689 1.00 0.00 O ATOM 158 CB MET A 13 10.514 -3.680 1.293 1.00 0.00 C ATOM 159 CG MET A 13 10.369 -2.182 1.506 1.00 0.00 C ATOM 160 SD MET A 13 11.147 -1.216 0.197 1.00 0.00 S ATOM 161 CE MET A 13 10.520 -2.052 -1.258 1.00 0.00 C ATOM 0 H MET A 13 9.492 -6.236 2.719 1.00 0.00 H new ATOM 0 HA MET A 13 11.631 -4.369 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.400 -3.869 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.657 -4.043 0.726 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.311 -1.927 1.560 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.811 -1.911 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.301 -2.097 -2.017 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.213 -3.064 -0.992 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.663 -1.505 -1.651 1.00 0.00 H new ATOM 171 N SER A 14 10.096 -2.967 4.424 1.00 0.00 N ATOM 172 CA SER A 14 9.256 -2.361 5.451 1.00 0.00 C ATOM 173 C SER A 14 8.809 -0.964 5.032 1.00 0.00 C ATOM 174 O SER A 14 9.526 -0.256 4.325 1.00 0.00 O ATOM 175 CB SER A 14 10.010 -2.291 6.780 1.00 0.00 C ATOM 176 OG SER A 14 10.962 -1.241 6.771 1.00 0.00 O ATOM 0 H SER A 14 11.045 -2.595 4.381 1.00 0.00 H new ATOM 0 HA SER A 14 8.371 -2.984 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.303 -2.138 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.512 -3.240 6.967 1.00 0.00 H new ATOM 0 HG SER A 14 11.429 -1.216 7.632 1.00 0.00 H new ATOM 182 N GLY A 15 7.617 -0.573 5.474 1.00 0.00 N ATOM 183 CA GLY A 15 7.093 0.737 5.135 1.00 0.00 C ATOM 184 C GLY A 15 8.156 1.816 5.185 1.00 0.00 C ATOM 185 O GLY A 15 8.105 2.782 4.424 1.00 0.00 O ATOM 0 H GLY A 15 7.005 -1.140 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.659 0.704 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.288 0.992 5.824 1.00 0.00 H new ATOM 189 N GLY A 16 9.122 1.653 6.083 1.00 0.00 N ATOM 190 CA GLY A 16 10.188 2.630 6.214 1.00 0.00 C ATOM 191 C GLY A 16 10.944 2.840 4.917 1.00 0.00 C ATOM 192 O GLY A 16 11.289 3.968 4.568 1.00 0.00 O ATOM 0 H GLY A 16 9.186 0.861 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.768 3.580 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.883 2.303 6.987 1.00 0.00 H new ATOM 196 N GLN A 17 11.203 1.749 4.202 1.00 0.00 N ATOM 197 CA GLN A 17 11.926 1.819 2.937 1.00 0.00 C ATOM 198 C GLN A 17 10.975 2.115 1.783 1.00 0.00 C ATOM 199 O GLN A 17 11.350 2.770 0.810 1.00 0.00 O ATOM 200 CB GLN A 17 12.670 0.508 2.678 1.00 0.00 C ATOM 201 CG GLN A 17 13.580 0.555 1.461 1.00 0.00 C ATOM 202 CD GLN A 17 14.742 1.511 1.639 1.00 0.00 C ATOM 203 OE1 GLN A 17 15.149 1.811 2.762 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.285 1.997 0.529 1.00 0.00 N ATOM 0 H GLN A 17 10.923 0.807 4.477 1.00 0.00 H new ATOM 0 HA GLN A 17 12.649 2.631 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 17 13.265 0.258 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.943 -0.293 2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.964 -0.445 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.999 0.854 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.917 1.722 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.070 2.645 0.587 1.00 0.00 H new ATOM 213 N ALA A 18 9.743 1.629 1.897 1.00 0.00 N ATOM 214 CA ALA A 18 8.739 1.844 0.864 1.00 0.00 C ATOM 215 C ALA A 18 8.478 3.331 0.651 1.00 0.00 C ATOM 216 O ALA A 18 8.500 3.819 -0.479 1.00 0.00 O ATOM 217 CB ALA A 18 7.447 1.125 1.225 1.00 0.00 C ATOM 0 H ALA A 18 9.417 1.084 2.695 1.00 0.00 H new ATOM 0 HA ALA A 18 9.122 1.433 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.706 1.295 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.639 0.056 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.070 1.509 2.173 1.00 0.00 H new ATOM 223 N GLU A 19 8.229 4.045 1.744 1.00 0.00 N ATOM 224 CA GLU A 19 7.962 5.477 1.676 1.00 0.00 C ATOM 225 C GLU A 19 9.036 6.193 0.862 1.00 0.00 C ATOM 226 O GLU A 19 8.732 7.012 -0.004 1.00 0.00 O ATOM 227 CB GLU A 19 7.891 6.072 3.084 1.00 0.00 C ATOM 228 CG GLU A 19 6.549 5.866 3.766 1.00 0.00 C ATOM 229 CD GLU A 19 6.215 6.975 4.745 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.666 8.008 4.308 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.505 6.808 5.948 1.00 0.00 O ATOM 0 H GLU A 19 8.207 3.656 2.687 1.00 0.00 H new ATOM 0 HA GLU A 19 7.001 5.619 1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.673 5.625 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.101 7.140 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.767 5.807 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.556 4.912 4.293 1.00 0.00 H new ATOM 238 N THR A 20 10.296 5.878 1.149 1.00 0.00 N ATOM 239 CA THR A 20 11.416 6.491 0.447 1.00 0.00 C ATOM 240 C THR A 20 11.336 6.223 -1.052 1.00 0.00 C ATOM 241 O THR A 20 11.639 7.098 -1.866 1.00 0.00 O ATOM 242 CB THR A 20 12.765 5.972 0.979 1.00 0.00 C ATOM 243 OG1 THR A 20 12.865 6.220 2.386 1.00 0.00 O ATOM 244 CG2 THR A 20 13.925 6.641 0.257 1.00 0.00 C ATOM 0 H THR A 20 10.566 5.202 1.863 1.00 0.00 H new ATOM 0 HA THR A 20 11.353 7.564 0.626 1.00 0.00 H new ATOM 0 HB THR A 20 12.814 4.899 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.725 5.886 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.867 6.259 0.650 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.862 6.426 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.878 7.719 0.413 1.00 0.00 H new ATOM 252 N LEU A 21 10.928 5.012 -1.412 1.00 0.00 N ATOM 253 CA LEU A 21 10.810 4.630 -2.814 1.00 0.00 C ATOM 254 C LEU A 21 9.590 5.284 -3.455 1.00 0.00 C ATOM 255 O LEU A 21 9.718 6.140 -4.330 1.00 0.00 O ATOM 256 CB LEU A 21 10.713 3.108 -2.943 1.00 0.00 C ATOM 257 CG LEU A 21 11.999 2.329 -2.667 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.715 0.836 -2.602 1.00 0.00 C ATOM 259 CD2 LEU A 21 13.043 2.629 -3.732 1.00 0.00 C ATOM 0 H LEU A 21 10.673 4.277 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 21 11.702 4.976 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.943 2.754 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.377 2.869 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 21 12.393 2.646 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.642 0.298 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.002 0.636 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.297 0.503 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.952 2.066 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.658 2.341 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.268 3.695 -3.730 1.00 0.00 H new ATOM 271 N LEU A 22 8.405 4.876 -3.012 1.00 0.00 N ATOM 272 CA LEU A 22 7.160 5.425 -3.540 1.00 0.00 C ATOM 273 C LEU A 22 7.282 6.927 -3.771 1.00 0.00 C ATOM 274 O LEU A 22 6.886 7.437 -4.819 1.00 0.00 O ATOM 275 CB LEU A 22 6.005 5.136 -2.580 1.00 0.00 C ATOM 276 CG LEU A 22 5.310 3.785 -2.751 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.388 3.505 -1.575 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.536 3.746 -4.060 1.00 0.00 C ATOM 0 H LEU A 22 8.280 4.167 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 22 6.957 4.945 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.383 5.201 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.259 5.922 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 22 6.073 3.007 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.903 2.539 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.969 3.489 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.630 4.286 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.048 2.777 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.783 4.534 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.222 3.899 -4.893 1.00 0.00 H new ATOM 290 N GLN A 23 7.834 7.629 -2.787 1.00 0.00 N ATOM 291 CA GLN A 23 8.009 9.074 -2.885 1.00 0.00 C ATOM 292 C GLN A 23 9.122 9.422 -3.868 1.00 0.00 C ATOM 293 O GLN A 23 9.077 10.459 -4.529 1.00 0.00 O ATOM 294 CB GLN A 23 8.324 9.665 -1.510 1.00 0.00 C ATOM 295 CG GLN A 23 7.205 9.480 -0.497 1.00 0.00 C ATOM 296 CD GLN A 23 7.678 9.650 0.932 1.00 0.00 C ATOM 297 OE1 GLN A 23 8.711 9.107 1.326 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.923 10.407 1.720 1.00 0.00 N ATOM 0 H GLN A 23 8.168 7.222 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 23 7.077 9.503 -3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.232 9.202 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.531 10.730 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.412 10.200 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.772 8.487 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.075 10.838 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.191 10.557 2.693 1.00 0.00 H new ATOM 307 N ALA A 24 10.119 8.548 -3.959 1.00 0.00 N ATOM 308 CA ALA A 24 11.243 8.762 -4.863 1.00 0.00 C ATOM 309 C ALA A 24 10.764 8.956 -6.297 1.00 0.00 C ATOM 310 O ALA A 24 11.193 9.881 -6.987 1.00 0.00 O ATOM 311 CB ALA A 24 12.216 7.596 -4.781 1.00 0.00 C ATOM 0 H ALA A 24 10.171 7.685 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 24 11.758 9.672 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.050 7.769 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.592 7.507 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.705 6.675 -5.061 1.00 0.00 H new ATOM 317 N LYS A 25 9.873 8.076 -6.742 1.00 0.00 N ATOM 318 CA LYS A 25 9.334 8.149 -8.096 1.00 0.00 C ATOM 319 C LYS A 25 8.563 9.449 -8.304 1.00 0.00 C ATOM 320 O LYS A 25 8.708 10.109 -9.331 1.00 0.00 O ATOM 321 CB LYS A 25 8.423 6.951 -8.368 1.00 0.00 C ATOM 322 CG LYS A 25 8.155 6.715 -9.845 1.00 0.00 C ATOM 323 CD LYS A 25 7.835 5.257 -10.127 1.00 0.00 C ATOM 324 CE LYS A 25 7.591 5.017 -11.609 1.00 0.00 C ATOM 325 NZ LYS A 25 7.953 3.629 -12.013 1.00 0.00 N ATOM 0 H LYS A 25 9.509 7.303 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 25 10.169 8.128 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.876 6.056 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.474 7.103 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.323 7.340 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.026 7.016 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.659 4.630 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.953 4.960 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.541 5.200 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.174 5.729 -12.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.772 3.505 -13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.961 3.462 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.379 2.950 -11.474 1.00 0.00 H new ATOM 339 N GLY A 26 7.742 9.808 -7.322 1.00 0.00 N ATOM 340 CA GLY A 26 6.960 11.027 -7.418 1.00 0.00 C ATOM 341 C GLY A 26 5.677 10.833 -8.200 1.00 0.00 C ATOM 342 O GLY A 26 5.157 11.776 -8.795 1.00 0.00 O ATOM 0 H GLY A 26 7.604 9.277 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.721 11.381 -6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.559 11.802 -7.895 1.00 0.00 H new ATOM 346 N GLU A 27 5.165 9.605 -8.202 1.00 0.00 N ATOM 347 CA GLU A 27 3.936 9.291 -8.920 1.00 0.00 C ATOM 348 C GLU A 27 2.771 9.111 -7.951 1.00 0.00 C ATOM 349 O GLU A 27 2.756 8.201 -7.122 1.00 0.00 O ATOM 350 CB GLU A 27 4.119 8.023 -9.757 1.00 0.00 C ATOM 351 CG GLU A 27 4.719 8.281 -11.129 1.00 0.00 C ATOM 352 CD GLU A 27 4.926 7.007 -11.924 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.495 5.935 -11.448 1.00 0.00 O ATOM 354 OE2 GLU A 27 5.518 7.081 -13.021 1.00 0.00 O ATOM 0 H GLU A 27 5.583 8.813 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 27 3.708 10.126 -9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.760 7.329 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.152 7.535 -9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.065 8.951 -11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.675 8.792 -11.013 1.00 0.00 H new ATOM 361 N PRO A 28 1.771 9.999 -8.056 1.00 0.00 N ATOM 362 CA PRO A 28 0.584 9.960 -7.197 1.00 0.00 C ATOM 363 C PRO A 28 -0.314 8.766 -7.505 1.00 0.00 C ATOM 364 O PRO A 28 -0.397 8.318 -8.648 1.00 0.00 O ATOM 365 CB PRO A 28 -0.136 11.269 -7.528 1.00 0.00 C ATOM 366 CG PRO A 28 0.309 11.609 -8.908 1.00 0.00 C ATOM 367 CD PRO A 28 1.724 11.110 -9.021 1.00 0.00 C ATOM 0 HA PRO A 28 0.845 9.856 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.218 11.148 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.129 12.056 -6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.332 11.137 -9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.259 12.684 -9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.952 10.774 -10.032 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.446 11.888 -8.773 1.00 0.00 H new ATOM 375 N TRP A 29 -0.984 8.256 -6.478 1.00 0.00 N ATOM 376 CA TRP A 29 -1.876 7.114 -6.639 1.00 0.00 C ATOM 377 C TRP A 29 -1.092 5.856 -6.995 1.00 0.00 C ATOM 378 O TRP A 29 -1.589 4.982 -7.706 1.00 0.00 O ATOM 379 CB TRP A 29 -2.919 7.404 -7.721 1.00 0.00 C ATOM 380 CG TRP A 29 -3.647 8.697 -7.514 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.817 9.698 -8.427 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.303 9.128 -6.316 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.538 10.725 -7.869 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.849 10.400 -6.575 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.483 8.563 -5.051 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.560 11.115 -5.615 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.189 9.274 -4.099 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.721 10.537 -4.385 1.00 0.00 C ATOM 0 H TRP A 29 -0.926 8.615 -5.525 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.385 6.945 -5.690 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.427 7.424 -8.693 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.642 6.589 -7.746 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.440 9.684 -9.439 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.800 11.590 -8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.078 7.589 -4.