USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1106 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 108 SER OG : rot 180:sc= 0.923 USER MOD Set 1.2: A 124 THR OG1 : rot -101:sc= 1.24 USER MOD Set 2.1: A 95 CYS SG : rot -166:sc= -1.45 USER MOD Set 2.2: A 97 GLN : amide:sc= -2 K(o=-3.4,f=-4) USER MOD Set 3.1: A 25 ASN : amide:sc= -1.96 K(o=-2,f=-9.8!) USER MOD Set 3.2: A 27 MET CE :methyl 169:sc= 0 (180deg=-0.0623) USER MOD Single : A 2 ASN : amide:sc= -1.44 K(o=-1.4,f=-6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 6 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -170:sc= -1.14 USER MOD Single : A 14 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.71) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= -0.165 (180deg=-1.91!) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -0.159 (180deg=-1.05) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.22 K(o=-2.2,f=-6.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.68 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -0.0941 (180deg=-0.556) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0263 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0533 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -100:sc= -2.16 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 64 ASN : amide:sc= -1.68! K(o=-1.7!,f=0.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 81 CYS SG : rot 180:sc= -2.16 USER MOD Single : A 82 LYS NZ :NH3+ -112:sc= 0.0101 (180deg=-1.3) USER MOD Single : A 83 SER OG : rot 115:sc= 0.742 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.331 (180deg=-0.616) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0955 USER MOD Single : A 91 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.7!) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0196) USER MOD Single : A 93 MET CE :methyl 172:sc= -4.97! (180deg=-5.07!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -158:sc=-0.00399 (180deg=-0.128) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 110 THR OG1 : rot 16:sc= 0.984 USER MOD Single : A 114 THR OG1 : rot -27:sc= 0.355 USER MOD Single : A 115 ASN : amide:sc= -0.892 K(o=-0.89,f=-5!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -3.13! USER MOD Single : A 123 MET CE :methyl -143:sc= -0.671 (180deg=-2.74!) USER MOD Single : A 130 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 134 TYR OH : rot 180:sc= -0.326 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -16.741 0.531 8.661 1.00 0.00 N ATOM 2 CA PRO A 1 -15.353 1.034 8.939 1.00 0.00 C ATOM 3 C PRO A 1 -15.254 2.531 8.583 1.00 0.00 C ATOM 4 O PRO A 1 -16.253 3.227 8.570 1.00 0.00 O ATOM 5 CB PRO A 1 -14.372 0.194 8.115 1.00 0.00 C ATOM 6 CG PRO A 1 -15.195 -0.822 7.330 1.00 0.00 C ATOM 7 CD PRO A 1 -16.655 -0.638 7.734 1.00 0.00 C ATOM 0 H2 PRO A 1 -17.307 1.270 8.245 1.00 0.00 H new ATOM 0 H3 PRO A 1 -17.198 0.259 9.531 1.00 0.00 H new ATOM 0 HA PRO A 1 -15.110 0.937 9.997 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.797 0.827 7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.657 -0.310 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.072 -0.669 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.862 -1.837 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -17.275 -0.471 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -17.030 -1.538 8.221 1.00 0.00 H new ATOM 17 N ASN A 2 -14.069 3.045 8.328 1.00 0.00 N ATOM 18 CA ASN A 2 -13.941 4.509 8.017 1.00 0.00 C ATOM 19 C ASN A 2 -12.999 4.760 6.849 1.00 0.00 C ATOM 20 O ASN A 2 -12.409 5.813 6.746 1.00 0.00 O ATOM 21 CB ASN A 2 -13.378 5.215 9.243 1.00 0.00 C ATOM 22 CG ASN A 2 -14.422 5.222 10.361 1.00 0.00 C ATOM 23 OD1 ASN A 2 -14.920 4.184 10.750 1.00 0.00 O ATOM 24 ND2 ASN A 2 -14.777 6.358 10.898 1.00 0.00 N ATOM 0 H ASN A 2 -13.194 2.520 8.322 1.00 0.00 H new ATOM 0 HA ASN A 2 -14.928 4.887 7.750 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -12.473 4.710 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -13.097 6.237 8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -15.472 6.374 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -14.359 7.229 10.571 1.00 0.00 H new ATOM 31 N PHE A 3 -12.868 3.824 5.970 1.00 0.00 N ATOM 32 CA PHE A 3 -11.956 4.009 4.807 1.00 0.00 C ATOM 33 C PHE A 3 -12.717 4.583 3.606 1.00 0.00 C ATOM 34 O PHE A 3 -12.114 5.068 2.666 1.00 0.00 O ATOM 35 CB PHE A 3 -11.368 2.662 4.407 1.00 0.00 C ATOM 36 CG PHE A 3 -10.631 2.006 5.559 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.318 1.533 6.691 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.258 1.797 5.451 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.637 0.852 7.692 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.570 1.130 6.466 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.269 0.647 7.589 1.00 0.00 C ATOM 0 H PHE A 3 -13.354 2.928 6.000 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.166 4.702 5.097 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.166 2.004 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.685 2.798 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.381 1.700 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.725 2.151 4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.174 0.481 8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.503 0.984 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.741 0.118 8.369 1.00 0.00 H new ATOM 51 N SER A 4 -14.028 4.521 3.613 1.00 0.00 N ATOM 52 CA SER A 4 -14.810 5.052 2.449 1.00 0.00 C ATOM 53 C SER A 4 -14.511 6.542 2.258 1.00 0.00 C ATOM 54 O SER A 4 -14.763 7.348 3.133 1.00 0.00 O ATOM 55 CB SER A 4 -16.314 4.874 2.688 1.00 0.00 C ATOM 56 OG SER A 4 -16.572 4.786 4.084 1.00 0.00 O ATOM 0 H SER A 4 -14.588 4.128 4.369 1.00 0.00 H new ATOM 0 HA SER A 4 -14.518 4.497 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.862 5.714 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.667 3.973 2.186 1.00 0.00 H new ATOM 0 HG SER A 4 -17.534 4.674 4.232 1.00 0.00 H new ATOM 62 N GLY A 5 -13.981 6.910 1.118 1.00 0.00 N ATOM 63 CA GLY A 5 -13.672 8.346 0.867 1.00 0.00 C ATOM 64 C GLY A 5 -12.426 8.465 0.004 1.00 0.00 C ATOM 65 O GLY A 5 -11.567 7.603 0.005 1.00 0.00 O ATOM 0 H GLY A 5 -13.750 6.277 0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.515 8.827 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.520 8.865 1.813 1.00 0.00 H new ATOM 69 N ASN A 6 -12.313 9.550 -0.701 1.00 0.00 N ATOM 70 CA ASN A 6 -11.114 9.780 -1.544 1.00 0.00 C ATOM 71 C ASN A 6 -10.018 10.256 -0.613 1.00 0.00 C ATOM 72 O ASN A 6 -10.305 10.822 0.428 1.00 0.00 O ATOM 73 CB ASN A 6 -11.409 10.846 -2.602 1.00 0.00 C ATOM 74 CG ASN A 6 -10.198 10.999 -3.524 1.00 0.00 C ATOM 75 OD1 ASN A 6 -9.188 11.552 -3.133 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.256 10.530 -4.740 1.00 0.00 N ATOM 0 H ASN A 6 -13.008 10.296 -0.729 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.819 8.870 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.288 10.564 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.636 11.798 -2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.454 10.627 -5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.103 10.066 -5.068 1.00 0.00 H new ATOM 83 N TRP A 7 -8.775 10.003 -0.930 1.00 0.00 N ATOM 84 CA TRP A 7 -7.699 10.422 0.015 1.00 0.00 C ATOM 85 C TRP A 7 -6.606 11.226 -0.656 1.00 0.00 C ATOM 86 O TRP A 7 -6.101 10.878 -1.707 1.00 0.00 O ATOM 87 CB TRP A 7 -7.080 9.183 0.626 1.00 0.00 C ATOM 88 CG TRP A 7 -8.128 8.401 1.328 1.00 0.00 C ATOM 89 CD1 TRP A 7 -8.812 7.357 0.813 1.00 0.00 C ATOM 90 CD2 TRP A 7 -8.636 8.610 2.660 1.00 0.00 C ATOM 91 NE1 TRP A 7 -9.677 6.880 1.779 1.00 0.00 N ATOM 92 CE2 TRP A 7 -9.609 7.630 2.939 1.00 0.00 C ATOM 93 CE3 TRP A 7 -8.328 9.548 3.645 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -10.260 7.584 4.172 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -8.979 9.527 4.876 1.00 0.00 C ATOM 96 CH2 TRP A 7 -9.948 8.543 5.148 1.00 0.00 C ATOM 0 H TRP A 7 -8.463 9.536 -1.781 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.159 11.059 0.770 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -6.616 8.575 -0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.292 9.464 1.324 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.702 6.961 -0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.290 6.075 1.652 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.576 10.299 3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -10.996 6.819 4.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -8.740 10.268 5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.450 8.526 6.104 1.00 0.00 H new ATOM 107 N LYS A 8 -6.220 12.295 -0.016 1.00 0.00 N ATOM 108 CA LYS A 8 -5.132 13.141 -0.555 1.00 0.00 C ATOM 109 C LYS A 8 -3.825 12.730 0.126 1.00 0.00 C ATOM 110 O LYS A 8 -3.837 12.208 1.226 1.00 0.00 O ATOM 111 CB LYS A 8 -5.427 14.620 -0.269 1.00 0.00 C ATOM 112 CG LYS A 8 -6.910 14.918 -0.522 1.00 0.00 C ATOM 113 CD LYS A 8 -7.244 14.656 -1.993 1.00 0.00 C ATOM 114 CE LYS A 8 -6.663 15.776 -2.859 1.00 0.00 C ATOM 115 NZ LYS A 8 -6.243 15.218 -4.175 1.00 0.00 N ATOM 0 H LYS A 8 -6.619 12.617 0.866 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.053 13.007 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.171 14.857 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.807 15.252 -0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.531 14.293 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.131 15.955 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.836 13.694 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.324 14.602 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.406 16.560 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.811 16.234 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.848 15.978 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.521 14.484 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.067 14.801 -4.654 1.00 0.00 H new ATOM 129 N ILE A 9 -2.705 12.947 -0.515 1.00 0.00 N ATOM 130 CA ILE A 9 -1.404 12.551 0.101 1.00 0.00 C ATOM 131 C ILE A 9 -1.049 13.533 1.228 1.00 0.00 C ATOM 132 O ILE A 9 -1.271 14.724 1.131 1.00 0.00 O ATOM 133 CB ILE A 9 -0.316 12.485 -1.006 1.00 0.00 C ATOM 134 CG1 ILE A 9 0.610 11.289 -0.740 1.00 0.00 C ATOM 135 CG2 ILE A 9 0.520 13.776 -1.088 1.00 0.00 C ATOM 136 CD1 ILE A 9 1.350 11.469 0.590 1.00 0.00 C ATOM 0 H ILE A 9 -2.636 13.380 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.473 11.561 0.551 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.827 12.368 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.027 10.368 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.329 11.191 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.265 13.677 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.134 14.619 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.021 13.946 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.002 10.612 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.949 12.379 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.626 11.544 1.402 1.00 0.00 H new ATOM 148 N ILE A 10 -0.496 13.019 2.286 1.00 0.00 N ATOM 149 CA ILE A 10 -0.113 13.859 3.443 1.00 0.00 C ATOM 150 C ILE A 10 1.079 13.177 4.135 1.00 0.00 C ATOM 151 O ILE A 10 0.975 12.075 4.634 1.00 0.00 O ATOM 152 CB ILE A 10 -1.335 13.987 4.378 1.00 0.00 C ATOM 153 CG1 ILE A 10 -2.328 14.992 3.771 1.00 0.00 C ATOM 154 CG2 ILE A 10 -0.930 14.475 5.776 1.00 0.00 C ATOM 155 CD1 ILE A 10 -3.430 14.250 3.008 1.00 0.00 C ATOM 0 H ILE A 10 -0.289 12.026 2.397 1.00 0.00 H new ATOM 0 HA ILE A 10 0.185 14.865 3.146 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.789 13.001 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.769 15.601 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.804 15.672 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.817 14.553 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.231 13.767 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.455 15.453 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.127 14.972 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.984 13.660 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.964 13.589 3.691 1.00 0.00 H new ATOM 167 N ARG A 11 2.208 13.829 4.131 1.00 0.00 N ATOM 168 CA ARG A 11 3.446 13.263 4.755 1.00 0.00 C ATOM 169 C ARG A 11 3.883 12.007 4.000 1.00 0.00 C ATOM 170 O ARG A 11 3.113 11.087 3.801 1.00 0.00 O ATOM 171 CB ARG A 11 3.199 12.929 6.232 1.00 0.00 C ATOM 172 CG ARG A 11 3.410 14.187 7.078 1.00 0.00 C ATOM 173 CD ARG A 11 2.356 15.231 6.705 1.00 0.00 C ATOM 174 NE ARG A 11 2.254 16.247 7.790 1.00 0.00 N ATOM 175 CZ ARG A 11 3.101 17.239 7.837 1.00 0.00 C ATOM 176 NH1 ARG A 11 3.157 18.097 6.855 1.00 0.00 N ATOM 177 NH2 ARG A 11 3.890 17.374 8.867 1.00 0.00 N ATOM 0 H ARG A 11 2.331 14.751 3.713 1.00 0.00 H new ATOM 0 HA ARG A 11 4.238 14.009 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.185 12.552 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.878 12.140 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.337 13.943 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.410 14.588 6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.624 15.713 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.390 14.749 6.552 1.00 0.00 H new ATOM 0 HE ARG A 11 1.522 16.167 8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.539 17.992 6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.819 18.872 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.845 16.704 9.635 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.552 18.149 8.904 1.00 0.00 H new ATOM 191 N SER A 12 5.122 11.973 3.573 1.00 0.00 N ATOM 192 CA SER A 12 5.634 10.791 2.820 1.00 0.00 C ATOM 193 C SER A 12 7.159 10.879 2.708 1.00 0.00 C ATOM 194 O SER A 12 7.692 11.798 2.115 1.00 0.00 O ATOM 195 CB SER A 12 5.028 10.790 1.416 1.00 0.00 C ATOM 196 OG SER A 12 4.861 9.449 0.975 1.00 0.00 O ATOM 0 H SER A 12 5.803 12.719 3.716 1.00 0.00 H new ATOM 0 HA SER A 12 5.358 9.876 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.067 11.305 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.676 11.333 0.728 1.00 0.00 H new ATOM 0 HG SER A 12 4.624 9.444 0.024 1.00 0.00 H new ATOM 202 N GLU A 13 7.861 9.926 3.267 1.00 0.00 N ATOM 203 CA GLU A 13 9.352 9.943 3.192 1.00 0.00 C ATOM 204 C GLU A 13 9.879 8.523 3.400 1.00 0.00 C ATOM 205 O GLU A 13 10.631 8.248 4.318 1.00 0.00 O ATOM 206 CB GLU A 13 9.910 10.874 4.272 1.00 0.00 C ATOM 207 CG GLU A 13 11.379 11.181 3.975 1.00 0.00 C ATOM 208 CD GLU A 13 11.962 12.032 5.104 1.00 0.00 C ATOM 209 OE1 GLU A 13 11.773 13.237 5.070 1.00 0.00 O ATOM 210 OE2 GLU A 13 12.588 11.465 5.984 1.00 0.00 O ATOM 0 H GLU A 13 7.464 9.135 3.773 1.00 0.00 H new ATOM 0 HA GLU A 13 9.669 10.307 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.334 11.799 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.816 10.407 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.943 10.253 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.466 11.709 3.025 1.00 0.00 H new ATOM 217 N ASN A 14 9.470 7.618 2.553 1.00 0.00 N ATOM 218 CA ASN A 14 9.918 6.198 2.686 1.00 0.00 C ATOM 219 C ASN A 14 10.450 5.653 1.348 1.00 0.00 C ATOM 220 O ASN A 14 11.148 4.665 1.331 1.00 0.00 O ATOM 221 CB ASN A 14 8.734 5.346 3.135 1.00 0.00 C ATOM 222 CG ASN A 14 8.693 5.288 4.663 1.00 0.00 C ATOM 223 OD1 ASN A 14 9.166 4.340 5.259 1.00 0.00 O ATOM 224 ND2 ASN A 14 8.143 6.267 5.327 1.00 0.00 N ATOM 0 H ASN A 14 8.842 7.800 1.770 1.00 0.00 H new ATOM 0 HA ASN A 14 10.724 6.156 3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.804 5.767 2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.821 4.340 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.110 6.237 6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.746 7.063 4.827 1.00 0.00 H new ATOM 231 N PHE A 15 10.113 6.275 0.233 1.00 0.00 N ATOM 232 CA PHE A 15 10.573 5.786 -1.116 1.00 