USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1136 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 CYS SG : rot 78:sc= 0.0667 USER MOD Set 1.2: A 95 MET CE :methyl 137:sc= -0.159 (180deg=-0.837) USER MOD Set 2.1: A 68 ASN : amide:sc= -0.191 X(o=-0.24,f=-0.092) USER MOD Set 2.2: A 81 ASN : amide:sc= -0.0521 K(o=-0.24,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0764 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 65:sc= 0.447 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -154:sc= -0.277 (180deg=-1.13) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= -0.0846 (180deg=-0.0846) USER MOD Single : A 13 GLN : amide:sc=-0.00165 K(o=-0.0017,f=-0.85) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0473 USER MOD Single : A 16 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.12) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 21 CYS SG : rot 147:sc= -4.24! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.00485 X(o=-0.0049,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 31 THR OG1 : rot -78:sc= 1.19 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -11.3! C(o=-11!,f=-8.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 99:sc= -1.68 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -1.71 K(o=-1.7,f=-13!) USER MOD Single : A 56 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.22) USER MOD Single : A 60 HIS : no HE2:sc= -6.02! C(o=-6!,f=-7.1!) USER MOD Single : A 61 SER OG : rot 154:sc= -1.34 USER MOD Single : A 63 ASN : amide:sc= 0.0897 K(o=0.09,f=-13!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 73 MET CE :methyl 144:sc= -0.249 (180deg=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.374 K(o=-0.37,f=-1.4) USER MOD Single : A 78 CYS SG : rot -138:sc= -0.786 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -170:sc= 0.0104 USER MOD Single : A 87 THR OG1 : rot 66:sc= 0.348 USER MOD Single : A 90 CYS SG : rot -21:sc= -0.689 USER MOD Single : A 92 THR OG1 : rot 175:sc= 0.208 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 0 USER MOD Single : A 120 SER OG : rot -24:sc= 0.166! USER MOD Single : A 123 SER OG : rot -85:sc= -0.186 USER MOD Single : A 125 THR OG1 : rot -115:sc= 1.11 USER MOD Single : A 131 THR OG1 : rot -65:sc= 0.407 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -56:sc= 0.0825 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.586 -11.249 20.631 1.00 0.00 N ATOM 2 CA GLY A 1 13.708 -10.427 21.045 1.00 0.00 C ATOM 3 C GLY A 1 13.608 -9.006 20.527 1.00 0.00 C ATOM 4 O GLY A 1 12.805 -8.716 19.640 1.00 0.00 O ATOM 0 H1 GLY A 1 12.036 -11.533 21.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.978 -10.706 19.985 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.938 -12.098 20.144 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.760 -10.411 22.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.635 -10.876 20.688 1.00 0.00 H new ATOM 8 N SER A 2 14.424 -8.116 21.083 1.00 0.00 N ATOM 9 CA SER A 2 14.421 -6.717 20.675 1.00 0.00 C ATOM 10 C SER A 2 15.373 -6.489 19.505 1.00 0.00 C ATOM 11 O SER A 2 16.539 -6.881 19.554 1.00 0.00 O ATOM 12 CB SER A 2 14.816 -5.820 21.851 1.00 0.00 C ATOM 13 OG SER A 2 14.445 -4.473 21.612 1.00 0.00 O ATOM 0 H SER A 2 15.096 -8.340 21.817 1.00 0.00 H new ATOM 0 HA SER A 2 13.411 -6.461 20.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.335 -6.177 22.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.892 -5.881 22.013 1.00 0.00 H new ATOM 0 HG SER A 2 14.707 -3.921 22.378 1.00 0.00 H new ATOM 19 N SER A 3 14.867 -5.853 18.454 1.00 0.00 N ATOM 20 CA SER A 3 15.670 -5.576 17.268 1.00 0.00 C ATOM 21 C SER A 3 16.112 -4.116 17.241 1.00 0.00 C ATOM 22 O SER A 3 15.456 -3.246 17.812 1.00 0.00 O ATOM 23 CB SER A 3 14.877 -5.904 16.001 1.00 0.00 C ATOM 24 OG SER A 3 14.647 -7.298 15.891 1.00 0.00 O ATOM 0 H SER A 3 13.905 -5.520 18.399 1.00 0.00 H new ATOM 0 HA SER A 3 16.558 -6.206 17.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.924 -5.375 16.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.422 -5.552 15.125 1.00 0.00 H new ATOM 0 HG SER A 3 14.137 -7.482 15.075 1.00 0.00 H new ATOM 30 N GLY A 4 17.232 -3.856 16.572 1.00 0.00 N ATOM 31 CA GLY A 4 17.744 -2.501 16.482 1.00 0.00 C ATOM 32 C GLY A 4 18.592 -2.283 15.245 1.00 0.00 C ATOM 33 O GLY A 4 18.249 -2.750 14.159 1.00 0.00 O ATOM 0 H GLY A 4 17.793 -4.559 16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.909 -1.800 16.475 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.338 -2.280 17.369 1.00 0.00 H new ATOM 37 N SER A 5 19.701 -1.569 15.408 1.00 0.00 N ATOM 38 CA SER A 5 20.598 -1.285 14.293 1.00 0.00 C ATOM 39 C SER A 5 19.809 -1.021 13.015 1.00 0.00 C ATOM 40 O SER A 5 20.174 -1.492 11.938 1.00 0.00 O ATOM 41 CB SER A 5 21.564 -2.452 14.078 1.00 0.00 C ATOM 42 OG SER A 5 20.901 -3.562 13.497 1.00 0.00 O ATOM 0 H SER A 5 20.000 -1.177 16.301 1.00 0.00 H new ATOM 0 HA SER A 5 21.170 -0.390 14.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.384 -2.136 13.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.003 -2.745 15.032 1.00 0.00 H new ATOM 0 HG SER A 5 20.599 -3.327 12.595 1.00 0.00 H new ATOM 48 N SER A 6 18.724 -0.264 13.142 1.00 0.00 N ATOM 49 CA SER A 6 17.879 0.061 11.999 1.00 0.00 C ATOM 50 C SER A 6 18.656 0.867 10.962 1.00 0.00 C ATOM 51 O SER A 6 18.822 2.079 11.098 1.00 0.00 O ATOM 52 CB SER A 6 16.648 0.846 12.454 1.00 0.00 C ATOM 53 OG SER A 6 15.653 -0.021 12.971 1.00 0.00 O ATOM 0 H SER A 6 18.409 0.136 14.026 1.00 0.00 H new ATOM 0 HA SER A 6 17.555 -0.873 11.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.936 1.570 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.242 1.411 11.615 1.00 0.00 H new ATOM 0 HG SER A 6 14.877 0.505 13.257 1.00 0.00 H new ATOM 59 N GLY A 7 19.129 0.185 9.924 1.00 0.00 N ATOM 60 CA GLY A 7 19.882 0.852 8.878 1.00 0.00 C ATOM 61 C GLY A 7 19.018 1.771 8.037 1.00 0.00 C ATOM 62 O GLY A 7 19.225 2.984 8.019 1.00 0.00 O ATOM 0 H GLY A 7 19.004 -0.818 9.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.690 1.429 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.345 0.104 8.234 1.00 0.00 H new ATOM 66 N MET A 8 18.048 1.192 7.338 1.00 0.00 N ATOM 67 CA MET A 8 17.150 1.968 6.490 1.00 0.00 C ATOM 68 C MET A 8 15.693 1.698 6.852 1.00 0.00 C ATOM 69 O MET A 8 15.228 0.561 6.784 1.00 0.00 O ATOM 70 CB MET A 8 17.391 1.636 5.016 1.00 0.00 C ATOM 71 CG MET A 8 16.489 2.405 4.065 1.00 0.00 C ATOM 72 SD MET A 8 17.253 2.684 2.456 1.00 0.00 S ATOM 73 CE MET A 8 18.645 3.713 2.917 1.00 0.00 C ATOM 0 H MET A 8 17.863 0.189 7.342 1.00 0.00 H new ATOM 0 HA MET A 8 17.358 3.025 6.655 1.00 0.00 H new ATOM 0 HB2 MET A 8 18.431 1.849 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.240 0.567 4.863 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.557 1.856 3.930 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.231 3.365 4.512 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.935 4.334 2.069 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.364 4.351 3.755 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.484 3.081 3.208 1.00 0.00 H new ATOM 83 N GLU A 9 14.978 2.751 7.237 1.00 0.00 N ATOM 84 CA GLU A 9 13.574 2.625 7.610 1.00 0.00 C ATOM 85 C GLU A 9 12.849 1.655 6.682 1.00 0.00 C ATOM 86 O GLU A 9 13.246 1.438 5.537 1.00 0.00 O ATOM 87 CB GLU A 9 12.889 3.993 7.572 1.00 0.00 C ATOM 88 CG GLU A 9 12.989 4.760 8.879 1.00 0.00 C ATOM 89 CD GLU A 9 14.420 4.908 9.361 1.00 0.00 C ATOM 90 OE1 GLU A 9 14.904 4.002 10.071 1.00 0.00 O ATOM 91 OE2 GLU A 9 15.055 5.930 9.026 1.00 0.00 O ATOM 0 H GLU A 9 15.348 3.700 7.299 1.00 0.00 H new ATOM 0 HA GLU A 9 13.528 2.231 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.333 4.590 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.837 3.856 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.549 5.749 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.404 4.248 9.642 1.00 0.00 H new ATOM 98 N PRO A 10 11.760 1.056 7.186 1.00 0.00 N ATOM 99 CA PRO A 10 10.956 0.099 6.420 1.00 0.00 C ATOM 100 C PRO A 10 10.185 0.767 5.287 1.00 0.00 C ATOM 101 O PRO A 10 9.761 0.106 4.338 1.00 0.00 O ATOM 102 CB PRO A 10 9.990 -0.468 7.463 1.00 0.00 C ATOM 103 CG PRO A 10 9.884 0.596 8.500 1.00 0.00 C ATOM 104 CD PRO A 10 11.229 1.267 8.543 1.00 0.00 C ATOM 0 HA PRO A 10 11.574 -0.657 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.018 -0.690 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.367 -1.398 7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.100 1.310 8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.629 0.171 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.141 2.327 8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.875 0.824 9.301 1.00 0.00 H new ATOM 112 N TRP A 11 10.006 2.078 5.392 1.00 0.00 N ATOM 113 CA TRP A 11 9.284 2.835 4.375 1.00 0.00 C ATOM 114 C TRP A 11 10.250 3.457 3.372 1.00 0.00 C ATOM 115 O TRP A 11 9.985 3.479 2.170 1.00 0.00 O ATOM 116 CB TRP A 11 8.435 3.927 5.028 1.00 0.00 C ATOM 117 CG TRP A 11 9.193 5.193 5.287 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.937 5.492 6.393 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.280 6.332 4.423 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.480 6.748 6.269 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.093 7.284 5.069 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.751 6.640 3.167 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.387 8.520 4.500 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.043 7.867 2.603 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.856 8.795 3.269 1.00 0.00 C ATOM 0 H TRP A 11 10.350 2.640 6.171 1.00 0.00 H new ATOM 0 HA TRP A 11 8.629 2.146 3.842 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.583 4.147 4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.035 3.552 5.970 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.078 4.837 7.240 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.075 7.207 6.959 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.125 5.931 2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.012 9.237 5.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.638 8.115 1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.067 9.745 2.801 1.00 0.00 H new ATOM 136 N LYS A 12 11.373 3.961 3.873 1.00 0.00 N ATOM 137 CA LYS A 12 12.380 4.583 3.021 1.00 0.00 C ATOM 138 C LYS A 12 12.616 3.752 1.764 1.00 0.00 C ATOM 139 O LYS A 12 12.649 4.285 0.655 1.00 0.00 O ATOM 140 CB LYS A 12 13.693 4.751 3.789 1.00 0.00 C ATOM 141 CG LYS A 12 13.770 6.040 4.588 1.00 0.00 C ATOM 142 CD LYS A 12 13.607 7.260 3.696 1.00 0.00 C ATOM 143 CE LYS A 12 14.388 8.450 4.232 1.00 0.00 C ATOM 144 NZ LYS A 12 14.448 9.564 3.245 1.00 0.00 N ATOM 0 H LYS A 12 11.609 3.951 4.865 1.00 0.00 H new ATOM 0 HA LYS A 12 12.013 5.565 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.819 3.906 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.523 4.721 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.994 6.042 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.728 6.092 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.948 7.023 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.551 7.520 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.924 8.805 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.400 8.135 4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.989 10.356 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.914 9.233 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.483 9.882 3.021 1.00 0.00 H new ATOM 158 N GLN A 13 12.779 2.446 1.945 1.00 0.00 N ATOM 159 CA GLN A 13 13.011 1.543 0.824 1.00 0.00 C ATOM 160 C GLN A 13 11.712 1.253 0.080 1.00 0.00 C ATOM 161 O GLN A 13 11.703 1.124 -1.145 1.00 0.00 O ATOM 162 CB GLN A 13 13.633 0.235 1.316 1.00 0.00 C ATOM 163 CG GLN A 13 12.734 -0.551 2.257 1.00 0.00 C ATOM 164 CD GLN A 13 13.402 -1.801 2.795 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.746 -2.710 2.039 1.00 0.00 O ATOM 166 NE2 GLN A 13 13.590 -1.852 4.109 1.00 0.00 N ATOM 0 H GLN A 13 12.755 1.989 2.857 1.00 0.00 H new ATOM 0 HA GLN A 13 13.702 2.030 0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.877 -0.388 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.571 0.457 1.825 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.441 0.087 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.820 -0.829 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.289 -1.075 4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.035 -2.668 4.529 1.00 0.00 H new ATOM 175 N CYS A 14 10.618 1.153 0.826 1.00 0.00 N ATOM 176 CA CYS A 14 9.313 0.877 0.237 1.00 0.00 C ATOM 177 C CYS A 14 9.016 1.844 -0.904 1.00 0.00 C ATOM 178 O CYS A 14 8.497 1.449 -1.948 1.00 0.00 O ATOM 179 CB CYS A 14 8.219 0.974 1.301 1.00 0.00 C ATOM 180 SG CYS A 14 6.635 0.260 0.800 1.00 0.00 S ATOM 0 H CYS A 14 10.609 1.259 1.840 1.00 0.00 H new ATOM 0 HA CYS A 14 9.330 -0.136 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.562 0.472 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.068 2.023 1.557 1.00 0.00 H new ATOM 0 HG CYS A 14 5.776 0.389 1.767 1.00 0.00 H new ATOM 186 N ALA A 15 9.349 3.115 -0.698 1.00 0.00 N ATOM 187 CA ALA A 15 9.118 4.139 -1.709 1.00 0.00 C ATOM 188 C ALA A 15 9.549 3.653 -3.089 1.00 0.00 C ATOM 189 O ALA A 15 8.851 3.872 -4.079 1.00 0.00 O ATOM 190 CB ALA A 15 9.857 5.417 -1.343 1.00 0.00 C ATOM 0 H ALA A 15 9.780 3.459 0.160 1.00 0.00 H new ATOM 0 HA ALA A 15 8.049 4.348 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.676 6.173 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.500 5.781 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.926 5.214 -1.280 1.00 0.00 H new ATOM 196 N GLN A 16 10.702 2.995 -3.147 1.00 0.00 N ATOM 197 CA GLN A 16 11.225 2.481 -4.407 1.00 0.00 C ATOM 198 C GLN A 16 10.244 1.503 -5.045 1.00 0.00 C ATOM 199 O GLN A 16 9.730 1.748 -6.137 1.00 0.00 O ATOM 200 CB GLN A 16 12.573 1.794 -4.182 1.00 0.00 C ATOM 201 CG GLN A 16 13.664 2.739 -3.704 1.00 0.00 C ATOM 202 CD GLN A 16 13.990 3.815 -4.721 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.894 3.657 -5.542 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.254 4.919 -4.671 1.00 0.00 N ATOM 0 H GLN A 16 11.292 2.805 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 16 11.363 3.324 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.448 0.997 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.892 1.325 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.350 3.209 -2.772 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.565 2.166 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.515 5.008 -3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.428 5.678 -5.330 1.00 0.00 H new ATOM 213 N TRP A 17 9.988 0.396 -4.358 1.00 0.00 N ATOM 214 CA TRP A 17 9.068 -0.619 -4.858 1.00 0.00 C ATOM 215 C TRP A 17 7.849 0.025 -5.509 1.00 0.00 C ATOM 216 O TRP A 17 7.405 -0.402 -6.576 1.00 0.00 O ATOM 217 CB TRP A 17 8.627 -1.542 -3.721 1.00 0.00 C ATOM 218 CG TRP A 17 7.862 -2.742 -4.193 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.337 -3.766 -4.961 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.487 -3.040 -3.928 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.340 -4.684 -5.190 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.196 -4.262 -4.566 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.475 -2.396 -3.213 1.00 0.00 C ATOM 224 CZ2 TRP A 17 4.934 -4.848 -4.510 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.223 -2.979 -3.159 1.00 0.00 C ATOM 226 CH2 TRP A 17 3.962 -4.195 -3.803 1.00 0.00 C ATOM 0 H TRP A 17 10.405 0.178 -3.453 1.00 0.00 H new ATOM 0 HA TRP A 17 9.591 -1.208 -5.612 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.507 -1.874 -3.170 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.009 -0.977 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.348 -3.843 -5.334 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.436 -5.540 -5.736 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.667 -1.459 -2.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.730 -5.785 -5.