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.970 12.090 -5.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.333 8.848 -3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.269 11.066 -3.620 1.00 0.00 H new ATOM 399 N THR A 30 0.138 5.769 -6.496 1.00 0.00 N ATOM 400 CA THR A 30 0.990 4.619 -6.762 1.00 0.00 C ATOM 401 C THR A 30 0.863 3.573 -5.660 1.00 0.00 C ATOM 402 O THR A 30 1.207 3.828 -4.506 1.00 0.00 O ATOM 403 CB THR A 30 2.469 5.033 -6.892 1.00 0.00 C ATOM 404 OG1 THR A 30 2.638 5.894 -8.024 1.00 0.00 O ATOM 405 CG2 THR A 30 3.362 3.811 -7.040 1.00 0.00 C ATOM 0 H THR A 30 0.565 6.483 -5.905 1.00 0.00 H new ATOM 0 HA THR A 30 0.655 4.190 -7.707 1.00 0.00 H new ATOM 0 HB THR A 30 2.756 5.565 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.201 6.754 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.401 4.128 -7.130 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.252 3.172 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.074 3.256 -7.932 1.00 0.00 H new ATOM 413 N PHE A 31 0.366 2.395 -6.025 1.00 0.00 N ATOM 414 CA PHE A 31 0.193 1.310 -5.065 1.00 0.00 C ATOM 415 C PHE A 31 1.259 0.236 -5.260 1.00 0.00 C ATOM 416 O PHE A 31 1.800 0.074 -6.355 1.00 0.00 O ATOM 417 CB PHE A 31 -1.201 0.693 -5.208 1.00 0.00 C ATOM 418 CG PHE A 31 -1.296 -0.322 -6.310 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.550 0.072 -7.614 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.132 -1.672 -6.043 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.638 -0.861 -8.631 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.219 -2.609 -7.056 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.474 -2.203 -8.351 1.00 0.00 C ATOM 0 H PHE A 31 0.077 2.168 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 31 0.299 1.724 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.479 0.222 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.924 1.487 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.681 1.120 -7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.934 -1.996 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.835 -0.540 -9.643 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.088 -3.658 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.545 -2.934 -9.143 1.00 0.00 H new ATOM 433 N LEU A 32 1.557 -0.494 -4.192 1.00 0.00 N ATOM 434 CA LEU A 32 2.559 -1.553 -4.243 1.00 0.00 C ATOM 435 C LEU A 32 2.297 -2.605 -3.171 1.00 0.00 C ATOM 436 O LEU A 32 1.910 -2.278 -2.048 1.00 0.00 O ATOM 437 CB LEU A 32 3.960 -0.965 -4.066 1.00 0.00 C ATOM 438 CG LEU A 32 4.443 -0.807 -2.623 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.083 -2.095 -2.130 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.421 0.353 -2.512 1.00 0.00 C ATOM 0 H LEU A 32 1.119 -0.372 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 32 2.494 -2.034 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.669 -1.600 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.985 0.013 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 32 3.580 -0.590 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.420 -1.963 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.353 -2.903 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.935 -2.343 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.754 0.451 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.281 0.166 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.929 1.275 -2.823 1.00 0.00 H new ATOM 452 N VAL A 33 2.511 -3.868 -3.523 1.00 0.00 N ATOM 453 CA VAL A 33 2.300 -4.968 -2.590 1.00 0.00 C ATOM 454 C VAL A 33 3.623 -5.618 -2.198 1.00 0.00 C ATOM 455 O VAL A 33 4.476 -5.871 -3.048 1.00 0.00 O ATOM 456 CB VAL A 33 1.371 -6.042 -3.187 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.031 -7.096 -2.145 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.108 -5.403 -3.742 1.00 0.00 C ATOM 0 H VAL A 33 2.831 -4.155 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 33 1.829 -4.544 -1.703 1.00 0.00 H new ATOM 0 HB VAL A 33 1.894 -6.534 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.374 -7.845 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.947 -7.575 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.528 -6.624 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.537 -6.176 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.419 -4.884 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.374 -4.691 -4.523 1.00 0.00 H new ATOM 468 N ARG A 34 3.785 -5.885 -0.906 1.00 0.00 N ATOM 469 CA ARG A 34 5.004 -6.505 -0.402 1.00 0.00 C ATOM 470 C ARG A 34 4.704 -7.397 0.799 1.00 0.00 C ATOM 471 O ARG A 34 3.570 -7.454 1.273 1.00 0.00 O ATOM 472 CB ARG A 34 6.023 -5.432 -0.012 1.00 0.00 C ATOM 473 CG ARG A 34 5.605 -4.605 1.192 1.00 0.00 C ATOM 474 CD ARG A 34 6.729 -3.694 1.660 1.00 0.00 C ATOM 475 NE ARG A 34 6.759 -2.436 0.918 1.00 0.00 N ATOM 476 CZ ARG A 34 7.350 -2.294 -0.263 1.00 0.00 C ATOM 477 NH1 ARG A 34 7.956 -3.327 -0.833 1.00 0.00 N ATOM 478 NH2 ARG A 34 7.335 -1.118 -0.876 1.00 0.00 N ATOM 0 H ARG A 34 3.088 -5.682 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 34 5.423 -7.123 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.979 -5.911 0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.181 -4.767 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.731 -4.005 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.310 -5.268 2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.608 -3.485 2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.684 -4.207 1.543 1.00 0.00 H new ATOM 0 HE ARG A 34 6.301 -1.622 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.969 -4.233 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.409 -3.216 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.869 -0.322 -0.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.789 -1.010 -1.783 1.00 0.00 H new ATOM 492 N GLU A 35 5.728 -8.092 1.285 1.00 0.00 N ATOM 493 CA GLU A 35 5.572 -8.982 2.429 1.00 0.00 C ATOM 494 C GLU A 35 5.644 -8.203 3.739 1.00 0.00 C ATOM 495 O GLU A 35 6.292 -7.159 3.817 1.00 0.00 O ATOM 496 CB GLU A 35 6.649 -10.069 2.409 1.00 0.00 C ATOM 497 CG GLU A 35 6.503 -11.050 1.257 1.00 0.00 C ATOM 498 CD GLU A 35 5.577 -12.204 1.589 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.452 -11.943 2.065 1.00 0.00 O ATOM 500 OE2 GLU A 35 5.976 -13.367 1.373 1.00 0.00 O ATOM 0 H GLU A 35 6.674 -8.056 0.904 1.00 0.00 H new ATOM 0 HA GLU A 35 4.591 -9.452 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.629 -9.596 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.616 -10.619 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.122 -10.523 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.485 -11.442 0.991 1.00 0.00 H new ATOM 507 N SER A 36 4.976 -8.718 4.765 1.00 0.00 N ATOM 508 CA SER A 36 4.960 -8.069 6.070 1.00 0.00 C ATOM 509 C SER A 36 6.175 -8.481 6.896 1.00 0.00 C ATOM 510 O SER A 36 6.975 -9.316 6.472 1.00 0.00 O ATOM 511 CB SER A 36 3.675 -8.420 6.823 1.00 0.00 C ATOM 512 OG SER A 36 2.563 -7.729 6.282 1.00 0.00 O ATOM 0 H SER A 36 4.438 -9.583 4.718 1.00 0.00 H new ATOM 0 HA SER A 36 4.997 -6.991 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.500 -9.495 6.770 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.787 -8.167 7.877 1.00 0.00 H new ATOM 0 HG SER A 36 1.788 -7.844 6.871 1.00 0.00 H new ATOM 518 N LEU A 37 6.308 -7.888 8.078 1.00 0.00 N ATOM 519 CA LEU A 37 7.425 -8.192 8.965 1.00 0.00 C ATOM 520 C LEU A 37 6.927 -8.738 10.300 1.00 0.00 C ATOM 521 O LEU A 37 7.211 -9.881 10.658 1.00 0.00 O ATOM 522 CB LEU A 37 8.272 -6.940 9.197 1.00 0.00 C ATOM 523 CG LEU A 37 8.733 -6.198 7.942 1.00 0.00 C ATOM 524 CD1 LEU A 37 9.679 -5.064 8.308 1.00 0.00 C ATOM 525 CD2 LEU A 37 9.401 -7.159 6.970 1.00 0.00 C ATOM 0 H LEU A 37 5.656 -7.194 8.444 1.00 0.00 H new ATOM 0 HA LEU A 37 8.039 -8.956 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.699 -6.248 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.154 -7.224 9.771 1.00 0.00 H new ATOM 0 HG LEU A 37 7.857 -5.769 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.996 -4.548 7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.167 -4.361 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.552 -5.469 8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.723 -6.614 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.267 -7.617 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.693 -7.936 6.682 1.00 0.00 H new ATOM 537 N SER A 38 6.182 -7.914 11.030 1.00 0.00 N ATOM 538 CA SER A 38 5.646 -8.315 12.325 1.00 0.00 C ATOM 539 C SER A 38 4.899 -9.640 12.219 1.00 0.00 C ATOM 540 O SER A 38 5.049 -10.520 13.065 1.00 0.00 O ATOM 541 CB SER A 38 4.713 -7.232 12.871 1.00 0.00 C ATOM 542 OG SER A 38 5.443 -6.087 13.277 1.00 0.00 O ATOM 0 H SER A 38 5.936 -6.965 10.747 1.00 0.00 H new ATOM 0 HA SER A 38 6.482 -8.445 13.012 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.988 -6.953 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.149 -7.626 13.716 1.00 0.00 H new ATOM 0 HG SER A 38 4.824 -5.409 13.620 1.00 0.00 H new ATOM 548 N GLN A 39 4.092 -9.774 11.171 1.00 0.00 N ATOM 549 CA GLN A 39 3.319 -10.991 10.952 1.00 0.00 C ATOM 550 C GLN A 39 3.843 -11.760 9.745 1.00 0.00 C ATOM 551 O GLN A 39 3.836 -11.271 8.615 1.00 0.00 O ATOM 552 CB GLN A 39 1.841 -10.653 10.753 1.00 0.00 C ATOM 553 CG GLN A 39 1.102 -10.369 12.052 1.00 0.00 C ATOM 554 CD GLN A 39 0.786 -11.630 12.832 1.00 0.00 C ATOM 555 OE1 GLN A 39 1.634 -12.154 13.555 1.00 0.00 O ATOM 556 NE2 GLN A 39 -0.438 -12.124 12.690 1.00 0.00 N ATOM 0 H GLN A 39 3.957 -9.055 10.460 1.00 0.00 H new ATOM 0 HA GLN A 39 3.425 -11.621 11.835 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.760 -9.783 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.353 -11.482 10.241 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.705 -9.705 12.671 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.174 -9.842 11.830 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.109 -11.657 12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.708 -12.971 13.191 1.00 0.00 H new ATOM 565 N PRO A 40 4.313 -12.993 9.985 1.00 0.00 N ATOM 566 CA PRO A 40 4.851 -13.856 8.929 1.00 0.00 C ATOM 567 C PRO A 40 3.768 -14.348 7.975 1.00 0.00 C ATOM 568 O PRO A 40 2.822 -15.017 8.387 1.00 0.00 O ATOM 569 CB PRO A 40 5.455 -15.030 9.704 1.00 0.00 C ATOM 570 CG PRO A 40 4.697 -15.069 10.985 1.00 0.00 C ATOM 571 CD PRO A 40 4.354 -13.641 11.307 1.00 0.00 C ATOM 0 HA PRO A 40 5.568 -13.330 8.298 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.349 -15.964 9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.521 -14.882 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.796 -15.674 10.887 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.296 -15.515 11.779 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.396 -13.564 11.822 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.102 -13.184 11.955 1.00 0.00 H new ATOM 579 N GLY A 41 3.914 -14.011 6.697 1.00 0.00 N ATOM 580 CA GLY A 41 2.941 -14.429 5.704 1.00 0.00 C ATOM 581 C GLY A 41 2.068 -13.284 5.233 1.00 0.00 C ATOM 582 O GLY A 41 1.859 -13.109 4.031 1.00 0.00 O ATOM 0 H GLY A 41 4.688 -13.456 6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.461 -14.861 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.311 -15.213 6.124 1.00 0.00 H new ATOM 586 N ASP A 42 1.556 -12.503 6.177 1.00 0.00 N ATOM 587 CA ASP A 42 0.700 -11.368 5.852 1.00 0.00 C ATOM 588 C ASP A 42 1.337 -10.499 4.771 1.00 0.00 C ATOM 589 O ASP A 42 2.446 -10.774 4.314 1.00 0.00 O ATOM 590 CB ASP A 42 0.428 -10.532 7.102 1.00 0.00 C ATOM 591 CG ASP A 42 -0.803 -10.998 7.854 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.147 -12.193 7.746 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.423 -10.167 8.551 1.00 0.00 O ATOM 0 H ASP A 42 1.719 -12.635 7.175 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.245 -11.755 5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.294 -10.580 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.302 -9.488 6.817 1.00 0.00 H new ATOM 598 N PHE A 43 0.627 -9.451 4.368 1.00 0.00 N ATOM 599 CA PHE A 43 1.122 -8.542 3.341 1.00 0.00 C ATOM 600 C PHE A 43 0.844 -7.090 3.719 1.00 0.00 C ATOM 601 O PHE A 43 0.025 -6.810 4.594 1.00 0.00 O ATOM 602 CB PHE A 43 0.474 -8.862 1.992 1.00 0.00 C ATOM 603 CG PHE A 43 0.804 -10.235 1.479 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.385 -11.365 2.164 1.00 0.00 C ATOM 605 CD2 PHE A 43 1.534 -10.397 0.313 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.686 -12.629 1.695 1.00 0.00 C ATOM 607 CE2 PHE A 43 1.838 -11.659 -0.162 1.00 0.00 C ATOM 608 CZ PHE A 43 1.415 -12.776 0.531 1.00 0.00 C ATOM 0 H PHE A 43 -0.293 -9.210 4.737 1.00 0.00 H new ATOM 0 HA PHE A 43 2.200 -8.678 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.608 -8.768 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.795 -8.122 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.184 -11.256 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.870 -9.527 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.352 -13.501 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.406 -11.771 -1.074 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.654 -13.763 0.163 1.00 0.00 H new ATOM 618 N VAL A 44 1.535 -6.170 3.053 1.00 0.00 N ATOM 619 CA VAL A 44 1.363 -4.746 3.317 1.00 0.00 C ATOM 620 C VAL A 44 1.043 -3.984 2.037 1.00 0.00 C ATOM 621 O VAL A 44 1.825 -3.989 1.085 1.00 0.00 O ATOM 622 CB VAL A 44 2.624 -4.138 3.961 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.448 -2.643 4.171 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.938 -4.837 5.276 1.00 0.00 C ATOM 0 H VAL A 44 2.219 -6.385 2.327 1.00 0.00 H new ATOM 0 HA VAL A 44 0.528 -4.652 4.011 1.00 0.00 H new ATOM 0 HB VAL A 44 3.466 -4.288 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.348 -2.231 4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.273 -2.159 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.596 -2.466 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.831 -4.396 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.098 -4.719 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.110 -5.898 5.092 1.00 0.00 H new ATOM 634 N LEU A 45 -0.112 -3.327 2.019 1.00 0.00 N ATOM 635 CA LEU A 45 -0.538 -2.558 0.854 1.00 0.00 C ATOM 636 C LEU A 45 -0.168 -1.086 1.009 1.00 0.00 C ATOM 637 O LEU A 45 -0.820 -0.346 1.746 1.00 0.00 O ATOM 638 CB LEU A 45 -2.047 -2.698 0.649 1.00 0.00 C ATOM 639 CG LEU A 45 -2.550 -2.508 -0.782 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.162 -1.135 -1.306 1.00 0.00 C ATOM 641 CD2 LEU A 45 -2.003 -3.602 -1.689 1.00 0.00 C ATOM 0 H LEU A 45 -0.770 -3.311 2.798 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.021 -2.954 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.350 -3.688 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.549 -1.972 1.