0.00 C ATOM 233 C PHE A 15 12.081 5.437 -1.106 1.00 0.00 C ATOM 234 O PHE A 15 12.471 4.347 -1.493 1.00 0.00 O ATOM 235 CB PHE A 15 10.241 6.882 -2.179 1.00 0.00 C ATOM 236 CG PHE A 15 11.335 6.993 -3.227 1.00 0.00 C ATOM 237 CD1 PHE A 15 11.639 5.889 -4.027 1.00 0.00 C ATOM 238 CD2 PHE A 15 12.078 8.174 -3.351 1.00 0.00 C ATOM 239 CE1 PHE A 15 12.678 5.965 -4.954 1.00 0.00 C ATOM 240 CE2 PHE A 15 13.127 8.245 -4.271 1.00 0.00 C ATOM 241 CZ PHE A 15 13.426 7.140 -5.072 1.00 0.00 C ATOM 0 H PHE A 15 9.531 7.112 0.202 1.00 0.00 H new ATOM 0 HA PHE A 15 10.048 4.865 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.294 6.644 -2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.112 7.844 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.069 4.977 -3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.840 9.029 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.905 5.116 -5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.706 9.152 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 15 14.237 7.194 -5.784 1.00 0.00 H new ATOM 251 N GLU A 16 12.919 6.350 -0.709 1.00 0.00 N ATOM 252 CA GLU A 16 14.377 6.052 -0.718 1.00 0.00 C ATOM 253 C GLU A 16 14.676 5.004 0.347 1.00 0.00 C ATOM 254 O GLU A 16 15.508 4.140 0.157 1.00 0.00 O ATOM 255 CB GLU A 16 15.182 7.329 -0.456 1.00 0.00 C ATOM 256 CG GLU A 16 14.780 7.932 0.894 1.00 0.00 C ATOM 257 CD GLU A 16 14.902 9.455 0.829 1.00 0.00 C ATOM 258 OE1 GLU A 16 14.523 10.018 -0.185 1.00 0.00 O ATOM 259 OE2 GLU A 16 15.374 10.033 1.794 1.00 0.00 O ATOM 0 H GLU A 16 12.662 7.281 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 16 14.665 5.666 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.249 7.104 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.005 8.051 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.757 7.649 1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.419 7.539 1.685 1.00 0.00 H new ATOM 266 N GLU A 17 13.975 5.051 1.452 1.00 0.00 N ATOM 267 CA GLU A 17 14.185 4.026 2.518 1.00 0.00 C ATOM 268 C GLU A 17 13.865 2.637 1.938 1.00 0.00 C ATOM 269 O GLU A 17 14.309 1.625 2.444 1.00 0.00 O ATOM 270 CB GLU A 17 13.248 4.318 3.690 1.00 0.00 C ATOM 271 CG GLU A 17 13.923 3.911 5.000 1.00 0.00 C ATOM 272 CD GLU A 17 13.452 4.834 6.126 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.271 5.141 6.159 1.00 0.00 O ATOM 274 OE2 GLU A 17 14.279 5.217 6.936 1.00 0.00 O ATOM 0 H GLU A 17 13.267 5.755 1.661 1.00 0.00 H new ATOM 0 HA GLU A 17 15.218 4.053 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.997 5.378 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.313 3.772 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.681 2.875 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.006 3.970 4.897 1.00 0.00 H new ATOM 281 N LEU A 18 13.103 2.595 0.868 1.00 0.00 N ATOM 282 CA LEU A 18 12.750 1.305 0.230 1.00 0.00 C ATOM 283 C LEU A 18 13.956 0.758 -0.489 1.00 0.00 C ATOM 284 O LEU A 18 14.279 -0.406 -0.386 1.00 0.00 O ATOM 285 CB LEU A 18 11.649 1.521 -0.814 1.00 0.00 C ATOM 286 CG LEU A 18 10.517 2.432 -0.325 1.00 0.00 C ATOM 287 CD1 LEU A 18 9.314 2.217 -1.231 1.00 0.00 C ATOM 288 CD2 LEU A 18 10.097 2.139 1.114 1.00 0.00 C ATOM 0 H LEU A 18 12.710 3.418 0.411 1.00 0.00 H new ATOM 0 HA LEU A 18 12.410 0.616 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.090 1.952 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.231 0.555 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 18 10.880 3.459 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.493 2.855 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.582 2.468 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.004 1.173 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.293 2.815 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.749 1.109 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.949 2.283 1.778 1.00 0.00 H new ATOM 300 N LEU A 19 14.612 1.594 -1.231 1.00 0.00 N ATOM 301 CA LEU A 19 15.805 1.132 -1.979 1.00 0.00 C ATOM 302 C LEU A 19 17.023 1.089 -1.047 1.00 0.00 C ATOM 303 O LEU A 19 18.071 0.585 -1.404 1.00 0.00 O ATOM 304 CB LEU A 19 16.091 2.071 -3.159 1.00 0.00 C ATOM 305 CG LEU A 19 14.829 2.351 -4.015 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.823 1.187 -3.995 1.00 0.00 C ATOM 307 CD2 LEU A 19 14.148 3.625 -3.511 1.00 0.00 C ATOM 0 H LEU A 19 14.374 2.578 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 19 15.609 0.131 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.486 3.014 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.864 1.631 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 19 15.158 2.472 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.961 1.441 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.298 0.288 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.496 1.006 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.260 3.825 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.859 3.495 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.839 4.464 -3.595 1.00 0.00 H new ATOM 319 N LYS A 20 16.888 1.613 0.145 1.00 0.00 N ATOM 320 CA LYS A 20 18.008 1.615 1.114 1.00 0.00 C ATOM 321 C LYS A 20 17.916 0.378 2.010 1.00 0.00 C ATOM 322 O LYS A 20 18.893 -0.049 2.596 1.00 0.00 O ATOM 323 CB LYS A 20 17.883 2.865 1.979 1.00 0.00 C ATOM 324 CG LYS A 20 18.671 4.003 1.338 1.00 0.00 C ATOM 325 CD LYS A 20 19.016 5.052 2.398 1.00 0.00 C ATOM 326 CE LYS A 20 17.921 6.120 2.441 1.00 0.00 C ATOM 327 NZ LYS A 20 16.978 5.821 3.557 1.00 0.00 N ATOM 0 H LYS A 20 16.030 2.046 0.487 1.00 0.00 H new ATOM 0 HA LYS A 20 18.961 1.605 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.835 3.146 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.260 2.666 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 20 19.584 3.616 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 20 18.086 4.458 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 20 19.114 4.578 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 20 19.977 5.512 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.365 7.106 2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.384 6.143 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.009 6.063 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.027 4.809 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.239 6.383 4.392 1.00 0.00 H new ATOM 341 N VAL A 21 16.741 -0.181 2.133 1.00 0.00 N ATOM 342 CA VAL A 21 16.554 -1.368 3.001 1.00 0.00 C ATOM 343 C VAL A 21 16.531 -2.639 2.160 1.00 0.00 C ATOM 344 O VAL A 21 17.011 -3.674 2.586 1.00 0.00 O ATOM 345 CB VAL A 21 15.246 -1.209 3.768 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.328 0.049 4.628 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.071 -1.083 2.793 1.00 0.00 C ATOM 0 H VAL A 21 15.896 0.142 1.661 1.00 0.00 H new ATOM 0 HA VAL A 21 17.383 -1.447 3.705 1.00 0.00 H new ATOM 0 HB VAL A 21 15.088 -2.085 4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.397 0.173 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.157 -0.043 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.488 0.917 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.143 -0.970 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.219 -0.211 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.014 -1.978 2.174 1.00 0.00 H new ATOM 357 N LEU A 22 16.018 -2.569 0.955 1.00 0.00 N ATOM 358 CA LEU A 22 16.018 -3.777 0.082 1.00 0.00 C ATOM 359 C LEU A 22 17.475 -4.173 -0.182 1.00 0.00 C ATOM 360 O LEU A 22 17.772 -5.300 -0.529 1.00 0.00 O ATOM 361 CB LEU A 22 15.282 -3.489 -1.245 1.00 0.00 C ATOM 362 CG LEU A 22 15.873 -2.306 -2.012 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.226 -2.667 -2.641 1.00 0.00 C ATOM 364 CD2 LEU A 22 14.888 -1.955 -3.127 1.00 0.00 C ATOM 0 H LEU A 22 15.603 -1.733 0.544 1.00 0.00 H new ATOM 0 HA LEU A 22 15.493 -4.595 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.319 -4.378 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.231 -3.290 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 22 16.033 -1.471 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.619 -1.804 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.926 -2.956 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.095 -3.498 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.273 -1.112 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.762 -2.815 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.925 -1.687 -2.691 1.00 0.00 H new ATOM 376 N GLY A 23 18.384 -3.236 -0.016 1.00 0.00 N ATOM 377 CA GLY A 23 19.812 -3.527 -0.248 1.00 0.00 C ATOM 378 C GLY A 23 20.376 -2.531 -1.240 1.00 0.00 C ATOM 379 O GLY A 23 20.545 -2.839 -2.404 1.00 0.00 O ATOM 0 H GLY A 23 18.182 -2.279 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.362 -3.472 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.930 -4.542 -0.628 1.00 0.00 H new ATOM 383 N VAL A 24 20.664 -1.335 -0.790 1.00 0.00 N ATOM 384 CA VAL A 24 21.226 -0.291 -1.708 1.00 0.00 C ATOM 385 C VAL A 24 22.389 -0.884 -2.539 1.00 0.00 C ATOM 386 O VAL A 24 23.126 -1.738 -2.086 1.00 0.00 O ATOM 387 CB VAL A 24 21.664 0.940 -0.861 1.00 0.00 C ATOM 388 CG1 VAL A 24 23.194 1.136 -0.829 1.00 0.00 C ATOM 389 CG2 VAL A 24 21.025 2.204 -1.445 1.00 0.00 C ATOM 0 H VAL A 24 20.534 -1.034 0.176 1.00 0.00 H new ATOM 0 HA VAL A 24 20.470 0.041 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 24 21.333 0.757 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.436 2.009 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.665 0.253 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.563 1.285 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 24 21.328 3.070 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 24 21.352 2.334 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.940 2.109 -1.418 1.00 0.00 H new ATOM 399 N ASN A 25 22.527 -0.431 -3.749 1.00 0.00 N ATOM 400 CA ASN A 25 23.602 -0.938 -4.652 1.00 0.00 C ATOM 401 C ASN A 25 23.392 -0.258 -5.992 1.00 0.00 C ATOM 402 O ASN A 25 22.891 -0.847 -6.927 1.00 0.00 O ATOM 403 CB ASN A 25 23.491 -2.461 -4.811 1.00 0.00 C ATOM 404 CG ASN A 25 22.054 -2.845 -5.184 1.00 0.00 C ATOM 405 OD1 ASN A 25 21.232 -1.993 -5.466 1.00 0.00 O ATOM 406 ND2 ASN A 25 21.714 -4.105 -5.200 1.00 0.00 N ATOM 0 H ASN A 25 21.929 0.285 -4.163 1.00 0.00 H new ATOM 0 HA ASN A 25 24.590 -0.721 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.180 -2.806 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.779 -2.954 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.762 -4.373 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.401 -4.822 -4.964 1.00 0.00 H new ATOM 413 N VAL A 26 23.716 1.014 -6.038 1.00 0.00 N ATOM 414 CA VAL A 26 23.512 1.870 -7.252 1.00 0.00 C ATOM 415 C VAL A 26 22.119 2.500 -7.185 1.00 0.00 C ATOM 416 O VAL A 26 21.848 3.473 -7.864 1.00 0.00 O ATOM 417 CB VAL A 26 23.670 1.103 -8.575 1.00 0.00 C ATOM 418 CG1 VAL A 26 23.626 2.097 -9.733 1.00 0.00 C ATOM 419 CG2 VAL A 26 25.010 0.363 -8.584 1.00 0.00 C ATOM 0 H VAL A 26 24.130 1.513 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 26 24.290 2.633 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 26 22.862 0.379 -8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.737 1.562 -10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 26 22.671 2.623 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.438 2.816 -9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 26 25.120 -0.180 -9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 26 25.823 1.082 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 25.043 -0.341 -7.752 1.00 0.00 H new ATOM 429 N MET A 27 21.242 1.998 -6.333 1.00 0.00 N ATOM 430 CA MET A 27 19.903 2.617 -6.190 1.00 0.00 C ATOM 431 C MET A 27 20.150 4.010 -5.629 1.00 0.00 C ATOM 432 O MET A 27 19.861 5.010 -6.257 1.00 0.00 O ATOM 433 CB MET A 27 19.051 1.814 -5.194 1.00 0.00 C ATOM 434 CG MET A 27 19.127 0.300 -5.483 1.00 0.00 C ATOM 435 SD MET A 27 17.598 -0.256 -6.283 1.00 0.00 S ATOM 436 CE MET A 27 17.991 -2.022 -6.323 1.00 0.00 C ATOM 0 H MET A 27 21.410 1.187 -5.738 1.00 0.00 H new ATOM 0 HA MET A 27 19.374 2.643 -7.142 1.00 0.00 H new ATOM 0 HB2 MET A 27 19.394 2.010 -4.178 1.00 0.00 H new ATOM 0 HB3 MET A 27 18.014 2.145 -5.250 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.982 0.086 -6.125 1.00 0.00 H new ATOM 0 HG3 MET A 27 19.281 -0.249 -4.554 1.00 0.00 H new ATOM 0 HE1 MET A 27 17.101 -2.587 -6.601 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.779 -2.203 -7.054 1.00 0.00 H new ATOM 0 HE3 MET A 27 18.330 -2.342 -5.338 1.00 0.00 H new ATOM 446 N LEU A 28 20.739 4.071 -4.456 1.00 0.00 N ATOM 447 CA LEU A 28 21.068 5.386 -3.842 1.00 0.00 C ATOM 448 C LEU A 28 19.803 6.242 -3.767 1.00 0.00 C ATOM 449 O LEU A 28 19.710 7.299 -4.362 1.00 0.00 O ATOM 450 CB LEU A 28 22.143 6.054 -4.708 1.00 0.00 C ATOM 451 CG LEU A 28 23.458 6.200 -3.924 1.00 0.00 C ATOM 452 CD1 LEU A 28 23.228 7.044 -2.667 1.00 0.00 C ATOM 453 CD2 LEU A 28 23.974 4.816 -3.520 1.00 0.00 C ATOM 0 H LEU A 28 21.005 3.258 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 28 21.448 5.264 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 22.313 5.461 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.797 7.035 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 28 24.195 6.694 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 28 24.165 7.142 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.870 8.033 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.485 6.559 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.906 4.923 -2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.233 4.320 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 24.151 4.218 -4.414 1.00 0.00 H new ATOM 465 N ARG A 29 18.810 5.761 -3.057 1.00 0.00 N ATOM 466 CA ARG A 29 17.519 6.507 -2.959 1.00 0.00 C ATOM 467 C ARG A 29 16.932 6.664 -4.371 1.00 0.00 C ATOM 468 O ARG A 29 16.113 7.528 -4.610 1.00 0.00 O ATOM 469 CB ARG A 29 17.760 7.898 -2.352 1.00 0.00 C ATOM 470 CG ARG A 29 18.673 7.789 -1.123 1.00 0.00 C ATOM 471 CD ARG A 29 18.883 9.177 -0.508 1.00 0.00 C ATOM 472 NE ARG A 29 20.317 9.343 -0.138 1.00 0.00 N ATOM 473 CZ ARG A 29 21.064 10.196 -0.784 1.00 0.00 C ATOM 474 NH1 ARG A 29 21.320 10.011 -2.050 1.00 0.00 N ATOM 475 NH2 ARG A 29 21.556 11.234 -0.165 1.00 0.00 N ATOM 0 H ARG A 29 18.840 4.882 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 29 16.827 5.957 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 29 18.215 8.553 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.809 8.349 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 29 18.229 7.118 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.633 7.359 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 29 18.587 9.950 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 18.253 9.296 0.373 1.00 0.00 H new ATOM 0 HE ARG A 29 20.715 8.789 0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 29 20.936 9.200 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.904 10.678 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 29 21.357 11.379 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 29 22.140 11.900 -0.671 1.00 0.00 H new ATOM 489 N LYS A 30 17.364 5.827 -5.308 1.00 0.00 N ATOM 490 CA LYS A 30 16.881 5.890 -6.730 1.00 0.00 C ATOM 491 C LYS A 30 16.746 7.342 -7.194 1.00 0.00 C ATOM 492 O LYS A 30 15.661 7.838 -7.370 1.00 0.00 O ATOM 493 CB LYS A 30 15.545 5.157 -6.852 1.00 0.00 C ATOM 494 CG LYS A 30 15.775 3.755 -7.428 1.00 0.00 C ATOM 495 CD LYS A 30 14.451 3.190 -7.954 1.00 0.00 C ATOM 496 CE LYS A 30 14.699 2.417 -9.252 1.00 0.00 C ATOM 497 NZ LYS A 30 15.217 3.347 -10.296 1.00 0.00 N ATOM 0 H LYS A 30 18.047 5.089 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 30 17.613 5.402 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.068 5.085 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.869 5.719 -7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.509 