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.432 -2.488 -2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.974 -4.626 -3.740 1.00 0.00 H new ATOM 237 N LEU A 18 7.312 1.053 -4.862 1.00 0.00 N ATOM 238 CA LEU A 18 6.143 1.756 -5.379 1.00 0.00 C ATOM 239 C LEU A 18 6.419 2.326 -6.767 1.00 0.00 C ATOM 240 O LEU A 18 5.651 2.105 -7.703 1.00 0.00 O ATOM 241 CB LEU A 18 5.737 2.881 -4.425 1.00 0.00 C ATOM 242 CG LEU A 18 5.325 2.451 -3.017 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.171 3.664 -2.112 1.00 0.00 C ATOM 244 CD2 LEU A 18 4.032 1.650 -3.061 1.00 0.00 C ATOM 0 H LEU A 18 7.667 1.418 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 18 5.325 1.040 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.571 3.578 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.908 3.429 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 18 6.110 1.815 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.877 3.338 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.119 4.198 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.406 4.326 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.754 1.352 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.239 2.263 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.176 0.761 -3.675 1.00 0.00 H new ATOM 256 N ILE A 19 7.522 3.056 -6.892 1.00 0.00 N ATOM 257 CA ILE A 19 7.901 3.654 -8.166 1.00 0.00 C ATOM 258 C ILE A 19 8.058 2.590 -9.247 1.00 0.00 C ATOM 259 O ILE A 19 7.639 2.784 -10.389 1.00 0.00 O ATOM 260 CB ILE A 19 9.217 4.446 -8.047 1.00 0.00 C ATOM 261 CG1 ILE A 19 9.109 5.492 -6.935 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.558 5.108 -9.373 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.424 6.161 -6.605 1.00 0.00 C ATOM 0 H ILE A 19 8.169 3.248 -6.127 1.00 0.00 H new ATOM 0 HA ILE A 19 7.099 4.337 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 19 10.019 3.754 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.388 6.253 -7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.717 5.016 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.490 5.664 -9.273 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.672 4.344 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.757 5.791 -9.655 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.272 6.890 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 19 11.142 5.410 -6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.808 6.667 -7.491 1.00 0.00 H new ATOM 275 N HIS A 20 8.662 1.465 -8.879 1.00 0.00 N ATOM 276 CA HIS A 20 8.872 0.368 -9.817 1.00 0.00 C ATOM 277 C HIS A 20 7.564 -0.369 -10.094 1.00 0.00 C ATOM 278 O HIS A 20 7.388 -0.963 -11.158 1.00 0.00 O ATOM 279 CB HIS A 20 9.914 -0.608 -9.269 1.00 0.00 C ATOM 280 CG HIS A 20 11.322 -0.111 -9.393 1.00 0.00 C ATOM 281 ND1 HIS A 20 12.213 -0.599 -10.326 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.991 0.836 -8.695 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.369 0.026 -10.195 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.261 0.902 -9.213 1.00 0.00 N ATOM 0 H HIS A 20 9.015 1.289 -7.938 1.00 0.00 H new ATOM 0 HA HIS A 20 9.237 0.789 -10.754 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.698 -0.806 -8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.824 -1.557 -9.797 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.599 1.429 -7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 20 14.253 -0.150 -10.790 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.001 1.526 -8.891 1.00 0.00 H new ATOM 293 N CYS A 21 6.652 -0.326 -9.129 1.00 0.00 N ATOM 294 CA CYS A 21 5.361 -0.990 -9.268 1.00 0.00 C ATOM 295 C CYS A 21 4.412 -0.161 -10.127 1.00 0.00 C ATOM 296 O CYS A 21 3.227 -0.475 -10.243 1.00 0.00 O ATOM 297 CB CYS A 21 4.740 -1.236 -7.892 1.00 0.00 C ATOM 298 SG CYS A 21 5.585 -2.502 -6.916 1.00 0.00 S ATOM 0 H CYS A 21 6.783 0.161 -8.243 1.00 0.00 H new ATOM 0 HA CYS A 21 5.525 -1.948 -9.761 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.741 -0.301 -7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.698 -1.528 -8.023 1.00 0.00 H new ATOM 0 HG CYS A 21 5.512 -2.198 -5.654 1.00 0.00 H new ATOM 304 N LYS A 22 4.940 0.901 -10.726 1.00 0.00 N ATOM 305 CA LYS A 22 4.141 1.778 -11.574 1.00 0.00 C ATOM 306 C LYS A 22 2.947 2.337 -10.808 1.00 0.00 C ATOM 307 O LYS A 22 1.816 2.311 -11.295 1.00 0.00 O ATOM 308 CB LYS A 22 3.657 1.020 -12.813 1.00 0.00 C ATOM 309 CG LYS A 22 4.728 0.155 -13.454 1.00 0.00 C ATOM 310 CD LYS A 22 5.742 0.994 -14.214 1.00 0.00 C ATOM 311 CE LYS A 22 6.915 1.387 -13.329 1.00 0.00 C ATOM 312 NZ LYS A 22 8.058 1.913 -14.125 1.00 0.00 N ATOM 0 H LYS A 22 5.919 1.175 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 22 4.770 2.611 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.811 0.391 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.293 1.738 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.238 -0.424 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.262 -0.558 -14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.106 0.434 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.258 1.892 -14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.593 2.143 -12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.241 0.521 -12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.837 2.170 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.382 1.183 -14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.754 2.754 -14.655 1.00 0.00 H new ATOM 326 N VAL A 23 3.205 2.843 -9.606 1.00 0.00 N ATOM 327 CA VAL A 23 2.151 3.410 -8.773 1.00 0.00 C ATOM 328 C VAL A 23 2.496 4.831 -8.343 1.00 0.00 C ATOM 329 O VAL A 23 1.610 5.636 -8.051 1.00 0.00 O ATOM 330 CB VAL A 23 1.904 2.552 -7.518 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.421 1.163 -7.908 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.165 2.469 -6.673 1.00 0.00 C ATOM 0 H VAL A 23 4.135 2.872 -9.187 1.00 0.00 H new ATOM 0 HA VAL A 23 1.244 3.426 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 23 1.125 3.027 -6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.252 0.571 -7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.490 1.246 -8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.175 0.676 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.972 1.859 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.966 2.017 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.462 3.471 -6.364 1.00 0.00 H new ATOM 342 N LEU A 24 3.789 5.135 -8.306 1.00 0.00 N ATOM 343 CA LEU A 24 4.253 6.461 -7.912 1.00 0.00 C ATOM 344 C LEU A 24 5.360 6.949 -8.841 1.00 0.00 C ATOM 345 O LEU A 24 6.156 6.168 -9.362 1.00 0.00 O ATOM 346 CB LEU A 24 4.756 6.438 -6.468 1.00 0.00 C ATOM 347 CG LEU A 24 3.686 6.285 -5.386 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.325 5.959 -4.046 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.846 7.550 -5.285 1.00 0.00 C ATOM 0 H LEU A 24 4.535 4.481 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 24 3.412 7.150 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.468 5.619 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.304 7.361 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 24 3.031 5.459 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.548 5.854 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.882 5.026 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.003 6.763 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.090 7.424 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.488 8.394 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.358 7.740 -6.241 1.00 0.00 H new ATOM 361 N PRO A 25 5.414 8.272 -9.053 1.00 0.00 N ATOM 362 CA PRO A 25 6.421 8.895 -9.918 1.00 0.00 C ATOM 363 C PRO A 25 7.820 8.835 -9.314 1.00 0.00 C ATOM 364 O PRO A 25 7.983 8.860 -8.093 1.00 0.00 O ATOM 365 CB PRO A 25 5.947 10.346 -10.026 1.00 0.00 C ATOM 366 CG PRO A 25 5.150 10.578 -8.789 1.00 0.00 C ATOM 367 CD PRO A 25 4.497 9.263 -8.465 1.00 0.00 C ATOM 0 HA PRO A 25 6.504 8.387 -10.879 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.790 11.034 -10.088 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.343 10.500 -10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.788 10.909 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.403 11.356 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.389 9.122 -7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.499 9.193 -8.897 1.00 0.00 H new ATOM 375 N THR A 26 8.829 8.757 -10.176 1.00 0.00 N ATOM 376 CA THR A 26 10.214 8.693 -9.728 1.00 0.00 C ATOM 377 C THR A 26 10.602 9.951 -8.959 1.00 0.00 C ATOM 378 O THR A 26 11.539 9.939 -8.162 1.00 0.00 O ATOM 379 CB THR A 26 11.181 8.512 -10.913 1.00 0.00 C ATOM 380 OG1 THR A 26 11.214 9.704 -11.705 1.00 0.00 O ATOM 381 CG2 THR A 26 10.760 7.333 -11.778 1.00 0.00 C ATOM 0 H THR A 26 8.712 8.737 -11.189 1.00 0.00 H new ATOM 0 HA THR A 26 10.292 7.828 -9.069 1.00 0.00 H new ATOM 0 HB THR A 26 12.176 8.314 -10.515 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.832 9.581 -12.455 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.457 7.224 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.764 6.422 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.757 7.507 -12.167 1.00 0.00 H new ATOM 389 N ASN A 27 9.874 11.037 -9.204 1.00 0.00 N ATOM 390 CA ASN A 27 10.143 12.304 -8.534 1.00 0.00 C ATOM 391 C ASN A 27 9.026 12.647 -7.553 1.00 0.00 C ATOM 392 O ASN A 27 8.855 13.806 -7.171 1.00 0.00 O ATOM 393 CB ASN A 27 10.296 13.426 -9.563 1.00 0.00 C ATOM 394 CG ASN A 27 11.682 13.461 -10.178 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.857 13.161 -11.359 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.675 13.829 -9.377 1.00 0.00 N ATOM 0 H ASN A 27 9.094 11.064 -9.861 1.00 0.00 H new ATOM 0 HA ASN A 27 11.074 12.202 -7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.555 13.296 -10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.089 14.384 -9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.629 13.872 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.483 14.069 -8.404 1.00 0.00 H new ATOM 403 N HIS A 28 8.269 11.633 -7.147 1.00 0.00 N ATOM 404 CA HIS A 28 7.170 11.827 -6.209 1.00 0.00 C ATOM 405 C HIS A 28 7.626 12.633 -4.997 1.00 0.00 C ATOM 406 O HIS A 28 8.816 12.900 -4.829 1.00 0.00 O ATOM 407 CB HIS A 28 6.612 10.477 -5.757 1.00 0.00 C ATOM 408 CG HIS A 28 5.179 10.534 -5.328 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.713 9.932 -4.178 1.00 0.00 N ATOM 410 CD2 HIS A 28 4.106 11.128 -5.902 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.415 10.152 -4.064 1.00 0.00 C ATOM 412 NE2 HIS A 28 3.022 10.875 -5.097 1.00 0.00 N ATOM 0 H HIS A 28 8.397 10.668 -7.453 1.00 0.00 H new ATOM 0 HA HIS A 28 6.384 12.384 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.710 9.761 -6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.215 10.102 -4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.103 11.695 -6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.783 9.800 -3.262 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.068 11.194 -5.269 1.00 0.00 H new ATOM 421 N ARG A 29 6.672 13.019 -4.155 1.00 0.00 N ATOM 422 CA ARG A 29 6.975 13.797 -2.960 1.00 0.00 C ATOM 423 C ARG A 29 7.468 12.893 -1.834 1.00 0.00 C ATOM 424 O ARG A 29 8.122 13.351 -0.897 1.00 0.00 O ATOM 425 CB ARG A 29 5.739 14.572 -2.502 1.00 0.00 C ATOM 426 CG ARG A 29 4.661 13.693 -1.889 1.00 0.00 C ATOM 427 CD ARG A 29 3.684 13.192 -2.941 1.00 0.00 C ATOM 428 NE ARG A 29 2.378 12.877 -2.369 1.00 0.00 N ATOM 429 CZ ARG A 29 1.539 13.796 -1.902 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.869 15.079 -1.940 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.368 13.430 -1.397 1.00 0.00 N ATOM 0 H ARG A 29 5.682 12.805 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 29 7.766 14.504 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.041 15.323 -1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.319 15.106 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.125 12.843 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.121 14.256 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.567 13.949 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.093 12.303 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 29 2.094 11.898 -2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.768 15.363 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.223 15.782 -1.581 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.112 12.443 -1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.276 14.135 -1.039 1.00 0.00 H new ATOM 445 N VAL A 30 7.148 11.606 -1.932 1.00 0.00 N ATOM 446 CA VAL A 30 7.558 10.637 -0.922 1.00 0.00 C ATOM 447 C VAL A 30 9.041 10.305 -1.050 1.00 0.00 C ATOM 448 O VAL A 30 9.675 9.864 -0.091 1.00 0.00 O ATOM 449 CB VAL A 30 6.741 9.336 -1.028 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.252 9.632 -0.934 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.067 8.607 -2.323 1.00 0.00 C ATOM 0 H VAL A 30 6.606 11.211 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 30 7.373 11.095 0.050 1.00 0.00 H new ATOM 0 HB VAL A 30 7.012 8.688 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.690 8.701 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.035 10.109 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.962 10.299 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.481 7.690 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.825 9.247 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.129 8.361 -2.345 1.00 0.00 H new ATOM 461 N THR A 31 9.589 10.520 -2.242 1.00 0.00 N ATOM 462 CA THR A 31 10.997 10.242 -2.496 1.00 0.00 C ATOM 463 C THR A 31 11.894 11.234 -1.763 1.00 0.00 C ATOM 464 O THR A 31 12.975 10.878 -1.295 1.00 0.00 O ATOM 465 CB THR A 31 11.317 10.294 -4.002 1.00 0.00 C ATOM 466 OG1 THR A 31 10.992 11.586 -4.527 1.00 0.00 O ATOM 467 CG2 THR A 31 10.543 9.225 -4.757 1.00 0.00 C ATOM 0 H THR A 31 9.079 10.886 -3.046 1.00 0.00 H new ATOM 0 HA THR A 31 11.193 9.236 -2.125 1.00 0.00 H new ATOM 0 HB THR A 31 12.383 10.107 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 31 10.024 11.650 -4.663 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.785 9.281 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.814 8.241 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.474 9.385 -4.620 1.00 0.00 H new ATOM 475 N TRP A 32 11.438 12.477 -1.667 1.00 0.00 N ATOM 476 CA TRP A 32 12.200 13.520 -0.989 1.00 0.00 C ATOM 477 C TRP A 32 12.565 13.094 0.428 1.00 0.00 C ATOM 478 O TRP A 32 11.762 12.475 1.127 1.00 0.00 O ATOM 479 CB TRP A 32 11.399 14.823 -0.953 1.00 0.00 C ATOM 480 CG TRP A 32 11.259 15.472 -2.297 1.00 0.00 C ATOM 481 CD1 TRP A 32 11.089 14.843 -3.497 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.279 16.876 -2.577 1.00 0.00 C ATOM 483 NE1 TRP A 32 11.003 15.771 -4.506 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.115 17.026 -3.968 1.00 0.00 C ATOM 485 CE3 TRP A 32 11.418 18.021 -1.788 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.088 18.274 -4.584 1.00 0.00 C ATOM 487 CZ3 TRP A 32 11.391 19.259 -2.401 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.226 19.378 -3.787 1.00 0.00 C ATOM 0 H TRP A 32 10.545 12.788 -2.050 1.00 0.00 H new ATOM 0 HA TRP A 32 13.122 13.683 -1.547 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.407 14.620 -0.550 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.884 15.520 -0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.031 13.773 -3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.876 15.560 -5.496 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.544 17.940 -0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.963 18.368 -5.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.499 20.151 -1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.207 20.360 -4.235 1.00 0.00 H new ATOM 499 N ASP A 33 13.780 13.429 0.848 1.00 0.00 N ATOM 500 CA ASP A 33 14.251 13.082 2.183 1.00 0.00 C ATOM 501 C ASP A 33 13.317 13.642 3.252 1.00 0.00 C ATOM 502 O ASP A 33 12.907 12.929 4.168 1.00 0.00 O ATOM 503 CB ASP A 33 15.670 13.610 2.401 1.00 0.00 C ATOM 504 CG ASP A 33 16.724 12.698 1.805 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.541 12.251 0.653 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.733 12.431 2.491 1.00 0.00 O ATOM 0 H ASP A 33 14.457 13.941 0.282 1.00 0.00 H new ATOM 0 HA ASP A 33 14.260 11.995 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.758 14.601 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.853 13.722 3.470 1.00 0.00 H new ATOM 511 N SER A 34 12.986 14.923 3.128 1.00 0.00 N ATOM 512 CA SER A 34 12.104 15.581 4.085 1.00 0.00 C ATOM 513 C SER A 34 10.863 14.734 4.352 1.00 0.00 C ATOM 514 O SER A 34 10.313 14.750 5.452 1.00 0.00 O ATOM 515 CB SER A 34 11.693 16.960 3.567 1.00 0.00 C ATOM 516 OG SER A 34 12.612 17.956 3.981 1.00 0.00 O ATOM 0 H SER A 34 13.315 15.526 2.374 1.00 0.00 H new ATOM 0 HA SER A 34 12.649 15.700 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.638 16.941 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.696 17.207 3.932 1.00 0.00 H new ATOM 0 HG SER A 34 12.327 18.828 3.635 1.00 0.00 H new ATOM 522 N ALA A 35 10.429 13.996 3.336 1.00 0.00 N ATOM 523 CA ALA A 35 9.255 13.141 3.460 1.00 0.00 C ATOM 524 C ALA A 35 9.352 12.251 4.694 1.00 0.00 C ATOM 525 O ALA A 35 10.419 12.121 5.294 1.00 0.00 O ATOM 526 CB ALA A 35 9.085 12.293 2.208 1.00 0.00 C ATOM 0 H ALA A 35 10.873 13.973 2.418 1.00 0.00 H new ATOM 0 HA ALA A 35 8.380 13.781 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.204 11.659 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.961 12.943 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.967 11.668 2.069 1.00 0.00 H new ATOM 532 N GLN A 36 8.232 11.640 5.067 1.00 0.00 N ATOM 533 CA GLN A 36 8.192 10.764 6.232 1.00 0.00 C ATOM 534 C GLN A 36 7.145 9.669 6.053 1.00 0.00 C ATOM 535 O GLN A 36 6.264 9.772 5.199 1.00 0.00 O ATOM 536 CB GLN A 36 7.892 11.572 7.495 1.00 0.00 C ATOM 537 CG GLN A 36 9.008 12.528 7.885 1.00 0.00 C ATOM 538 CD GLN A 36 8.620 13.441 9.031 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.984 14.475 8.828 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.003 13.064 10.245 1.00 0.00 N ATOM 0 H GLN A 36 7.341 11.735 4.580 1.00 0.00 H new ATOM 0 HA GLN A 36 9.170 10.294 6.335 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.974 12.140 7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.708 10.885 8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.891 11.954 8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.282 13.133 7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.529 12.199 10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.771 13.640 11.055 1.00 0.00 H new ATOM 549 N VAL A 37 7.246 8.622 6.865 1.00 0.00 N ATOM 550 CA VAL A 37 6.307 7.508 6.797 1.00 0.00 C ATOM 551 C VAL A 37 4.882 8.004 6.584 1.00 0.00 C ATOM 552 O VAL A 37 4.121 7.425 5.807 1.00 0.00 O ATOM 553 CB VAL A 37 6.356 6.654 8.078 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.623 5.813 8.112 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.261 7.540 9.312 1.00 0.00 C ATOM 0 H VAL A 37 7.969 8.521 7.578 1.00 0.00 H new ATOM 0 HA VAL A 37 6.605 6.893 5.948 1.00 0.00 H new ATOM 0 HB VAL A 37 5.501 5.978 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.640 