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.638 -2.578 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.528 -1.018 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.602 -0.366 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.077 -1.035 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.371 -3.451 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.914 -3.564 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.332 -4.575 -1.325 1.00 0.00 H new ATOM 653 N SER A 46 0.882 -0.668 0.309 1.00 0.00 N ATOM 654 CA SER A 46 1.339 0.715 0.370 1.00 0.00 C ATOM 655 C SER A 46 0.871 1.497 -0.854 1.00 0.00 C ATOM 656 O SER A 46 0.998 1.033 -1.987 1.00 0.00 O ATOM 657 CB SER A 46 2.865 0.766 0.470 1.00 0.00 C ATOM 658 OG SER A 46 3.288 0.755 1.823 1.00 0.00 O ATOM 0 H SER A 46 1.432 -1.267 -0.307 1.00 0.00 H new ATOM 0 HA SER A 46 0.908 1.175 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.296 -0.086 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.235 1.665 -0.023 1.00 0.00 H new ATOM 0 HG SER A 46 2.956 1.558 2.276 1.00 0.00 H new ATOM 664 N VAL A 47 0.330 2.688 -0.617 1.00 0.00 N ATOM 665 CA VAL A 47 -0.157 3.534 -1.698 1.00 0.00 C ATOM 666 C VAL A 47 0.249 4.988 -1.483 1.00 0.00 C ATOM 667 O VAL A 47 0.167 5.508 -0.369 1.00 0.00 O ATOM 668 CB VAL A 47 -1.689 3.455 -1.828 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.164 4.244 -3.039 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.142 2.005 -1.916 1.00 0.00 C ATOM 0 H VAL A 47 0.218 3.088 0.315 1.00 0.00 H new ATOM 0 HA VAL A 47 0.297 3.164 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.135 3.898 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.249 4.176 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.872 5.289 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.711 3.833 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.228 1.968 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.688 1.534 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.835 1.473 -1.016 1.00 0.00 H new ATOM 680 N LEU A 48 0.687 5.640 -2.554 1.00 0.00 N ATOM 681 CA LEU A 48 1.106 7.036 -2.483 1.00 0.00 C ATOM 682 C LEU A 48 -0.037 7.967 -2.872 1.00 0.00 C ATOM 683 O LEU A 48 -0.588 7.867 -3.968 1.00 0.00 O ATOM 684 CB LEU A 48 2.308 7.275 -3.399 1.00 0.00 C ATOM 685 CG LEU A 48 3.051 8.596 -3.198 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.658 8.662 -1.805 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.128 8.769 -4.260 1.00 0.00 C ATOM 0 H LEU A 48 0.761 5.225 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 48 1.392 7.252 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.015 6.458 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.967 7.226 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 48 2.335 9.412 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.183 9.609 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.867 8.585 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.360 7.839 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.647 9.715 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.842 7.948 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.668 8.769 -5.248 1.00 0.00 H new ATOM 699 N SER A 49 -0.388 8.875 -1.966 1.00 0.00 N ATOM 700 CA SER A 49 -1.466 9.824 -2.214 1.00 0.00 C ATOM 701 C SER A 49 -0.974 11.000 -3.053 1.00 0.00 C ATOM 702 O SER A 49 0.229 11.241 -3.158 1.00 0.00 O ATOM 703 CB SER A 49 -2.040 10.334 -0.890 1.00 0.00 C ATOM 704 OG SER A 49 -1.097 11.135 -0.200 1.00 0.00 O ATOM 0 H SER A 49 0.059 8.973 -1.054 1.00 0.00 H new ATOM 0 HA SER A 49 -2.250 9.307 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.943 10.913 -1.081 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.329 9.489 -0.266 1.00 0.00 H new ATOM 0 HG SER A 49 -0.323 10.588 0.049 1.00 0.00 H new ATOM 710 N ASP A 50 -1.912 11.728 -3.647 1.00 0.00 N ATOM 711 CA ASP A 50 -1.575 12.879 -4.477 1.00 0.00 C ATOM 712 C ASP A 50 -1.494 14.150 -3.636 1.00 0.00 C ATOM 713 O ASP A 50 -1.518 15.259 -4.168 1.00 0.00 O ATOM 714 CB ASP A 50 -2.611 13.055 -5.589 1.00 0.00 C ATOM 715 CG ASP A 50 -2.389 14.321 -6.393 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.217 14.712 -6.571 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.388 14.921 -6.842 1.00 0.00 O ATOM 0 H ASP A 50 -2.912 11.542 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.598 12.698 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.574 12.194 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.609 13.076 -5.151 1.00 0.00 H new ATOM 722 N GLN A 51 -1.397 13.978 -2.322 1.00 0.00 N ATOM 723 CA GLN A 51 -1.313 15.111 -1.409 1.00 0.00 C ATOM 724 C GLN A 51 -0.001 15.088 -0.631 1.00 0.00 C ATOM 725 O GLN A 51 0.368 14.086 -0.017 1.00 0.00 O ATOM 726 CB GLN A 51 -2.495 15.098 -0.437 1.00 0.00 C ATOM 727 CG GLN A 51 -3.832 15.386 -1.102 1.00 0.00 C ATOM 728 CD GLN A 51 -4.104 16.869 -1.247 1.00 0.00 C ATOM 729 OE1 GLN A 51 -3.192 17.692 -1.150 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.363 17.221 -1.481 1.00 0.00 N ATOM 0 H GLN A 51 -1.375 13.066 -1.866 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.347 16.025 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.543 14.124 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.320 15.838 0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.852 14.919 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.630 14.930 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.087 16.506 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.606 18.206 -1.588 1.00 0.00 H new ATOM 739 N PRO A 52 0.723 16.217 -0.658 1.00 0.00 N ATOM 740 CA PRO A 52 2.006 16.352 0.040 1.00 0.00 C ATOM 741 C PRO A 52 1.841 16.376 1.555 1.00 0.00 C ATOM 742 O PRO A 52 0.817 16.823 2.073 1.00 0.00 O ATOM 743 CB PRO A 52 2.541 17.696 -0.462 1.00 0.00 C ATOM 744 CG PRO A 52 1.329 18.464 -0.857 1.00 0.00 C ATOM 745 CD PRO A 52 0.343 17.450 -1.369 1.00 0.00 C ATOM 0 HA PRO A 52 2.671 15.511 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.101 18.214 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.217 17.562 -1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.920 19.011 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.567 19.200 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.684 17.741 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.415 17.329 -2.450 1.00 0.00 H new ATOM 753 N LYS A 53 2.857 15.894 2.264 1.00 0.00 N ATOM 754 CA LYS A 53 2.828 15.862 3.721 1.00 0.00 C ATOM 755 C LYS A 53 3.007 17.261 4.300 1.00 0.00 C ATOM 756 O LYS A 53 2.390 17.611 5.306 1.00 0.00 O ATOM 757 CB LYS A 53 3.922 14.934 4.253 1.00 0.00 C ATOM 758 CG LYS A 53 5.323 15.342 3.832 1.00 0.00 C ATOM 759 CD LYS A 53 6.333 14.242 4.118 1.00 0.00 C ATOM 760 CE LYS A 53 6.483 13.998 5.612 1.00 0.00 C ATOM 761 NZ LYS A 53 7.303 12.788 5.897 1.00 0.00 N ATOM 0 H LYS A 53 3.712 15.520 1.852 1.00 0.00 H new ATOM 0 HA LYS A 53 1.855 15.482 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.871 14.912 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.728 13.920 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.330 15.577 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.613 16.250 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.018 13.321 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.299 14.515 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.946 14.868 6.077 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.497 13.883 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.382 12.656 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.848 11.953 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.252 12.908 5.490 1.00 0.00 H new ATOM 775 N ALA A 54 3.855 18.058 3.658 1.00 0.00 N ATOM 776 CA ALA A 54 4.112 19.421 4.108 1.00 0.00 C ATOM 777 C ALA A 54 4.073 20.401 2.940 1.00 0.00 C ATOM 778 O ALA A 54 5.100 20.699 2.332 1.00 0.00 O ATOM 779 CB ALA A 54 5.456 19.497 4.818 1.00 0.00 C ATOM 0 H ALA A 54 4.376 17.784 2.825 1.00 0.00 H new ATOM 0 HA ALA A 54 3.326 19.701 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.635 20.520 5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.449 18.832 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.247 19.193 4.133 1.00 0.00 H new ATOM 785 N GLY A 55 2.879 20.899 2.631 1.00 0.00 N ATOM 786 CA GLY A 55 2.729 21.840 1.536 1.00 0.00 C ATOM 787 C GLY A 55 3.531 21.441 0.314 1.00 0.00 C ATOM 788 O GLY A 55 3.980 20.302 0.185 1.00 0.00 O ATOM 0 H GLY A 55 2.014 20.668 3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.675 21.914 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.044 22.830 1.866 1.00 0.00 H new ATOM 792 N PRO A 56 3.719 22.393 -0.611 1.00 0.00 N ATOM 793 CA PRO A 56 4.472 22.157 -1.847 1.00 0.00 C ATOM 794 C PRO A 56 5.965 21.974 -1.590 1.00 0.00 C ATOM 795 O PRO A 56 6.563 22.704 -0.802 1.00 0.00 O ATOM 796 CB PRO A 56 4.223 23.428 -2.663 1.00 0.00 C ATOM 797 CG PRO A 56 3.922 24.476 -1.647 1.00 0.00 C ATOM 798 CD PRO A 56 3.213 23.772 -0.524 1.00 0.00 C ATOM 0 HA PRO A 56 4.155 21.243 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.096 23.693 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.392 23.297 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.837 24.951 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.297 25.262 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.442 24.224 0.441 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.130 23.811 -0.645 1.00 0.00 H new ATOM 806 N GLY A 57 6.560 20.993 -2.262 1.00 0.00 N ATOM 807 CA GLY A 57 7.977 20.731 -2.093 1.00 0.00 C ATOM 808 C GLY A 57 8.244 19.434 -1.354 1.00 0.00 C ATOM 809 O GLY A 57 9.263 18.781 -1.581 1.00 0.00 O ATOM 0 H GLY A 57 6.086 20.375 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.455 20.693 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.433 21.557 -1.547 1.00 0.00 H new ATOM 813 N SER A 58 7.326 19.061 -0.468 1.00 0.00 N ATOM 814 CA SER A 58 7.470 17.836 0.309 1.00 0.00 C ATOM 815 C SER A 58 6.957 16.631 -0.474 1.00 0.00 C ATOM 816 O SER A 58 6.112 16.749 -1.361 1.00 0.00 O ATOM 817 CB SER A 58 6.714 17.956 1.635 1.00 0.00 C ATOM 818 OG SER A 58 5.376 18.375 1.422 1.00 0.00 O ATOM 0 H SER A 58 6.476 19.589 -0.271 1.00 0.00 H new ATOM 0 HA SER A 58 8.530 17.689 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.720 16.995 2.149 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.223 18.668 2.284 1.00 0.00 H new ATOM 0 HG SER A 58 5.365 19.324 1.178 1.00 0.00 H new ATOM 824 N PRO A 59 7.481 15.442 -0.139 1.00 0.00 N ATOM 825 CA PRO A 59 7.091 14.192 -0.797 1.00 0.00 C ATOM 826 C PRO A 59 5.667 13.773 -0.450 1.00 0.00 C ATOM 827 O PRO A 59 5.194 14.008 0.663 1.00 0.00 O ATOM 828 CB PRO A 59 8.096 13.175 -0.251 1.00 0.00 C ATOM 829 CG PRO A 59 8.521 13.732 1.064 1.00 0.00 C ATOM 830 CD PRO A 59 8.492 15.227 0.909 1.00 0.00 C ATOM 0 HA PRO A 59 7.103 14.283 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.641 12.191 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.945 13.057 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.850 13.409 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.520 13.386 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.217 15.722 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.465 15.619 0.615 1.00 0.00 H new ATOM 838 N LEU A 60 4.987 13.151 -1.408 1.00 0.00 N ATOM 839 CA LEU A 60 3.616 12.698 -1.202 1.00 0.00 C ATOM 840 C LEU A 60 3.533 11.730 -0.027 1.00 0.00 C ATOM 841 O LEU A 60 4.409 10.887 0.159 1.00 0.00 O ATOM 842 CB LEU A 60 3.085 12.026 -2.469 1.00 0.00 C ATOM 843 CG LEU A 60 2.451 12.955 -3.507 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.142 14.310 -3.503 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.512 12.327 -4.892 1.00 0.00 C ATOM 0 H LEU A 60 5.363 12.949 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 60 3.002 13.569 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.907 11.491 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.345 11.280 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 60 1.404 13.103 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.678 14.957 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.046 14.764 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.198 14.181 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.057 13.001 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.552 12.149 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.971 11.381 -4.887 1.00 0.00 H new ATOM 857 N ARG A 61 2.471 11.858 0.763 1.00 0.00 N ATOM 858 CA ARG A 61 2.272 10.994 1.921 1.00 0.00 C ATOM 859 C ARG A 61 1.888 9.582 1.486 1.00 0.00 C ATOM 860 O ARG A 61 1.183 9.397 0.494 1.00 0.00 O ATOM 861 CB ARG A 61 1.188 11.569 2.834 1.00 0.00 C ATOM 862 CG ARG A 61 1.043 10.826 4.152 1.00 0.00 C ATOM 863 CD ARG A 61 2.105 11.256 5.153 1.00 0.00 C ATOM 864 NE ARG A 61 1.920 10.618 6.454 1.00 0.00 N ATOM 865 CZ ARG A 61 0.968 10.964 7.314 1.00 0.00 C ATOM 866 NH1 ARG A 61 0.120 11.937 7.012 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.864 10.337 8.478 1.00 0.00 N ATOM 0 H ARG A 61 1.736 12.551 0.622 1.00 0.00 H new ATOM 0 HA ARG A 61 3.212 10.944 