3.798 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.182 3.098 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.003 2.533 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.744 4.000 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.415 1.614 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.774 1.951 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.863 3.053 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.893 4.314 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.257 3.324 -10.297 1.00 0.00 H new ATOM 511 N ILE A 31 17.855 8.025 -7.372 1.00 0.00 N ATOM 512 CA ILE A 31 17.815 9.465 -7.813 1.00 0.00 C ATOM 513 C ILE A 31 16.892 9.633 -9.035 1.00 0.00 C ATOM 514 O ILE A 31 17.314 9.502 -10.167 1.00 0.00 O ATOM 515 CB ILE A 31 19.232 9.923 -8.171 1.00 0.00 C ATOM 516 CG1 ILE A 31 20.164 9.713 -6.967 1.00 0.00 C ATOM 517 CG2 ILE A 31 19.220 11.408 -8.551 1.00 0.00 C ATOM 518 CD1 ILE A 31 21.506 9.153 -7.447 1.00 0.00 C ATOM 0 H ILE A 31 18.792 7.647 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 31 17.423 10.073 -6.998 1.00 0.00 H new ATOM 0 HB ILE A 31 19.591 9.337 -9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 31 20.318 10.657 -6.445 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.706 9.026 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 31 20.231 11.727 -8.804 1.00 0.00 H new ATOM 0 HG22 ILE A 31 18.566 11.558 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.854 11.996 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 31 22.165 9.005 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 31 21.344 8.199 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 31 21.966 9.856 -8.142 1.00 0.00 H new ATOM 530 N ALA A 32 15.632 9.921 -8.795 1.00 0.00 N ATOM 531 CA ALA A 32 14.636 10.103 -9.905 1.00 0.00 C ATOM 532 C ALA A 32 13.226 10.056 -9.306 1.00 0.00 C ATOM 533 O ALA A 32 12.318 10.717 -9.773 1.00 0.00 O ATOM 534 CB ALA A 32 14.764 8.979 -10.944 1.00 0.00 C ATOM 0 H ALA A 32 15.244 10.040 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 32 14.824 11.058 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.033 9.132 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.768 8.989 -11.369 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.582 8.017 -10.464 1.00 0.00 H new ATOM 540 N VAL A 33 13.046 9.274 -8.272 1.00 0.00 N ATOM 541 CA VAL A 33 11.701 9.163 -7.618 1.00 0.00 C ATOM 542 C VAL A 33 11.707 9.994 -6.330 1.00 0.00 C ATOM 543 O VAL A 33 11.019 9.679 -5.378 1.00 0.00 O ATOM 544 CB VAL A 33 11.341 7.685 -7.274 1.00 0.00 C ATOM 545 CG1 VAL A 33 9.972 7.342 -7.861 1.00 0.00 C ATOM 546 CG2 VAL A 33 12.377 6.682 -7.832 1.00 0.00 C ATOM 0 H VAL A 33 13.777 8.703 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 33 10.951 9.534 -8.317 1.00 0.00 H new ATOM 0 HB VAL A 33 11.335 7.601 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.721 6.309 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.218 8.006 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.999 7.466 -8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.081 5.667 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.424 6.773 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.357 6.897 -7.407 1.00 0.00 H new ATOM 556 N ALA A 34 12.477 11.054 -6.299 1.00 0.00 N ATOM 557 CA ALA A 34 12.531 11.910 -5.077 1.00 0.00 C ATOM 558 C ALA A 34 12.041 13.320 -5.418 1.00 0.00 C ATOM 559 O ALA A 34 12.596 14.306 -4.969 1.00 0.00 O ATOM 560 CB ALA A 34 13.973 11.977 -4.567 1.00 0.00 C ATOM 0 H ALA A 34 13.071 11.362 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 34 11.892 11.483 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.015 12.602 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.320 10.973 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.613 12.404 -5.339 1.00 0.00 H new ATOM 566 N ALA A 35 11.002 13.421 -6.209 1.00 0.00 N ATOM 567 CA ALA A 35 10.467 14.762 -6.584 1.00 0.00 C ATOM 568 C ALA A 35 9.197 15.048 -5.780 1.00 0.00 C ATOM 569 O ALA A 35 8.807 14.275 -4.926 1.00 0.00 O ATOM 570 CB ALA A 35 10.138 14.781 -8.078 1.00 0.00 C ATOM 0 H ALA A 35 10.501 12.629 -6.611 1.00 0.00 H new ATOM 0 HA ALA A 35 11.215 15.524 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.747 15.761 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.042 14.577 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.390 14.018 -8.296 1.00 0.00 H new ATOM 576 N ALA A 36 8.552 16.156 -6.048 1.00 0.00 N ATOM 577 CA ALA A 36 7.306 16.502 -5.304 1.00 0.00 C ATOM 578 C ALA A 36 6.120 15.753 -5.916 1.00 0.00 C ATOM 579 O ALA A 36 5.598 14.821 -5.335 1.00 0.00 O ATOM 580 CB ALA A 36 7.059 18.009 -5.397 1.00 0.00 C ATOM 0 H ALA A 36 8.837 16.836 -6.752 1.00 0.00 H new ATOM 0 HA ALA A 36 7.416 16.215 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.149 18.263 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.903 18.544 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.949 18.296 -6.443 1.00 0.00 H new ATOM 586 N SER A 37 5.692 16.155 -7.088 1.00 0.00 N ATOM 587 CA SER A 37 4.538 15.475 -7.752 1.00 0.00 C ATOM 588 C SER A 37 3.295 15.583 -6.864 1.00 0.00 C ATOM 589 O SER A 37 3.324 16.200 -5.816 1.00 0.00 O ATOM 590 CB SER A 37 4.872 13.999 -7.983 1.00 0.00 C ATOM 591 OG SER A 37 4.055 13.491 -9.029 1.00 0.00 O ATOM 0 H SER A 37 6.095 16.929 -7.615 1.00 0.00 H new ATOM 0 HA SER A 37 4.342 15.957 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.925 13.889 -8.242 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.708 13.430 -7.068 1.00 0.00 H new ATOM 0 HG SER A 37 4.268 12.546 -9.181 1.00 0.00 H new ATOM 597 N LYS A 38 2.205 14.986 -7.278 1.00 0.00 N ATOM 598 CA LYS A 38 0.956 15.049 -6.464 1.00 0.00 C ATOM 599 C LYS A 38 0.119 13.778 -6.709 1.00 0.00 C ATOM 600 O LYS A 38 -0.810 13.805 -7.493 1.00 0.00 O ATOM 601 CB LYS A 38 0.146 16.288 -6.868 1.00 0.00 C ATOM 602 CG LYS A 38 0.354 17.400 -5.835 1.00 0.00 C ATOM 603 CD LYS A 38 -0.479 18.625 -6.224 1.00 0.00 C ATOM 604 CE LYS A 38 0.397 19.621 -6.987 1.00 0.00 C ATOM 605 NZ LYS A 38 -0.300 20.936 -7.069 1.00 0.00 N ATOM 0 H LYS A 38 2.128 14.457 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 38 1.212 15.114 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.457 16.632 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.912 16.036 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.063 17.049 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.409 17.667 -5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.324 18.321 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.890 19.096 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.357 19.737 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.606 19.245 -7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.295 21.613 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.205 20.819 -7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.477 21.295 -6.109 1.00 0.00 H new ATOM 619 N PRO A 39 0.463 12.694 -6.035 1.00 0.00 N ATOM 620 CA PRO A 39 -0.266 11.421 -6.185 1.00 0.00 C ATOM 621 C PRO A 39 -1.577 11.467 -5.395 1.00 0.00 C ATOM 622 O PRO A 39 -1.908 12.468 -4.787 1.00 0.00 O ATOM 623 CB PRO A 39 0.691 10.380 -5.597 1.00 0.00 C ATOM 624 CG PRO A 39 1.639 11.146 -4.645 1.00 0.00 C ATOM 625 CD PRO A 39 1.592 12.625 -5.071 1.00 0.00 C ATOM 0 HA PRO A 39 -0.537 11.201 -7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.141 9.608 -5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.253 9.880 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.322 11.031 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.654 10.756 -4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.425 13.280 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.529 12.936 -5.533 1.00 0.00 H new ATOM 633 N ALA A 40 -2.324 10.391 -5.400 1.00 0.00 N ATOM 634 CA ALA A 40 -3.614 10.369 -4.650 1.00 0.00 C ATOM 635 C ALA A 40 -4.242 8.976 -4.744 1.00 0.00 C ATOM 636 O ALA A 40 -3.659 8.056 -5.284 1.00 0.00 O ATOM 637 CB ALA A 40 -4.571 11.400 -5.254 1.00 0.00 C ATOM 0 H ALA A 40 -2.095 9.527 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.427 10.611 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.514 11.385 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.127 12.393 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.755 11.157 -6.301 1.00 0.00 H new ATOM 643 N VAL A 41 -5.430 8.822 -4.218 1.00 0.00 N ATOM 644 CA VAL A 41 -6.116 7.499 -4.264 1.00 0.00 C ATOM 645 C VAL A 41 -7.619 7.714 -4.062 1.00 0.00 C ATOM 646 O VAL A 41 -8.067 8.819 -3.820 1.00 0.00 O ATOM 647 CB VAL A 41 -5.525 6.579 -3.160 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.167 6.847 -1.791 1.00 0.00 C ATOM 649 CG2 VAL A 41 -5.736 5.106 -3.538 1.00 0.00 C ATOM 0 H VAL A 41 -5.957 9.563 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.960 7.017 -5.229 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.460 6.798 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.727 6.184 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.991 7.883 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.240 6.664 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.319 4.467 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.803 4.906 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.236 4.898 -4.484 1.00 0.00 H new ATOM 659 N GLU A 42 -8.386 6.664 -4.130 1.00 0.00 N ATOM 660 CA GLU A 42 -9.846 6.795 -3.907 1.00 0.00 C ATOM 661 C GLU A 42 -10.392 5.463 -3.412 1.00 0.00 C ATOM 662 O GLU A 42 -10.348 4.467 -4.109 1.00 0.00 O ATOM 663 CB GLU A 42 -10.539 7.210 -5.204 1.00 0.00 C ATOM 664 CG GLU A 42 -10.234 6.186 -6.299 1.00 0.00 C ATOM 665 CD GLU A 42 -10.367 6.847 -7.672 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.445 7.545 -8.063 1.00 0.00 O ATOM 667 OE2 GLU A 42 -11.387 6.645 -8.310 1.00 0.00 O ATOM 0 H GLU A 42 -8.061 5.718 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.038 7.564 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.615 7.280 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.197 8.198 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.226 5.791 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.920 5.342 -6.223 1.00 0.00 H new ATOM 674 N ILE A 43 -10.892 5.435 -2.204 1.00 0.00 N ATOM 675 CA ILE A 43 -11.422 4.165 -1.651 1.00 0.00 C ATOM 676 C ILE A 43 -12.941 4.149 -1.751 1.00 0.00 C ATOM 677 O ILE A 43 -13.608 5.153 -1.587 1.00 0.00 O ATOM 678 CB ILE A 43 -10.980 4.017 -0.198 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.450 4.112 -0.136 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.431 2.656 0.344 1.00 0.00 C ATOM 681 CD1 ILE A 43 -8.974 4.047 1.317 1.00 0.00 C ATOM 0 H ILE A 43 -10.954 6.240 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.029 3.327 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.427 4.806 0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.005 3.299 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.118 5.044 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.113 2.554 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.517 2.584 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.984 1.861 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.887 4.115 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.405 4.876 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.291 3.104 1.762 1.00 0.00 H new ATOM 693 N LYS A 44 -13.475 3.003 -2.037 1.00 0.00 N ATOM 694 CA LYS A 44 -14.941 2.848 -2.183 1.00 0.00 C ATOM 695 C LYS A 44 -15.331 1.567 -1.458 1.00 0.00 C ATOM 696 O LYS A 44 -15.090 0.477 -1.940 1.00 0.00 O ATOM 697 CB LYS A 44 -15.257 2.748 -3.676 1.00 0.00 C ATOM 698 CG LYS A 44 -14.656 3.957 -4.394 1.00 0.00 C ATOM 699 CD LYS A 44 -15.347 4.153 -5.737 1.00 0.00 C ATOM 700 CE LYS A 44 -15.068 2.957 -6.651 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.291 2.641 -7.441 1.00 0.00 N ATOM 0 H LYS A 44 -12.943 2.145 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.493 3.688 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.848 1.825 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.335 2.716 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.772 4.851 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.586 3.809 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.421 4.265 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.992 5.070 -6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.238 3.183 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.772 2.092 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.103 1.829 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.072 2.409 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.554 3.465 -8.019 1.00 0.00 H new ATOM 715 N GLN A 45 -15.873 1.686 -0.275 1.00 0.00 N ATOM 716 CA GLN A 45 -16.205 0.463 0.510 1.00 0.00 C ATOM 717 C GLN A 45 -17.688 0.384 0.875 1.00 0.00 C ATOM 718 O GLN A 45 -18.347 1.374 1.129 1.00 0.00 O ATOM 719 CB GLN A 45 -15.368 0.475 1.791 1.00 0.00 C ATOM 720 CG GLN A 45 -15.665 1.740 2.600 1.00 0.00 C ATOM 721 CD GLN A 45 -15.415 1.473 4.085 1.00 0.00 C ATOM 722 OE1 GLN A 45 -14.312 1.634 4.565 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.402 1.071 4.838 1.00 0.00 N ATOM 0 H GLN A 45 -16.099 2.571 0.179 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.981 -0.408 -0.106 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.590 -0.409 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.308 0.433 1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -15.034 2.559 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.699 2.048 2.445 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -17.329 0.936 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.247 0.892 5.830 1.00 0.00 H new ATOM 732 N GLU A 46 -18.193 -0.817 0.926 1.00 0.00 N ATOM 733 CA GLU A 46 -19.608 -1.049 1.304 1.00 0.00 C ATOM 734 C GLU A 46 -19.623 -2.141 2.378 1.00 0.00 C ATOM 735 O GLU A 46 -19.879 -3.299 2.098 1.00 0.00 O ATOM 736 CB GLU A 46 -20.392 -1.513 0.079 1.00 0.00 C ATOM 737 CG GLU A 46 -21.876 -1.217 0.285 1.00 0.00 C ATOM 738 CD GLU A 46 -22.581 -1.160 -1.071 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.052 -0.519 -1.964 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.637 -1.757 -1.194 1.00 0.00 O ATOM 0 H GLU A 46 -17.668 -1.666 0.716 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.066 -0.135 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.029 -1.004 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.241 -2.581 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.328 -1.988 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.999 -0.270 0.810 1.00 0.00 H new ATOM 747 N GLY A 47 -19.315 -1.784 3.600 1.00 0.00 N ATOM 748 CA GLY A 47 -19.275 -2.798 4.697 1.00 0.00 C ATOM 749 C GLY A 47 -17.936 -3.535 4.640 1.00 0.00 C ATOM 750 O GLY A 47 -16.887 -2.919 4.606 1.00 0.00 O ATOM 0 H GLY A 47 -19.089 -0.831 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.397 -2.312 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -20.099 -3.504 4.589 1.00 0.00 H new ATOM 754 N ASP A 48 -17.959 -4.846 4.619 1.00 0.00 N ATOM 755 CA ASP A 48 -16.685 -5.615 4.553 1.00 0.00 C ATOM 756 C ASP A 48 -16.143 -5.637 3.116 1.00 0.00 C ATOM 757 O ASP A 48 -15.081 -6.173 2.866 1.00 0.00 O ATOM 758 CB ASP A 48 -16.921 -7.039 5.037 1.00 0.00 C ATOM 759 CG ASP A 48 -18.085 -7.675 4.270 1.00 0.00 C ATOM 760 OD1 ASP A 48 -18.206 -7.416 3.084 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.838 -8.413 4.885 1.00 0.00 O ATOM 0 H ASP A 48 -18.807 -5.413 4.645 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.949 -5.130 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.017 -7.632 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.139 -7.036 6.105 1.00 0.00 H new ATOM 766 N THR A 49 -16.840 -5.039 2.177 1.00 0.00 N ATOM 767 CA THR A 49 -16.333 -5.007 0.778 1.00 0.00 C ATOM 768 C THR A 49 -15.486 -3.741 0.620 1.00 0.00 C ATOM 769 O THR A 49 -15.811 -2.709 1.173 1.00 