5.217 9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.644 5.152 7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.495 6.467 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.297 6.921 10.208 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.095 8.241 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.322 8.094 9.291 1.00 0.00 H new ATOM 565 N PHE A 38 4.525 9.079 7.279 1.00 0.00 N ATOM 566 CA PHE A 38 3.189 9.653 7.166 1.00 0.00 C ATOM 567 C PHE A 38 2.852 9.964 5.711 1.00 0.00 C ATOM 568 O PHE A 38 1.915 9.400 5.145 1.00 0.00 O ATOM 569 CB PHE A 38 3.085 10.926 8.008 1.00 0.00 C ATOM 570 CG PHE A 38 1.722 11.556 7.978 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.582 10.770 7.938 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.581 12.935 7.988 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.673 11.348 7.909 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.328 13.518 7.960 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.800 12.723 7.921 1.00 0.00 C ATOM 0 H PHE A 38 5.142 9.570 7.926 1.00 0.00 H new ATOM 0 HA PHE A 38 2.473 8.920 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.345 10.691 9.040 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.818 11.649 7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.675 9.694 7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.460 13.561 8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.554 10.724 7.877 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.232 14.594 7.969 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.780 13.176 7.900 1.00 0.00 H new ATOM 585 N ASP A 39 3.622 10.866 5.111 1.00 0.00 N ATOM 586 CA ASP A 39 3.406 11.253 3.722 1.00 0.00 C ATOM 587 C ASP A 39 2.984 10.051 2.882 1.00 0.00 C ATOM 588 O ASP A 39 1.912 10.049 2.276 1.00 0.00 O ATOM 589 CB ASP A 39 4.676 11.876 3.140 1.00 0.00 C ATOM 590 CG ASP A 39 4.870 13.313 3.581 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.856 14.000 3.829 1.00 0.00 O ATOM 592 OD2 ASP A 39 6.035 13.752 3.680 1.00 0.00 O ATOM 0 H ASP A 39 4.401 11.343 5.565 1.00 0.00 H new ATOM 0 HA ASP A 39 2.604 11.991 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.540 11.285 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.631 11.836 2.052 1.00 0.00 H new ATOM 597 N LEU A 40 3.834 9.031 2.850 1.00 0.00 N ATOM 598 CA LEU A 40 3.551 7.822 2.084 1.00 0.00 C ATOM 599 C LEU A 40 2.298 7.127 2.607 1.00 0.00 C ATOM 600 O LEU A 40 1.589 6.456 1.857 1.00 0.00 O ATOM 601 CB LEU A 40 4.742 6.865 2.145 1.00 0.00 C ATOM 602 CG LEU A 40 4.516 5.473 1.552 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.304 5.561 0.049 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.689 4.559 1.875 1.00 0.00 C ATOM 0 H LEU A 40 4.725 9.017 3.346 1.00 0.00 H new ATOM 0 HA LEU A 40 3.378 8.111 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.581 7.328 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.037 6.750 3.188 1.00 0.00 H new ATOM 0 HG LEU A 40 3.617 5.049 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.145 4.561 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.431 6.180 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.184 6.005 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.511 3.573 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.603 4.978 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.794 4.470 2.956 1.00 0.00 H new ATOM 616 N ALA A 41 2.030 7.294 3.898 1.00 0.00 N ATOM 617 CA ALA A 41 0.861 6.687 4.521 1.00 0.00 C ATOM 618 C ALA A 41 -0.402 7.483 4.211 1.00 0.00 C ATOM 619 O ALA A 41 -1.516 7.010 4.435 1.00 0.00 O ATOM 620 CB ALA A 41 1.061 6.576 6.025 1.00 0.00 C ATOM 0 H ALA A 41 2.607 7.845 4.533 1.00 0.00 H new ATOM 0 HA ALA A 41 0.739 5.686 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.180 6.121 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.935 5.958 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.212 7.570 6.446 1.00 0.00 H new ATOM 626 N GLN A 42 -0.221 8.695 3.694 1.00 0.00 N ATOM 627 CA GLN A 42 -1.347 9.557 3.355 1.00 0.00 C ATOM 628 C GLN A 42 -1.834 9.283 1.936 1.00 0.00 C ATOM 629 O GLN A 42 -3.024 9.063 1.708 1.00 0.00 O ATOM 630 CB GLN A 42 -0.951 11.027 3.496 1.00 0.00 C ATOM 631 CG GLN A 42 -0.514 11.408 4.902 1.00 0.00 C ATOM 632 CD GLN A 42 -0.596 12.900 5.154 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.681 13.482 5.163 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.555 13.530 5.362 1.00 0.00 N ATOM 0 H GLN A 42 0.694 9.101 3.501 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.160 9.339 4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.140 11.244 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.796 11.652 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.139 10.886 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.510 11.072 5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.432 13.009 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.562 14.535 5.538 1.00 0.00 H new ATOM 643 N THR A 43 -0.907 9.298 0.984 1.00 0.00 N ATOM 644 CA THR A 43 -1.242 9.053 -0.413 1.00 0.00 C ATOM 645 C THR A 43 -1.998 7.739 -0.575 1.00 0.00 C ATOM 646 O THR A 43 -2.680 7.523 -1.578 1.00 0.00 O ATOM 647 CB THR A 43 0.020 9.018 -1.296 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.314 9.369 -2.643 1.00 0.00 O ATOM 649 CG2 THR A 43 0.660 7.638 -1.270 1.00 0.00 C ATOM 0 H THR A 43 0.082 9.477 1.155 1.00 0.00 H new ATOM 0 HA THR A 43 -1.879 9.877 -0.734 1.00 0.00 H new ATOM 0 HB THR A 43 0.734 9.740 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.494 9.346 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.549 7.637 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.940 7.386 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.050 6.900 -1.644 1.00 0.00 H new ATOM 657 N LEU A 44 -1.874 6.865 0.417 1.00 0.00 N ATOM 658 CA LEU A 44 -2.547 5.571 0.386 1.00 0.00 C ATOM 659 C LEU A 44 -3.719 5.542 1.362 1.00 0.00 C ATOM 660 O LEU A 44 -4.637 4.734 1.222 1.00 0.00 O ATOM 661 CB LEU A 44 -1.560 4.452 0.722 1.00 0.00 C ATOM 662 CG LEU A 44 -0.231 4.480 -0.033 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.836 3.717 0.737 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.399 3.902 -1.430 1.00 0.00 C ATOM 0 H LEU A 44 -1.313 7.029 1.253 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.934 5.415 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.349 4.490 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.046 3.496 0.527 1.00 0.00 H new ATOM 0 HG LEU A 44 0.090 5.517 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.775 3.748 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.976 4.175 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.523 2.681 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.557 3.930 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.743 2.870 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.132 4.491 -1.982 1.00 0.00 H new ATOM 676 N ARG A 45 -3.680 6.430 2.350 1.00 0.00 N ATOM 677 CA ARG A 45 -4.739 6.507 3.350 1.00 0.00 C ATOM 678 C ARG A 45 -6.114 6.493 2.688 1.00 0.00 C ATOM 679 O ARG A 45 -7.029 5.811 3.150 1.00 0.00 O ATOM 680 CB ARG A 45 -4.581 7.773 4.194 1.00 0.00 C ATOM 681 CG ARG A 45 -5.662 7.940 5.250 1.00 0.00 C ATOM 682 CD ARG A 45 -5.912 9.407 5.565 1.00 0.00 C ATOM 683 NE ARG A 45 -7.173 9.607 6.274 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.679 10.804 6.549 1.00 0.00 C ATOM 685 NH1 ARG A 45 -7.035 11.902 6.176 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.832 10.905 7.197 1.00 0.00 N ATOM 0 H ARG A 45 -2.927 7.106 2.480 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.657 5.634 3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.607 7.754 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.591 8.642 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.586 7.479 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.367 7.417 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.091 9.793 6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.922 9.980 4.638 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.693 8.783 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.149 11.829 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.426 12.820 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.331 10.063 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.220 11.825 7.408 1.00 0.00 H new ATOM 700 N ASP A 46 -6.251 7.250 1.605 1.00 0.00 N ATOM 701 CA ASP A 46 -7.514 7.323 0.879 1.00 0.00 C ATOM 702 C ASP A 46 -8.016 5.929 0.519 1.00 0.00 C ATOM 703 O ASP A 46 -9.176 5.595 0.758 1.00 0.00 O ATOM 704 CB ASP A 46 -7.349 8.163 -0.389 1.00 0.00 C ATOM 705 CG ASP A 46 -6.008 7.940 -1.061 1.00 0.00 C ATOM 706 OD1 ASP A 46 -4.996 8.468 -0.555 1.00 0.00 O ATOM 707 OD2 ASP A 46 -5.971 7.238 -2.093 1.00 0.00 O ATOM 0 H ASP A 46 -5.504 7.821 1.211 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.251 7.798 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.148 7.919 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.456 9.218 -0.139 1.00 0.00 H new ATOM 712 N GLY A 47 -7.134 5.118 -0.059 1.00 0.00 N ATOM 713 CA GLY A 47 -7.507 3.770 -0.443 1.00 0.00 C ATOM 714 C GLY A 47 -7.825 3.655 -1.921 1.00 0.00 C ATOM 715 O GLY A 47 -8.586 2.780 -2.334 1.00 0.00 O ATOM 0 H GLY A 47 -6.168 5.371 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.695 3.087 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.375 3.457 0.138 1.00 0.00 H new ATOM 719 N VAL A 48 -7.242 4.542 -2.721 1.00 0.00 N ATOM 720 CA VAL A 48 -7.467 4.538 -4.161 1.00 0.00 C ATOM 721 C VAL A 48 -6.239 4.030 -4.908 1.00 0.00 C ATOM 722 O VAL A 48 -6.356 3.338 -5.920 1.00 0.00 O ATOM 723 CB VAL A 48 -7.823 5.944 -4.678 1.00 0.00 C ATOM 724 CG1 VAL A 48 -8.026 5.924 -6.186 1.00 0.00 C ATOM 725 CG2 VAL A 48 -9.063 6.473 -3.972 1.00 0.00 C ATOM 0 H VAL A 48 -6.610 5.273 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.306 3.867 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.992 6.614 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.277 6.926 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.109 5.591 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.838 5.240 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.300 7.468 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.902 5.804 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.876 6.527 -2.900 1.00 0.00 H new ATOM 735 N LEU A 49 -5.060 4.378 -4.403 1.00 0.00 N ATOM 736 CA LEU A 49 -3.808 3.957 -5.021 1.00 0.00 C ATOM 737 C LEU A 49 -3.514 2.492 -4.713 1.00 0.00 C ATOM 738 O LEU A 49 -3.256 1.696 -5.617 1.00 0.00 O ATOM 739 CB LEU A 49 -2.655 4.835 -4.532 1.00 0.00 C ATOM 740 CG LEU A 49 -1.332 4.685 -5.285 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.543 4.876 -6.779 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.304 5.676 -4.759 1.00 0.00 C ATOM 0 H LEU A 49 -4.945 4.951 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.909 4.068 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.968 5.877 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.478 4.615 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.954 3.676 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.591 4.766 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.245 4.127 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.944 5.872 -6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.631 5.555 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.675 6.692 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.130 5.492 -3.699 1.00 0.00 H new ATOM 754 N LEU A 50 -3.556 2.143 -3.432 1.00 0.00 N ATOM 755 CA LEU A 50 -3.296 0.773 -3.004 1.00 0.00 C ATOM 756 C LEU A 50 -3.925 -0.228 -3.969 1.00 0.00 C ATOM 757 O LEU A 50 -3.261 -1.151 -4.441 1.00 0.00 O ATOM 758 CB LEU A 50 -3.839 0.547 -1.592 1.00 0.00 C ATOM 759 CG LEU A 50 -2.873 0.847 -0.446 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.609 0.852 0.885 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.738 -0.166 -0.425 1.00 0.00 C ATOM 0 H LEU A 50 -3.768 2.789 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.217 0.618 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.728 1.165 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.158 -0.492 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.447 1.837 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.905 1.067 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.386 1.616 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.064 -0.124 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.061 0.064 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.147 -1.167 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.193 -0.121 -1.368 1.00 0.00 H new ATOM 773 N CYS A 51 -5.207 -0.037 -4.258 1.00 0.00 N ATOM 774 CA CYS A 51 -5.925 -0.922 -5.169 1.00 0.00 C ATOM 775 C CYS A 51 -5.222 -1.000 -6.520 1.00 0.00 C ATOM 776 O CYS A 51 -5.102 -2.075 -7.106 1.00 0.00 O ATOM 777 CB CYS A 51 -7.363 -0.436 -5.356 1.00 0.00 C ATOM 778 SG CYS A 51 -8.373 -0.522 -3.859 1.00 0.00 S ATOM 0 H CYS A 51 -5.771 0.722 -3.875 1.00 0.00 H new ATOM 0 HA CYS A 51 -5.940 -1.920 -4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.343 0.595 -5.709 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.838 -1.031 -6.136 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.428 0.653 -3.304 1.00 0.00 H new ATOM 784 N GLN A 52 -4.760 0.147 -7.007 1.00 0.00 N ATOM 785 CA GLN A 52 -4.070 0.208 -8.291 1.00 0.00 C ATOM 786 C GLN A 52 -2.848 -0.705 -8.296 1.00 0.00 C ATOM 787 O GLN A 52 -2.662 -1.504 -9.214 1.00 0.00 O ATOM 788 CB GLN A 52 -3.648 1.646 -8.599 1.00 0.00 C ATOM 789 CG GLN A 52 -4.796 2.641 -8.548 1.00 0.00 C ATOM 790 CD GLN A 52 -4.582 3.827 -9.467 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.516 4.444 -9.465 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.596 4.153 -10.260 1.00 0.00 N ATOM 0 H GLN A 52 -4.851 1.046 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.760 -0.134 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.882 1.951 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.194 1.678 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.722 2.136 -8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.918 2.997 -7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.461 3.614 -10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.509 4.942 -10.900 1.00 0.00 H new ATOM 801 N LEU A 53 -2.019 -0.581 -7.266 1.00 0.00 N ATOM 802 CA LEU A 53 -0.814 -1.395 -7.152 1.00 0.00 C ATOM 803 C LEU A 53 -1.069 -2.817 -7.640 1.00 0.00 C ATOM 804 O LEU A 53 -0.348 -3.330 -8.498 1.00 0.00 O ATOM 805 CB LEU A 53 -0.328 -1.421 -5.702 1.00 0.00 C ATOM 806 CG LEU A 53 0.743 -2.462 -5.371 1.00 0.00 C ATOM 807 CD1 LEU A 53 2.066 -2.093 -6.024 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.909 -2.597 -3.864 1.00 0.00 C ATOM 0 H LEU A 53 -2.159 0.075 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.043 -0.948 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.064 -0.435 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.188 -1.595 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 53 0.421 -3.425 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.816 -2.845 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.938 -2.049 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.394 -1.120 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.675 -3.342 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.208 -1.637 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.036 -2.909 -3.420 1.00 0.00 H new ATOM 820 N LEU A 54 -2.101 -3.449 -7.092 1.00 0.00 N ATOM 821 CA LEU A 54 -2.453 -4.813 -7.473 1.00 0.00 C ATOM 822 C LEU A 54 -2.862 -4.879 -8.941 1.00 0.00 C ATOM 823 O LEU A 54 -2.432 -5.766 -9.676 1.00 0.00 O ATOM 824 CB LEU A 54 -3.590 -5.332 -6.591 1.00 0.00 C ATOM 825 CG LEU A 54 -3.439 -5.090 -5.089 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.652 -5.616 -4.339 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.165 -5.740 -4.570 1.00 0.00 C ATOM 0 H LEU A 54 -2.709 -3.039 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.575 -5.443 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.520 -4.869 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.691 -6.404 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.370 -4.016 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.526 -5.435 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.548 -5.104 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.753 -6.687 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.074 -5.558 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.204 -6.814 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.304 -5.315 -5.085 1.00 0.00 H new ATOM 839 N ASN A 55 -3.695 -3.932 -9.361 1.00 0.00 N ATOM 840 CA ASN A 55 -4.161 -3.882 -10.742 1.00 0.00 C ATOM 841 C ASN A 55 -2.986 -3.778 -11.709 1.00 0.00 C ATOM 842 O ASN A 55 -3.106 -4.116 -12.886 1.00 0.00 O ATOM 843 CB ASN A 55 -5.105 -2.694 -10.941 1.00 0.00 C ATOM 844 CG ASN A 55 -6.348 -2.794 -10.078 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.647 -3.849 -9.519 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.080 -1.691 -9.966 1.00 0.00 N ATOM 0 H ASN A 55 -4.061 -3.189 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.700 -4.806 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.576 -1.770 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.397 -2.637 -11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.928 -1.697 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.794 -0.838 -10.447 1.00 0.00 H new ATOM 853 N ASN A 56 -1.849 -3.310 -11.203 1.00 0.00 N ATOM 854 CA ASN A 56 -0.652 -3.162 -12.022 1.00 0.00 C ATOM 855 C ASN A 56 0.077 -4.495 -12.167 1.00 0.00 C ATOM 856 O ASN A 56 0.439 -4.900 -13.272 1.00 0.00 O ATOM 857 CB ASN A 56 0.285 -2.120 -11.408 1.00 0.00 C ATOM 858 CG ASN A 56 -0.006 -0.716 -11.904 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.085 -0.476 -13.109 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.167 0.218 -10.974 1.00 0.00 N ATOM 0 H ASN A 56 -1.732 -3.027 -10.230 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.959 -2.827 -13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.191 -2.146 -10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.317 -2.379 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.365 1.181 -11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.093 -0.027 -9.987 1.00 0.00 H new ATOM 867 N LEU A 57 0.287 -5.172 -11.044 1.00 0.00 N ATOM 868 CA LEU A 57 0.972 -6.460 -11.044 1.00 0.00 C ATOM 869 C LEU A 57 0.108 -7.535 -11.697 1.00 0.00 C ATOM 870 O LEU A 57 0.559 -8.246 -12.595 1.00 0.00 O ATOM 871 CB LEU A 57 1.325 -6.873 -9.614 1.00 0.00 C ATOM 872 CG LEU A 57 1.982 -5.797 -8.749 1.00 0.00 C ATOM 873 CD1 LEU A 57 2.243 -6.326 -7.347 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.276 -5.315 -9.388 1.00 0.00 C ATOM 0 H LEU A 57 -0.007 -4.851 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 57 1.890 -6.356 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.413 -7.204 -9.117 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.993 -7.733 -9.660 1.00 0.00 H new ATOM 0 HG LEU A 57 1.299 -4.950 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.711 -5.547 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.299 -6.621 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.906 -7.189 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.730 -4.549 -8.