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.416 12.615 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.233 11.548 2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.053 11.011 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.120 9.753 3.977 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.092 11.007 4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.074 12.339 5.272 1.00 0.00 H new ATOM 0 HE ARG A 61 2.557 9.866 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.197 12.422 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.610 12.201 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.515 9.588 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.133 10.604 9.137 1.00 0.00 H new ATOM 881 N VAL A 62 2.357 8.589 2.235 1.00 0.00 N ATOM 882 CA VAL A 62 2.062 7.195 1.927 1.00 0.00 C ATOM 883 C VAL A 62 1.127 6.588 2.967 1.00 0.00 C ATOM 884 O VAL A 62 1.033 7.076 4.095 1.00 0.00 O ATOM 885 CB VAL A 62 3.350 6.352 1.859 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.013 4.874 1.722 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.228 6.816 0.707 1.00 0.00 C ATOM 0 H VAL A 62 2.943 8.724 3.059 1.00 0.00 H new ATOM 0 HA VAL A 62 1.574 7.182 0.952 1.00 0.00 H new ATOM 0 HB VAL A 62 3.905 6.489 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.934 4.294 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.425 4.554 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.438 4.715 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.134 6.210 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.684 6.708 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.497 7.862 0.853 1.00 0.00 H new ATOM 897 N THR A 63 0.434 5.521 2.582 1.00 0.00 N ATOM 898 CA THR A 63 -0.495 4.848 3.480 1.00 0.00 C ATOM 899 C THR A 63 -0.310 3.336 3.431 1.00 0.00 C ATOM 900 O THR A 63 -0.416 2.722 2.368 1.00 0.00 O ATOM 901 CB THR A 63 -1.958 5.186 3.132 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.172 6.599 3.238 1.00 0.00 O ATOM 903 CG2 THR A 63 -2.918 4.451 4.055 1.00 0.00 C ATOM 0 H THR A 63 0.499 5.104 1.653 1.00 0.00 H new ATOM 0 HA THR A 63 -0.276 5.206 4.486 1.00 0.00 H new ATOM 0 HB THR A 63 -2.149 4.866 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.103 6.807 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.944 4.706 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.772 3.376 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.727 4.744 5.087 1.00 0.00 H new ATOM 911 N HIS A 64 -0.035 2.740 4.586 1.00 0.00 N ATOM 912 CA HIS A 64 0.164 1.298 4.674 1.00 0.00 C ATOM 913 C HIS A 64 -1.077 0.611 5.237 1.00 0.00 C ATOM 914 O HIS A 64 -1.443 0.822 6.394 1.00 0.00 O ATOM 915 CB HIS A 64 1.377 0.980 5.549 1.00 0.00 C ATOM 916 CG HIS A 64 2.544 1.887 5.304 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.596 1.552 4.478 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.821 3.122 5.782 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.470 2.543 4.459 1.00 0.00 C ATOM 920 NE2 HIS A 64 4.023 3.508 5.242 1.00 0.00 N ATOM 0 H HIS A 64 0.055 3.233 5.474 1.00 0.00 H new ATOM 0 HA HIS A 64 0.343 0.920 3.667 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.087 1.049 6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.684 -0.051 5.370 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.686 0.676 3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.210 3.697 6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.393 2.561 3.898 1.00 0.00 H new ATOM 929 N ILE A 65 -1.720 -0.209 4.412 1.00 0.00 N ATOM 930 CA ILE A 65 -2.919 -0.925 4.829 1.00 0.00 C ATOM 931 C ILE A 65 -2.618 -2.398 5.084 1.00 0.00 C ATOM 932 O ILE A 65 -2.556 -3.201 4.154 1.00 0.00 O ATOM 933 CB ILE A 65 -4.035 -0.816 3.774 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.384 0.652 3.519 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.266 -1.588 4.223 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.866 0.923 2.111 1.00 0.00 C ATOM 0 H ILE A 65 -1.431 -0.394 3.452 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.259 -0.460 5.755 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.677 -1.252 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.155 0.961 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.505 1.266 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.046 -1.501 3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.007 -2.638 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.628 -1.179 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.095 1.983 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.088 0.645 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.763 0.336 1.914 1.00 0.00 H new ATOM 948 N LYS A 66 -2.435 -2.747 6.353 1.00 0.00 N ATOM 949 CA LYS A 66 -2.144 -4.125 6.734 1.00 0.00 C ATOM 950 C LYS A 66 -3.101 -5.092 6.046 1.00 0.00 C ATOM 951 O LYS A 66 -4.306 -5.075 6.299 1.00 0.00 O ATOM 952 CB LYS A 66 -2.240 -4.287 8.253 1.00 0.00 C ATOM 953 CG LYS A 66 -1.039 -3.735 9.001 1.00 0.00 C ATOM 954 CD LYS A 66 -0.786 -4.500 10.290 1.00 0.00 C ATOM 955 CE LYS A 66 -0.015 -3.658 11.294 1.00 0.00 C ATOM 956 NZ LYS A 66 1.450 -3.675 11.023 1.00 0.00 N ATOM 0 H LYS A 66 -2.483 -2.095 7.136 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.128 -4.358 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.140 -3.785 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.351 -5.345 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.156 -3.790 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.203 -2.682 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.737 -4.807 10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.227 -5.410 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.378 -2.631 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.203 -4.031 12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.903 -2.876 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.857 -4.568 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.615 -3.593 9.999 1.00 0.00 H new ATOM 970 N VAL A 67 -2.557 -5.939 5.177 1.00 0.00 N ATOM 971 CA VAL A 67 -3.363 -6.916 4.455 1.00 0.00 C ATOM 972 C VAL A 67 -3.350 -8.267 5.160 1.00 0.00 C ATOM 973 O VAL A 67 -2.305 -8.909 5.275 1.00 0.00 O ATOM 974 CB VAL A 67 -2.862 -7.099 3.010 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.613 -8.229 2.324 1.00 0.00 C ATOM 976 CG2 VAL A 67 -3.006 -5.801 2.229 1.00 0.00 C ATOM 0 H VAL A 67 -1.562 -5.968 4.956 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.382 -6.531 4.432 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.805 -7.363 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.246 -8.344 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.455 -9.157 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.678 -7.998 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.647 -5.948 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.055 -5.505 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.419 -5.019 2.711 1.00 0.00 H new ATOM 986 N MET A 68 -4.517 -8.694 5.631 1.00 0.00 N ATOM 987 CA MET A 68 -4.639 -9.972 6.325 1.00 0.00 C ATOM 988 C MET A 68 -4.926 -11.100 5.338 1.00 0.00 C ATOM 989 O MET A 68 -5.822 -10.993 4.501 1.00 0.00 O ATOM 990 CB MET A 68 -5.750 -9.902 7.374 1.00 0.00 C ATOM 991 CG MET A 68 -5.459 -8.926 8.503 1.00 0.00 C ATOM 992 SD MET A 68 -5.867 -7.224 8.071 1.00 0.00 S ATOM 993 CE MET A 68 -7.440 -7.031 8.905 1.00 0.00 C ATOM 0 H MET A 68 -5.391 -8.175 5.545 1.00 0.00 H new ATOM 0 HA MET A 68 -3.692 -10.180 6.823 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.681 -9.614 6.886 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.905 -10.896 7.794 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.026 -9.219 9.386 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.403 -8.987 8.768 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.686 -5.972 8.977 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.217 -7.546 8.340 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.376 -7.457 9.906 1.00 0.00 H new ATOM 1003 N CYS A 69 -4.160 -12.180 5.443 1.00 0.00 N ATOM 1004 CA CYS A 69 -4.331 -13.329 4.560 1.00 0.00 C ATOM 1005 C CYS A 69 -4.791 -14.553 5.343 1.00 0.00 C ATOM 1006 O CYS A 69 -4.070 -15.058 6.203 1.00 0.00 O ATOM 1007 CB CYS A 69 -3.023 -13.636 3.829 1.00 0.00 C ATOM 1008 SG CYS A 69 -3.120 -15.047 2.703 1.00 0.00 S ATOM 0 H CYS A 69 -3.414 -12.284 6.131 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.098 -13.081 3.827 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.719 -12.754 3.264 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -2.243 -13.826 4.566 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.989 -14.634 1.477 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.996 -15.027 5.040 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.551 -16.191 5.718 1.00 0.00 C ATOM 1016 C GLU A 70 -6.127 -17.480 5.021 1.00 0.00 C ATOM 1017 O GLU A 70 -6.954 -18.346 4.737 1.00 0.00 O ATOM 1018 CB GLU A 70 -8.079 -16.102 5.764 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.598 -15.052 6.733 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.772 -15.591 8.138 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.708 -16.389 8.357 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -7.971 -15.216 9.022 1.00 0.00 O ATOM 0 H GLU A 70 -6.606 -14.622 4.329 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.164 -16.205 6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.452 -15.878 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.483 -17.075 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.907 -14.209 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.554 -14.671 6.373 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.833 -17.600 4.746 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.320 -18.785 4.084 1.00 0.00 C ATOM 1031 C GLY A 71 -5.056 -19.092 2.794 1.00 0.00 C ATOM 1032 O GLY A 71 -5.781 -20.082 2.705 1.00 0.00 O ATOM 0 H GLY A 71 -4.129 -16.897 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.260 -18.648 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.402 -19.638 4.758 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.870 -18.239 1.791 1.00 0.00 N ATOM 1037 CA GLY A 72 -5.530 -18.440 0.514 1.00 0.00 C ATOM 1038 C GLY A 72 -6.296 -17.215 0.058 1.00 0.00 C ATOM 1039 O GLY A 72 -6.426 -16.966 -1.141 1.00 0.00 O ATOM 0 H GLY A 72 -4.274 -17.413 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.786 -18.700 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.215 -19.285 0.591 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.807 -16.448 1.016 1.00 0.00 N ATOM 1044 CA ARG A 73 -7.568 -15.244 0.705 1.00 0.00 C ATOM 1045 C ARG A 73 -6.904 -14.010 1.311 1.00 0.00 C ATOM 1046 O ARG A 73 -5.983 -14.123 2.119 1.00 0.00 O ATOM 1047 CB ARG A 73 -9.001 -15.372 1.225 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.753 -16.561 0.651 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.379 -17.852 1.361 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.476 -18.816 1.358 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.321 -20.107 1.632 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -9.121 -20.585 1.929 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.369 -20.922 1.609 1.00 0.00 N ATOM 0 H ARG A 73 -6.708 -16.639 2.013 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.591 -15.129 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.978 -15.457 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.547 -14.459 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.826 -16.392 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.533 -16.653 -0.413 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.508 -18.293 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.094 -17.631 2.389 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.412 -18.480 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.314 -19.962 1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.005 -21.576 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.294 -20.557 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.249 -21.913 1.819 1.00 0.00 H new ATOM 1067 N TYR A 74 -7.378 -12.835 0.914 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.828 -11.581 1.413 1.00 0.00 C ATOM 1069 C TYR A 74 -7.942 -10.605 1.779 1.00 0.00 C ATOM 1070 O TYR A 74 -8.942 -10.491 1.068 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.905 -10.951 0.370 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.718 -11.816 0.010 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.589 -11.851 0.820 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.725 -12.599 -1.137 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.502 -12.639 0.495 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.643 -13.391 -1.468 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.533 -13.408 -0.649 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.453 -14.195 -0.975 1.00 0.00 O ATOM 0 H TYR A 74 -8.142 -12.725 0.248 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.251 -11.800 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.479 -10.743 -0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.545 -9.993 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.561 -11.252 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.592 -12.588 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.632 -12.653 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.666 -13.994 -2.364 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.645 -13.831 -0.557 1.00 0.00 H new ATOM 1088 N THR A 75 -7.763 -9.900 2.891 1.00 0.00 N ATOM 1089 CA THR A 75 -8.752 -8.933 3.352 1.00 0.00 C ATOM 1090 C THR A 75 -8.081 -7.724 3.993 1.00 0.00 C ATOM 1091 O THR A 75 -6.970 -7.822 4.515 1.00 0.00 O ATOM 1092 CB THR A 75 -9.724 -9.565 4.366 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.740 -8.620 4.724 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.984 -10.019 5.614 1.00 0.00 C ATOM 0 H THR A 75 -6.941 -9.980 3.490 1.00 0.00 H new ATOM 0 HA THR A 75 -9.313 -8.611 2.475 1.00 0.00 H new ATOM 0 HB THR A 75 -10.186 -10.436 3.900 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.180 -8.910 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.691 -10.462 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.231 -10.759 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.498 -9.162 6.081 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.763 -6.583 3.951 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.233 -5.355 4.530 1.00 0.00 C ATOM 1104 C VAL A 76 -9.280 -4.659 5.392 1.00 0.00 C ATOM 1105 O VAL A 76 -10.296 -4.181 4.890 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.755 -4.380 3.437 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.445 -4.861 2.830 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.821 -4.217 2.365 1.00 0.00 C ATOM 0 H VAL A 76 -9.683 -6.484 3.522 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.383 -5.638 5.151 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.581 -3.406 3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.122 -4.161 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.684 -4.921 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.589 -5.846 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.466 -3.525 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.029 -5.185 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.733 -3.824 2.815 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.022 -4.603 6.696 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.950 -3.963 7.609 1.00 0.00 C ATOM 1120 C GLY A 77 -11.391 -4.086 7.152 1.00 0.00 C ATOM 1121 O GLY A 77 -12.097 -3.087 7.024 1.00 0.00 O ATOM 0 H GLY A 77 -8.187 -4.990 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.847 -4.408 8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.691 -2.909 7.705 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.828 -5.317 6.904 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.191 -5.544 6.459 1.00 0.00 C ATOM 1127 C GLY A 78 -13.467 -7.004 6.159 1.00 0.00 C ATOM 1128 O GLY A 78 -12.551 -7.828 6.149 1.00 0.00 O ATOM 0 H GLY A 78 -11.263 -6.161 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.883 -5.197 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.382 -4.950 5.565 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.733 -7.327 5.917 1.00 0.00 N ATOM 1133 CA LEU A 79 -15.128 -8.700 5.618 1.00 0.00 C ATOM 1134 C LEU A 79 -14.740 -9.078 4.192 1.00 0.00 C ATOM 1135 O LEU A 79 -14.681 -10.259 3.849 1.00 0.00 O ATOM 1136 CB LEU A 79 -16.636 -8.870 5.811 1.00 0.00 C ATOM 1137 CG LEU A 79 -17.529 -7.976 4.951 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.850 -8.656 3.628 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -18.809 -7.625 5.696 1.00 0.00 C ATOM 0 H LEU A 79 -15.503 -6.658 5.922 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.603 -9.363 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.893 -9.909 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.871 -8.683 6.859 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.990 -7.052 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.487 -8.005 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.925 -8.856 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -18.369 -9.595 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -19.432 -6.988 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.352 -8.539 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.561 -7.096 6.616 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.476 -8.070 3.367 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.093 -8.299 1.980 1.00 0.00 C ATOM 1153 C GLU A 80 -12.880 -9.222 1.895 1.00 0.00 C ATOM 1154 O GLU A 80 -11.764 -8.834 2.242 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.784 -6.970 1.286 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.009 -6.294 0.696 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.514 -6.990 -0.555 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.959 -6.726 -1.644 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.460 -7.796 -0.445 1.00 0.00 O ATOM 0 H GLU A 80 -14.520 -7.087 3.636 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.931 -8.779 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.317 -6.295 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.058 -7.144 0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.803 -6.274 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.769 -5.258 0.459 1.00 0.00 H new ATOM 1166 N THR A 81 -13.108 -10.449 1.433 1.00 0.00 N ATOM 1167 CA THR A 81 -12.037 -11.428 1.304 1.00 0.00 C ATOM 1168 C THR A 81 -11.848 -11.848 -0.149 1.00 0.00 C ATOM 1169 O THR A 81 -12.614 -12.653 -0.678 1.00 0.00 O ATOM 1170 CB THR A 81 -12.317 -12.680 2.157 1.00 0.00 C ATOM 1171 OG1 THR A 81 -13.721 -12.963 2.167 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.822 -12.486 3.583 1.00 0.00 C ATOM 0 H THR A 81 -14.025 -10.787 1.142 1.00 0.00 H new ATOM 0 HA THR A 81 -11.125 -10.949 1.662 1.00 0.00 H new ATOM 0 HB THR A 81 -11.781 -13.520 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.890 -13.761 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.031 -13.383 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.748 -12.301 3.573 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.332 -11.634 4.033 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.821 -11.298 -0.789 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.531 -11.616 -2.183 1.00 0.00 C ATOM 1182 C PHE A 82 -9.711 -12.898 -2.289 1.00 0.00 C ATOM 1183 O PHE A 82 -9.011 -13.278 -1.351 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.781 -10.459 -2.846 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.396 -9.115 -2.582 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.169 -8.459 -1.384 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.201 -8.509 -3.533 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.734 -7.221 -1.138 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.768 -7.272 -3.292 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.535 -6.627 -2.093 1.00 0.00 C ATOM 0 H PHE A 82 -10.176 -10.631 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.478 -11.769 -2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.750 -10.454 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.746 -10.629 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.544 -8.919 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.387 -9.008 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.549 -6.719 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.393 -6.810 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.978 -5.661 -1.903 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.803 -13.559 -3.437 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.068 -14.798 -3.667 1.00 0.00 C ATOM 1202 C ASP A 83 -7.564 -14.545 -3.674 1.00 0.00 C ATOM 1203 O ASP A 83 -6.792 -15.324 -3.117 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.498 -15.431 -4.992 1.00 0.00 C ATOM 1205 CG ASP A 83 -10.917 -15.962 -4.946 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.733 -15.410 -4.180 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.212 -16.930 -5.678 1.00 0.00 O ATOM 0 H ASP A 83 -10.379 -13.258 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.298 -15.485 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.416 -14.691 -5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.817 -16.245 -5.241 1.00 0.00 H new ATOM 1212 N SER A 84 -7.156 -13.452 -4.310 1.00 0.00 N ATOM 1213 CA SER A 84 -5.744 -13.098 -4.394 1.00 0.00 C ATOM 1214 C SER A 84 -5.563 -11.584 -4.410 1.00 0.00 C ATOM 1215 O SER A 84 -6.529 -10.832 -4.548 1.00 0.00 O ATOM 1216 CB SER A 84 -5.116 -13.712 -5.647 1.00 0.00 C ATOM 1217 OG SER A 84 -4.741 -15.060 -5.423 1.00 0.00 O ATOM 0 H SER A 84 -7.783 -12.796 -4.775 1.00 0.00 H new ATOM 0 HA SER A 84 -5.242 -13.497 -3.512 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.824 -13.661 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.241 -13.132 -5.940 1.00 0.00 H new ATOM 0 HG SER A 84 -5.225 -15.409 -4.645 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.318 -11.142 -4.269 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.007 -9.716 -4.267 1.00 0.00 C ATOM 1225 C LEU A 85 -4.491 -9.052 -5.552 1.00 0.00 C ATOM 1226 O LEU A 85 -4.882 -7.884 -5.552 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.501 -9.502 -4.104 1.00 0.00 C ATOM 1228 CG LEU A 85 -1.989 -9.399 -2.667 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -2.485 -8.119 -2.014 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.422 -10.614 -1.859 1.00 0.00 C ATOM 0 H LEU A 85 -3.507 -11.750 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.525 -9.257 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.982 -10.325 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.225 -8.590 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.900 -9.372 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.111 -8.063 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.126 -7.259 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.575 -8.115 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.049 -10.524 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.510 -10.672 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.017 -11.517 -2.315 1.00 0.00 H new ATOM 1242 N THR A 86 -4.464 -9.805 -6.648 1.00 0.00 N ATOM 1243 CA THR A 86 -4.900 -9.290 -7.940 1.00 0.00 C ATOM 1244 C THR A 86 -6.359 -8.848 -7.891 1.00 0.00 C ATOM 1245 O THR A 86 -6.731 -7.835 -8.484 1.00 0.00 O ATOM 1246 CB THR A 86 -4.731 -10.343 -9.050 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.373 -10.792 -9.096 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.128 -9.772 -10.403 1.00 0.00 C ATOM 0 H THR A 86 -4.145 -10.774 -6.666 1.00 0.00 H new ATOM 0 HA THR A 86 -4.270 -8.430 -8.167 1.00 0.00 H new ATOM 0 HB THR A 86 -5.384 -11.186 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.274 -11.463 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.000 -10.534 -11.171 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.171 -9.458 -10.373 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.497 -8.914 -10.635 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.180 -9.614 -7.182 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.599 -9.300 -7.054 1.00 0.00 C ATOM 1258 C ASP A 87 -8.827 -8.244 -5.979 1.00 0.00 C ATOM 1259 O ASP A 87 -9.705 -7.390 -6.108 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.395 -10.563 -6.724 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.716 -11.385 -7.957 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.752 -11.113 -8.599 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -8.930 -12.299 -8.282 1.00 0.00 O ATOM 0 H ASP A 87 -6.888 -10.457 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.945 -8.901 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.827 -11.173 -6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.323 -10.284 -6.225 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.033 -8.309 -4.915 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.149 -7.358 -3.815 1.00 0.00 C ATOM 1270 C LEU A 88 -7.659 -5.975 -4.235 1.00 0.00 C ATOM 1271 O LEU A 88 -8.161 -4.956 -3.760 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.351 -7.848 -2.606 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.156 -6.836 -1.475 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.968 -7.550 -0.146 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.967 -5.932 -1.769 1.00 0.00 C ATOM 0 H LEU A 88 -7.303 -9.010 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.202 -7.282 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.851 -8.727 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.369 -8.171 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.051 -6.217 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.831 -6.814 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.848 -8.155 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.090 -8.193 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.842 -5.218 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.065 -6.536 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.141 -5.393 -2.700 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.678 -5.949 -5.131 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.122 -4.692 -5.618 1.00 0.00 C ATOM 1289 C VAL A 89 -6.942 -4.143 -6.781 1.00 0.00 C ATOM 1290 O VAL A 89 -7.255 -2.953 -6.826 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.660 -4.862 -6.071 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.160 -3.597 -6.750 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.776 -5.228 -4.888 1.00 0.00 C ATOM 0 H VAL A 89 -6.252 -6.783 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.157 -3.988 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.614 -5.675 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.125 -3.737 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.777 -3.384 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.218 -2.762 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.746 -5.344 -5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.825 -4.438 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.123 -6.164 -4.451 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.287 -5.018 -7.720 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.070 -4.620 -8.884 1.00 0.00 C ATOM 1305 C GLU A 90 -9.404 -4.012 -8.460 1.00 0.00 C ATOM 1306 O GLU A 90 -9.851 -3.013 -9.024 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.313 -5.822 -9.798 1.00 0.00 C ATOM 1308 CG GLU A 90 -9.320 -6.815 -9.243 1.00 0.00 C ATOM 1309 CD GLU A 90 -10.755 -6.398 -9.502 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -11.060 -6.000 -10.646 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -11.573 -6.471 -8.561 1.00 0.00 O ATOM 0 H GLU A 90 -7.037 -6.007 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.504 -3.866 