0.00 O ATOM 770 CB THR A 49 -17.519 -4.961 -0.188 1.00 0.00 C ATOM 771 OG1 THR A 49 -18.359 -6.083 0.043 1.00 0.00 O ATOM 772 CG2 THR A 49 -17.010 -4.991 -1.628 1.00 0.00 C ATOM 0 H THR A 49 -17.736 -4.574 2.324 1.00 0.00 H new ATOM 0 HA THR A 49 -15.736 -5.893 0.560 1.00 0.00 H new ATOM 0 HB THR A 49 -18.084 -4.043 -0.025 1.00 0.00 H new ATOM 0 HG1 THR A 49 -19.120 -6.054 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.857 -4.958 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.366 -4.129 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.443 -5.907 -1.795 1.00 0.00 H new ATOM 780 N PHE A 50 -14.398 -3.805 -0.104 1.00 0.00 N ATOM 781 CA PHE A 50 -13.546 -2.589 -0.264 1.00 0.00 C ATOM 782 C PHE A 50 -12.954 -2.503 -1.668 1.00 0.00 C ATOM 783 O PHE A 50 -12.583 -3.489 -2.275 1.00 0.00 O ATOM 784 CB PHE A 50 -12.401 -2.619 0.748 1.00 0.00 C ATOM 785 CG PHE A 50 -12.983 -2.645 2.129 1.00 0.00 C ATOM 786 CD1 PHE A 50 -13.333 -3.861 2.702 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.195 -1.454 2.824 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.903 -3.897 3.971 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.762 -1.486 4.103 1.00 0.00 C ATOM 790 CZ PHE A 50 -14.120 -2.713 4.674 1.00 0.00 C ATOM 0 H PHE A 50 -14.065 -4.639 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.180 -1.719 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.775 -3.496 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.763 -1.744 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -13.162 -4.780 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.922 -0.510 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.178 -4.844 4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.923 -0.567 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.564 -2.742 5.658 1.00 0.00 H new ATOM 800 N TYR A 51 -12.836 -1.304 -2.155 1.00 0.00 N ATOM 801 CA TYR A 51 -12.237 -1.058 -3.489 1.00 0.00 C ATOM 802 C TYR A 51 -11.114 -0.045 -3.243 1.00 0.00 C ATOM 803 O TYR A 51 -11.229 0.802 -2.377 1.00 0.00 O ATOM 804 CB TYR A 51 -13.347 -0.534 -4.432 1.00 0.00 C ATOM 805 CG TYR A 51 -12.832 0.409 -5.505 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.493 1.722 -5.171 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.748 -0.015 -6.834 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.075 2.612 -6.154 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.315 0.879 -7.825 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.983 2.194 -7.484 1.00 0.00 C ATOM 811 OH TYR A 51 -11.580 3.081 -8.462 1.00 0.00 O ATOM 0 H TYR A 51 -13.139 -0.460 -1.668 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.824 -1.945 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.838 -1.382 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.104 -0.020 -3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.556 2.048 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -13.016 -1.028 -7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.821 3.628 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.238 0.552 -8.851 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.569 2.627 -9.331 1.00 0.00 H new ATOM 821 N ILE A 52 -10.026 -0.141 -3.951 1.00 0.00 N ATOM 822 CA ILE A 52 -8.896 0.809 -3.700 1.00 0.00 C ATOM 823 C ILE A 52 -8.222 1.152 -5.028 1.00 0.00 C ATOM 824 O ILE A 52 -7.534 0.330 -5.603 1.00 0.00 O ATOM 825 CB ILE A 52 -7.832 0.195 -2.750 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.379 -1.046 -1.997 1.00 0.00 C ATOM 827 CG2 ILE A 52 -7.364 1.260 -1.749 1.00 0.00 C ATOM 828 CD1 ILE A 52 -9.384 -0.663 -0.909 1.00 0.00 C ATOM 0 H ILE A 52 -9.865 -0.828 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.308 1.702 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.989 -0.138 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.855 -1.720 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.549 -1.591 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.617 0.829 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.927 2.100 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.215 1.608 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.740 -1.564 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.901 -0.011 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.228 -0.141 -1.361 1.00 0.00 H new ATOM 840 N LYS A 53 -8.405 2.353 -5.517 1.00 0.00 N ATOM 841 CA LYS A 53 -7.766 2.731 -6.811 1.00 0.00 C ATOM 842 C LYS A 53 -6.731 3.836 -6.594 1.00 0.00 C ATOM 843 O LYS A 53 -7.058 5.008 -6.544 1.00 0.00 O ATOM 844 CB LYS A 53 -8.839 3.201 -7.795 1.00 0.00 C ATOM 845 CG LYS A 53 -8.202 3.536 -9.155 1.00 0.00 C ATOM 846 CD LYS A 53 -8.336 5.036 -9.437 1.00 0.00 C ATOM 847 CE LYS A 53 -9.645 5.301 -10.183 1.00 0.00 C ATOM 848 NZ LYS A 53 -9.552 4.745 -11.563 1.00 0.00 N ATOM 0 H LYS A 53 -8.966 3.083 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.257 1.859 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.594 2.424 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.348 4.079 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.150 3.250 -9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.688 2.964 -9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.319 5.595 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.490 5.382 -10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.479 4.843 -9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.842 6.372 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.168 5.290 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.569 4.806 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.854 3.750 -11.557 1.00 0.00 H new ATOM 862 N THR A 54 -5.481 3.463 -6.482 1.00 0.00 N ATOM 863 CA THR A 54 -4.398 4.470 -6.286 1.00 0.00 C ATOM 864 C THR A 54 -3.852 4.881 -7.646 1.00 0.00 C ATOM 865 O THR A 54 -3.958 4.146 -8.611 1.00 0.00 O ATOM 866 CB THR A 54 -3.270 3.856 -5.456 1.00 0.00 C ATOM 867 OG1 THR A 54 -3.805 2.876 -4.578 1.00 0.00 O ATOM 868 CG2 THR A 54 -2.573 4.950 -4.645 1.00 0.00 C ATOM 0 H THR A 54 -5.163 2.494 -6.519 1.00 0.00 H new ATOM 0 HA THR A 54 -4.798 5.340 -5.766 1.00 0.00 H new ATOM 0 HB THR A 54 -2.546 3.387 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.081 2.482 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.770 4.509 -4.055 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.158 5.697 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.294 5.425 -3.979 1.00 0.00 H new ATOM 876 N SER A 55 -3.265 6.045 -7.730 1.00 0.00 N ATOM 877 CA SER A 55 -2.706 6.500 -9.029 1.00 0.00 C ATOM 878 C SER A 55 -1.951 7.817 -8.840 1.00 0.00 C ATOM 879 O SER A 55 -1.858 8.340 -7.746 1.00 0.00 O ATOM 880 CB SER A 55 -3.843 6.697 -10.034 1.00 0.00 C ATOM 881 OG SER A 55 -4.541 7.897 -9.727 1.00 0.00 O ATOM 0 H SER A 55 -3.150 6.697 -6.954 1.00 0.00 H new ATOM 0 HA SER A 55 -2.015 5.746 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.444 6.744 -11.047 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.525 5.847 -10.000 1.00 0.00 H new ATOM 0 HG SER A 55 -5.269 8.026 -10.371 1.00 0.00 H new ATOM 887 N THR A 56 -1.412 8.353 -9.905 1.00 0.00 N ATOM 888 CA THR A 56 -0.658 9.636 -9.810 1.00 0.00 C ATOM 889 C THR A 56 -0.853 10.431 -11.103 1.00 0.00 C ATOM 890 O THR A 56 -1.332 11.549 -11.090 1.00 0.00 O ATOM 891 CB THR A 56 0.827 9.339 -9.610 1.00 0.00 C ATOM 892 OG1 THR A 56 0.993 8.505 -8.472 1.00 0.00 O ATOM 893 CG2 THR A 56 1.594 10.647 -9.404 1.00 0.00 C ATOM 0 H THR A 56 -1.463 7.953 -10.842 1.00 0.00 H new ATOM 0 HA THR A 56 -1.026 10.218 -8.965 1.00 0.00 H new ATOM 0 HB THR A 56 1.216 8.832 -10.493 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.945 8.313 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.653 10.430 -9.262 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.469 11.284 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.208 11.161 -8.524 1.00 0.00 H new ATOM 901 N THR A 57 -0.485 9.855 -12.218 1.00 0.00 N ATOM 902 CA THR A 57 -0.643 10.560 -13.522 1.00 0.00 C ATOM 903 C THR A 57 -1.120 9.563 -14.579 1.00 0.00 C ATOM 904 O THR A 57 -2.233 9.643 -15.064 1.00 0.00 O ATOM 905 CB THR A 57 0.698 11.159 -13.942 1.00 0.00 C ATOM 906 OG1 THR A 57 1.185 11.998 -12.903 1.00 0.00 O ATOM 907 CG2 THR A 57 0.521 11.980 -15.221 1.00 0.00 C ATOM 0 H THR A 57 -0.080 8.921 -12.280 1.00 0.00 H new ATOM 0 HA THR A 57 -1.377 11.360 -13.422 1.00 0.00 H new ATOM 0 HB THR A 57 1.410 10.355 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.046 12.382 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.480 12.405 -15.516 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.149 11.336 -16.018 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.192 12.784 -15.041 1.00 0.00 H new ATOM 915 N VAL A 58 -0.284 8.623 -14.932 1.00 0.00 N ATOM 916 CA VAL A 58 -0.676 7.606 -15.953 1.00 0.00 C ATOM 917 C VAL A 58 -1.752 6.689 -15.366 1.00 0.00 C ATOM 918 O VAL A 58 -2.242 6.915 -14.276 1.00 0.00 O ATOM 919 CB VAL A 58 0.546 6.773 -16.340 1.00 0.00 C ATOM 920 CG1 VAL A 58 1.541 7.649 -17.104 1.00 0.00 C ATOM 921 CG2 VAL A 58 1.212 6.233 -15.074 1.00 0.00 C ATOM 0 H VAL A 58 0.658 8.515 -14.556 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.066 8.109 -16.838 1.00 0.00 H new ATOM 0 HB VAL A 58 0.234 5.942 -16.973 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.412 7.055 -17.380 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.067 8.037 -18.005 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.854 8.480 -16.472 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.084 5.638 -15.347 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.523 7.066 -14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.504 5.609 -14.528 1.00 0.00 H new ATOM 931 N ARG A 59 -2.120 5.656 -16.082 1.00 0.00 N ATOM 932 CA ARG A 59 -3.164 4.719 -15.571 1.00 0.00 C ATOM 933 C ARG A 59 -2.616 3.958 -14.361 1.00 0.00 C ATOM 934 O ARG A 59 -1.425 3.952 -14.111 1.00 0.00 O ATOM 935 CB ARG A 59 -3.540 3.725 -16.673 1.00 0.00 C ATOM 936 CG ARG A 59 -4.344 4.446 -17.757 1.00 0.00 C ATOM 937 CD ARG A 59 -5.115 3.420 -18.590 1.00 0.00 C ATOM 938 NE ARG A 59 -6.307 4.073 -19.201 1.00 0.00 N ATOM 939 CZ ARG A 59 -7.422 3.408 -19.329 1.00 0.00 C ATOM 940 NH1 ARG A 59 -7.586 2.597 -20.338 1.00 0.00 N ATOM 941 NH2 ARG A 59 -8.374 3.554 -18.448 1.00 0.00 N ATOM 0 H ARG A 59 -1.741 5.422 -17.000 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.048 5.284 -15.275 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.640 3.286 -17.104 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.126 2.906 -16.255 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.036 5.154 -17.301 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.676 5.022 -18.398 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.472 3.011 -19.369 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.426 2.585 -17.962 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.251 5.040 -19.519 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.842 2.483 -21.027 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.458 2.077 -20.438 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.246 4.188 -17.659 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.246 3.034 -18.548 1.00 0.00 H new ATOM 955 N THR A 60 -3.477 3.320 -13.609 1.00 0.00 N ATOM 956 CA THR A 60 -3.014 2.560 -12.411 1.00 0.00 C ATOM 957 C THR A 60 -3.961 1.385 -12.152 1.00 0.00 C ATOM 958 O THR A 60 -5.002 1.269 -12.772 1.00 0.00 O ATOM 959 CB THR A 60 -3.000 3.486 -11.193 1.00 0.00 C ATOM 960 OG1 THR A 60 -2.577 4.781 -11.592 1.00 0.00 O ATOM 961 CG2 THR A 60 -2.036 2.936 -10.140 1.00 0.00 C ATOM 0 H THR A 60 -4.483 3.293 -13.775 1.00 0.00 H new ATOM 0 HA THR A 60 -2.008 2.180 -12.589 1.00 0.00 H new ATOM 0 HB THR A 60 -4.002 3.543 -10.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.631 4.900 -11.366 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.028 3.597 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.360 1.941 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.032 2.877 -10.561 1.00 0.00 H new ATOM 969 N THR A 61 -3.606 0.513 -11.241 1.00 0.00 N ATOM 970 CA THR A 61 -4.479 -0.660 -10.937 1.00 0.00 C ATOM 971 C THR A 61 -5.258 -0.401 -9.643 1.00 0.00 C ATOM 972 O THR A 61 -5.002 0.556 -8.937 1.00 0.00 O ATOM 973 CB THR A 61 -3.613 -1.909 -10.771 1.00 0.00 C ATOM 974 OG1 THR A 61 -4.426 -2.997 -10.355 1.00 0.00 O ATOM 975 CG2 THR A 61 -2.534 -1.645 -9.723 1.00 0.00 C ATOM 0 H THR A 61 -2.747 0.564 -10.694 1.00 0.00 H new ATOM 0 HA THR A 61 -5.182 -0.810 -11.757 1.00 0.00 H new ATOM 0 HB THR A 61 -3.141 -2.154 -11.722 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.872 -3.798 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.916 -2.535 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.910 -0.811 -10.045 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.004 -1.400 -8.771 1.00 0.00 H new ATOM 983 N GLU A 62 -6.207 -1.249 -9.332 1.00 0.00 N ATOM 984 CA GLU A 62 -7.009 -1.061 -8.087 1.00 0.00 C ATOM 985 C GLU A 62 -7.514 -2.423 -7.593 1.00 0.00 C ATOM 986 O GLU A 62 -7.953 -3.246 -8.376 1.00 0.00 O ATOM 987 CB GLU A 62 -8.196 -0.116 -8.376 1.00 0.00 C ATOM 988 CG GLU A 62 -9.188 -0.743 -9.368 1.00 0.00 C ATOM 989 CD GLU A 62 -8.584 -0.752 -10.774 1.00 0.00 C ATOM 990 OE1 GLU A 62 -8.039 0.265 -11.169 1.00 0.00 O ATOM 991 OE2 GLU A 62 -8.676 -1.776 -11.430 1.00 0.00 O ATOM 0 H GLU A 62 -6.460 -2.065 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.387 -0.615 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.711 0.118 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.823 0.825 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.429 -1.760 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.121 -0.180 -9.367 1.00 0.00 H new ATOM 998 N ILE A 63 -7.461 -2.670 -6.301 1.00 0.00 N ATOM 999 CA ILE A 63 -7.956 -3.984 -5.786 1.00 0.00 C ATOM 1000 C ILE A 63 -9.436 -3.874 -5.462 1.00 0.00 C ATOM 1001 O ILE A 63 -9.834 -3.323 -4.454 1.00 0.00 O ATOM 1002 CB ILE A 63 -7.187 -4.459 -4.539 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -7.240 -3.397 -3.420 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.753 -4.766 -4.944 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -6.216 -3.694 -2.312 1.00 0.00 C ATOM 0 H ILE A 63 -7.102 -2.028 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.790 -4.725 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.651 -5.361 -4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.045 -2.412 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.242 -3.367 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.193 -5.104 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.749 -5.548 -5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.288 -3.866 -5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.281 -2.926 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.428 -4.669 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.212 -3.698 -2.736 1.00 0.00 H new ATOM 1017 N ASN A 64 -10.250 -4.426 -6.309 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.718 -4.407 -6.052 1.00 0.00 C ATOM 1019 C ASN A 64 -12.053 -5.725 -5.369 1.00 0.00 C ATOM 1020 O ASN A 64 -12.520 -6.671 -5.975 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.544 -4.237 -7.345 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.878 -4.904 -8.566 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.981 -4.396 -9.666 1.00 0.00 O ATOM 1024 ND2 ASN A 64 -11.200 -6.014 -8.435 1.00 0.00 N ATOM 0 H ASN A 64 -9.966 -4.891 -7.171 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.974 -3.551 -5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.535 -4.665 -7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.682 -3.175 -7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.764 -6.445 -9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.107 -6.449 -7.517 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.754 -5.793 -4.110 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.958 -7.049 -3.348 1.00 0.00 C ATOM 1033 C PHE A 65 -12.961 -6.840 -2.207 1.00 0.00 C ATOM 1034 O PHE A 65 -13.707 -5.889 -2.180 1.00 0.00 O ATOM 1035 CB PHE A 65 -10.576 -7.447 -2.768 1.00 0.00 C ATOM 1036 CG PHE A 65 -10.183 -6.484 -1.646 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.659 -5.217 -1.953 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -10.381 -6.847 -0.303 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -9.333 -4.323 -0.929 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -10.058 -5.951 0.718 1.00 0.00 C ATOM 1041 CZ PHE A 65 -9.535 -4.691 0.407 1.00 0.00 C ATOM 0 H PHE A 65 -11.371 -5.020 -3.566 1.00 0.00 H new ATOM 0 HA PHE A 65 -12.360 -7.828 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.613 -8.467 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.823 -7.428 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.508 -4.933 -2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.783 -7.820 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.927 -3.351 -1.168 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.212 -6.231 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.286 -4.000 1.199 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.916 -7.725 -1.253 1.00 0.00 N ATOM 1052 CA LYS A 66 -13.765 -7.640 -0.047 1.00 0.00 C ATOM 1053 C LYS A 66 -12.954 -8.310 1.054 1.00 0.00 C ATOM 1054 O LYS A 66 -12.518 -9.434 0.903 1.00 0.00 O ATOM 1055 CB LYS A 66 -15.098 -8.362 -0.256 1.00 0.00 C ATOM 1056 CG LYS A 66 -14.874 -9.712 -0.937 1.00 0.00 C ATOM 1057 CD LYS A 66 -16.176 -10.517 -0.920 1.00 0.00 C ATOM 1058 CE LYS A 66 -16.289 -11.336 -2.207 1.00 0.00 C ATOM 1059 NZ LYS A 66 -17.599 -12.046 -2.230 1.00 0.00 N ATOM 0 H LYS A 66 -12.297 -8.536 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.016 -6.608 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.593 -8.510 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.760 -7.746 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.541 -9.562 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.087 -10.264 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.196 -11.178 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.030 -9.845 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.202 -10.683 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.472 -12.055 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.677 -12.603 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.664 -12.680 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.371 -11.351 -2.193 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.690 -7.610 2.127 1.00 0.00 N ATOM 1074 CA VAL A 67 -11.842 -8.172 3.227 1.00 0.00 C ATOM 1075 C VAL A 67 -12.254 -9.616 3.555 1.00 0.00 C ATOM 1076 O VAL A 67 -13.402 -9.995 3.422 1.00 0.00 O ATOM 1077 CB VAL A 67 -11.958 -7.278 4.461 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -11.109 -7.859 5.595 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -11.432 -5.883 4.124 1.00 0.00 C ATOM 0 H VAL A 67 -13.029 -6.662 2.292 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.803 -8.196 2.899 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.002 -7.223 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.192 -7.221 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.463 -8.861 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.067 -7.909 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.513 -5.242 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.388 -5.952 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.020 -5.459 3.310 1.00 0.00 H new ATOM 1089 N GLY A 68 -11.300 -10.420 3.932 1.00 0.00 N ATOM 1090 CA GLY A 68 -11.585 -11.852 4.217 1.00 0.00 C ATOM 1091 C GLY A 68 -11.318 -12.671 2.943 1.00 0.00 C ATOM 1092 O GLY A 68 -11.758 -13.798 2.819 1.00 0.00 O ATOM 0 H GLY A 68 -10.326 -10.143 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.956 -12.207 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.620 -11.975 4.535 1.00 0.00 H new ATOM 1096 N GLU A 69 -10.599 -12.106 1.992 1.00 0.00 N ATOM 1097 CA GLU A 69 -10.301 -12.835 0.729 1.00 0.00 C ATOM 1098 C GLU A 69 -8.893 -12.465 0.253 1.00 0.00 C ATOM 1099 O GLU A 69 -8.262 -11.567 0.784 1.00 0.00 O ATOM 1100 CB GLU A 69 -11.322 -12.443 -0.342 1.00 0.00 C ATOM 1101 CG GLU A 69 -12.646 -13.161 -0.074 1.00 0.00 C ATOM 1102 CD GLU A 69 -12.541 -14.616 -0.536 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -12.575 -14.840 -1.735 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -12.428 -15.481 0.317 1.00 0.00 O ATOM 0 H GLU A 69 -10.208 -11.165 2.046 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.358 -13.909 0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.474 -11.364 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.947 -12.707 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.884 -13.122 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.457 -12.659 -0.601 1.00 0.00 H new ATOM 1111 N GLU A 70 -8.390 -13.166 -0.731 1.00 0.00 N ATOM 1112 CA GLU A 70 -7.012 -12.881 -1.238 1.00 0.00 C ATOM 1113 C GLU A 70 -7.027 -12.443 -2.697 1.00 0.00 C ATOM 1114 O GLU A 70 -7.991 -12.622 -3.415 1.00 0.00 O ATOM 1115 CB GLU A 70 -6.160 -14.153 -1.170 1.00 0.00 C ATOM 1116 CG GLU A 70 -6.942 -15.344 -1.734 1.00 0.00 C ATOM 1117 CD GLU A 70 -7.544 -16.158 -0.586 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -6.806 -16.908 0.032 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -8.731 -16.016 -0.344 1.00 0.00 O ATOM 0 H GLU A 70 -8.875 -13.926 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.605 -12.085 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.239 -14.013 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.873 -14.353 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.733 -14.991 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.283 -15.973 -2.332 1.00 0.00 H new ATOM 1126 N PHE A 71 -5.909 -11.935 -3.145 1.00 0.00 N ATOM 1127 CA PHE A 71 -5.760 -11.546 -4.570 1.00 0.00 C ATOM 1128 C PHE A 71 -4.576 -12.336 -5.103 1.00 0.00 C ATOM 1129 O PHE A 71 -4.030 -13.177 -4.418 1.00 0.00 O ATOM 1130 CB PHE A 71 -5.454 -10.043 -4.760 1.00 0.00 C ATOM 1131 CG PHE A 71 -6.021 -9.174 -3.658 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -7.295 -9.412 -3.128 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -5.261 -8.095 -3.189 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -7.799 -8.567 -2.127 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.770 -7.254 -2.200 1.00 0.00 C ATOM 1136 CZ PHE A 71 -7.033 -7.489 -1.670 1.00 0.00 C ATOM 0 H PHE A 71 -5.082 -11.772 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.696 -11.750 -5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -4.374 -9.902 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.859 -9.715 -5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.886 -10.241 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.277 -7.914 -3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.778 -8.749 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.183 -6.420 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.425 -6.837 -0.903 1.00 0.00 H new ATOM 1146 N GLU A 72 -4.160 -12.057 -6.299 1.00 0.00 N ATOM 1147 CA GLU A 72 -2.983 -12.774 -6.862 1.00 0.00 C ATOM 1148 C GLU A 72 -1.978 -11.757 -7.373 1.00 0.00 C ATOM 1149 O GLU A 72 -2.315 -10.622 -7.657 1.00 0.00 O ATOM 1150 CB GLU A 72 -3.403 -13.677 -8.011 1.00 0.00 C ATOM 1151 CG GLU A 72 -4.518 -14.604 -7.541 1.00 0.00 C ATOM 1152 CD GLU A 72 -5.290 -15.135 -8.750 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -5.630 -14.337 -9.609 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -5.528 -16.330 -8.798 1.00 0.00 O ATOM 0 H GLU A 72 -4.582 -11.363 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.538 -13.386 -6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.745 -13.077 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.551 -14.261 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.099 -15.434 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.193 -14.068 -6.873 1.00 0.00 H new ATOM 1161 N GLU A 73 -0.747 -12.158 -7.491 1.00 0.00 N ATOM 1162 CA GLU A 73 0.299 -11.216 -7.988 1.00 0.00 C ATOM 1163 C GLU A 73 1.583 -11.971 -8.326 1.00 0.00 C ATOM 1164 O GLU A 73 1.653 -13.181 -8.229 1.00 0.00 O ATOM 1165 CB GLU A 73 0.591 -10.171 -6.908 1.00 0.00 C ATOM 1166 CG GLU A 73 0.891 -8.821 -7.567 1.00 0.00 C ATOM 1167 CD GLU A 73 0.336 -7.691 -6.698 1.00 0.00 C ATOM 1168 OE1 GLU A 73 -0.873 -7.624 -6.549 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.129 -6.912 -6.196 1.00 0.00 O ATOM 0 H GLU A 73 -0.416 -13.096 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.066 -10.727 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.263 -10.078 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.439 -10.488 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.966 -8.699 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.444 -8.783 -8.560 1.00 0.00 H new ATOM 1176 N GLN A 74 2.596 -11.251 -8.728 1.00 0.00 N ATOM 1177 CA GLN A 74 3.897 -11.892 -9.081 1.00 0.00 C ATOM 1178 C GLN A 74 5.045 -11.026 -8.557 1.00 0.00 C ATOM 1179 O GLN A 74 5.010 -9.813 -8.657 1.00 0.00 O ATOM 1180 CB GLN A 74 4.015 -12.015 -10.599 1.00 0.00 C ATOM 1181 CG GLN A 74 3.058 -13.098 -11.101 1.00 0.00 C ATOM 1182 CD GLN A 74 2.681 -12.812 -12.556 1.00 0.00 C ATOM 1183 OE1 GLN A 74 1.841 -11.976 -12.825 1.00 0.00 O ATOM 1184 NE2 GLN A 74 3.271 -13.476 -13.513 1.00 0.00 N ATOM 0 H GLN A 74 2.578 -10.236 -8.828 1.00 0.00 H new ATOM 0 HA GLN A 74 3.945 -12.884 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.780 -11.061 -11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.040 -12.264 -10.875 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.528 -14.078 -11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.162 -13.123 -10.480 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.976 -14.178 -13.287 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.027 -13.293 -14.486 1.00 0.00 H new ATOM 1193 N THR A 75 6.059 -11.638 -8.000 1.00 0.00 N ATOM 1194 CA THR A 75 7.210 -10.851 -7.466 1.00 0.00 C ATOM 1195 C THR A 75 7.986 -10.242 -8.633 1.00 0.00 C ATOM 1196 O THR A 75 7.489 -10.163 -9.742 1.00 0.00 O ATOM 1197 CB THR A 75 8.137 -11.765 -6.659 1.00 0.00 C ATOM 1198 OG1 THR A 75 8.769 -12.688 -7.532 1.00 0.00 O ATOM 1199 CG2 THR A 75 7.324 -12.517 -5.611 1.00 0.00 C ATOM 0 H THR A 75 6.139 -12.649 -7.892 1.00 0.00 H new ATOM 0 HA THR A 75 6.836 -10.059 -6.817 1.00 0.00 H new ATOM 0 HB THR A 75 8.898 -11.165 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.131 -13.388 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.984 -13.167 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.845 -11.803 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.561 -13.119 -6.105 1.00 0.00 H new ATOM 1207 N VAL A 76 9.200 -9.812 -8.395 1.00 0.00 N ATOM 1208 CA VAL A 76 10.007 -9.210 -9.489 1.00 0.00 C ATOM 1209 C VAL A 76 10.760 -10.313 -10.236 1.00 0.00 C ATOM 1210 O VAL A 76 10.698 -10.406 -11.448 1.00 0.00 O ATOM 1211 CB VAL A 76 11.004 -8.212 -8.906 1.00 0.00 C ATOM 1212 CG1 VAL A 76 11.719 -7.479 -10.042 1.00 0.00 C ATOM 1213 CG2 VAL A 76 10.263 -7.198 -8.031 1.00 0.00 C ATOM 0 H VAL A 76 9.664 -9.854 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 76 9.344 -8.691 -10.182 1.00 0.00 H new ATOM 0 HB VAL A 76 11.737 -8.746 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.431 -6.767 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.250 -8.200 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.987 -6.947 -10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.976 -6.486 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.528 -6.665 -8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.756 -7.720 -7.219 1.00 0.00 H new ATOM 1223 N ASP A 77 11.470 -11.148 -9.520 1.00 0.00 N ATOM 1224 CA ASP A 77 12.230 -12.249 -10.181 1.00 0.00 C ATOM 1225 C ASP A 77 12.519 -13.354 -9.163 1.00 0.00 C ATOM 1226 O ASP A 77 13.367 -13.210 -8.302 1.00 0.00 O ATOM 1227 CB ASP A 77 13.550 -11.701 -10.726 1.00 0.00 C ATOM 1228 CG ASP A 77 13.362 -11.273 -12.182 1.00 0.00 C ATOM 1229 OD1 ASP A 77 12.708 -11.999 -12.913 1.00 0.00 O ATOM 1230 OD2 ASP A 77 13.874 -10.225 -12.542 1.00 0.00 O ATOM 0 H ASP A 77 11.555 -11.113 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 77 11.639 -12.657 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.879 -10.853 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.328 -12.461 -10.657 1.00 0.00 H new ATOM 1235 N GLY A 78 11.818 -14.456 -9.257 1.00 0.00 N ATOM 1236 CA GLY A 78 12.044 -15.579 -8.300 1.00 0.00 C ATOM 1237 C GLY A 78 10.794 -16.458 -8.238 1.00 0.00 C ATOM 1238 O GLY A 78 10.649 -17.400 -8.994 1.00 0.00 O ATOM 0 H GLY A 78 11.097 -14.626 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.903 -16.172 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 78 12.274 -15.186 -7.310 1.00 0.00 H new ATOM 1242 N ARG A 79 9.892 -16.154 -7.340 1.00 0.00 N ATOM 1243 CA ARG A 79 8.645 -16.965 -7.217 1.00 0.00 C ATOM 1244 C ARG A 79 7.427 -16.032 -7.320 1.00 0.00 C ATOM 1245 O ARG A 79 7.579 -14.833 -7.217 1.00 0.00 O ATOM 1246 CB ARG A 79 8.639 -17.671 -5.857 1.00 0.00 C ATOM 1247 CG ARG A 79 9.265 -19.067 -5.992 1.00 0.00 C ATOM 1248 CD ARG A 79 8.184 -20.141 -5.837 1.00 0.00 C ATOM 1249 NE ARG A 79 7.758 -20.616 -7.183 1.00 0.00 N ATOM 1250 CZ ARG A 79 7.451 -21.872 -7.363 1.00 0.00 C ATOM 1251 NH1 ARG A 79 8.308 -22.804 -7.050 1.00 0.00 N ATOM 1252 NH2 ARG A 79 6.286 -22.195 -7.855 1.00 0.00 N ATOM 0 H ARG A 79 9.967 -15.376 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 79 8.602 -17.708 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.196 -17.082 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.618 -17.755 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.750 -19.165 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.037 -19.204 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.567 -20.976 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.329 -19.736 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 79 7.706 -19.961 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.218 -22.551 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.068 -23.785 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.616 -21.466 -8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.046 -23.176 -7.996 1.00 0.00 H new ATOM 1266 N PRO A 80 6.244 -16.590 -7.513 1.00 0.00 N ATOM 1267 CA PRO A 80 5.019 -15.778 -7.618 1.00 0.00 C ATOM 1268 C PRO A 80 4.611 -15.270 -6.233 1.00 0.00 C ATOM 1269 O PRO A 80 5.316 -15.478 -5.263 1.00 0.00 O ATOM 1270 CB PRO A 80 3.984 -16.745 -8.194 1.00 0.00 C ATOM 1271 CG PRO A 80 4.491 -18.170 -7.875 1.00 0.00 C ATOM 1272 CD PRO A 80 6.008 -18.052 -7.637 1.00 0.00 C ATOM 0 HA PRO A 80 5.136 -14.892 -8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.003 -16.574 -7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.876 -16.603 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.990 -18.572 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.280 -18.851 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.312 -18.583 -6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.575 -18.478 -8.464 1.00 0.00 H new ATOM 1280 N CYS A 81 3.489 -14.600 -6.132 1.00 0.00 N ATOM 1281 CA CYS A 81 3.057 -14.074 -4.803 1.00 0.00 C ATOM 1282 C CYS A 81 1.609 -13.591 -4.856 1.00 0.00 C ATOM 1283 O CYS A 81 1.176 -12.967 -5.803 1.00 0.00 O ATOM 1284 CB CYS A 81 3.967 -12.903 -4.399 1.00 0.00 C ATOM 1285 SG CYS A 81 3.910 -11.605 -5.663 1.00 0.00 S ATOM 0 H CYS A 81 2.859 -14.396 -6.908 1.00 0.00 H new ATOM 0 HA CYS A 81 3.131 -14.878 -4.070 1.00 0.00 H new ATOM 0 HB2 CYS A 81 3.648 -12.500 -3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.991 -13.255 -4.274 1.00 0.00 H new ATOM 0 HG CYS A 81 4.681 -10.620 -5.309 1.00 0.00 H new ATOM 1291 N LYS A 82 0.878 -13.864 -3.817 1.00 0.00 N