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.964 -6.154 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.062 -4.896 -10.371 1.00 0.00 H new ATOM 886 N ARG A 58 -1.135 -7.646 -11.241 1.00 0.00 N ATOM 887 CA ARG A 58 -2.062 -8.634 -11.781 1.00 0.00 C ATOM 888 C ARG A 58 -3.230 -7.953 -12.488 1.00 0.00 C ATOM 889 O ARG A 58 -3.559 -6.803 -12.197 1.00 0.00 O ATOM 890 CB ARG A 58 -2.584 -9.539 -10.664 1.00 0.00 C ATOM 891 CG ARG A 58 -2.944 -10.939 -11.133 1.00 0.00 C ATOM 892 CD ARG A 58 -3.752 -11.687 -10.084 1.00 0.00 C ATOM 893 NE ARG A 58 -3.665 -13.135 -10.257 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.202 -13.786 -11.282 1.00 0.00 C ATOM 895 NH1 ARG A 58 -4.860 -13.122 -12.223 1.00 0.00 N ATOM 896 NH2 ARG A 58 -4.080 -15.105 -11.370 1.00 0.00 N ATOM 0 H ARG A 58 -1.524 -7.064 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.524 -9.242 -12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.828 -9.610 -9.882 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.464 -9.078 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.516 -10.878 -12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.033 -11.494 -11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.393 -11.418 -9.090 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.795 -11.377 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.164 -13.676 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.955 -12.108 -12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.271 -13.625 -13.009 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.573 -15.619 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.493 -15.604 -12.158 1.00 0.00 H new ATOM 910 N ALA A 59 -3.853 -8.671 -13.417 1.00 0.00 N ATOM 911 CA ALA A 59 -4.985 -8.137 -14.163 1.00 0.00 C ATOM 912 C ALA A 59 -6.301 -8.439 -13.455 1.00 0.00 C ATOM 913 O ALA A 59 -6.415 -9.428 -12.731 1.00 0.00 O ATOM 914 CB ALA A 59 -5.001 -8.704 -15.575 1.00 0.00 C ATOM 0 H ALA A 59 -3.592 -9.624 -13.671 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.873 -7.054 -14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.852 -8.297 -16.121 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.078 -8.432 -16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.085 -9.790 -15.530 1.00 0.00 H new ATOM 920 N HIS A 60 -7.293 -7.579 -13.667 1.00 0.00 N ATOM 921 CA HIS A 60 -8.602 -7.755 -13.048 1.00 0.00 C ATOM 922 C HIS A 60 -8.464 -8.021 -11.553 1.00 0.00 C ATOM 923 O HIS A 60 -9.204 -8.825 -10.985 1.00 0.00 O ATOM 924 CB HIS A 60 -9.356 -8.905 -13.716 1.00 0.00 C ATOM 925 CG HIS A 60 -8.784 -10.255 -13.407 1.00 0.00 C ATOM 926 ND1 HIS A 60 -9.129 -10.979 -12.285 1.00 0.00 N ATOM 927 CD2 HIS A 60 -7.888 -11.013 -14.081 1.00 0.00 C ATOM 928 CE1 HIS A 60 -8.469 -12.123 -12.281 1.00 0.00 C ATOM 929 NE2 HIS A 60 -7.709 -12.168 -13.361 1.00 0.00 N ATOM 0 H HIS A 60 -7.215 -6.754 -14.262 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.168 -6.833 -13.184 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.398 -8.879 -13.397 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.349 -8.755 -14.796 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -9.791 -10.678 -11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.404 -10.757 -15.012 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.539 -12.890 -11.524 1.00 0.00 H new ATOM 938 N SER A 61 -7.513 -7.342 -10.920 1.00 0.00 N ATOM 939 CA SER A 61 -7.275 -7.509 -9.491 1.00 0.00 C ATOM 940 C SER A 61 -8.280 -6.701 -8.675 1.00 0.00 C ATOM 941 O SER A 61 -8.688 -7.113 -7.589 1.00 0.00 O ATOM 942 CB SER A 61 -5.850 -7.080 -9.136 1.00 0.00 C ATOM 943 OG SER A 61 -4.948 -7.394 -10.183 1.00 0.00 O ATOM 0 H SER A 61 -6.894 -6.670 -11.375 1.00 0.00 H new ATOM 0 HA SER A 61 -7.400 -8.564 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.827 -6.008 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.535 -7.577 -8.219 1.00 0.00 H new ATOM 0 HG SER A 61 -4.179 -6.787 -10.146 1.00 0.00 H new ATOM 949 N ILE A 62 -8.674 -5.549 -9.207 1.00 0.00 N ATOM 950 CA ILE A 62 -9.631 -4.683 -8.530 1.00 0.00 C ATOM 951 C ILE A 62 -10.353 -3.779 -9.523 1.00 0.00 C ATOM 952 O ILE A 62 -9.722 -3.084 -10.318 1.00 0.00 O ATOM 953 CB ILE A 62 -8.943 -3.809 -7.464 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.173 -4.686 -6.474 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.971 -2.956 -6.735 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.446 -3.897 -5.408 1.00 0.00 C ATOM 0 H ILE A 62 -8.345 -5.194 -10.105 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.356 -5.335 -8.042 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.235 -3.146 -7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.868 -5.375 -5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.451 -5.292 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.470 -2.344 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.480 -2.309 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.700 -3.603 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.922 -4.582 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.726 -3.227 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.165 -3.312 -4.834 1.00 0.00 H new ATOM 968 N ASN A 63 -11.681 -3.793 -9.470 1.00 0.00 N ATOM 969 CA ASN A 63 -12.491 -2.973 -10.364 1.00 0.00 C ATOM 970 C ASN A 63 -12.498 -1.517 -9.909 1.00 0.00 C ATOM 971 O ASN A 63 -13.147 -1.166 -8.923 1.00 0.00 O ATOM 972 CB ASN A 63 -13.923 -3.508 -10.423 1.00 0.00 C ATOM 973 CG ASN A 63 -14.791 -2.729 -11.392 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.400 -1.669 -11.880 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.978 -3.253 -11.676 1.00 0.00 N ATOM 0 H ASN A 63 -12.219 -4.363 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.051 -3.022 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.904 -4.557 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.365 -3.465 -9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.606 -2.774 -12.322 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.262 -4.134 -11.248 1.00 0.00 H new ATOM 982 N LEU A 64 -11.774 -0.673 -10.636 1.00 0.00 N ATOM 983 CA LEU A 64 -11.697 0.747 -10.308 1.00 0.00 C ATOM 984 C LEU A 64 -13.084 1.317 -10.030 1.00 0.00 C ATOM 985 O LEU A 64 -13.236 2.253 -9.244 1.00 0.00 O ATOM 986 CB LEU A 64 -11.036 1.519 -11.451 1.00 0.00 C ATOM 987 CG LEU A 64 -9.575 1.172 -11.739 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.058 1.976 -12.921 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.716 1.419 -10.507 1.00 0.00 C ATOM 0 H LEU A 64 -11.232 -0.947 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.093 0.855 -9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.614 1.350 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.098 2.584 -11.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.516 0.114 -11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.017 1.715 -13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.655 1.750 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.131 3.040 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.679 1.167 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.781 2.469 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.072 0.798 -9.685 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.094 0.747 -10.678 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.470 1.195 -10.498 1.00 0.00 C ATOM 1003 C LYS A 65 -16.012 0.757 -9.141 1.00 0.00 C ATOM 1004 O LYS A 65 -16.824 1.454 -8.533 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.357 0.643 -11.616 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.821 0.917 -13.010 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.818 2.404 -13.324 1.00 0.00 C ATOM 1008 CE LYS A 65 -15.265 2.679 -14.715 1.00 0.00 C ATOM 1009 NZ LYS A 65 -15.864 3.902 -15.318 1.00 0.00 N ATOM 0 H LYS A 65 -13.985 -0.027 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.480 2.284 -10.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.467 -0.433 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.352 1.078 -11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.808 0.524 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.430 0.390 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.833 2.794 -13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.219 2.932 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.183 2.794 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.462 1.822 -15.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.462 4.055 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.894 3.782 -15.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.655 4.724 -14.716 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.557 -0.401 -8.673 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.997 -0.930 -7.387 1.00 0.00 C ATOM 1025 C GLU A 66 -15.441 -0.096 -6.236 1.00 0.00 C ATOM 1026 O GLU A 66 -15.982 -0.107 -5.130 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.557 -2.388 -7.233 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.421 -3.369 -8.008 1.00 0.00 C ATOM 1029 CD GLU A 66 -17.602 -3.871 -7.200 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -17.510 -3.875 -5.954 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -18.618 -4.259 -7.814 1.00 0.00 O ATOM 0 H GLU A 66 -14.885 -0.990 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.085 -0.880 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.524 -2.484 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.577 -2.655 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.785 -2.888 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.811 -4.217 -8.319 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.358 0.626 -6.506 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.730 1.466 -5.494 1.00 0.00 C ATOM 1040 C ILE A 67 -14.003 2.943 -5.758 1.00 0.00 C ATOM 1041 O ILE A 67 -13.824 3.428 -6.875 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.207 1.239 -5.440 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.627 1.187 -6.855 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.889 -0.042 -4.684 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.117 1.259 -6.892 1.00 0.00 C ATOM 0 H ILE A 67 -13.898 0.646 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.166 1.184 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.748 2.074 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.951 0.265 -7.338 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.036 2.012 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.809 -0.189 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.273 0.031 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.356 -0.888 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.776 1.217 -7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.786 2.193 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.699 0.419 -6.338 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.438 3.653 -4.722 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.735 5.076 -4.842 1.00 0.00 C ATOM 1059 C ASN A 68 -13.469 5.873 -5.144 1.00 0.00 C ATOM 1060 O ASN A 68 -12.674 6.158 -4.248 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.382 5.593 -3.556 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.565 4.748 -3.123 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.476 4.486 -3.909 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -16.555 4.316 -1.867 1.00 0.00 N ATOM 0 H ASN A 68 -14.593 3.267 -3.791 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.432 5.208 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.639 5.608 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.709 6.622 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.323 3.743 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.779 4.558 -1.251 1.00 0.00 H new ATOM 1071 N LEU A 69 -13.290 6.230 -6.411 1.00 0.00 N ATOM 1072 CA LEU A 69 -12.121 6.995 -6.831 1.00 0.00 C ATOM 1073 C LEU A 69 -12.107 8.372 -6.176 1.00 0.00 C ATOM 1074 O LEU A 69 -11.052 8.878 -5.793 1.00 0.00 O ATOM 1075 CB LEU A 69 -12.104 7.142 -8.354 1.00 0.00 C ATOM 1076 CG LEU A 69 -11.454 5.996 -9.131 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -12.095 5.851 -10.503 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -9.955 6.223 -9.262 1.00 0.00 C ATOM 0 H LEU A 69 -13.939 6.002 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.230 6.453 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.132 7.252 -8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.583 8.066 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.614 5.070 -8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.620 5.031 -11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.158 5.642 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.966 6.776 -11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.509 5.398 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.774 7.158 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.507 6.276 -8.270 1.00 0.00 H new ATOM 1090 N ARG A 70 -13.286 8.973 -6.049 1.00 0.00 N ATOM 1091 CA ARG A 70 -13.409 10.292 -5.439 1.00 0.00 C ATOM 1092 C ARG A 70 -14.164 10.210 -4.116 1.00 0.00 C ATOM 1093 O ARG A 70 -15.373 10.434 -4.047 1.00 0.00 O ATOM 1094 CB ARG A 70 -14.127 11.252 -6.390 1.00 0.00 C ATOM 1095 CG ARG A 70 -15.318 10.629 -7.100 1.00 0.00 C ATOM 1096 CD ARG A 70 -16.200 11.687 -7.743 1.00 0.00 C ATOM 1097 NE ARG A 70 -15.746 12.033 -9.088 1.00 0.00 N ATOM 1098 CZ ARG A 70 -14.773 12.903 -9.334 1.00 0.00 C ATOM 1099 NH1 ARG A 70 -14.153 13.511 -8.332 1.00 0.00 N ATOM 1100 NH2 ARG A 70 -14.417 13.165 -10.585 1.00 0.00 N ATOM 0 H ARG A 70 -14.169 8.568 -6.360 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.405 10.669 -5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -14.465 12.122 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -13.417 11.610 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.966 9.935 -7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.905 10.049 -6.388 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -17.227 11.324 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.206 12.582 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.201 11.582 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.423 13.311 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.406 14.179 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.891 12.698 -11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.670 13.833 -10.773 1.00 0.00 H new ATOM 1114 N PRO A 71 -13.436 9.882 -3.038 1.00 0.00 N ATOM 1115 CA PRO A 71 -14.016 9.763 -1.697 1.00 0.00 C ATOM 1116 C PRO A 71 -14.433 11.113 -1.124 1.00 0.00 C ATOM 1117 O PRO A 71 -14.904 11.197 0.010 1.00 0.00 O ATOM 1118 CB PRO A 71 -12.877 9.161 -0.870 1.00 0.00 C ATOM 1119 CG PRO A 71 -11.634 9.566 -1.586 1.00 0.00 C ATOM 1120 CD PRO A 71 -11.990 9.601 -3.046 1.00 0.00 C ATOM 0 HA PRO A 71 -14.925 9.161 -1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.887 9.540 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.963 8.076 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.288 10.542 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.827 8.858 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.433 10.373 -3.