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.663 -5.466 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.366 -6.335 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.144 -7.793 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.165 -6.922 -8.169 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.035 -4.622 -7.462 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.318 -4.140 -6.961 1.00 0.00 C ATOM 1320 C HIS A 91 -11.198 -2.710 -6.446 1.00 0.00 C ATOM 1321 O HIS A 91 -12.067 -1.875 -6.695 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.830 -5.056 -5.849 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.182 -4.670 -5.332 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.393 -4.198 -4.053 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.397 -4.688 -5.929 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.678 -3.943 -3.886 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.309 -4.231 -5.011 1.00 0.00 N ATOM 0 H HIS A 91 -9.680 -5.450 -6.984 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.030 -4.150 -7.786 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.871 -6.079 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.118 -5.046 -5.024 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.609 -5.003 -6.940 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.135 -3.564 -2.984 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.311 -4.130 -5.171 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.115 -2.435 -5.725 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.883 -1.106 -5.172 1.00 0.00 C ATOM 1338 C PHE A 92 -9.423 -0.138 -6.258 1.00 0.00 C ATOM 1339 O PHE A 92 -9.673 1.065 -6.182 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.838 -1.170 -4.056 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.299 -1.934 -2.848 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.568 -1.738 -2.329 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.461 -2.850 -2.230 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.995 -2.440 -1.218 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -8.883 -3.556 -1.120 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.151 -3.350 -0.611 1.00 0.00 C ATOM 0 H PHE A 92 -9.385 -3.115 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.824 -0.742 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.931 -1.633 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.575 -0.156 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.232 -1.028 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.468 -3.013 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.988 -2.277 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.222 -4.269 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.481 -3.899 0.259 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.747 -0.671 -7.271 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.252 0.143 -8.374 1.00 0.00 C ATOM 1358 C LYS A 93 -9.400 0.849 -9.088 1.00 0.00 C ATOM 1359 O LYS A 93 -9.204 1.874 -9.740 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.477 -0.726 -9.368 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.050 -1.016 -8.939 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.353 -1.950 -9.914 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.901 -1.214 -11.165 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.754 -0.305 -10.889 1.00 0.00 N ATOM 0 H LYS A 93 -8.530 -1.664 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.584 0.899 -7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.006 -1.670 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.462 -0.229 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.493 -0.081 -8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.052 -1.462 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.491 -2.407 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.029 -2.759 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.616 -1.937 -11.929 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.733 -0.637 -11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.058 0.683 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.422 -0.451 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.980 -0.511 -11.553 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.601 0.295 -8.958 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.783 0.873 -9.587 1.00 0.00 C ATOM 1380 C LYS A 94 -12.644 1.603 -8.562 1.00 0.00 C ATOM 1381 O LYS A 94 -13.080 2.731 -8.792 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.606 -0.219 -10.275 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.939 -1.390 -9.367 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.652 -2.499 -10.125 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.668 -3.378 -10.882 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.362 -4.347 -11.773 1.00 0.00 N ATOM 0 H LYS A 94 -10.781 -0.554 -8.422 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.450 1.594 -10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.533 0.216 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.056 -0.586 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.022 -1.781 -8.925 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.568 -1.047 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.224 -3.109 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.365 -2.063 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.003 -2.751 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.044 -3.920 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.875 -5.265 -11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.346 -4.464 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.350 -3.990 -12.750 1.00 0.00 H new ATOM 1400 N THR A 95 -12.884 0.953 -7.427 1.00 0.00 N ATOM 1401 CA THR A 95 -13.693 1.541 -6.366 1.00 0.00 C ATOM 1402 C THR A 95 -12.844 2.415 -5.449 1.00 0.00 C ATOM 1403 O THR A 95 -13.228 3.533 -5.111 1.00 0.00 O ATOM 1404 CB THR A 95 -14.388 0.456 -5.523 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.410 -0.336 -4.839 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.249 -0.441 -6.399 1.00 0.00 C ATOM 0 H THR A 95 -12.530 0.019 -7.219 1.00 0.00 H new ATOM 0 HA THR A 95 -14.452 2.156 -6.850 1.00 0.00 H new ATOM 0 HB THR A 95 -15.029 0.951 -4.794 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.915 -0.878 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.730 -1.200 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.011 0.159 -6.896 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.624 -0.926 -7.148 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.687 1.896 -5.048 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.802 2.644 -4.174 1.00 0.00 C ATOM 1416 C GLY A 96 -10.938 2.231 -2.721 1.00 0.00 C ATOM 1417 O GLY A 96 -11.954 1.661 -2.324 1.00 0.00 O ATOM 0 H GLY A 96 -11.347 0.971 -5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.771 2.498 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.018 3.708 -4.268 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.911 2.517 -1.929 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.921 2.172 -0.513 1.00 0.00 C ATOM 1423 C ILE A 97 -10.311 3.371 0.344 1.00 0.00 C ATOM 1424 O ILE A 97 -9.892 4.498 0.078 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.547 1.650 -0.051 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.056 0.544 -0.987 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.627 1.143 1.381 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.592 0.209 -0.811 1.00 0.00 C ATOM 0 H ILE A 97 -9.062 2.986 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.662 1.383 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.832 2.472 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.649 -0.355 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.229 0.849 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.649 0.778 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.937 1.956 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.353 0.332 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.314 -0.583 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.989 1.095 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.416 -0.127 0.211 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.113 3.120 1.373 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.557 4.182 2.270 1.00 0.00 C ATOM 1442 C GLU A 98 -11.040 3.949 3.687 1.00 0.00 C ATOM 1443 O GLU A 98 -11.386 2.958 4.330 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.086 4.264 2.280 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.627 5.439 3.076 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.134 5.391 3.235 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.835 5.244 2.213 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.612 5.501 4.384 1.00 0.00 O ATOM 0 H GLU A 98 -11.469 2.193 1.607 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.151 5.125 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.444 4.336 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.488 3.339 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.162 5.451 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.347 6.369 2.580 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.211 4.870 4.166 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.644 4.765 5.505 1.00 0.00 C ATOM 1457 C GLU A 99 -10.701 5.057 6.568 1.00 0.00 C ATOM 1458 O GLU A 99 -11.587 5.886 6.364 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.467 5.730 5.664 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.135 5.142 5.229 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.028 6.176 5.183 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.623 6.660 6.261 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.565 6.501 4.070 1.00 0.00 O ATOM 0 H GLU A 99 -9.917 5.697 3.647 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.288 3.744 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.665 6.630 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.396 6.035 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.853 4.344 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.246 4.690 4.243 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.599 4.368 7.700 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.545 4.554 8.793 1.00 0.00 C ATOM 1472 C ALA A 100 -11.858 6.032 9.004 1.00 0.00 C ATOM 1473 O ALA A 100 -12.970 6.390 9.390 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.996 3.941 10.074 1.00 0.00 C ATOM 0 H ALA A 100 -9.872 3.677 7.884 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.473 4.048 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.712 4.087 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.829 2.874 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.053 4.423 10.333 1.00 0.00 H new ATOM 1480 N SER A 101 -10.870 6.883 8.747 1.00 0.00 N ATOM 1481 CA SER A 101 -11.041 8.323 8.912 1.00 0.00 C ATOM 1482 C SER A 101 -11.900 8.900 7.791 1.00 0.00 C ATOM 1483 O SER A 101 -12.761 9.747 8.028 1.00 0.00 O ATOM 1484 CB SER A 101 -9.678 9.018 8.936 1.00 0.00 C ATOM 1485 OG SER A 101 -9.759 10.274 9.589 1.00 0.00 O ATOM 0 H SER A 101 -9.944 6.602 8.424 1.00 0.00 H new ATOM 0 HA SER A 101 -11.548 8.499 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.952 8.385 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.319 9.157 7.916 1.00 0.00 H new ATOM 0 HG SER A 101 -8.876 10.698 9.593 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.659 8.436 6.569 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.417 8.917 5.430 1.00 0.00 C ATOM 1493 C GLY A 102 -11.580 9.001 4.169 1.00 0.00 C ATOM 1494 O GLY A 102 -12.101 8.884 3.061 1.00 0.00 O ATOM 0 H GLY A 102 -10.952 7.735 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.265 8.254 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.824 9.902 5.658 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.278 9.207 4.338 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.366 9.307 3.205 1.00 0.00 C ATOM 1500 C ALA A 103 -9.664 8.231 2.166 1.00 0.00 C ATOM 1501 O ALA A 103 -10.002 7.098 2.509 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.924 9.203 3.678 1.00 0.00 C ATOM 0 H ALA A 103 -9.831 9.308 5.249 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.513 10.280 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.254 9.279 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.712 10.011 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.772 8.244 4.174 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.536 8.593 0.893 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.792 7.659 -0.196 1.00 0.00 C ATOM 1510 C PHE A 104 -8.531 7.429 -1.024 1.00 0.00 C ATOM 1511 O PHE A 104 -8.097 8.305 -1.772 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.915 8.184 -1.093 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.285 7.749 -0.655 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.785 6.513 -1.029 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.071 8.577 0.129 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.045 6.111 -0.628 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.332 8.181 0.533 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.819 6.945 0.155 1.00 0.00 C ATOM 0 H PHE A 104 -9.257 9.526 0.591 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.098 6.708 0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.876 9.273 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.743 7.843 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.184 5.856 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.694 9.544 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.424 5.145 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.935 8.837 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.803 6.631 0.471 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.946 6.243 -0.883 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.734 5.897 -1.617 1.00 0.00 C ATOM 1530 C VAL A 105 -7.068 5.331 -2.993 1.00 0.00 C ATOM 1531 O VAL A 105 -7.866 4.403 -3.117 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.884 4.871 -0.845 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.481 4.794 -1.426 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.839 5.222 0.634 1.00 0.00 C ATOM 0 H VAL A 105 -8.292 5.506 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.161 6.817 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.348 3.890 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.895 4.064 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.536 4.491 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.004 5.772 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.234 4.486 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.400 6.212 0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.851 5.220 1.039 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.452 5.898 -4.025 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.685 5.452 -5.393 1.00 0.00 C ATOM 1546 C TYR A 106 -5.441 4.781 -5.967 1.00 0.00 C ATOM 1547 O TYR A 106 -4.358 5.367 -5.986 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.093 6.634 -6.275 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.235 7.447 -5.708 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.309 6.829 -5.080 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.238 8.834 -5.798 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.355 7.568 -4.562 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.279 9.581 -5.281 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.335 8.944 -4.664 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.373 9.683 -4.147 1.00 0.00 O ATOM 0 H TYR A 106 -5.788 6.667 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.495 4.722 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.230 7.285 -6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.377 6.261 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.327 5.752 -4.995 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.413 9.336 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.184 7.071 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.266 10.658 -5.360 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.204 10.636 -4.301 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.605 3.548 -6.433 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.495 2.795 -7.009 1.00 0.00 C ATOM 1567 C LEU A 107 -4.600 2.750 -8.530 1.00 0.00 C ATOM 1568 O LEU A 107 -5.505 2.124 -9.081 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.472 1.373 -6.445 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.841 1.230 -4.968 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.336 1.007 -4.811 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.058 0.092 -4.331 1.00 0.00 C ATOM 0 H LEU A 107 -6.494 3.048 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.567 3.300 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.157 0.760 -7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.473 0.962 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.578 2.155 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.580 0.907 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.876 1.856 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.625 0.097 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.333 0.005 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.289 -0.841 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.990 0.296 -4.411 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.667 3.415 -9.203 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.653 3.449 -10.660 1.00 0.00 C ATOM 1586 C ARG A 108 -2.271 3.090 -11.200 1.00 0.00 C ATOM 1587 O ARG A 108 -2.146 2.525 -12.285 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.064 4.834 -11.163 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.225 5.442 -10.391 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.664 6.766 -10.998 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.193 6.599 -12.349 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.998 7.477 -12.936 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.365 8.578 -12.295 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -7.438 7.255 -14.168 1.00 0.00 N ATOM 0 H ARG A 108 -2.910 3.938 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.369 2.711 -11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.206 5.504 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.336 4.763 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.064 4.747 -10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.932 5.596 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.425 7.221 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.818 7.452 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.930 5.763 -12.870 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.029 8.753 -11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.983 9.250 -12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.158 6.409 -14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.056 7.930 -14.618 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.237 3.424 -10.433 1.00 0.00 N ATOM 1609 CA GLN A 109 0.134 3.138 -10.836 1.00 0.00 C ATOM 1610 C GLN A 109 0.714 1.991 -10.013 1.00 0.00 C ATOM 1611 O GLN A 109 1.178 2.174 -8.888 1.00 0.00 O ATOM 1612 CB GLN A 109 1.005 4.385 -10.678 1.00 0.00 C ATOM 1613 CG GLN A 109 1.057 5.253 -11.925 1.00 0.00 C ATOM 1614 CD GLN A 109 1.241 6.723 -11.606 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.097 7.393 -12.185 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.437 7.234 -10.681 1.00 0.00 N ATOM 0 H GLN A 109 -1.323 3.892 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 109 0.124 2.841 -11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.626 4.980 -9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.018 4.080 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.876 4.918 -12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.136 5.121 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.258 6.642 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.515 8.218 -10.425 1.00 0.00 H new ATOM 1625 N PRO A 110 0.689 0.779 -10.588 1.00 0.00 N ATOM 1626 CA PRO A 110 1.209 -0.421 -9.926 1.00 0.00 C ATOM 1627 C PRO A 110 2.729 -0.403 -9.803 1.00 0.00 C ATOM 1628 O PRO A 110 3.440 -0.858 -10.700 1.00 0.00 O ATOM 1629 CB PRO A 110 0.760 -1.557 -10.849 1.00 0.00 C ATOM 1630 CG PRO A 110 0.610 -0.921 -12.188 1.00 0.00 C ATOM 1631 CD PRO A 110 0.152 0.487 -11.927 1.00 0.00 C ATOM 0 HA PRO A 110 0.843 -0.514 -8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.495 -2.361 -10.873 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.180 -1.994 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.554 -0.930 -12.732 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.115 -1.461 -12.798 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.538 1.180 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.935 0.567 -11.950 1.00 0.00 H new ATOM 1639 N TYR A 111 3.222 0.124 -8.688 1.00 0.00 N ATOM 1640 CA TYR A 111 4.657 0.202 -8.448 1.00 0.00 C ATOM 1641 C TYR A 111 5.330 -1.138 -8.726 1.00 0.00 C ATOM 1642 O TYR A 111 4.987 -2.154 -8.121 1.00 0.00 O ATOM 1643 CB TYR A 111 4.933 0.636 -7.008 1.00 0.00 C ATOM 1644 CG TYR A 111 6.244 1.369 -6.837 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.536 2.496 -7.594 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.191 0.934 -5.917 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.733 3.169 -7.441 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.389 1.602 -5.755 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.656 2.719 -6.521 1.00 0.00 C ATOM 1650 OH TYR A 111 9.849 3.385 -6.365 1.00 0.00 O ATOM 0 H TYR A 111 2.648 0.504 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 111 5.073 0.945 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.120 1.278 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.932 -0.245 -6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.815 2.853 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.986 0.059 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.945 4.043 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.113 1.253 -5.033 1.00 0.00 H new ATOM 0 HH TYR A 111 9.722 4.335 -6.569 1.00 0.00 H new ATOM 1660 N TYR A 112 6.290 -1.132 -9.644 1.00 0.00 N ATOM 1661 CA TYR A 112 7.011 -2.347 -10.003 1.00 0.00 C ATOM 1662 C TYR A 112 8.230 -2.543 -9.108 1.00 0.00 C ATOM 1663 O TYR A 112 8.709 -1.600 -8.476 1.00 0.00 O ATOM 1664 CB TYR A 112 7.445 -2.293 -11.469 1.00 0.00 C ATOM 1665 CG TYR A 112 6.360 -1.808 -12.404 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.107 -2.408 -12.417 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.588 -0.749 -13.275 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.113 -1.968 -13.269 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.600 -0.303 -14.130 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.364 -0.915 -14.124 1.00 0.00 C ATOM 1671 OH TYR A 112 3.378 -0.473 -14.975 1.00 0.00 O ATOM 0 H TYR A 112 6.587 -0.299 -10.153 1.00 0.00 H new ATOM 0 HA TYR A 112 6.339 -3.193 -9.860 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.311 -1.637 -11.559 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.765 -3.287 -11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.907 -3.233 -11.749 1.00 0.00 H new ATOM 0 HD2 TYR A 112 7.554 -0.267 -13.283 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.144 -2.446 -13.266 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.794 0.521 -14.800 1.00 0.00 H new ATOM 0 HH TYR A 112 3.718 0.276 -15.509 1.00 0.00 H new ATOM 1681 N SER A 113 8.729 -3.775 -9.058 1.00 0.00 N ATOM 1682 CA SER A 113 9.891 -4.096 -8.238 1.00 0.00 C ATOM 1683 C SER A 113 11.132 -3.365 -8.742 1.00 0.00 C ATOM 1684 O SER A 113 11.731 -3.755 -9.743 1.00 0.00 O ATOM 1685 CB SER A 113 10.139 -5.606 -8.237 1.00 0.00 C ATOM 1686 OG SER A 113 11.233 -5.943 -7.403 1.00 0.00 O ATOM 0 H SER A 113 8.346 -4.566 -9.576 1.00 0.00 H new ATOM 0 HA SER A 113 9.687 -3.767 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.243 -6.124 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.335 -5.946 -9.254 1.00 0.00 H new ATOM 0 HG SER A 113 11.370 -6.913 -7.419 1.00 0.00 H new ATOM 1692 N GLY A 114 11.510 -2.302 -8.040 1.00 0.00 N ATOM 1693 CA GLY A 114 12.677 -1.532 -8.431 1.00 0.00 C ATOM 1694 C GLY A 114 13.803 -2.407 -8.945 1.00 0.00 C ATOM 1695 O GLY A 114 14.467 -3.112 -8.184 1.00 0.00 O ATOM 0 H GLY A 114 11.030 -1.960 -7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.395 -0.817 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.031 -0.955 -7.577 1.00 0.00 H new ATOM 1699 N PRO A 115 14.031 -2.369 -10.266 1.00 0.00 N ATOM 1700 CA PRO A 115 15.084 -3.160 -10.911 1.00 0.00 C ATOM 1701 C PRO A 115 16.481 -2.663 -10.556 1.00 0.00 C ATOM 1702 O PRO A 115 17.481 -3.285 -10.916 1.00 0.00 O ATOM 1703 CB PRO A 115 14.810 -2.965 -12.405 1.00 0.00 C ATOM 1704 CG PRO A 115 14.095 -1.662 -12.491 1.00 0.00 C ATOM 1705 CD PRO A 115 13.279 -1.552 -11.232 1.00 0.00 C ATOM 0 HA PRO A 115 15.064 -4.202 -10.593 1.00 0.00 H new ATOM 0 HB2 PRO A 115 15.737 -2.947 -12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 115 14.203 -3.777 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.800 -0.835 -12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.457 -1.625 -13.374 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.190 -0.518 -10.900 1.00 0.00 H new ATOM 0 HD3 PRO A 115 12.266 -1.929 -11.375 1.00 0.00 H new ATOM 1713 N SER A 116 16.543 -1.540 -9.849 1.00 0.00 N ATOM 1714 CA SER A 116 17.818 -0.958 -9.448 1.00 0.00 C ATOM 1715 C SER A 116 18.521 -0.315 -10.641 1.00 0.00 C ATOM 1716 O SER A 116 19.708 -0.543 -10.873 1.00 0.00 O ATOM 1717 CB SER A 116 18.719 -2.028 -8.827 1.00 0.00 C ATOM 1718 OG SER A 116 17.984 -2.869 -7.955 1.00 0.00 O ATOM 0 H SER A 116 15.725 -1.014 -9.542 1.00 0.00 H new ATOM 0 HA SER A 116 17.619 -0.185 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.175 -2.626 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 116 19.531 -1.551 -8.279 1.00 0.00 H new ATOM 0 HG SER A 116 18.581 -3.545 -7.572 1.00 0.00 H new ATOM 1724 N SER A 117 17.777 0.488 -11.395 1.00 0.00 N ATOM 1725 CA SER A 117 18.326 1.161 -12.566 1.00 0.00 C ATOM 1726 C SER A 117 18.629 2.625 -12.260 1.00 0.00 C ATOM 1727 O SER A 117 17.772 3.494 -12.421 1.00 0.00 O ATOM 1728 CB SER A 117 17.350 1.065 -13.740 1.00 0.00 C ATOM 1729 OG SER A 117 16.070 1.556 -13.380 1.00 0.00 O ATOM 0 H SER A 117 16.793 0.688 -11.216 1.00 0.00 H new ATOM 0 HA SER A 117 19.258 0.664 -12.836 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.736 1.634 -14.586 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.267 0.028 -14.064 1.00 0.00 H new ATOM 0 HG SER A 117 16.163 2.440 -12.968 1.00 0.00 H new ATOM 1735 N GLY A 118 19.854 2.890 -11.817 1.00 0.00 N ATOM 1736 CA GLY A 118 20.249 4.248 -11.495 1.00 0.00 C ATOM 1737 C GLY A 118 21.394 4.299 -10.502 1.00 0.00 C ATOM 1738 O GLY A 118 21.705 3.276 -9.894 1.00 0.00 O ATOM 0 H GLY A 118 20.580 2.188 -11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 118 20.542 4.764 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 118 19.393 4.785 -11.086 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N ALA B 1 17.309 14.302 15.497 1.00 0.00 N ATOM 1744 CA ALA B 1 16.552 13.102 15.829 1.00 0.00 C ATOM 1745 C ALA B 1 15.829 12.553 14.603 1.00 0.00 C ATOM 1746 O ALA B 1 15.348 13.311 13.761 1.00 0.00 O ATOM 1747 CB ALA B 1 15.557 13.397 16.942 1.00 0.00 C ATOM 0 H1 ALA B 1 17.150 15.026 16.227 1.00 0.00 H new ATOM 0 H2 ALA B 1 18.322 14.072 15.452 1.00 0.00 H new ATOM 0 H3 ALA B 1 16.996 14.666 14.575 1.00 0.00 H new ATOM 0 HA ALA B 1 17.254 12.343 16.175 1.00 0.00 H new ATOM 0 HB1 ALA B 1 14.998 12.492 17.180 1.00 0.00 H new ATOM 0 HB2 ALA B 1 16.093 13.736 17.829 1.00 0.00 H new ATOM 0 HB3 ALA B 1 14.866 14.175 16.616 1.00 0.00 H new ATOM 1753 N THR B 2 15.757 11.228 14.509 1.00 0.00 N ATOM 1754 CA THR B 2 15.095 10.577 