ATOM 1292 CA LYS A 82 -0.537 -13.426 -3.734 1.00 0.00 C ATOM 1293 C LYS A 82 -0.676 -12.493 -2.538 1.00 0.00 C ATOM 1294 O LYS A 82 0.303 -12.104 -1.928 1.00 0.00 O ATOM 1295 CB LYS A 82 -1.431 -14.646 -3.540 1.00 0.00 C ATOM 1296 CG LYS A 82 -0.985 -15.441 -2.300 1.00 0.00 C ATOM 1297 CD LYS A 82 -1.818 -16.730 -2.156 1.00 0.00 C ATOM 1298 CE LYS A 82 -3.309 -16.439 -2.375 1.00 0.00 C ATOM 1299 NZ LYS A 82 -4.132 -17.338 -1.516 1.00 0.00 N ATOM 0 H LYS A 82 1.210 -14.384 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.832 -12.911 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.468 -14.331 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.387 -15.282 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.073 -15.692 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.098 -14.826 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.477 -17.472 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.667 -17.158 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.524 -15.397 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.567 -16.587 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.652 -18.010 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.511 -17.862 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.808 -16.770 -0.966 1.00 0.00 H new ATOM 1313 N SER A 83 -1.877 -12.130 -2.206 1.00 0.00 N ATOM 1314 CA SER A 83 -2.087 -11.213 -1.050 1.00 0.00 C ATOM 1315 C SER A 83 -3.356 -11.585 -0.298 1.00 0.00 C ATOM 1316 O SER A 83 -4.082 -12.470 -0.692 1.00 0.00 O ATOM 1317 CB SER A 83 -2.224 -9.787 -1.570 1.00 0.00 C ATOM 1318 OG SER A 83 -3.210 -9.767 -2.596 1.00 0.00 O ATOM 0 H SER A 83 -2.728 -12.427 -2.684 1.00 0.00 H new ATOM 0 HA SER A 83 -1.236 -11.295 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.508 -9.115 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.269 -9.433 -1.957 1.00 0.00 H new ATOM 0 HG SER A 83 -3.978 -9.234 -2.302 1.00 0.00 H new ATOM 1324 N LEU A 84 -3.628 -10.898 0.779 1.00 0.00 N ATOM 1325 CA LEU A 84 -4.869 -11.195 1.557 1.00 0.00 C ATOM 1326 C LEU A 84 -5.131 -10.089 2.574 1.00 0.00 C ATOM 1327 O LEU A 84 -4.338 -9.849 3.460 1.00 0.00 O ATOM 1328 CB LEU A 84 -4.725 -12.537 2.268 1.00 0.00 C ATOM 1329 CG LEU A 84 -6.040 -13.304 2.149 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -5.766 -14.800 2.260 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -6.991 -12.868 3.261 1.00 0.00 C ATOM 0 H LEU A 84 -3.048 -10.147 1.154 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.714 -11.245 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.912 -13.112 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.472 -12.383 3.317 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.499 -13.092 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.704 -15.349 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.092 -15.107 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.306 -15.015 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.929 -13.417 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.537 -13.076 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.187 -11.799 3.174 1.00 0.00 H new ATOM 1343 N VAL A 85 -6.245 -9.414 2.438 1.00 0.00 N ATOM 1344 CA VAL A 85 -6.581 -8.299 3.371 1.00 0.00 C ATOM 1345 C VAL A 85 -7.361 -8.820 4.590 1.00 0.00 C ATOM 1346 O VAL A 85 -8.163 -9.727 4.497 1.00 0.00 O ATOM 1347 CB VAL A 85 -7.410 -7.253 2.602 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -8.007 -6.204 3.557 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -6.503 -6.547 1.592 1.00 0.00 C ATOM 0 H VAL A 85 -6.941 -9.591 1.714 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.663 -7.844 3.743 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.229 -7.764 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.587 -5.479 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.656 -6.698 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.202 -5.691 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.080 -5.804 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.686 -6.054 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.096 -7.279 0.895 1.00 0.00 H new ATOM 1359 N LYS A 86 -7.129 -8.210 5.725 1.00 0.00 N ATOM 1360 CA LYS A 86 -7.835 -8.596 6.973 1.00 0.00 C ATOM 1361 C LYS A 86 -7.986 -7.351 7.853 1.00 0.00 C ATOM 1362 O LYS A 86 -7.889 -6.235 7.383 1.00 0.00 O ATOM 1363 CB LYS A 86 -7.022 -9.665 7.708 1.00 0.00 C ATOM 1364 CG LYS A 86 -7.952 -10.747 8.272 1.00 0.00 C ATOM 1365 CD LYS A 86 -8.725 -11.433 7.135 1.00 0.00 C ATOM 1366 CE LYS A 86 -10.195 -10.986 7.152 1.00 0.00 C ATOM 1367 NZ LYS A 86 -11.059 -12.136 7.542 1.00 0.00 N ATOM 0 H LYS A 86 -6.464 -7.444 5.836 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.820 -9.002 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.300 -10.115 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.453 -9.207 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.369 -11.486 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.652 -10.302 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.272 -11.184 6.175 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.665 -12.516 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.328 -10.163 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.485 -10.616 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.045 -11.933 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.740 -12.993 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.996 -12.285 8.569 1.00 0.00 H new ATOM 1381 N TRP A 87 -8.247 -7.539 9.115 1.00 0.00 N ATOM 1382 CA TRP A 87 -8.434 -6.379 10.039 1.00 0.00 C ATOM 1383 C TRP A 87 -7.473 -6.441 11.220 1.00 0.00 C ATOM 1384 O TRP A 87 -6.645 -7.322 11.342 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.844 -6.425 10.590 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.777 -6.242 9.473 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -11.431 -7.233 8.855 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -11.148 -5.011 8.809 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -12.224 -6.687 7.877 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -12.076 -5.319 7.801 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.780 -3.668 8.992 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.626 -4.335 6.994 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -11.328 -2.668 8.177 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -12.251 -3.002 7.180 1.00 0.00 C ATOM 0 H TRP A 87 -8.340 -8.455 9.554 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.245 -5.464 9.477 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -10.027 -7.378 11.087 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.986 -5.644 11.337 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.349 -8.285 9.087 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.848 -7.228 7.279 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -10.072 -3.405 9.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -13.339 -4.597 6.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.037 -1.638 8.319 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.673 -2.230 6.554 1.00 0.00 H new ATOM 1405 N GLU A 88 -7.619 -5.494 12.098 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.781 -5.421 13.319 1.00 0.00 C ATOM 1407 C GLU A 88 -7.720 -5.055 14.474 1.00 0.00 C ATOM 1408 O GLU A 88 -7.829 -5.759 15.460 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.689 -4.347 13.085 1.00 0.00 C ATOM 1410 CG GLU A 88 -5.297 -3.597 14.376 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.789 -3.332 14.384 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -3.039 -4.293 14.420 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -3.411 -2.172 14.354 1.00 0.00 O ATOM 0 H GLU A 88 -8.306 -4.745 12.016 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.278 -6.359 13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.803 -4.823 12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.046 -3.628 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.841 -2.655 14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.577 -4.186 15.249 1.00 0.00 H new ATOM 1420 N SER A 89 -8.391 -3.949 14.336 1.00 0.00 N ATOM 1421 CA SER A 89 -9.335 -3.489 15.388 1.00 0.00 C ATOM 1422 C SER A 89 -10.733 -3.345 14.785 1.00 0.00 C ATOM 1423 O SER A 89 -11.705 -3.862 15.296 1.00 0.00 O ATOM 1424 CB SER A 89 -8.872 -2.127 15.904 1.00 0.00 C ATOM 1425 OG SER A 89 -8.625 -1.269 14.792 1.00 0.00 O ATOM 0 H SER A 89 -8.324 -3.334 13.525 1.00 0.00 H new ATOM 0 HA SER A 89 -9.361 -4.211 16.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.632 -1.692 16.554 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.967 -2.238 16.502 1.00 0.00 H new ATOM 0 HG SER A 89 -8.329 -0.392 15.115 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.817 -2.631 13.698 1.00 0.00 N ATOM 1432 CA GLU A 90 -12.118 -2.390 12.995 1.00 0.00 C ATOM 1433 C GLU A 90 -11.881 -1.291 11.960 1.00 0.00 C ATOM 1434 O GLU A 90 -12.409 -1.318 10.865 1.00 0.00 O ATOM 1435 CB GLU A 90 -13.207 -1.930 13.979 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.687 -0.763 14.825 1.00 0.00 C ATOM 1437 CD GLU A 90 -13.205 -0.895 16.259 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -14.307 -0.438 16.515 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -12.491 -1.452 17.077 1.00 0.00 O ATOM 0 H GLU A 90 -10.014 -2.189 13.250 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.458 -3.315 12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.099 -1.624 13.431 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.498 -2.758 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.597 -0.756 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.014 0.184 14.396 1.00 0.00 H new ATOM 1446 N ASN A 91 -11.043 -0.351 12.301 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.687 0.747 11.361 1.00 0.00 C ATOM 1448 C ASN A 91 -9.232 0.557 10.921 1.00 0.00 C ATOM 1449 O ASN A 91 -8.710 1.343 10.156 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.826 2.096 12.054 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.257 2.295 12.557 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.059 1.382 12.542 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.612 3.471 12.997 1.00 0.00 N ATOM 0 H ASN A 91 -10.582 -0.298 13.209 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.354 0.721 10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.129 2.156 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.563 2.896 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.564 3.625 13.329 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.937 4.236 13.009 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.573 -0.487 11.388 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.182 -0.737 10.972 1.00 0.00 C ATOM 1462 C LYS A 92 -7.171 -2.101 10.291 1.00 0.00 C ATOM 1463 O LYS A 92 -7.612 -3.078 10.856 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.267 -0.753 12.195 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.835 -0.489 11.747 1.00 0.00 C ATOM 1466 CD LYS A 92 -4.174 -1.800 11.318 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.678 -1.571 11.099 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.939 -2.839 11.357 1.00 0.00 N ATOM 0 H LYS A 92 -8.957 -1.169 12.042 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.824 0.042 10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.583 0.005 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.332 -1.716 12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.829 0.220 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.268 -0.035 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.328 -2.563 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.634 -2.168 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.496 -1.233 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.318 -0.786 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.936 -2.713 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.020 -3.089 12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.344 -3.601 10.777 1.00 0.00 H new ATOM 1482 N MET A 93 -6.697 -2.173 9.083 1.00 0.00 N ATOM 1483 CA MET A 93 -6.683 -3.470 8.358 1.00 0.00 C ATOM 1484 C MET A 93 -5.305 -3.726 7.779 1.00 0.00 C ATOM 1485 O MET A 93 -4.484 -2.837 7.649 1.00 0.00 O ATOM 1486 CB MET A 93 -7.721 -3.511 7.215 1.00 0.00 C ATOM 1487 CG MET A 93 -8.099 -2.104 6.724 1.00 0.00 C ATOM 1488 SD MET A 93 -8.401 -2.135 4.937 1.00 0.00 S ATOM 1489 CE MET A 93 -9.580 -3.508 4.928 1.00 0.00 C ATOM 0 H MET A 93 -6.316 -1.383 8.562 1.00 0.00 H new ATOM 0 HA MET A 93 -6.942 -4.243 9.081 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.320 -4.089 6.383 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.617 -4.027 7.559 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.990 -1.754 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 93 -7.298 -1.402 6.954 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.011 -3.611 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 93 -9.066 -4.431 5.198 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.374 -3.311 5.649 1.00 0.00 H new ATOM 1499 N VAL A 94 -5.059 -4.952 7.444 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.742 -5.339 6.875 1.00 0.00 C ATOM 1501 C VAL A 94 -3.932 -5.969 5.505 1.00 0.00 C ATOM 1502 O VAL A 94 -5.023 -6.049 4.979 1.00 0.00 O ATOM 1503 CB VAL A 94 -3.076 -6.369 7.792 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -2.515 -5.676 9.028 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -4.113 -7.408 8.213 1.00 0.00 C ATOM 0 H VAL A 94 -5.724 -5.719 7.541 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.121 -4.448 6.788 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.261 -6.858 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.043 -6.414 9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.777 -4.934 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.324 -5.184 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.645 -8.145 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.926 -6.915 8.745 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.508 -7.907 7.328 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.860 -6.430 4.944 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.907 -7.096 3.622 1.00 0.00 C ATOM 1517 C CYS A 95 -1.600 -7.843 3.457 1.00 0.00 C ATOM 1518 O CYS A 95 -0.702 -7.397 2.773 1.00 0.00 O ATOM 1519 CB CYS A 95 -3.066 -6.065 2.516 1.00 0.00 C ATOM 1520 SG CYS A 95 -3.307 -6.918 0.937 1.00 0.00 S ATOM 0 H CYS A 95 -1.929 -6.372 5.356 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.756 -7.777 3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.917 -5.417 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.183 -5.427 2.467 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.157 -6.073 -0.040 1.00 0.00 H new ATOM 1526 N GLU A 96 -1.473 -8.958 4.120 1.00 0.00 N ATOM 1527 CA GLU A 96 -0.197 -9.717 4.052 1.00 0.00 C ATOM 1528 C GLU A 96 0.015 -10.308 2.662 1.00 0.00 C ATOM 1529 O GLU A 96 -0.678 -11.217 2.245 1.00 0.00 O ATOM 1530 CB GLU A 96 -0.196 -10.842 5.084 1.00 0.00 C ATOM 1531 CG GLU A 96 1.207 -11.450 5.144 1.00 0.00 C ATOM 1532 CD GLU A 96 1.182 -12.718 5.999 1.00 0.00 C ATOM 1533 OE1 GLU A 96 0.589 -13.691 5.564 1.00 0.00 O ATOM 1534 OE2 GLU A 96 1.757 -12.695 7.075 1.00 0.00 O ATOM 0 H GLU A 96 -2.197 -9.375 4.705 1.00 0.00 H new ATOM 0 HA GLU A 96 0.616 -9.023 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.484 -10.458 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.927 -11.604 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.556 -11.685 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.909 -10.730 5.565 1.00 0.00 H new ATOM 1541 N GLN A 97 0.993 -9.807 1.959 1.00 0.00 N ATOM 1542 CA GLN A 97 1.302 -10.331 0.611 1.00 0.00 C ATOM 1543 C GLN A 97 2.511 -11.263 0.724 1.00 0.00 C ATOM 1544 O GLN A 97 3.549 -10.874 1.226 1.00 0.00 O ATOM 1545 