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.767 8.653 -3.537 1.00 0.00 H new ATOM 1128 N GLN A 72 -14.259 12.166 -1.916 1.00 0.00 N ATOM 1129 CA GLN A 72 -14.618 13.512 -1.486 1.00 0.00 C ATOM 1130 C GLN A 72 -14.252 13.732 -0.023 1.00 0.00 C ATOM 1131 O GLN A 72 -14.951 14.439 0.703 1.00 0.00 O ATOM 1132 CB GLN A 72 -16.115 13.753 -1.692 1.00 0.00 C ATOM 1133 CG GLN A 72 -16.619 13.321 -3.059 1.00 0.00 C ATOM 1134 CD GLN A 72 -17.874 14.060 -3.479 1.00 0.00 C ATOM 1135 OE1 GLN A 72 -17.858 15.277 -3.668 1.00 0.00 O ATOM 1136 NE2 GLN A 72 -18.972 13.327 -3.627 1.00 0.00 N ATOM 0 H GLN A 72 -13.872 12.113 -2.858 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.056 14.222 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -16.670 13.216 -0.923 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -16.326 14.814 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.838 13.490 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.820 12.250 -3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -18.940 12.321 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -19.847 13.770 -3.908 1.00 0.00 H new ATOM 1145 N MET A 73 -13.151 13.122 0.405 1.00 0.00 N ATOM 1146 CA MET A 73 -12.691 13.253 1.783 1.00 0.00 C ATOM 1147 C MET A 73 -13.758 12.769 2.760 1.00 0.00 C ATOM 1148 O MET A 73 -14.096 13.464 3.718 1.00 0.00 O ATOM 1149 CB MET A 73 -12.327 14.708 2.086 1.00 0.00 C ATOM 1150 CG MET A 73 -10.881 15.051 1.770 1.00 0.00 C ATOM 1151 SD MET A 73 -9.780 14.774 3.171 1.00 0.00 S ATOM 1152 CE MET A 73 -9.291 13.074 2.887 1.00 0.00 C ATOM 0 H MET A 73 -12.561 12.532 -0.182 1.00 0.00 H new ATOM 0 HA MET A 73 -11.804 12.632 1.904 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.981 15.365 1.512 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.518 14.910 3.140 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.545 14.450 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.818 16.095 1.464 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.250 12.941 3.182 1.00 0.00 H new ATOM 0 HE2 MET A 73 -9.923 12.410 3.477 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.402 12.835 1.829 1.00 0.00 H new ATOM 1162 N SER A 74 -14.286 11.575 2.510 1.00 0.00 N ATOM 1163 CA SER A 74 -15.317 11.001 3.366 1.00 0.00 C ATOM 1164 C SER A 74 -14.837 9.696 3.995 1.00 0.00 C ATOM 1165 O SER A 74 -14.256 8.848 3.320 1.00 0.00 O ATOM 1166 CB SER A 74 -16.596 10.753 2.563 1.00 0.00 C ATOM 1167 OG SER A 74 -17.438 11.893 2.580 1.00 0.00 O ATOM 0 H SER A 74 -14.017 10.987 1.722 1.00 0.00 H new ATOM 0 HA SER A 74 -15.529 11.712 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.340 10.501 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.129 9.897 2.977 1.00 0.00 H new ATOM 0 HG SER A 74 -18.247 11.710 2.059 1.00 0.00 H new ATOM 1173 N GLN A 75 -15.086 9.546 5.292 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.679 8.345 6.012 1.00 0.00 C ATOM 1175 C GLN A 75 -15.379 7.111 5.454 1.00 0.00 C ATOM 1176 O GLN A 75 -14.736 6.208 4.920 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.988 8.491 7.504 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.714 7.230 8.307 1.00 0.00 C ATOM 1179 CD GLN A 75 -14.793 7.463 9.803 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -14.810 8.605 10.266 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -14.842 6.380 10.570 1.00 0.00 N ATOM 0 H GLN A 75 -15.567 10.240 5.865 1.00 0.00 H new ATOM 0 HA GLN A 75 -13.604 8.220 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.393 9.308 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.035 8.768 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.432 6.460 8.024 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.724 6.850 8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.826 5.453 10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.896 6.475 11.584 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.702 7.079 5.582 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.490 5.954 5.092 1.00 0.00 C ATOM 1192 C PHE A 76 -16.898 5.397 3.800 1.00 0.00 C ATOM 1193 O PHE A 76 -16.720 4.187 3.657 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.940 6.384 4.857 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.931 5.269 5.030 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -20.072 4.634 6.254 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.722 4.857 3.971 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.983 3.607 6.416 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -21.635 3.831 4.127 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.767 3.206 5.351 1.00 0.00 C ATOM 0 H PHE A 76 -17.250 7.819 6.021 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.468 5.170 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -19.188 7.190 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.032 6.788 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.463 4.945 7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.624 5.343 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -21.082 3.118 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -22.245 3.518 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 76 -22.481 2.406 5.476 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.595 6.288 2.863 1.00 0.00 N ATOM 1211 CA LEU A 77 -16.023 5.887 1.582 1.00 0.00 C ATOM 1212 C LEU A 77 -14.573 5.445 1.748 1.00 0.00 C ATOM 1213 O LEU A 77 -14.213 4.319 1.402 1.00 0.00 O ATOM 1214 CB LEU A 77 -16.106 7.040 0.581 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.492 7.651 0.373 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -17.448 8.719 -0.709 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.503 6.571 0.019 1.00 0.00 C ATOM 0 H LEU A 77 -16.736 7.293 2.966 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.599 5.043 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.429 7.829 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.739 6.685 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.804 8.121 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.443 9.142 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.755 9.507 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.114 8.274 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.484 7.024 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -18.195 6.071 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.555 5.842 0.828 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.745 6.338 2.281 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.334 6.040 2.495 1.00 0.00 C ATOM 1231 C CYS A 78 -12.156 4.647 3.091 1.00 0.00 C ATOM 1232 O CYS A 78 -11.492 3.790 2.506 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.704 7.086 3.415 1.00 0.00 C ATOM 1234 SG CYS A 78 -9.896 7.093 3.397 1.00 0.00 S ATOM 0 H CYS A 78 -14.027 7.274 2.572 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.832 6.068 1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.063 8.073 3.124 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -12.046 6.910 4.435 1.00 0.00 H new ATOM 0 HG CYS A 78 -9.451 7.241 4.609 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.751 4.429 4.258 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.658 3.140 4.935 1.00 0.00 C ATOM 1242 C LEU A 79 -12.923 1.994 3.964 1.00 0.00 C ATOM 1243 O LEU A 79 -12.072 1.127 3.762 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.651 3.079 6.097 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.132 3.565 7.450 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.241 3.534 8.491 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.950 2.720 7.903 1.00 0.00 C ATOM 0 H LEU A 79 -13.303 5.128 4.755 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.645 3.035 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.526 3.672 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.986 2.048 6.208 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.795 4.596 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.852 3.883 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.057 4.182 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.609 2.514 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.594 3.080 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.261 1.680 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.147 2.794 7.169 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.108 1.997 3.363 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.485 0.960 2.410 1.00 0.00 C ATOM 1261 C LYS A 80 -13.400 0.769 1.355 1.00 0.00 C ATOM 1262 O LYS A 80 -12.890 -0.334 1.169 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.811 1.318 1.733 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.579 0.111 1.224 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.047 -0.364 -0.118 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.512 0.537 -1.252 1.00 0.00 C ATOM 1267 NZ LYS A 80 -17.912 0.235 -1.661 1.00 0.00 N ATOM 0 H LYS A 80 -14.824 2.706 3.519 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.604 0.025 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.435 1.863 2.441 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.613 1.991 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.510 -0.698 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.635 0.364 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.958 -0.385 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.381 -1.385 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.441 1.579 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.849 0.415 -2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.192 0.870 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.975 -0.752 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.549 0.376 -0.851 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.050 1.853 0.669 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.024 1.804 -0.366 1.00 0.00 C ATOM 1283 C ASN A 81 -10.901 0.850 0.026 1.00 0.00 C ATOM 1284 O ASN A 81 -10.515 -0.024 -0.752 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.456 3.203 -0.616 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.445 4.111 -1.321 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.564 3.705 -1.634 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.034 5.348 -1.576 1.00 0.00 N ATOM 0 H ASN A 81 -13.462 2.775 0.811 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.485 1.437 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.170 3.651 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.550 3.122 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.655 6.004 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.097 5.642 -1.298 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.381 1.022 1.237 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.303 0.175 1.732 1.00 0.00 C ATOM 1297 C ILE A 82 -9.736 -1.286 1.793 1.00 0.00 C ATOM 1298 O ILE A 82 -8.952 -2.189 1.502 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.836 0.619 3.131 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.360 2.073 3.096 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.729 -0.295 3.634 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.480 2.780 4.428 1.00 0.00 C ATOM 0 H ILE A 82 -10.689 1.740 1.893 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.474 0.277 1.032 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.679 0.549 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.319 2.099 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.939 2.619 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.409 0.031 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.100 -1.318 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.883 -0.254 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.125 3.806 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.523 2.786 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.879 2.258 5.172 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.990 -1.511 2.172 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.528 -2.862 2.271 1.00 0.00 C ATOM 1316 C ARG A 83 -11.209 -3.667 1.015 1.00 0.00 C ATOM 1317 O ARG A 83 -10.504 -4.675 1.072 1.00 0.00 O ATOM 1318 CB ARG A 83 -13.041 -2.816 2.490 1.00 0.00 C ATOM 1319 CG ARG A 83 -13.458 -1.983 3.690 1.00 0.00 C ATOM 1320 CD ARG A 83 -13.095 -2.668 4.998 1.00 0.00 C ATOM 1321 NE ARG A 83 -13.941 -2.225 6.102 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.253 -2.427 6.150 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -15.865 -3.063 5.161 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -15.955 -1.994 7.189 1.00 0.00 N ATOM 0 H ARG A 83 -11.652 -0.775 2.416 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.059 -3.352 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.517 -2.413 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.412 -3.833 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.974 -1.007 3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.533 -1.808 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.189 -3.747 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.051 -2.463 5.237 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.500 -1.733 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.328 -3.398 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.873 -3.217 5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.487 -1.505 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.962 -2.150 7.224 1.00 0.00 H new ATOM 1338 N THR A 84 -11.734 -3.216 -0.121 1.00 0.00 N ATOM 1339 CA THR A 84 -11.507 -3.894 -1.390 1.00 0.00 C ATOM 1340 C THR A 84 -10.070 -4.393 -1.498 1.00 0.00 C ATOM 1341 O THR A 84 -9.827 -5.593 -1.629 1.00 0.00 O ATOM 1342 CB THR A 84 -11.807 -2.967 -2.584 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.053 -2.291 -2.378 1.00 0.00 O ATOM 1344 CG2 THR A 84 -11.863 -3.758 -3.882 1.00 0.00 C ATOM 0 H THR A 84 -12.320 -2.383 -0.187 1.00 0.00 H new ATOM 0 HA THR A 84 -12.188 -4.745 -1.419 1.00 0.00 H new ATOM 0 HB THR A 84 -11.004 -2.234 -2.658 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.315 -1.829 -3.202 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.076 -3.083 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.904 -4.248 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.649 -4.510 -3.816 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.121 -3.465 -1.442 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.707 -3.811 -1.533 1.00 0.00 C ATOM 1354 C PHE A 85 -7.385 -5.018 -0.657 1.00 0.00 C ATOM 1355 O PHE A 85 -6.782 -5.989 -1.116 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.841 -2.620 -1.119 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.411 -2.987 -0.839 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.496 -3.100 -1.873 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.983 -3.219 0.458 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.180 -3.438 -1.618 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.669 -3.557 0.720 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.766 -3.666 -0.320 1.00 0.00 C ATOM 0 H PHE A 85 -9.305 -2.468 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.487 -4.068 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.867 -1.870 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.271 -2.160 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.814 -2.922 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.685 -3.135 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.476 -3.524 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.349 -3.736 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.738 -3.929 -0.118 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.790 -4.950 0.606 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.545 -6.036 1.548 1.00 0.00 C ATOM 1374 C LEU A 86 -8.240 -7.317 1.096 1.00 0.00 C ATOM 1375 O LEU A 86 -7.780 -8.422 1.386 1.00 0.00 O ATOM 1376 CB LEU A 86 -8.030 -5.645 2.945 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.519 -4.309 3.484 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -8.314 -3.888 4.710 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -6.036 -4.399 3.813 1.00 0.00 C ATOM 0 H LEU A 86 -8.290 -4.154 1.002 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.471 -6.220 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.120 -5.617 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.738 -6.431 3.642 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.654 -3.552 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.936 -2.935 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.365 -3.782 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.212 -4.645 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.689 -3.439 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.877 -5.169 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.478 -4.653 2.912 1.00 0.00 H new ATOM 1391 N THR A 87 -9.349 -7.161 0.380 1.00 0.00 N ATOM 1392 CA THR A 87 -10.107 -8.303 -0.114 1.00 0.00 C ATOM 1393 C THR A 87 -9.402 -8.962 -1.294 1.00 0.00 C ATOM 1394 O THR A 87 -9.306 -10.187 -1.367 1.00 0.00 O ATOM 1395 CB THR A 87 -11.528 -7.892 -0.544 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.168 -7.165 0.511 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.360 -9.114 -0.902 1.00 0.00 C ATOM 0 H THR A 87 -9.742 -6.254 0.129 1.00 0.00 H new ATOM 0 HA THR A 87 -10.176 -9.015 0.708 1.00 0.00 H new ATOM 0 HB THR A 87 -11.447 -7.256 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.705 -6.312 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.359 -8.799 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.886 -9.649 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.432 -9.772 -0.036 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.909 -8.142 -2.216 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.210 -8.645 -3.391 1.00 0.00 C ATOM 1407 C ALA A 88 -6.894 -9.312 -3.004 1.00 0.00 C ATOM 1408 O ALA A 88 -6.351 -10.120 -3.758 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.961 -7.517 -4.381 1.00 0.00 C ATOM 0 H ALA A 88 -8.981 -7.126 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.842 -9.396 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.438 -7.908 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.914 -7.088 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.352 -6.746 -3.909 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.387 -8.968 -1.826 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.133 -9.533 -1.339 1.00 0.00 C ATOM 1417 C CYS A 89 -5.292 -11.015 -1.019 1.00 0.00 C ATOM 1418 O CYS A 89 -4.306 -11.742 -0.888 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.658 -8.778 -0.096 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.741 -7.263 -0.458 1.00 0.00 S ATOM 0 H CYS A 89 -6.824 -8.301 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.386 -9.428 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.524 -8.528 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.027 -9.439 0.498 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.573 -6.322 -0.793 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.539 -11.457 -0.893 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.827 -12.853 -0.585 1.00 0.00 C ATOM 1428 C CYS A 90 -7.685 -13.485 -1.677 1.00 0.00 C ATOM 1429 O CYS A 90 -7.761 -14.708 -1.790 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.537 -12.964 0.765 1.00 0.00 C ATOM 1431 SG CYS A 90 -8.080 -14.638 1.179 1.00 0.00 S ATOM 0 H CYS A 90 -7.366 -10.869 -0.999 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.880 -13.390 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -6.866 -12.608 1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.403 -12.303 0.763 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.167 -15.347 0.093 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.329 -12.641 -2.478 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.184 -13.118 -3.559 1.00 0.00 C ATOM 1439 C GLU A 91 -8.416 -13.168 -4.877 1.00 0.00 C ATOM 1440 O GLU A 91 -8.521 -14.133 -5.635 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.411 -12.215 -3.705 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.355 -12.276 -2.516 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.408 -13.358 -2.662 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -13.384 -13.140 -3.410 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -12.255 -14.423 -2.027 1.00 0.00 O ATOM 0 H GLU A 91 -8.275 -11.626 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.512 -14.127 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.080 -11.186 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.955 -12.498 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.779 -12.455 -1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.846 -11.310 -2.397 1.00 0.00 H new ATOM 1452 N THR A 92 -7.644 -12.120 -5.146 1.00 0.00 N ATOM 1453 CA THR A 92 -6.860 -12.042 -6.372 1.00 0.00 C ATOM 1454 C THR A 92 -5.529 -12.769 -6.220 1.00 0.00 C ATOM 1455 O THR A 92 -5.114 -13.517 -7.106 1.00 0.00 O ATOM 1456 CB THR A 92 -6.590 -10.580 -6.775 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.829 -9.887 -6.962 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.768 -10.513 -8.053 1.00 0.00 C ATOM 0 H THR A 92 -7.545 -11.313 -4.530 1.00 0.00 H new ATOM 0 HA THR A 92 -7.447 -12.524 -7.154 1.00 0.00 H new ATOM 0 HB THR A 92 -6.025 -10.104 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.650 -8.941 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.590 -9.471 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.813 -11.016 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.310 -11.005 -8.861 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.863 -12.545 -5.092 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.577 -13.180 -4.825 1.00 0.00 C ATOM 1468 C PHE A 93 -3.752 -14.413 -3.944 1.00 0.00 C ATOM 1469 O PHE A 93 -3.430 -15.529 -4.348 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.626 -12.189 -4.151 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.120 -11.120 -5.077 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -2.957 -10.103 -5.506 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.806 -11.133 -5.519 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.494 -9.117 -6.358 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.338 -10.150 -6.371 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.183 -9.142 -6.792 1.00 0.00 C ATOM 0 H PHE A 93 -5.192 -11.929 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.150 -13.493 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.139 -11.719 -3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.777 -12.735 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.983 -10.080 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.141 -11.919 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.157 -8.329 -6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.688 -10.170 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.819 -8.375 -7.459 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.265 -14.202 -2.735 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.473 -15.304 -1.815 1.00 0.00 C ATOM 1488 C GLY A 94 -3.376 -15.407 -0.774 1.00 0.00 C ATOM 1489 O GLY A 94 -2.636 -16.389 -0.738 1.00 0.00 O ATOM 0 H GLY A 94 -4.540 -13.287 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.433 -15.179 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.525 -16.237 -2.377 1.00 0.00 H new ATOM 1493 N MET A 95 -3.269 -14.388 0.073 1.00 0.00 N ATOM 1494 CA MET A 95 -2.252 -14.368 1.118 1.00 0.00 C ATOM 1495 C MET A 95 -2.887 -14.523 2.496 1.00 0.00 C ATOM 1496 O MET A 95 -4.102 -14.686 2.616 1.00 0.00 O ATOM 1497 CB MET A 95 -1.452 -13.065 1.056 1.00 0.00 C ATOM 1498 CG MET A 95 -2.222 -11.854 1.559 1.00 0.00 C ATOM 1499 SD MET A 95 -1.139 -10.515 2.091 1.00 0.00 S ATOM 1500 CE MET A 95 -0.595 -9.871 0.510 1.00 0.00 C ATOM 0 H MET A 95 -3.873 -13.566 0.056 1.00 0.00 H new ATOM 0 HA MET A 95 -1.578 -15.208 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.543 -13.178 1.647 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.143 -12.887 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.879 -11.492 0.768 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.859 -12.153 2.391 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.612 -8.781 0.536 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.420 -10.213 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.261 -10.226 -0.276 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.059 -14.471 3.534 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.540 -14.608 4.904 1.00 0.00 C ATOM 1512 C ARG A 96 -3.367 -13.393 5.313 1.00 0.00 C ATOM 1513 O ARG A 96 -2.824 -12.369 5.727 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.363 -14.784 5.865 1.00 0.00 C ATOM 1515 CG ARG A 96 -0.558 -16.049 5.617 1.00 0.00 C ATOM 1516 CD ARG A 96 0.513 -15.830 4.560 1.00 0.00 C ATOM 1517 NE ARG A 96 1.562 -16.844 4.624 1.00 0.00 N ATOM 1518 CZ ARG A 96 1.395 -18.099 4.223 1.00 0.00 C ATOM 1519 NH1 ARG A 96 0.229 -18.493 3.732 1.00 0.00 N ATOM 1520 NH2 ARG A 96 2.398 -18.964 4.314 1.00 0.00 N ATOM 0 H ARG A 96 -1.051 -14.335 3.453 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.175 -15.492 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.703 -13.921 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.739 -14.798 6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.092 -16.373 6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.226 -16.850 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.055 -15.845 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.955 -14.842 4.691 1.00 0.00 H new ATOM 0 HE ARG A 96 2.472 -16.574 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.544 -17.832 3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.105 -19.458 3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.297 -18.665 4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.270 -19.928 4.006 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.685 -13.514 5.193 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.589 -12.427 5.550 1.00 0.00 C ATOM 1536 C LYS A 97 -5.232 -11.849 6.916 1.00 0.00 C ATOM 1537 O LYS A 97 -5.612 -10.724 7.243 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.037 -12.922 5.557 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.732 -12.790 4.214 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.234 -12.626 4.376 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.873 -12.059 3.118 1.00 0.00 C ATOM 1542 NZ LYS A 97 -11.252 -11.559 3.373 1.00 0.00 N ATOM 0 H LYS A 97 -5.151 -14.354 4.851 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.484 -11.640 4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.053 -13.968 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.600 -12.362 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.327 -11.932 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.525 -13.672 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.683 -13.591 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.440 -11.966 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.257 -11.246 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.903 -12.829 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.653 -11.181 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.847 -12.340 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.221 -10.806 4.090 1.00 0.00 H new ATOM 1556 N SER A 98 -4.498 -12.623 7.708 1.00 0.00 N ATOM 1557 CA SER A 98 -4.091 -12.188 9.039 1.00 0.00 C ATOM 1558 C SER A 98 -2.921 -11.212 8.957 1.00 0.00 C ATOM 1559 O SER A 98 -2.845 -10.254 9.726 1.00 0.00 O ATOM 1560 CB SER A 98 -3.704 -13.395 9.896 1.00 0.00 C ATOM 1561 OG SER A 98 -4.854 -14.083 10.357 1.00 0.00 O ATOM 0 H SER A 98 -4.173 -13.555 7.451 1.00 0.00 H new ATOM 0 HA SER A 98 -4.935 -11.678 9.502 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.080 -14.073 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.108 -13.065 10.747 1.00 0.00 H new ATOM 0 HG SER A 98 -4.580 -14.851 10.901 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.013 -11.463 8.019 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.847 -10.607 7.838 1.00 0.00 C ATOM 1569 C GLU A 99 -1.266 -9.195 7.438 1.00 0.00 C ATOM 1570 O GLU A 99 -0.585 -8.219 7.758 1.00 0.00 O ATOM 1571 CB GLU A 99 0.085 -11.194 6.776 1.00 0.00 C ATOM 1572 CG GLU A 99 -0.212 -10.705 5.368 1.00 0.00 C ATOM 1573 CD GLU A 99 0.673 -11.359 4.325 1.00 0.00 C ATOM 1574 OE1 GLU A 99 0.412 -12.529 3.975 1.00 0.00 O ATOM 1575 OE2 GLU A 99 1.626 -10.701 3.858 1.00 0.00 O ATOM 0 H GLU A 99 -2.063 -12.251 7.374 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.316 -10.555 8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.115 -10.942 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.008 -12.281 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.257 -10.906 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.078 -9.624 5.327 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.389 -9.094 6.736 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.900 -7.802 6.291 1.00 0.00 C ATOM 1584 C LEU A 100 -3.005 -6.826 7.459 1.00 0.00 C ATOM 1585 O LEU A 100 -2.926 -7.223 8.622 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.268 -7.973 5.629 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.382 -9.103 4.606 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.801 -9.194 4.067 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.390 -8.897 3.471 1.00 0.00 C ATOM 0 H LEU A 100 -2.963 -9.891 6.463 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.200 -7.393 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.009 -8.141 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.531 -7.037 5.137 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.144 -10.043 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.863 -10.004 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.490 -9.390 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.068 -8.253 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.485 -9.711 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.597 -7.949 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.376 -8.884 3.872 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.187 -5.549 7.142 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.305 -4.516 8.165 1.00 0.00 C ATOM 1603 C PHE A 101 -4.768 -4.159 8.410 1.00 0.00 C ATOM 1604 O PHE A 101 -5.646 -4.527 7.631 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.526 -3.267 7.751 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.957 -2.702 6.428 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -4.050 -1.854 6.345 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.271 -3.019 5.267 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.450 -1.332 5.129 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.666 -2.500 4.048 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.757 -1.657 3.979 1.00 0.00 C ATOM 0 H PHE A 101 -3.256 -5.204 6.185 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.884 -4.907 9.091 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.645 -2.503 8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.464 -3.510 7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.596 -1.598 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.418 -3.679 5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.303 -0.671 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.122 -2.754 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.068 -1.252 3.027 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.021 -3.439 9.499 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.377 -3.033 9.848 1.00 0.00 C ATOM 1623 C GLU A 102 -6.794 -1.794 9.061 1.00 0.00 C ATOM 1624 O GLU A 102 -6.054 -0.814 8.989 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.480 -2.756 11.349 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.608 -4.012 12.194 1.00 0.00 C ATOM 1627 CD GLU A 102 -7.666 -4.963 11.668 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -7.330 -5.817 10.822 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -8.831 -4.852 12.105 1.00 0.00 O ATOM 0 H GLU A 102 -4.305 -3.125 10.154 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.051 -3.850 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.597 -2.202 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.342 -2.115 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.647 -4.525 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.853 -3.733 13.219 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.984 -1.848 8.471 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.500 -0.730 7.690 1.00 0.00 C ATOM 1638 C ALA A 103 -8.304 0.591 8.426 1.00 0.00 C ATOM 1639 O ALA A 103 -8.020 1.619 7.812 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.972 -0.945 7.370 1.00 0.00 C ATOM 0 H ALA A 103 -8.608 -2.653 8.519 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.940 -0.682 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.344 -0.103 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.089 -1.864 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.539 -1.022 8.298 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.458 0.556 9.746 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.299 1.751 10.565 1.00 0.00 C ATOM 1648 C PHE A 104 -6.830 2.153 10.663 1.00 0.00 C ATOM 1649 O PHE A 104 -6.472 3.303 10.410 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.869 1.515 11.966 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.283 2.778 12.666 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.495 3.382 12.374 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.459 3.361 13.615 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.879 4.544 13.017 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.838 4.522 14.261 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.049 5.115 13.961 1.00 0.00 C ATOM 0 H PHE A 104 -8.693 -0.287 10.270 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.848 2.563 10.088 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.730 0.851 11.892 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.122 1.002 12.572 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.147 2.940 11.636 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.510 2.903 13.852 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.827 5.005 12.781 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.188 4.966 15.000 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.346 6.023 14.464 1.00 0.00 H new ATOM 1666 N ASP A 105 -5.985 1.197 11.033 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.555 1.450 11.164 1.00 0.00 C ATOM 1668 C ASP A 105 -4.065 2.386 10.064 1.00 0.00 C ATOM 1669 O ASP A 105 -3.288 3.308 10.319 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.777 0.134 11.115 1.00 0.00 C ATOM 1671 CG ASP A 105 -2.294 0.347 10.882 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -1.936 0.951 9.848 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -1.491 -0.090 11.732 1.00 0.00 O ATOM 0 H ASP A 105 -6.265 0.240 11.247 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.383 1.930 12.127 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.921 -0.405 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.180 -0.494 10.320 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.524 2.144 8.841 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.132 2.965 7.701 1.00 0.00 C ATOM 1680 C LEU A 106 -4.917 4.273 7.676 1.00 0.00 C ATOM 1681 O LEU A 106 -4.338 5.355 7.575 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.353 2.199 6.396 1.00 0.00 C ATOM 1683 CG LEU A 106 -3.934 2.921 5.114 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.418 2.982 5.007 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.529 2.232 3.895 1.00 0.00 C ATOM 0 H LEU A 106 -5.168 1.386 8.614 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.073 3.201 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.807 1.257 6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.411 