13.386 1.00 0.00 C ATOM 1755 C THR B 2 13.995 9.639 13.865 1.00 0.00 C ATOM 1756 O THR B 2 12.851 9.729 13.419 1.00 0.00 O ATOM 1757 CB THR B 2 16.097 9.781 12.529 1.00 0.00 C ATOM 1758 OG1 THR B 2 17.183 10.626 12.131 1.00 0.00 O ATOM 1759 CG2 THR B 2 15.417 9.206 11.295 1.00 0.00 C ATOM 0 H THR B 2 16.149 10.586 15.197 1.00 0.00 H new ATOM 0 HA THR B 2 14.655 11.367 12.777 1.00 0.00 H new ATOM 0 HB THR B 2 16.481 8.957 13.131 1.00 0.00 H new ATOM 0 HG1 THR B 2 17.816 10.111 11.588 1.00 0.00 H new ATOM 0 HG21 THR B 2 16.144 8.648 10.705 1.00 0.00 H new ATOM 0 HG22 THR B 2 14.611 8.540 11.601 1.00 0.00 H new ATOM 0 HG23 THR B 2 15.008 10.018 10.693 1.00 0.00 H new ATOM 1767 N GLU B 3 14.348 8.737 14.777 1.00 0.00 N ATOM 1768 CA GLU B 3 13.387 7.781 15.316 1.00 0.00 C ATOM 1769 C GLU B 3 12.433 7.296 14.228 1.00 0.00 C ATOM 1770 O GLU B 3 11.232 7.162 14.459 1.00 0.00 O ATOM 1771 CB GLU B 3 12.594 8.413 16.461 1.00 0.00 C ATOM 1772 CG GLU B 3 13.268 8.276 17.816 1.00 0.00 C ATOM 1773 CD GLU B 3 14.584 9.025 17.892 1.00 0.00 C ATOM 1774 OE1 GLU B 3 15.530 8.636 17.175 1.00 0.00 O ATOM 1775 OE2 GLU B 3 14.669 10.001 18.666 1.00 0.00 O ATOM 0 H GLU B 3 15.290 8.649 15.157 1.00 0.00 H new ATOM 0 HA GLU B 3 13.941 6.923 15.697 1.00 0.00 H new ATOM 0 HB2 GLU B 3 12.441 9.471 16.246 1.00 0.00 H new ATOM 0 HB3 GLU B 3 11.608 7.951 16.507 1.00 0.00 H new ATOM 0 HG2 GLU B 3 12.597 8.648 18.590 1.00 0.00 H new ATOM 0 HG3 GLU B 3 13.442 7.221 18.026 1.00 0.00 H new ATOM 1782 N GLN B 4 12.978 7.037 13.044 1.00 0.00 N ATOM 1783 CA GLN B 4 12.174 6.568 11.920 1.00 0.00 C ATOM 1784 C GLN B 4 11.192 5.489 12.366 1.00 0.00 C ATOM 1785 O GLN B 4 11.562 4.557 13.080 1.00 0.00 O ATOM 1786 CB GLN B 4 13.077 6.026 10.812 1.00 0.00 C ATOM 1787 CG GLN B 4 13.753 4.711 11.166 1.00 0.00 C ATOM 1788 CD GLN B 4 14.771 4.279 10.129 1.00 0.00 C ATOM 1789 OE1 GLN B 4 15.957 4.136 10.426 1.00 0.00 O ATOM 1790 NE2 GLN B 4 14.312 4.069 8.900 1.00 0.00 N ATOM 0 H GLN B 4 13.971 7.144 12.838 1.00 0.00 H new ATOM 0 HA GLN B 4 11.605 7.414 11.534 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.485 5.888 9.907 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.842 6.768 10.583 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.245 4.809 12.134 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.995 3.934 11.271 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.321 4.199 8.697 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.951 3.778 8.160 1.00 0.00 H new ATOM 1799 N GLU B 5 9.940 5.622 11.939 1.00 0.00 N ATOM 1800 CA GLU B 5 8.906 4.659 12.297 1.00 0.00 C ATOM 1801 C GLU B 5 7.612 4.943 11.538 1.00 0.00 C ATOM 1802 O GLU B 5 7.010 6.006 11.693 1.00 0.00 O ATOM 1803 CB GLU B 5 8.644 4.693 13.804 1.00 0.00 C ATOM 1804 CG GLU B 5 7.594 3.694 14.261 1.00 0.00 C ATOM 1805 CD GLU B 5 6.962 4.078 15.585 1.00 0.00 C ATOM 1806 OE1 GLU B 5 5.957 4.819 15.570 1.00 0.00 O ATOM 1807 OE2 GLU B 5 7.473 3.639 16.637 1.00 0.00 O ATOM 0 H GLU B 5 9.618 6.386 11.345 1.00 0.00 H new ATOM 0 HA GLU B 5 9.260 3.666 12.020 1.00 0.00 H new ATOM 0 HB2 GLU B 5 9.577 4.494 14.331 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.326 5.697 14.087 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.817 3.616 13.501 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.051 2.709 14.353 1.00 0.00 H new ATOM 1814 N ILE B 6 7.193 3.986 10.718 1.00 0.00 N ATOM 1815 CA ILE B 6 5.972 4.133 9.935 1.00 0.00 C ATOM 1816 C ILE B 6 4.743 3.756 10.757 1.00 0.00 C ATOM 1817 O ILE B 6 4.858 3.164 11.831 1.00 0.00 O ATOM 1818 CB ILE B 6 6.011 3.266 8.663 1.00 0.00 C ATOM 1819 CG1 ILE B 6 6.005 1.781 9.031 1.00 0.00 C ATOM 1820 CG2 ILE B 6 7.236 3.605 7.828 1.00 0.00 C ATOM 1821 CD1 ILE B 6 5.305 0.908 8.012 1.00 0.00 C ATOM 0 H ILE B 6 7.680 3.101 10.578 1.00 0.00 H new ATOM 0 HA ILE B 6 5.906 5.182 9.647 1.00 0.00 H new ATOM 0 HB ILE B 6 5.121 3.478 8.070 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.034 1.439 9.145 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.519 1.657 9.999 1.00 0.00 H new ATOM 0 HG21 ILE B 6 7.249 2.984 6.932 1.00 0.00 H new ATOM 0 HG22 ILE B 6 7.201 4.656 7.540 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.137 3.419 8.412 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.340 -0.131 8.338 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.266 1.223 7.915 1.00 0.00 H new ATOM 0 HD13 ILE B 6 5.804 1.002 7.048 1.00 0.00 H new ATOM 1833 N THR B 7 3.566 4.102 10.245 1.00 0.00 N ATOM 1834 CA THR B 7 2.316 3.799 10.930 1.00 0.00 C ATOM 1835 C THR B 7 1.239 3.365 9.942 1.00 0.00 C ATOM 1836 O THR B 7 0.842 4.132 9.065 1.00 0.00 O ATOM 1837 CB THR B 7 1.805 5.014 11.729 1.00 0.00 C ATOM 1838 OG1 THR B 7 2.791 5.422 12.683 1.00 0.00 O ATOM 1839 CG2 THR B 7 0.504 4.681 12.444 1.00 0.00 C ATOM 0 H THR B 7 3.453 4.592 9.358 1.00 0.00 H new ATOM 0 HA THR B 7 2.523 2.981 11.620 1.00 0.00 H new ATOM 0 HB THR B 7 1.618 5.830 11.031 1.00 0.00 H new ATOM 0 HG1 THR B 7 2.460 6.195 13.186 1.00 0.00 H new ATOM 0 HG21 THR B 7 0.162 5.553 13.002 1.00 0.00 H new ATOM 0 HG22 THR B 7 -0.252 4.399 11.711 1.00 0.00 H new ATOM 0 HG23 THR B 7 0.669 3.852 13.132 1.00 0.00 H new HETATM 1847 N PTR B 8 0.770 2.132 10.092 1.00 0.00 N HETATM 1848 CA PTR B 8 -0.261 1.595 9.212 1.00 0.00 C HETATM 1849 C PTR B 8 -1.597 2.292 9.448 1.00 0.00 C HETATM 1850 O PTR B 8 -1.905 2.705 10.565 1.00 0.00 O HETATM 1851 CB PTR B 8 -0.414 0.089 9.431 1.00 0.00 C HETATM 1852 CG PTR B 8 0.781 -0.716 8.971 1.00 0.00 C HETATM 1853 CD1 PTR B 8 1.970 -0.701 9.688 1.00 0.00 C HETATM 1854 CD2 PTR B 8 0.722 -1.488 7.817 1.00 0.00 C HETATM 1855 CE1 PTR B 8 3.066 -1.432 9.272 1.00 0.00 C HETATM 1856 CE2 PTR B 8 1.812 -2.224 7.394 1.00 0.00 C HETATM 1857 CZ PTR B 8 2.981 -2.192 8.124 1.00 0.00 C HETATM 1858 OH PTR B 8 4.069 -2.924 7.705 1.00 0.00 O HETATM 1859 P PTR B 8 4.831 -4.023 8.583 1.00 0.00 P HETATM 1860 O1P PTR B 8 5.700 -3.360 9.580 1.00 0.00 O HETATM 1861 O2P PTR B 8 3.848 -4.873 9.293 1.00 0.00 O HETATM 1862 O3P PTR B 8 5.666 -4.878 7.712 1.00 0.00 O HETATM 0 HE2 PTR B 8 1.748 -2.827 6.488 1.00 0.00 H new HETATM 0 HE1 PTR B 8 3.992 -1.408 9.847 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -0.200 -1.513 7.236 1.00 0.00 H new HETATM 0 HD1 PTR B 8 2.040 -0.102 10.596 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.582 -0.100 10.491 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.301 -0.258 8.901 1.00 0.00 H new HETATM 0 HA PTR B 8 0.046 1.777 8.182 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.387 2.418 8.387 1.00 0.00 N ATOM 1872 CA ALA B 9 -3.691 3.063 8.478 1.00 0.00 C ATOM 1873 C ALA B 9 -4.792 2.041 8.739 1.00 0.00 C ATOM 1874 O ALA B 9 -4.594 0.841 8.550 1.00 0.00 O ATOM 1875 CB ALA B 9 -3.984 3.842 7.203 1.00 0.00 C ATOM 0 H ALA B 9 -2.147 2.082 7.454 1.00 0.00 H new ATOM 0 HA ALA B 9 -3.668 3.757 9.319 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.961 4.319 7.284 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.219 4.605 7.059 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.982 3.161 6.352 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.950 2.525 9.175 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.082 1.651 9.465 1.00 0.00 C ATOM 1883 C GLU B 10 -8.187 1.832 8.428 1.00 0.00 C ATOM 1884 O GLU B 10 -8.267 2.864 7.762 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.629 1.935 10.865 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.684 3.414 11.208 1.00 0.00 C ATOM 1887 CD GLU B 10 -6.320 3.986 11.545 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -5.791 3.665 12.630 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -5.780 4.755 10.721 1.00 0.00 O ATOM 0 H GLU B 10 -6.130 3.516 9.335 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.733 0.619 9.423 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -8.631 1.514 10.947 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.007 1.423 11.600 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -8.106 3.963 10.366 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.355 3.562 12.054 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.038 0.820 8.298 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.140 0.865 7.343 1.00 0.00 C ATOM 1898 C LEU B 11 -11.478 0.659 8.045 1.00 0.00 C ATOM 1899 O LEU B 11 -11.529 0.190 9.181 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.949 -0.201 6.263 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.754 -0.003 5.328 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -8.446 -1.289 4.578 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -9.022 1.134 4.354 1.00 0.00 C ATOM 0 H LEU B 11 -8.986 -0.041 8.842 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.143 1.850 6.876 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.846 -1.170 6.751 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.855 -0.243 5.658 1.00 0.00 H new ATOM 0 HG LEU B 11 -7.884 0.259 5.930 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.593 -1.130 3.918 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.210 -2.079 5.291 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.313 -1.582 3.986 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.162 1.261 3.697 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.904 0.901 3.757 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.193 2.056 4.909 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.561 1.012 7.359 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.901 0.865 7.917 1.00 0.00 C ATOM 1917 C ASN B 12 -14.446 -0.537 7.658 1.00 0.00 C ATOM 1918 O ASN B 12 -14.101 -1.175 6.663 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.843 1.909 7.315 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.301 1.513 7.443 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.922 1.713 8.487 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.855 0.947 6.377 1.00 0.00 N ATOM 0 H ASN B 12 -12.537 1.402 6.417 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.839 1.019 8.994 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.684 2.867 7.811 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.599 2.051 6.262 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.833 0.659 6.403 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.302 0.800 5.532 1.00 0.00 H new ATOM 1929 N LEU B 13 -15.299 -1.009 8.561 1.00 0.00 N ATOM 1930 CA LEU B 13 -15.893 -2.335 8.432 1.00 0.00 C ATOM 1931 C LEU B 13 -16.918 -2.582 9.533 1.00 0.00 C ATOM 1932 O LEU B 13 -17.188 -1.703 10.351 1.00 0.00 O ATOM 1933 CB LEU B 13 -14.806 -3.410 8.480 1.00 0.00 C ATOM 1934 CG LEU B 13 -13.896 -3.389 9.710 1.00 0.00 C ATOM 1935 CD1 LEU B 13 -13.043 -4.647 9.763 1.00 0.00 C ATOM 1936 CD2 LEU B 13 -13.018 -2.148 9.702 1.00 0.00 C ATOM 0 H LEU B 13 -15.595 -0.493 9.390 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.402 -2.386 7.470 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -15.286 -4.387 8.425 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -14.184 -3.310 7.591 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.522 -3.361 10.602 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.402 -4.615 10.644 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.689 -5.523 9.816 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.425 -4.706 8.867 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -12.378 -2.150 10.584 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -12.400 -2.146 8.804 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -13.647 -1.258 9.712 1.00 0.00 H new ATOM 1948 N GLN B 14 -17.484 -3.785 9.549 1.00 0.00 N ATOM 1949 CA GLN B 14 -18.477 -4.148 10.553 1.00 0.00 C ATOM 1950 C GLN B 14 -18.012 -3.750 11.950 1.00 0.00 C ATOM 1951 O GLN B 14 -18.791 -3.234 12.752 1.00 0.00 O ATOM 1952 CB GLN B 14 -18.756 -5.651 10.505 1.00 0.00 C ATOM 1953 CG GLN B 14 -17.499 -6.505 10.557 1.00 0.00 C ATOM 1954 CD GLN B 14 -17.742 -7.928 10.093 1.00 0.00 C ATOM 1955 OE1 GLN B 14 -18.652 -8.190 9.307 1.00 0.00 O ATOM 1956 NE2 GLN B 14 -16.924 -8.856 10.578 1.00 0.00 N ATOM 0 H GLN B 14 -17.272 -4.524 8.879 1.00 0.00 H new ATOM 0 HA GLN B 14 -19.396 -3.607 10.329 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -19.402 -5.919 11.341 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -19.304 -5.881 9.592 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -16.729 -6.050 9.934 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -17.116 -6.520 11.577 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -16.183 -8.593 11.228 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -17.037 -9.831 10.301 1.00 0.00 H new ATOM 1965 N LYS B 15 -16.737 -3.991 12.234 1.00 0.00 N ATOM 1966 CA LYS B 15 -16.166 -3.657 13.534 1.00 0.00 C ATOM 1967 C LYS B 15 -16.079 -2.145 13.717 1.00 0.00 C ATOM 1968 O LYS B 15 -15.200 -1.645 14.421 1.00 0.00 O ATOM 1969 CB LYS B 15 -14.775 -4.280 13.678 1.00 0.00 C ATOM 1970 CG LYS B 15 -14.799 -5.791 13.835 1.00 0.00 C ATOM 1971 CD LYS B 15 -13.398 -6.357 13.995 1.00 0.00 C ATOM 1972 CE LYS B 15 -12.873 -6.156 15.408 1.00 0.00 C ATOM 1973 NZ LYS B 15 -12.247 -4.816 15.582 1.00 0.00 N ATOM 0 H LYS B 15 -16.079 -4.417 11.581 1.00 0.00 H new ATOM 0 HA LYS B 15 -16.820 -4.062 14.306 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -14.179 -4.023 12.802 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -14.277 -3.841 14.543 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -15.402 -6.058 14.703 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -15.277 -6.241 12.965 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -13.405 -7.421 13.756 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -12.727 -5.875 13.284 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -13.691 -6.270 16.119 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -12.142 -6.931 15.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -11.271 -4.930 15.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -12.239 -4.315 14.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -12.793 -4.265 16.275 1.00 0.00 H new TER 1987 LYS B 15