CB GLN A 97 1.636 -9.160 -0.309 1.00 0.00 C ATOM 1546 CG GLN A 97 0.456 -8.189 -0.354 1.00 0.00 C ATOM 1547 CD GLN A 97 0.351 -7.569 -1.750 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.322 -7.517 -2.480 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.794 -7.093 -2.154 1.00 0.00 N ATOM 0 H GLN A 97 1.596 -9.046 2.271 1.00 0.00 H new ATOM 0 HA GLN A 97 0.451 -10.877 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.529 -8.647 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.858 -9.525 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.468 -8.712 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.588 -7.406 0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.609 -7.136 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.875 -6.677 -3.082 1.00 0.00 H new ATOM 1558 N LYS A 98 2.388 -12.493 0.287 1.00 0.00 N ATOM 1559 CA LYS A 98 3.546 -13.439 0.401 1.00 0.00 C ATOM 1560 C LYS A 98 3.878 -14.042 -0.966 1.00 0.00 C ATOM 1561 O LYS A 98 3.088 -13.985 -1.885 1.00 0.00 O ATOM 1562 CB LYS A 98 3.190 -14.563 1.378 1.00 0.00 C ATOM 1563 CG LYS A 98 1.850 -15.189 0.978 1.00 0.00 C ATOM 1564 CD LYS A 98 1.896 -16.700 1.220 1.00 0.00 C ATOM 1565 CE LYS A 98 0.522 -17.188 1.683 1.00 0.00 C ATOM 1566 NZ LYS A 98 0.402 -18.651 1.427 1.00 0.00 N ATOM 0 H LYS A 98 1.547 -12.881 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 98 4.415 -12.891 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.972 -15.322 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.131 -14.170 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.041 -14.742 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.641 -14.985 -0.072 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.187 -17.216 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.649 -16.935 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.390 -16.982 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.264 -16.650 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.532 -18.983 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.510 -18.835 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.144 -19.157 1.951 1.00 0.00 H new ATOM 1580 N LEU A 99 5.041 -14.636 -1.096 1.00 0.00 N ATOM 1581 CA LEU A 99 5.423 -15.267 -2.407 1.00 0.00 C ATOM 1582 C LEU A 99 5.169 -16.775 -2.347 1.00 0.00 C ATOM 1583 O LEU A 99 5.795 -17.546 -3.045 1.00 0.00 O ATOM 1584 CB LEU A 99 6.898 -15.001 -2.785 1.00 0.00 C ATOM 1585 CG LEU A 99 7.775 -14.842 -1.545 1.00 0.00 C ATOM 1586 CD1 LEU A 99 9.193 -15.332 -1.848 1.00 0.00 C ATOM 1587 CD2 LEU A 99 7.825 -13.363 -1.152 1.00 0.00 C ATOM 0 H LEU A 99 5.741 -14.713 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 99 4.804 -14.811 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.273 -15.824 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.961 -14.100 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 99 7.357 -15.430 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.815 -15.217 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.161 -16.383 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.614 -14.746 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.450 -13.243 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.244 -12.782 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.817 -13.010 -0.935 1.00 0.00 H new ATOM 1599 N LEU A 100 4.239 -17.193 -1.517 1.00 0.00 N ATOM 1600 CA LEU A 100 3.895 -18.648 -1.388 1.00 0.00 C ATOM 1601 C LEU A 100 5.037 -19.458 -0.743 1.00 0.00 C ATOM 1602 O LEU A 100 4.911 -20.654 -0.557 1.00 0.00 O ATOM 1603 CB LEU A 100 3.566 -19.239 -2.765 1.00 0.00 C ATOM 1604 CG LEU A 100 2.482 -18.394 -3.439 1.00 0.00 C ATOM 1605 CD1 LEU A 100 2.545 -18.587 -4.956 1.00 0.00 C ATOM 1606 CD2 LEU A 100 1.108 -18.830 -2.925 1.00 0.00 C ATOM 0 H LEU A 100 3.695 -16.576 -0.914 1.00 0.00 H new ATOM 0 HA LEU A 100 3.024 -18.716 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.462 -19.262 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.225 -20.269 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 100 2.644 -17.342 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.772 -17.984 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.524 -18.277 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.384 -19.638 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.334 -18.230 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.949 -19.882 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.062 -18.688 -1.845 1.00 0.00 H new ATOM 1618 N LYS A 101 6.142 -18.836 -0.399 1.00 0.00 N ATOM 1619 CA LYS A 101 7.271 -19.581 0.230 1.00 0.00 C ATOM 1620 C LYS A 101 8.097 -18.603 1.060 1.00 0.00 C ATOM 1621 O LYS A 101 8.427 -18.859 2.203 1.00 0.00 O ATOM 1622 CB LYS A 101 8.164 -20.190 -0.856 1.00 0.00 C ATOM 1623 CG LYS A 101 7.325 -21.048 -1.802 1.00 0.00 C ATOM 1624 CD LYS A 101 8.247 -21.762 -2.786 1.00 0.00 C ATOM 1625 CE LYS A 101 8.637 -23.130 -2.223 1.00 0.00 C ATOM 1626 NZ LYS A 101 9.713 -23.726 -3.065 1.00 0.00 N ATOM 0 H LYS A 101 6.307 -17.838 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 101 6.877 -20.379 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.662 -19.398 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.945 -20.797 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.746 -21.776 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.612 -20.424 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.747 -21.882 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.140 -21.163 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.981 -23.027 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.769 -23.788 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.978 -24.656 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.369 -23.838 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.544 -23.100 -3.061 1.00 0.00 H new ATOM 1640 N GLY A 102 8.428 -17.480 0.483 1.00 0.00 N ATOM 1641 CA GLY A 102 9.231 -16.458 1.210 1.00 0.00 C ATOM 1642 C GLY A 102 10.695 -16.890 1.263 1.00 0.00 C ATOM 1643 O GLY A 102 11.007 -18.046 1.477 1.00 0.00 O ATOM 0 H GLY A 102 8.173 -17.225 -0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.145 -15.493 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.844 -16.330 2.221 1.00 0.00 H new ATOM 1647 N GLU A 103 11.590 -15.959 1.080 1.00 0.00 N ATOM 1648 CA GLU A 103 13.043 -16.281 1.126 1.00 0.00 C ATOM 1649 C GLU A 103 13.703 -15.422 2.204 1.00 0.00 C ATOM 1650 O GLU A 103 14.512 -15.892 2.981 1.00 0.00 O ATOM 1651 CB GLU A 103 13.686 -15.999 -0.236 1.00 0.00 C ATOM 1652 CG GLU A 103 13.344 -14.577 -0.691 1.00 0.00 C ATOM 1653 CD GLU A 103 13.887 -14.351 -2.103 1.00 0.00 C ATOM 1654 OE1 GLU A 103 13.424 -15.023 -3.009 1.00 0.00 O ATOM 1655 OE2 GLU A 103 14.757 -13.509 -2.254 1.00 0.00 O ATOM 0 H GLU A 103 11.374 -14.979 0.899 1.00 0.00 H new ATOM 0 HA GLU A 103 13.179 -17.337 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.767 -16.118 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.331 -16.721 -0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.264 -14.429 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.775 -13.850 -0.003 1.00 0.00 H new ATOM 1662 N GLY A 104 13.345 -14.167 2.261 1.00 0.00 N ATOM 1663 CA GLY A 104 13.917 -13.258 3.288 1.00 0.00 C ATOM 1664 C GLY A 104 12.815 -12.293 3.756 1.00 0.00 C ATOM 1665 O GLY A 104 12.116 -12.591 4.704 1.00 0.00 O ATOM 0 H GLY A 104 12.672 -13.731 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 104 14.300 -13.833 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.757 -12.701 2.874 1.00 0.00 H new ATOM 1669 N PRO A 105 12.670 -11.165 3.080 1.00 0.00 N ATOM 1670 CA PRO A 105 11.638 -10.178 3.433 1.00 0.00 C ATOM 1671 C PRO A 105 10.291 -10.578 2.816 1.00 0.00 C ATOM 1672 O PRO A 105 10.090 -11.718 2.443 1.00 0.00 O ATOM 1673 CB PRO A 105 12.157 -8.880 2.818 1.00 0.00 C ATOM 1674 CG PRO A 105 13.126 -9.284 1.682 1.00 0.00 C ATOM 1675 CD PRO A 105 13.508 -10.757 1.925 1.00 0.00 C ATOM 0 HA PRO A 105 11.470 -10.094 4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.334 -8.279 2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.668 -8.274 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 105 12.652 -9.163 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.012 -8.649 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.304 -11.371 1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.570 -10.862 2.147 1.00 0.00 H new ATOM 1683 N LYS A 106 9.366 -9.652 2.717 1.00 0.00 N ATOM 1684 CA LYS A 106 8.033 -9.981 2.140 1.00 0.00 C ATOM 1685 C LYS A 106 7.251 -8.695 1.859 1.00 0.00 C ATOM 1686 O LYS A 106 7.639 -7.618 2.270 1.00 0.00 O ATOM 1687 CB LYS A 106 7.270 -10.823 3.153 1.00 0.00 C ATOM 1688 CG LYS A 106 6.537 -11.962 2.439 1.00 0.00 C ATOM 1689 CD LYS A 106 6.423 -13.168 3.378 1.00 0.00 C ATOM 1690 CE LYS A 106 7.813 -13.755 3.650 1.00 0.00 C ATOM 1691 NZ LYS A 106 8.129 -13.627 5.101 1.00 0.00 N ATOM 0 H LYS A 106 9.482 -8.683 3.013 1.00 0.00 H new ATOM 0 HA LYS A 106 8.159 -10.527 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.959 -11.230 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.555 -10.200 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.545 -11.633 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.075 -12.243 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 106 5.957 -12.866 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.780 -13.927 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.842 -14.803 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.563 -13.233 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.159 -13.665 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.766 -12.720 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.682 -14.407 5.624 1.00 0.00 H new ATOM 1705 N THR A 107 6.144 -8.811 1.172 1.00 0.00 N ATOM 1706 CA THR A 107 5.317 -7.615 0.860 1.00 0.00 C ATOM 1707 C THR A 107 4.061 -7.631 1.731 1.00 0.00 C ATOM 1708 O THR A 107 3.710 -8.641 2.307 1.00 0.00 O ATOM 1709 CB THR A 107 4.913 -7.664 -0.619 1.00 0.00 C ATOM 1710 OG1 THR A 107 4.737 -9.015 -1.022 1.00 0.00 O ATOM 1711 CG2 THR A 107 5.995 -7.025 -1.482 1.00 0.00 C ATOM 0 H THR A 107 5.777 -9.692 0.812 1.00 0.00 H new ATOM 0 HA THR A 107 5.885 -6.706 1.058 1.00 0.00 H new ATOM 0 HB THR A 107 3.980 -7.115 -0.745 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.477 -9.043 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.696 -7.066 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.131 -5.985 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.932 -7.566 -1.350 1.00 0.00 H new ATOM 1719 N SER A 108 3.384 -6.513 1.833 1.00 0.00 N ATOM 1720 CA SER A 108 2.141 -6.437 2.666 1.00 0.00 C ATOM 1721 C SER A 108 1.700 -4.975 2.757 1.00 0.00 C ATOM 1722 O SER A 108 2.433 -4.083 2.376 1.00 0.00 O ATOM 1723 CB SER A 108 2.424 -6.953 4.082 1.00 0.00 C ATOM 1724 OG SER A 108 3.746 -6.589 4.458 1.00 0.00 O ATOM 0 H SER A 108 3.641 -5.641 1.370 1.00 0.00 H new ATOM 0 HA SER A 108 1.362 -7.047 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.705 -6.533 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.309 -8.036 4.117 1.00 0.00 H new ATOM 0 HG SER A 108 3.930 -6.916 5.363 1.00 0.00 H new ATOM 1730 N TRP A 109 0.535 -4.713 3.302 1.00 0.00 N ATOM 1731 CA TRP A 109 0.095 -3.294 3.465 1.00 0.00 C ATOM 1732 C TRP A 109 -1.004 -3.208 4.491 1.00 0.00 C ATOM 1733 O TRP A 109 -1.855 -4.073 4.585 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.346 -2.629 2.140 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.614 -3.160 1.536 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.663 -3.758 0.327 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -3.006 -3.081 2.010 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.976 -4.064 0.022 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.842 -3.675 1.024 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.631 -2.576 3.178 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -5.227 -3.759 1.188 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -5.021 -2.667 3.337 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.813 -3.255 2.346 1.00 0.00 C ATOM 0 H TRP A 109 -0.124 -5.415 3.638 1.00 0.00 H new ATOM 0 HA TRP A 109 0.966 -2.735 3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.468 -1.560 2.314 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.457 -2.744 1.412 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.810 -3.965 -0.303 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -3.270 -4.522 -0.840 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.032 -2.118 3.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.839 -4.212 0.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.484 -2.280 4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.883 -3.318 2.479 1.00 0.00 H new ATOM 1754 N THR A 110 -0.983 -2.164 5.274 1.00 0.00 N ATOM 1755 CA THR A 110 -2.028 -2.001 6.317 1.00 0.00 C ATOM 1756 C THR A 110 -2.626 -0.604 6.246 1.00 0.00 C ATOM 1757 O THR A 110 -1.991 0.380 6.564 1.00 0.00 O ATOM 1758 CB THR A 110 -1.434 -2.231 7.701 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.602 -1.133 8.049 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.615 -3.521 7.705 1.00 0.00 C ATOM 0 H THR A 110 -0.287 -1.419 5.235 1.00 0.00 H new ATOM 0 HA THR A 110 -2.812 -2.737 6.138 1.00 0.00 H new ATOM 0 HB THR A 110 -2.240 -2.319 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.788 -0.379 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.192 -3.681 8.697 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.259 -4.361 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.191 -3.442 6.976 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.861 -0.530 5.854 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.557 0.787 5.768 1.00 0.00 C ATOM 1770 C ARG A 111 -5.157 1.085 7.133 1.00 0.00 C ATOM 1771 O ARG A 111 -5.891 0.288 7.657 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.668 0.705 4.714 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.058 0.789 3.315 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.153 0.604 2.263 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.598 -0.132 1.091 1.00 0.00 N ATOM 1776 CZ ARG A 111 -4.641 0.398 0.378 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -4.697 1.659 0.047 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -3.630 -0.333 -0.003 1.00 0.00 N ATOM 0 H ARG A 111 -4.429 -1.333 5.585 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.861 1.576 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.220 -0.228 4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.381 1.516 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.568 1.753 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.292 0.023 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.991 0.052 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.537 1.574 1.948 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.966 -1.051 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.488 2.230 0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.950 2.074 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.587 -1.319 0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.882 0.081 -0.560 1.00 0.00 H new ATOM 1792 N GLU A 112 -4.850 2.211 7.726 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.419 2.504 9.074 1.00 0.00 C ATOM 1794 C GLU A 112 -6.105 3.861 9.072 1.00 0.00 C ATOM 1795 O GLU A 112 -5.752 4.746 8.326 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.304 2.488 10.123 1.00 0.00 C ATOM 1797 CG GLU A 112 -4.916 2.612 11.522 1.00 0.00 C ATOM 1798 CD GLU A 112 -3.828 2.417 12.581 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -2.695 2.785 12.316 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.147 1.905 13.642 1.00 0.00 O ATOM 0 H GLU A 112 -4.238 2.931 7.341 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.155 1.738 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.731 