1.950 6.319 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.316 3.941 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.139 3.499 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.014 3.521 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.013 1.970 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.220 2.759 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.177 1.201 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.617 2.241 3.967 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.238 4.166 7.771 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.103 5.339 7.760 1.00 0.00 C ATOM 1699 C PHE A 107 -6.587 6.404 8.724 1.00 0.00 C ATOM 1700 O PHE A 107 -6.291 7.530 8.322 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.534 4.948 8.134 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.535 6.043 7.902 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.508 6.789 6.735 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.504 6.327 8.852 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.428 7.798 6.519 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.426 7.335 8.642 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.389 8.070 7.473 1.00 0.00 C ATOM 0 H PHE A 107 -6.733 3.278 7.857 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.099 5.753 6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.826 4.072 7.555 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.560 4.659 9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.759 6.580 5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.539 5.754 9.767 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.395 8.373 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.174 7.548 9.391 1.00 0.00 H new ATOM 0 HZ PHE A 107 -12.110 8.856 7.305 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.482 6.040 9.997 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.001 6.963 11.019 1.00 0.00 C ATOM 1719 C ASP A 108 -4.477 7.014 11.031 1.00 0.00 C ATOM 1720 O ASP A 108 -3.879 7.887 11.661 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.522 6.549 12.396 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.758 7.737 13.307 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.561 8.618 12.936 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -6.140 7.786 14.391 1.00 0.00 O ATOM 0 H ASP A 108 -6.723 5.113 10.346 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.377 7.958 10.782 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.453 5.995 12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.806 5.873 12.864 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.852 6.070 10.333 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.397 6.007 10.263 1.00 0.00 C ATOM 1731 C VAL A 109 -1.797 5.656 11.620 1.00 0.00 C ATOM 1732 O VAL A 109 -0.755 6.187 12.005 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.800 7.342 9.779 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.378 7.140 9.277 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.675 7.955 8.697 1.00 0.00 C ATOM 0 H VAL A 109 -4.331 5.338 9.808 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.148 5.225 9.545 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.767 8.033 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.028 8.094 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.241 6.748 10.084 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.382 6.433 8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.238 8.898 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.742 7.270 7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.673 8.137 9.096 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.462 4.759 12.340 1.00 0.00 N ATOM 1746 CA ARG A 110 -1.994 4.337 13.655 1.00 0.00 C ATOM 1747 C ARG A 110 -0.604 3.715 13.564 1.00 0.00 C ATOM 1748 O ARG A 110 0.356 4.229 14.138 1.00 0.00 O ATOM 1749 CB ARG A 110 -2.973 3.336 14.271 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.419 3.803 14.245 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.768 4.606 15.488 1.00 0.00 C ATOM 1752 NE ARG A 110 -5.030 3.746 16.639 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.989 4.169 17.898 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -4.698 5.435 18.165 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -5.239 3.326 18.891 1.00 0.00 N ATOM 0 H ARG A 110 -3.326 4.311 12.035 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.937 5.219 14.293 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.896 2.389 13.736 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.681 3.143 15.303 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.590 4.412 13.357 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.080 2.939 14.171 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.949 5.286 15.722 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.645 5.221 15.288 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.257 2.767 16.467 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.505 6.086 17.403 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.667 5.758 19.132 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.463 2.352 18.689 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.207 3.652 19.857 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.504 2.605 12.841 1.00 0.00 N ATOM 1770 CA ASP A 111 0.768 1.913 12.674 1.00 0.00 C ATOM 1771 C ASP A 111 1.014 1.573 11.207 1.00 0.00 C ATOM 1772 O ASP A 111 0.603 0.516 10.727 1.00 0.00 O ATOM 1773 CB ASP A 111 0.793 0.637 13.517 1.00 0.00 C ATOM 1774 CG ASP A 111 1.180 0.903 14.958 1.00 0.00 C ATOM 1775 OD1 ASP A 111 0.303 1.326 15.739 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.361 0.688 15.305 1.00 0.00 O ATOM 0 H ASP A 111 -1.289 2.165 12.361 1.00 0.00 H new ATOM 0 HA ASP A 111 1.562 2.579 13.012 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.190 0.167 13.489 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.497 -0.070 13.079 1.00 0.00 H new ATOM 1781 N PHE A 112 1.685 2.475 10.500 1.00 0.00 N ATOM 1782 CA PHE A 112 1.984 2.272 9.087 1.00 0.00 C ATOM 1783 C PHE A 112 2.870 1.046 8.889 1.00 0.00 C ATOM 1784 O PHE A 112 2.722 0.311 7.914 1.00 0.00 O ATOM 1785 CB PHE A 112 2.670 3.510 8.506 1.00 0.00 C ATOM 1786 CG PHE A 112 2.744 3.506 7.006 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.611 3.272 6.244 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.947 3.738 6.358 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.676 3.267 4.864 1.00 0.00 C ATOM 1790 CE2 PHE A 112 4.018 3.734 4.977 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.881 3.500 4.230 1.00 0.00 C ATOM 0 H PHE A 112 2.033 3.355 10.882 1.00 0.00 H new ATOM 0 HA PHE A 112 1.043 2.107 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.133 4.400 8.833 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.679 3.580 8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.666 3.091 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.839 3.924 6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.786 3.081 4.282 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.962 3.914 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.933 3.499 3.151 1.00 0.00 H new ATOM 1801 N GLY A 113 3.792 0.832 9.823 1.00 0.00 N ATOM 1802 CA GLY A 113 4.689 -0.305 9.733 1.00 0.00 C ATOM 1803 C GLY A 113 3.963 -1.590 9.389 1.00 0.00 C ATOM 1804 O GLY A 113 4.488 -2.433 8.661 1.00 0.00 O ATOM 0 H GLY A 113 3.934 1.426 10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.448 -0.106 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.210 -0.429 10.682 1.00 0.00 H new ATOM 1808 N LYS A 114 2.752 -1.743 9.915 1.00 0.00 N ATOM 1809 CA LYS A 114 1.952 -2.935 9.660 1.00 0.00 C ATOM 1810 C LYS A 114 1.519 -2.997 8.199 1.00 0.00 C ATOM 1811 O LYS A 114 1.472 -4.072 7.600 1.00 0.00 O ATOM 1812 CB LYS A 114 0.721 -2.951 10.570 1.00 0.00 C ATOM 1813 CG LYS A 114 1.042 -3.251 12.023 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.218 -3.336 12.867 1.00 0.00 C ATOM 1815 CE LYS A 114 0.106 -3.353 14.353 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.105 -3.605 15.182 1.00 0.00 N ATOM 0 H LYS A 114 2.303 -1.056 10.521 1.00 0.00 H new ATOM 0 HA LYS A 114 2.567 -3.809 9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.222 -1.984 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.017 -3.697 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.589 -4.191 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.695 -2.474 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.864 -2.487 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.773 -4.237 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.850 -4.124 14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.550 -2.399 14.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.842 -3.609 16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.805 -2.856 15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.514 -4.527 14.928 1.00 0.00 H new ATOM 1830 N VAL A 115 1.203 -1.838 7.630 1.00 0.00 N ATOM 1831 CA VAL A 115 0.776 -1.761 6.238 1.00 0.00 C ATOM 1832 C VAL A 115 1.934 -2.056 5.291 1.00 0.00 C ATOM 1833 O VAL A 115 1.756 -2.709 4.262 1.00 0.00 O ATOM 1834 CB VAL A 115 0.196 -0.374 5.905 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.419 -0.372 4.514 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.829 0.039 6.950 1.00 0.00 C ATOM 0 H VAL A 115 1.235 -0.939 8.112 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.001 -2.514 6.103 1.00 0.00 H new ATOM 0 HB VAL A 115 1.008 0.353 5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.824 0.616 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.345 -0.621 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.220 -1.110 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.229 1.022 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.641 -0.688 6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.353 0.080 7.930 1.00 0.00 H new ATOM 1846 N ILE A 116 3.119 -1.571 5.645 1.00 0.00 N ATOM 1847 CA ILE A 116 4.307 -1.785 4.828 1.00 0.00 C ATOM 1848 C ILE A 116 4.651 -3.267 4.735 1.00 0.00 C ATOM 1849 O ILE A 116 4.887 -3.793 3.648 1.00 0.00 O ATOM 1850 CB ILE A 116 5.521 -1.021 5.388 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.192 0.466 5.534 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.731 -1.216 4.487 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.358 1.298 6.022 1.00 0.00 C ATOM 0 H ILE A 116 3.282 -1.027 6.492 1.00 0.00 H new ATOM 0 HA ILE A 116 4.077 -1.405 3.832 1.00 0.00 H new ATOM 0 HB ILE A 116 5.759 -1.419 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.858 0.852 4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.360 0.579 6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.581 -0.670 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.975 -2.277 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.505 -0.841 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.052 2.341 6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.678 0.938 7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.185 1.215 5.316 1.00 0.00 H new ATOM 1865 N GLU A 117 4.677 -3.936 5.884 1.00 0.00 N ATOM 1866 CA GLU A 117 4.991 -5.359 5.931 1.00 0.00 C ATOM 1867 C GLU A 117 4.132 -6.140 4.941 1.00 0.00 C ATOM 1868 O GLU A 117 4.637 -6.965 4.178 1.00 0.00 O ATOM 1869 CB GLU A 117 4.781 -5.904 7.346 1.00 0.00 C ATOM 1870 CG GLU A 117 5.366 -7.290 7.558 1.00 0.00 C ATOM 1871 CD GLU A 117 6.883 -7.286 7.576 1.00 0.00 C ATOM 1872 OE1 GLU A 117 7.470 -6.230 7.892 1.00 0.00 O ATOM 1873 OE2 GLU A 117 7.482 -8.339 7.274 1.00 0.00 O ATOM 0 H GLU A 117 4.485 -3.516 6.793 1.00 0.00 H new ATOM 0 HA GLU A 117 6.038 -5.483 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.231 -5.216 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.713 -5.933 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.996 -7.696 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.017 -7.953 6.766 1.00 0.00 H new ATOM 1880 N THR A 118 2.830 -5.874 4.958 1.00 0.00 N ATOM 1881 CA THR A 118 1.900 -6.552 4.064 1.00 0.00 C ATOM 1882 C THR A 118 2.460 -6.638 2.649 1.00 0.00 C ATOM 1883 O THR A 118 2.386 -7.684 2.003 1.00 0.00 O ATOM 1884 CB THR A 118 0.537 -5.834 4.022 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.033 -5.661 5.351 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.465 -6.624 3.193 1.00 0.00 C ATOM 0 H THR A 118 2.396 -5.194 5.581 1.00 0.00 H new ATOM 0 HA THR A 118 1.761 -7.559 4.458 1.00 0.00 H new ATOM 0 HB THR A 118 0.679 -4.858 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.079 -6.537 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.420 -6.098 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.092 -6.729 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.602 -7.612 3.633 1.00 0.00 H new ATOM 1894 N LEU A 119 3.022 -5.532 2.173 1.00 0.00 N ATOM 1895 CA LEU A 119 3.597 -5.482 0.833 1.00 0.00 C ATOM 1896 C LEU A 119 4.879 -6.305 0.760 1.00 0.00 C ATOM 1897 O LEU A 119 5.092 -7.059 -0.190 1.00 0.00 O ATOM 1898 CB LEU A 119 3.884 -4.034 0.433 1.00 0.00 C ATOM 1899 CG LEU A 119 2.819 -3.007 0.821 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.302 -1.597 0.518 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.513 -3.293 0.094 1.00 0.00 C ATOM 0 H LEU A 119 3.092 -4.658 2.695 1.00 0.00 H new ATOM 0 HA LEU A 119 2.873 -5.908 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.830 -3.734 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.019 -3.997 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 119 2.640 -3.085 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.531 -0.880 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.211 -1.394 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.510 -1.505 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.767 -2.553 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.677 -3.243 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.158 -4.289 0.361 1.00 0.00 H new ATOM 1913 N SER A 120 5.730 -6.158 1.771 1.00 0.00 N ATOM 1914 CA SER A 120 6.992 -6.886 1.820 1.00 0.00 C ATOM 1915 C SER A 120 6.787 -8.353 1.455 1.00 0.00 C ATOM 1916 O SER A 120 7.684 -9.001 0.914 1.00 0.00 O ATOM 1917 CB SER A 120 7.614 -6.777 3.214 1.00 0.00 C ATOM 1918 OG SER A 120 8.464 -5.647 3.306 1.00 0.00 O ATOM 0 H SER A 120 5.568 -5.541 2.567 1.00 0.00 H new ATOM 0 HA SER A 120 7.669 -6.440 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.825 -6.705 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.181 -7.681 3.434 1.00 0.00 H new ATOM 0 HG SER A 120 8.784 -5.405 2.412 1.00 0.00 H new ATOM 1924 N ARG A 121 5.601 -8.871 1.756 1.00 0.00 N ATOM 1925 CA ARG A 121 5.277 -10.262 1.462 1.00 0.00 C ATOM 1926 C ARG A 121 4.608 -10.387 0.096 1.00 0.00 C ATOM 1927 O ARG A 121 5.036 -11.178 -0.746 1.00 0.00 O ATOM 1928 CB ARG A 121 4.361 -10.835 2.545 1.00 0.00 C ATOM 1929 CG ARG A 121 4.963 -10.787 3.940 1.00 0.00 C ATOM 1930 CD ARG A 121 3.979 -11.281 4.988 1.00 0.00 C ATOM 1931 NE ARG A 121 4.656 -11.889 6.131 1.00 0.00 N ATOM 1932 CZ ARG A 121 4.049 -12.680 7.009 1.00 0.00 C ATOM 1933 NH1 ARG A 121 2.760 -12.959 6.875 1.00 0.00 N ATOM 1934 NH2 ARG A 121 4.733 -13.196 8.022 1.00 0.00 N ATOM 0 H ARG A 121 4.848 -8.348 2.204 1.00 0.00 H new ATOM 0 HA ARG A 121 6.207 -10.830 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.422 -10.282 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.122 -11.869 2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.865 -11.398 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.262 -9.765 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.366 -10.448 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.304 -12.009 4.537 1.00 0.00 H new ATOM 0 HE ARG A 121 5.649 -11.696 6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.231 -12.566 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.297 -13.567 7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 121 5.725 -12.985 8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.266 -13.803 8.696 1.00 0.00 H new ATOM 1948 N LEU A 122 3.558 -9.603 -0.116 1.00 0.00 N ATOM 1949 CA LEU A 122 2.829 -9.626 -1.380 1.00 0.00 C ATOM 1950 C LEU A 122 3.781 -9.824 -2.554 1.00 0.00 C ATOM 1951 O LEU A 122 3.490 -10.579 -3.482 1.00 0.00 O ATOM 1952 CB LEU A 122 2.041 -8.327 -1.560 1.00 0.00 C ATOM 1953 CG LEU A 122 1.448 -8.089 -2.950 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.400 -9.143 -3.271 1.00 0.00 C ATOM 1955 CD2 LEU A 122 0.849 -6.693 -3.042 1.00 0.00 C ATOM 0 H LEU A 122 3.192 -8.943 0.570 1.00 0.00 H new ATOM 0 HA LEU A 122 2.134 -10.465 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.229 -8.315 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.697 -7.491 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 122 2.249 -8.168 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.011 -8.957 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.859 -10.131 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.401 -9.097 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.432 -6.541 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.060 -6.586 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.626 -5.951 -2.857 1.00 0.00 H new ATOM 1967 N SER A 123 4.921 -9.142 -2.507 1.00 0.00 N ATOM 1968 CA SER A 123 5.916 -9.241 -3.568 1.00 0.00 C ATOM 1969 C SER A 123 6.306 -10.696 -3.812 1.00 0.00 C ATOM 1970 O SER A 123 6.341 -11.157 -4.953 1.00 0.00 O ATOM 1971 CB SER A 123 7.158 -8.422 -3.210 1.00 0.00 C ATOM 1972 OG SER A 123 7.907 -9.053 -2.185 1.00 0.00 O ATOM 0 H SER A 123 5.178 -8.515 -1.745 1.00 0.00 H new ATOM 0 HA SER A 123 5.477 -8.841 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.782 -8.295 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.859 -7.425 -2.885 1.00 0.00 H new ATOM 0 HG SER A 123 7.543 -8.800 -1.311 1.00 0.00 H new ATOM 1978 N ARG A 124 6.598 -11.413 -2.733 1.00 0.00 N ATOM 1979 CA ARG A 124 6.987 -12.815 -2.829 1.00 0.00 C ATOM 1980 C ARG A 124 6.155 -13.538 -3.884 1.00 0.00 C ATOM 1981 O ARG A 124 6.630 -14.471 -4.533 1.00 0.00 O ATOM 1982 CB ARG A 124 6.823 -13.506 -1.474 1.00 0.00 C ATOM 1983 CG ARG A 124 7.912 -13.152 -0.474 1.00 0.00 C ATOM 1984 CD ARG A 124 9.132 -14.044 -0.640 1.00 0.00 C ATOM 1985 NE ARG A 124 10.334 -13.440 -0.072 1.00 0.00 N ATOM 1986 CZ ARG A 124 11.049 -12.506 -0.689 1.00 0.00 C ATOM 1987 NH1 ARG A 124 10.685 -12.072 -1.888 1.00 0.00 N ATOM 1988 NH2 ARG A 124 12.131 -12.004 -0.107 1.00 0.00 N ATOM 0 H ARG A 124 6.573 -11.047 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 124 8.035 -12.856 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.854 -13.237 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.817 -14.586 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.202 -12.109 -0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.523 -13.251 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.947 -15.004 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.293 -14.244 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 124 10.641 -13.752 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 124 9.854 -12.455 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.236 -11.355 -2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 124 12.414 -12.335 0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.679 -11.287 -0.582 1.00 0.00 H new ATOM 2002 N THR A 125 4.911 -13.102 -4.051 1.00 0.00 N ATOM 2003 CA THR A 125 4.012 -13.708 -5.025 1.00 0.00 C ATOM 2004 C THR A 125 4.665 -13.786 -6.401 1.00 0.00 C ATOM 2005 O THR A 125 5.513 -12.968 -6.759 1.00 0.00 O ATOM 2006 CB THR A 125 2.693 -12.922 -5.139 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.946 -11.614 -5.666 1.00 0.00 O ATOM 2008 CG2 THR A 125 2.014 -12.805 -3.783 1.00 0.00 C ATOM 0 H THR A 125 4.502 -12.330 -3.524 1.00 0.00 H new ATOM 0 HA THR A 125 3.795 -14.716 -4.670 1.00 0.00 H new ATOM 0 HB THR A 125 2.030 -13.463 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.736 -10.941 -4.985 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.084 -12.246 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.797 -13.801 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.674 -12.284 -3.089 1.00 0.00 H new ATOM 2016 N PRO A 126 4.261 -14.790 -7.193 1.00 0.00 N ATOM 2017 CA PRO A 126 4.794 -14.997 -8.543 1.00 0.00 C ATOM 2018 C PRO A 126 4.339 -13.916 -9.517 1.00 0.00 C ATOM 2019 O PRO A 126 4.773 -13.882 -10.669 1.00 0.00 O ATOM 2020 CB PRO A 126 4.219 -16.357 -8.947 1.00 0.00 C ATOM 2021 CG PRO A 126 2.978 -16.500 -8.134 1.00 0.00 C ATOM 2022 CD PRO A 126 3.254 -15.801 -6.831 1.00 0.00 C ATOM 0 HA PRO A 126 5.883 -14.957 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.000 -16.393 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.924 -17.162 -8.739 1.00 0.00 H new ATOM 0 HG2 PRO A 126 2.124 -16.053 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.738 -17.550 -7.970 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.353 -15.343 -6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.631 -16.491 -6.077 1.00 0.00 H new ATOM 2030 N ILE A 127 3.462 -13.034 -9.048 1.00 0.00 N ATOM 2031 CA ILE A 127 2.950 -11.951 -9.879 1.00 0.00 C ATOM 2032 C ILE A 127 3.840 -10.717 -9.782 1.00 0.00 C ATOM 2033 O ILE A 127 3.991 -9.971 -10.749 1.00 0.00 O ATOM 2034 CB ILE A 127 1.513 -11.566 -9.479 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.614 -12.804 -9.471 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.964 -10.512 -10.429 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.538 -13.486 -8.123 1.00 0.00 C ATOM 0 H ILE A 127 3.092 -13.048 -8.098 1.00 0.00 H new ATOM 0 HA ILE A 127 2.948 -12.315 -10.906 1.00 0.00 H new ATOM 0 HB ILE A 127 1.531 -11.147 -8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.391 -12.516 -9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.983 -13.516 -10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.052 -10.250 -10.134 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.594 -9.623 -10.390 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.956 -10.907 -11.445 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.116 -14.355 -8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.535 -13.805 -7.820 1.00 0.00 H new ATOM 0 HD13 ILE A 127 0.140 -12.790 -7.385 1.00 0.00 H new ATOM 2049 N ALA A 128 4.430 -10.509 -8.609 1.00 0.00 N ATOM 2050 CA ALA A 128 5.308 -9.367 -8.388 1.00 0.00 C ATOM 2051 C ALA A 128 6.715 -9.648 -8.906 1.00 0.00 C ATOM 2052 O ALA A 128 7.303 -8.827 -9.611 1.00 0.00 O ATOM 2053 CB ALA A 128 5.350 -9.013 -6.909 1.00 0.00 C ATOM 0 H ALA A 128 4.316 -11.117 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 128 4.907 -8.519 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.009 -8.158 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.346 -8.762 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.724 -9.865 -6.341 1.00 0.00 H new ATOM 2059 N LEU A 129 7.248 -10.812 -8.554 1.00 0.00 N ATOM 2060 CA LEU A 129 8.587 -11.202 -8.984 1.00 0.00 C ATOM 2061 C LEU A 129 8.645 -11.371 -10.499 1.00 0.00 C ATOM 2062 O LEU A 129 9.656 -11.064 -11.130 1.00 0.00 O ATOM 2063 CB LEU A 129 9.006 -12.503 -8.297 1.00 0.00 C ATOM 2064 CG LEU A 129 8.853 -12.539 -6.777 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.176 -13.925 -6.240 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.744 -11.491 -6.125 1.00 0.00 C ATOM 0 H LEU A 129 6.774 -11.503 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 129 9.279 -10.409 -8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.420 -13.319 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 129 10.050 -12.700 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 129 7.816 -12.309 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.062 -13.931 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.496 -14.654 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.203 -14.185 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.621 -11.532 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.785 -11.689 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.464 -10.501 -6.485 1.00 0.00 H new ATOM 2078 N ALA A 130 7.553 -11.860 -11.076 1.00 0.00 N ATOM 2079 CA ALA A 130 7.478 -12.066 -12.517 1.00 0.00 C ATOM 2080 C ALA A 130 7.948 -10.829 -13.274 1.00 0.00 C ATOM 2081 O ALA A 130 8.797 -10.916 -14.162 1.00 0.00 O ATOM 2082 CB ALA A 130 6.057 -12.429 -12.925 1.00 0.00 C ATOM 0 H ALA A 130 6.708 -12.121 -10.568 1.00 0.00 H new ATOM 0 HA ALA A 130 8.141 -12.892 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 130 6.015 -12.580 -14.004 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.756 -13.346 -12.418 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.381 -11.621 -12.645 1.00 0.00 H new ATOM 2088 N THR A 131 7.390 -9.676 -12.918 1.00 0.00 N ATOM 2089 CA THR A 131 7.751 -8.420 -13.565 1.00 0.00 C ATOM 2090 C THR A 131 9.249 -8.159 -13.461 1.00 0.00 C ATOM 2091 O THR A 131 9.866 -7.649 -14.395 1.00 0.00 O ATOM 2092 CB THR A 131 6.990 -7.231 -12.948 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.460 -6.987 -11.617 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.494 -7.502 -12.921 1.00 0.00 C ATOM 0 H THR A 131 6.686 -9.586 -12.185 1.00 0.00 H new ATOM 0 HA THR A 131 7.473 -8.514 -14.615 1.00 0.00 H new ATOM 0 HB THR A 131 7.173 -6.351 -13.565 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.245 -7.756 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.978 -6.649 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.134 -7.659 -13.938 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.296 -8.393 -12.325 1.00 0.00 H new ATOM 2102 N GLY A 132 9.830 -8.514 -12.319 1.00 0.00 N ATOM 2103 CA GLY A 132 11.252 -8.310 -12.115 1.00 0.00 C ATOM 2104 C GLY A 132 11.549 -7.065 -11.303 1.00 0.00 C ATOM 2105 O GLY A 132 12.665 -6.546 -11.336 1.00 0.00 O ATOM 0 H GLY A 132 9.341 -8.939 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.671 -9.179 -11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.748 -8.235 -13.083 1.00 0.00 H new ATOM 2109 N ILE A 133 10.548 -6.584 -10.573 1.00 0.00 N ATOM 2110 CA ILE A 133 10.708 -5.392 -9.749 1.00 0.00 C ATOM 2111 C ILE A 133 11.507 -5.699 -8.488 1.00 0.00 C ATOM 2112 O ILE A 133 11.301 -6.728 -7.845 1.00 0.00 O ATOM 2113 CB ILE A 133 9.345 -4.798 -9.348 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.565 -4.369 -10.593 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.538 -3.620 -8.405 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.079 -4.221 -10.353 1.00 0.00 C ATOM 0 H ILE A 133 9.618 -7.001 -10.535 1.00 0.00 H new ATOM 0 HA ILE A 133 11.250 -4.663 -10.351 1.00 0.00 H new ATOM 0 HB ILE A 133 8.770 -5.564 -8.828 1.00 0.00 H new ATOM 0 HG12 ILE A 133 8.963 -3.420 -10.952 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.726 -5.102 -11.383 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.566 -3.211 -8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.058 -3.954 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.129 -2.850 -8.901 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.590 -3.915 -11.278 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.667 -5.175 -10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.908 -3.467 -9.585 1.00 0.00 H new ATOM 2128 N ARG A 134 12.420 -4.798 -8.138 1.00 0.00 N ATOM 2129 CA ARG A 134 13.250 -4.972 -6.952 1.00 0.00 C ATOM 2130 C ARG A 134 12.457 -5.625 -5.824 1.00 0.00 C ATOM 2131 O ARG A 134 11.703 -4.972 -5.103 1.00 0.00 O ATOM 2132 CB ARG A 134 13.801 -3.622 -6.487 1.00 0.00 C ATOM 2133 CG ARG A 134 14.854 -3.041 -7.417 1.00 0.00 C ATOM 2134 CD ARG A 134 15.510 -1.809 -6.814 1.00 0.00 C ATOM 2135 NE ARG A 134 16.559 -1.271 -7.676 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.424 -0.340 -7.287 1.00 0.00 C ATOM 2137 NH1 ARG A 134 17.365 0.152 -6.057 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.350 0.099 -8.129 1.00 0.00 N ATOM 0 H ARG A 134 12.603 -3.940 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 134 14.082 -5.626 -7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 134 12.977 -2.914 -6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.231 -3.738 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 134 15.614 -3.795 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.395 -2.780 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 134 14.754 -1.043 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 134 15.934 -2.063 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 134 16.632 -1.629 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 134 16.655 -0.184 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 134 18.030 0.866 -5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.398 -0.278 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.014 0.814 -7.830 1.00 0.00 H new ATOM 2152 N PRO A 135 12.630 -6.946 -5.668 1.00 0.00 N ATOM 2153 CA PRO A 135 11.939 -7.718 -4.630 1.00 0.00 C ATOM 2154 C PRO A 135 12.444 -7.386 -3.229 1.00 0.00 C ATOM 2155 O PRO A 135 13.638 -7.172 -3.024 1.00 0.00 O ATOM 2156 CB PRO A 135 12.269 -9.169 -4.988 1.00 0.00 C ATOM 2157 CG PRO A 135 13.552 -9.091 -5.741 1.00 0.00 C ATOM 2158 CD PRO A 135 13.514 -7.789 -6.491 1.00 0.00 C ATOM 0 HA PRO A 135 10.871 -7.504 -4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.372 -9.784 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.481 -9.616 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.405 -9.126 -5.063 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.654 -9.933 -6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.508 -7.353 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.121 -7.918 -7.500 1.00 0.00 H new ATOM 2166 N PHE A 136 11.526 -7.347 -2.269 1.00 0.00 N ATOM 2167 CA PHE A 136 11.878 -7.041 -0.887 1.00 0.00 C ATOM 2168 C PHE A 136 13.008 -7.945 -0.401 1.00 0.00 C ATOM 2169 O PHE A 136 13.116 -9.109 -0.787 1.00 0.00 O ATOM 2170 CB PHE A 136 10.656 -7.201 0.020 1.00 0.00 C ATOM 2171 CG PHE A 136 9.785 -5.979 0.073 1.00 0.00 C ATOM 2172 CD1 PHE A 136 8.877 -5.714 -0.940 1.00 0.00 C ATOM 2173 CD2 PHE A 136 9.875 -5.093 1.135 1.00 0.00 C ATOM 2174 CE1 PHE A 136 8.074 -4.591 -0.894 1.00 0.00 C ATOM 2175 CE2 PHE A 136 9.073 -3.968 1.186 1.00 0.00 C ATOM 2176 CZ PHE A 136 8.173 -3.716 0.170 1.00 0.00 C ATOM 0 H PHE A 136 10.533 -7.523 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 136 12.220 -6.007 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.062 -8.046 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 136 10.991 -7.443 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 136 8.796 -6.394 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 136 10.579 -5.283 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 136 7.369 -4.397 -1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 136 9.151 -3.287 2.020 1.00 0.00 H new ATOM 0 HZ PHE A 136 7.548 -2.836 0.207 1.00 0.00 H new ATOM 2186 N PRO A 137 13.872 -7.396 0.466 1.00 0.00 N ATOM 2187 CA PRO A 137 15.009 -8.134 1.024 1.00 0.00 C ATOM 2188 C PRO A 137 14.572 -9.224 1.997 1.00 0.00 C ATOM 2189 O PRO A 137 15.405 -9.907 2.593 1.00 0.00 O ATOM 2190 CB PRO A 137 15.809 -7.053 1.755 1.00 0.00 C ATOM 2191 CG PRO A 137 14.807 -6.002 2.090 1.00 0.00 C ATOM 2192 CD PRO A 137 13.804 -6.014 0.969 1.00 0.00 C ATOM 0 HA PRO A 137 15.576 -8.654 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 137 16.282 -7.450 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 137 16.605 -6.655 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 137 14.327 -6.211 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 137 15.281 -5.025 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 137 12.804 -5.764 1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 137 14.059 -5.291 0.194 1.00 0.00 H new ATOM 2200 N SER A 138 13.262 -9.381 2.152 1.00 0.00 N ATOM 2201 CA SER A 138 12.714 -10.386 3.056 1.00 0.00 C ATOM 2202 C SER A 138 13.540 -11.668 3.007 1.00 0.00 C ATOM 2203 O SER A 138 13.954 -12.113 1.937 1.00 0.00 O ATOM 2204 CB SER A 138 11.259 -10.689 2.695 1.00 0.00 C ATOM 2205 OG SER A 138 10.406 -9.624 3.078 1.00 0.00 O ATOM 0 H SER A 138 12.560 -8.825 1.664 1.00 0.00 H new ATOM 0 HA SER A 138 12.753 -9.987 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 138 11.175 -10.858 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 138 10.942 -11.608 3.188 1.00 0.00 H new ATOM 0 HG SER A 138 9.482 -9.841 2.835 1.00 0.00 H new ATOM 2211 N GLY A 139 13.776 -12.258 4.175 1.00 0.00 N ATOM 2212 CA GLY A 139 14.551 -13.483 4.244 1.00 0.00 C ATOM 2213 C GLY A 139 14.916 -13.859 5.666 1.00 0.00 C ATOM 2214 O GLY A 139 14.451 -13.251 6.630 1.00 0.00 O ATOM 0 H GLY A 139 13.444 -11.909 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 139 13.982 -14.295 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 139 15.462 -13.366 3.657 1.00 0.00 H new ATOM 2218 N PRO A 140 15.768 -14.885 5.812 1.00 0.00 N ATOM 2219 CA PRO A 140 16.213 -15.364 7.123 1.00 0.00 C ATOM 2220 C PRO A 140 17.137 -14.371 7.821 1.00 0.00 C ATOM 2221 O PRO A 140 18.127 -13.921 7.246 1.00 0.00 O ATOM 2222 CB PRO A 140 16.967 -16.654 6.792 1.00 0.00 C ATOM 2223 CG PRO A 140 17.424 -16.476 5.385 1.00 0.00 C ATOM 2224 CD PRO A 140 16.362 -15.655 4.706 1.00 0.00 C ATOM 0 HA PRO A 140 15.378 -15.506 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 140 17.810 -16.804 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 140 16.321 -17.526 6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 140 18.390 -15.972 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 140 17.549 -17.439 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 140 16.785 -15.002 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 140 15.622 -16.284 4.212 1.00 0.00 H new ATOM 2232 N SER A 141 16.806 -14.035 9.063 1.00 0.00 N ATOM 2233 CA SER A 141 17.604 -13.092 9.838 1.00 0.00 C ATOM 2234 C SER A 141 18.247 -13.782 11.037 1.00 0.00 C ATOM 2235 O SER A 141 17.641 -14.649 11.667 1.00 0.00 O ATOM 2236 CB SER A 141 16.736 -11.925 10.312 1.00 0.00 C ATOM 2237 OG SER A 141 16.149 -11.247 9.214 1.00 0.00 O ATOM 0 H SER A 141 15.991 -14.401 9.555 1.00 0.00 H new ATOM 0 HA SER A 141 18.395 -12.708 9.194 1.00 0.00 H new ATOM 0 HB2 SER A 141 15.954 -12.295 10.975 1.00 0.00 H new ATOM 0 HB3 SER A 141 17.342 -11.229 10.892 1.00 0.00 H new ATOM 0 HG SER A 141 15.598 -10.507 9.543 1.00 0.00 H new ATOM 2243 N SER A 142 19.479 -13.391 11.347 1.00 0.00 N ATOM 2244 CA SER A 142 20.207 -13.973 12.468 1.00 0.00 C ATOM 2245 C SER A 142 20.113 -15.496 12.444 1.00 0.00 C ATOM 2246 O SER A 142 19.866 -16.130 13.469 1.00 0.00 O ATOM 2247 CB SER A 142 19.660 -13.438 13.792 1.00 0.00 C ATOM 2248 OG SER A 142 20.559 -13.695 14.857 1.00 0.00 O ATOM 0 H SER A 142 19.994 -12.673 10.837 1.00 0.00 H new ATOM 0 HA SER A 142 21.255 -13.689 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 142 19.486 -12.365 13.710 1.00 0.00 H new ATOM 0 HB3 SER A 142 18.697 -13.902 14.005 1.00 0.00 H new ATOM 0 HG SER A 142 20.742 -14.657 14.906 1.00 0.00 H new ATOM 2254 N GLY A 143 20.313 -16.076 11.265 1.00 0.00 N ATOM 2255 CA GLY A 143 20.246 -17.520 11.128 1.00 0.00 C ATOM 2256 C GLY A 143 21.060 -18.029 9.955 1.00 0.00 C ATOM 2257 O GLY A 143 22.200 -18.462 10.123 1.00 0.00 O ATOM 0 H GLY A 143 20.520 -15.573 10.402 1.00 0.00 H new ATOM 0 HA2 GLY A 143 20.606 -17.986 12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 143 19.206 -17.822 11.003 1.00 0.00 H new TER 2261 GLY A 143