1.564 10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.610 3.309 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.381 3.591 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.702 1.868 11.653 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.096 4.011 9.903 1.00 0.00 N ATOM 1808 CA LEU A 113 -7.849 5.289 9.980 1.00 0.00 C ATOM 1809 C LEU A 113 -7.502 5.993 11.294 1.00 0.00 C ATOM 1810 O LEU A 113 -6.932 5.397 12.189 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.344 4.950 9.948 1.00 0.00 C ATOM 1812 CG LEU A 113 -9.873 4.834 8.512 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.050 6.222 7.918 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -8.922 4.018 7.636 1.00 0.00 C ATOM 0 H LEU A 113 -7.421 3.287 10.544 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.594 5.946 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.515 4.011 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -9.903 5.720 10.480 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.834 4.320 8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.426 6.136 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.761 6.788 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.090 6.739 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.324 3.953 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.946 4.503 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.817 3.015 8.049 1.00 0.00 H new ATOM 1826 N THR A 114 -7.838 7.252 11.417 1.00 0.00 N ATOM 1827 CA THR A 114 -7.524 7.990 12.677 1.00 0.00 C ATOM 1828 C THR A 114 -8.493 9.161 12.846 1.00 0.00 C ATOM 1829 O THR A 114 -8.671 9.963 11.952 1.00 0.00 O ATOM 1830 CB THR A 114 -6.089 8.518 12.614 1.00 0.00 C ATOM 1831 OG1 THR A 114 -5.216 7.467 12.227 1.00 0.00 O ATOM 1832 CG2 THR A 114 -5.677 9.048 13.988 1.00 0.00 C ATOM 0 H THR A 114 -8.315 7.800 10.701 1.00 0.00 H new ATOM 0 HA THR A 114 -7.627 7.314 13.526 1.00 0.00 H new ATOM 0 HB THR A 114 -6.030 9.326 11.884 1.00 0.00 H new ATOM 0 HG1 THR A 114 -5.597 6.607 12.502 1.00 0.00 H new ATOM 0 HG21 THR A 114 -4.655 9.424 13.942 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.347 9.855 14.282 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.735 8.243 14.721 1.00 0.00 H new ATOM 1840 N ASN A 115 -9.118 9.257 13.993 1.00 0.00 N ATOM 1841 CA ASN A 115 -10.083 10.367 14.252 1.00 0.00 C ATOM 1842 C ASN A 115 -11.228 10.316 13.225 1.00 0.00 C ATOM 1843 O ASN A 115 -12.236 9.674 13.455 1.00 0.00 O ATOM 1844 CB ASN A 115 -9.349 11.714 14.184 1.00 0.00 C ATOM 1845 CG ASN A 115 -8.506 11.899 15.447 1.00 0.00 C ATOM 1846 OD1 ASN A 115 -7.396 11.410 15.527 1.00 0.00 O ATOM 1847 ND2 ASN A 115 -8.988 12.590 16.443 1.00 0.00 N ATOM 0 H ASN A 115 -8.999 8.606 14.769 1.00 0.00 H new ATOM 0 HA ASN A 115 -10.511 10.253 15.248 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.712 11.749 13.300 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -10.068 12.528 14.091 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.433 12.720 17.289 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.919 13.000 16.376 1.00 0.00 H new ATOM 1854 N ASP A 116 -11.088 10.980 12.101 1.00 0.00 N ATOM 1855 CA ASP A 116 -12.171 10.961 11.076 1.00 0.00 C ATOM 1856 C ASP A 116 -11.661 11.607 9.788 1.00 0.00 C ATOM 1857 O ASP A 116 -12.402 12.259 9.076 1.00 0.00 O ATOM 1858 CB ASP A 116 -13.375 11.747 11.593 1.00 0.00 C ATOM 1859 CG ASP A 116 -14.662 11.145 11.026 1.00 0.00 C ATOM 1860 OD1 ASP A 116 -14.706 10.911 9.829 1.00 0.00 O ATOM 1861 OD2 ASP A 116 -15.581 10.927 11.798 1.00 0.00 O ATOM 0 H ASP A 116 -10.268 11.534 11.853 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.466 9.931 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.399 11.721 12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.292 12.794 11.301 1.00 0.00 H new ATOM 1866 N GLY A 117 -10.400 11.431 9.487 1.00 0.00 N ATOM 1867 CA GLY A 117 -9.834 12.035 8.243 1.00 0.00 C ATOM 1868 C GLY A 117 -8.308 11.971 8.280 1.00 0.00 C ATOM 1869 O GLY A 117 -7.627 12.900 7.892 1.00 0.00 O ATOM 0 H GLY A 117 -9.738 10.895 10.048 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.208 11.503 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.161 13.071 8.150 1.00 0.00 H new ATOM 1873 N GLU A 118 -7.773 10.874 8.733 1.00 0.00 N ATOM 1874 CA GLU A 118 -6.292 10.717 8.788 1.00 0.00 C ATOM 1875 C GLU A 118 -5.965 9.253 8.496 1.00 0.00 C ATOM 1876 O GLU A 118 -5.625 8.488 9.379 1.00 0.00 O ATOM 1877 CB GLU A 118 -5.779 11.103 10.177 1.00 0.00 C ATOM 1878 CG GLU A 118 -5.338 12.567 10.171 1.00 0.00 C ATOM 1879 CD GLU A 118 -4.739 12.927 11.532 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -4.085 12.077 12.113 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -4.946 14.047 11.971 1.00 0.00 O ATOM 0 H GLU A 118 -8.303 10.071 9.071 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.812 11.365 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.562 10.951 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.944 10.462 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.603 12.733 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.189 13.213 9.954 1.00 0.00 H new ATOM 1888 N LEU A 119 -6.107 8.860 7.261 1.00 0.00 N ATOM 1889 CA LEU A 119 -5.855 7.444 6.874 1.00 0.00 C ATOM 1890 C LEU A 119 -4.361 7.203 6.617 1.00 0.00 C ATOM 1891 O LEU A 119 -3.836 7.581 5.592 1.00 0.00 O ATOM 1892 CB LEU A 119 -6.652 7.157 5.598 1.00 0.00 C ATOM 1893 CG LEU A 119 -6.794 5.648 5.384 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.195 5.332 4.852 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -5.754 5.181 4.368 1.00 0.00 C ATOM 0 H LEU A 119 -6.391 9.468 6.493 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.165 6.782 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.639 7.615 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.151 7.607 4.740 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.641 5.133 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.293 4.257 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.942 5.667 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.349 5.847 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.853 4.107 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.911 5.699 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.755 5.403 4.742 1.00 0.00 H new ATOM 1907 N ILE A 120 -3.677 6.553 7.527 1.00 0.00 N ATOM 1908 CA ILE A 120 -2.222 6.269 7.305 1.00 0.00 C ATOM 1909 C ILE A 120 -2.100 4.886 6.666 1.00 0.00 C ATOM 1910 O ILE A 120 -2.386 3.881 7.279 1.00 0.00 O ATOM 1911 CB ILE A 120 -1.464 6.337 8.635 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -1.975 5.263 9.600 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -1.692 7.712 9.252 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.010 4.075 9.599 1.00 0.00 C ATOM 0 H ILE A 120 -4.058 6.208 8.408 1.00 0.00 H new ATOM 0 HA ILE A 120 -1.782 7.014 6.641 1.00 0.00 H new ATOM 0 HB ILE A 120 -0.403 6.167 8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.061 5.674 10.606 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -2.971 4.936 9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.159 7.778 10.201 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -1.322 8.481 8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -2.758 7.862 9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.373 3.310 10.286 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -0.946 3.659 8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.022 4.408 9.917 1.00 0.00 H new ATOM 1926 N LEU A 121 -1.722 4.838 5.420 1.00 0.00 N ATOM 1927 CA LEU A 121 -1.637 3.536 4.707 1.00 0.00 C ATOM 1928 C LEU A 121 -0.170 3.139 4.458 1.00 0.00 C ATOM 1929 O LEU A 121 0.575 3.818 3.778 1.00 0.00 O ATOM 1930 CB LEU A 121 -2.437 3.683 3.390 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.225 2.513 2.409 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -0.951 2.752 1.604 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.110 1.179 3.144 1.00 0.00 C ATOM 0 H LEU A 121 -1.466 5.652 4.861 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.064 2.733 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.498 3.762 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.149 4.614 2.901 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.091 2.466 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.799 1.926 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.043 3.683 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.100 2.818 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.961 0.377 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.262 1.213 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.024 0.994 3.708 1.00 0.00 H new ATOM 1945 N THR A 122 0.225 2.019 5.016 1.00 0.00 N ATOM 1946 CA THR A 122 1.617 1.500 4.852 1.00 0.00 C ATOM 1947 C THR A 122 1.608 0.372 3.820 1.00 0.00 C ATOM 1948 O THR A 122 0.600 -0.248 3.587 1.00 0.00 O ATOM 1949 CB THR A 122 2.084 0.914 6.177 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.933 1.878 7.210 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.547 0.492 6.070 1.00 0.00 C ATOM 0 H THR A 122 -0.376 1.430 5.592 1.00 0.00 H new ATOM 0 HA THR A 122 2.275 2.309 4.534 1.00 0.00 H new ATOM 0 HB THR A 122 1.478 0.040 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.233 1.495 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.875 0.073 7.021 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.653 -0.259 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.159 1.360 5.825 1.00 0.00 H new ATOM 1959 N MET A 123 2.731 0.075 3.235 1.00 0.00 N ATOM 1960 CA MET A 123 2.787 -1.044 2.245 1.00 0.00 C ATOM 1961 C MET A 123 4.223 -1.532 2.124 1.00 0.00 C ATOM 1962 O MET A 123 5.006 -1.013 1.352 1.00 0.00 O ATOM 1963 CB MET A 123 2.280 -0.579 0.888 1.00 0.00 C ATOM 1964 CG MET A 123 2.183 -1.790 -0.053 1.00 0.00 C ATOM 1965 SD MET A 123 3.577 -1.798 -1.207 1.00 0.00 S ATOM 1966 CE MET A 123 3.264 -0.170 -1.922 1.00 0.00 C ATOM 0 H MET A 123 3.616 0.556 3.396 1.00 0.00 H new ATOM 0 HA MET A 123 2.150 -1.859 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.304 -0.105 0.993 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.954 0.169 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.177 -2.712 0.528 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.244 -1.756 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 123 3.495 -0.190 -2.987 1.00 0.00 H new ATOM 0 HE2 MET A 123 2.215 0.093 -1.783 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.893 0.571 -1.429 1.00 0.00 H new ATOM 1976 N THR A 124 4.573 -2.518 2.900 1.00 0.00 N ATOM 1977 CA THR A 124 5.971 -3.042 2.870 1.00 0.00 C ATOM 1978 C THR A 124 6.235 -3.789 1.579 1.00 0.00 C ATOM 1979 O THR A 124 5.336 -4.078 0.811 1.00 0.00 O ATOM 1980 CB THR A 124 6.256 -3.979 4.066 1.00 0.00 C ATOM 1981 OG1 THR A 124 5.944 -5.327 3.729 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.440 -3.576 5.297 1.00 0.00 C ATOM 0 H THR A 124 3.950 -2.987 3.557 1.00 0.00 H new ATOM 0 HA THR A 124 6.636 -2.181 2.937 1.00 0.00 H new ATOM 0 HB THR A 124 7.317 -3.892 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.076 -5.568 4.115 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.664 -4.255 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.698 -2.557 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.377 -3.629 5.062 1.00 0.00 H new ATOM 1990 N ALA A 125 7.480 -4.108 1.347 1.00 0.00 N ATOM 1991 CA ALA A 125 7.833 -4.850 0.105 1.00 0.00 C ATOM 1992 C ALA A 125 9.314 -5.220 0.063 1.00 0.00 C ATOM 1993 O ALA A 125 10.160 -4.407 -0.247 1.00 0.00 O ATOM 1994 CB ALA A 125 7.506 -3.993 -1.111 1.00 0.00 C ATOM 0 H ALA A 125 8.264 -3.888 1.961 1.00 0.00 H new ATOM 0 HA ALA A 125 7.250 -5.771 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.765 -4.537 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.441 -3.762 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.078 -3.066 -1.067 1.00 0.00 H new ATOM 2000 N ASP A 126 9.634 -6.459 0.329 1.00 0.00 N ATOM 2001 CA ASP A 126 11.066 -6.891 0.277 1.00 0.00 C ATOM 2002 C ASP A 126 11.859 -6.165 1.367 1.00 0.00 C ATOM 2003 O ASP A 126 13.027 -5.873 1.200 1.00 0.00 O ATOM 2004 CB ASP A 126 11.662 -6.557 -1.095 1.00 0.00 C ATOM 2005 CG ASP A 126 12.511 -7.729 -1.594 1.00 0.00 C ATOM 2006 OD1 ASP A 126 13.608 -7.897 -1.088 1.00 0.00 O ATOM 2007 OD2 ASP A 126 12.050 -8.436 -2.474 1.00 0.00 O ATOM 0 H ASP A 126 8.969 -7.191 0.580 1.00 0.00 H new ATOM 0 HA ASP A 126 11.121 -7.967 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 126 10.864 -6.346 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.273 -5.657 -1.026 1.00 0.00 H new ATOM 2012 N ASP A 127 11.207 -5.885 2.475 1.00 0.00 N ATOM 2013 CA ASP A 127 11.833 -5.184 3.659 1.00 0.00 C ATOM 2014 C ASP A 127 11.595 -3.675 3.582 1.00 0.00 C ATOM 2015 O ASP A 127 11.845 -2.966 4.540 1.00 0.00 O ATOM 2016 CB ASP A 127 13.342 -5.456 3.773 1.00 0.00 C ATOM 2017 CG ASP A 127 13.832 -5.051 5.164 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.341 -5.611 6.130 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.691 -4.188 5.240 1.00 0.00 O ATOM 0 H ASP A 127 10.225 -6.122 2.616 1.00 0.00 H new ATOM 0 HA ASP A 127 11.351 -5.589 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.546 -6.512 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.882 -4.896 3.009 1.00 0.00 H new ATOM 2024 N VAL A 128 11.098 -3.172 2.476 1.00 0.00 N ATOM 2025 CA VAL A 128 10.835 -1.717 2.387 1.00 0.00 C ATOM 2026 C VAL A 128 9.502 -1.438 3.078 1.00 0.00 C ATOM 2027 O VAL A 128 8.800 -2.349 3.463 1.00 0.00 O ATOM 2028 CB VAL A 128 10.771 -1.291 0.905 1.00 0.00 C ATOM 2029 CG1 VAL A 128 11.993 -1.822 0.151 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.507 -1.840 0.240 1.00 0.00 C ATOM 0 H VAL A 128 10.867 -3.710 1.641 1.00 0.00 H new ATOM 0 HA VAL A 128 11.631 -1.151 2.871 1.00 0.00 H new ATOM 0 HB VAL A 128 10.756 -0.202 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 128 11.937 -1.516 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.901 -1.419 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.012 -2.910 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.481 -1.529 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.511 -2.929 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.628 -1.454 0.756 1.00 0.00 H new ATOM 2040 N VAL A 129 9.147 -0.197 3.213 1.00 0.00 N ATOM 2041 CA VAL A 129 7.848 0.146 3.847 1.00 0.00 C ATOM 2042 C VAL A 129 7.410 1.529 3.368 1.00 0.00 C ATOM 2043 O VAL A 129 7.998 2.538 3.703 1.00 0.00 O ATOM 2044 CB VAL A 129 7.979 0.042 5.387 1.00 0.00 C ATOM 2045 CG1 VAL A 129 7.214 1.169 6.118 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.419 -1.319 5.832 1.00 0.00 C ATOM 0 H VAL A 129 9.704 0.602 2.910 1.00 0.00 H new ATOM 0 HA VAL A 129 7.069 -0.558 3.553 1.00 0.00 H new ATOM 0 HB VAL A 129 9.033 0.141 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.336 1.053 7.195 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.610 2.137 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.155 1.113 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.503 -1.410 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.371 -1.394 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 129 7.986 -2.119 5.355 1.00 0.00 H new ATOM 2056 N CYS A 130 6.364 1.558 2.596 1.00 0.00 N ATOM 2057 CA CYS A 130 5.837 2.852 2.078 1.00 0.00 C ATOM 2058 C CYS A 130 4.776 3.371 3.045 1.00 0.00 C ATOM 2059 O CYS A 130 3.610 3.043 2.932 1.00 0.00 O ATOM 2060 CB CYS A 130 5.212 2.636 0.698 1.00 0.00 C ATOM 2061 SG CYS A 130 5.273 4.182 -0.242 1.00 0.00 S ATOM 0 H CYS A 130 5.844 0.733 2.297 1.00 0.00 H new ATOM 0 HA CYS A 130 6.648 3.576 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.748 1.852 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 130 4.180 2.302 0.803 1.00 0.00 H new ATOM 0 HG CYS A 130 4.744 3.998 -1.415 1.00 0.00 H new ATOM 2067 N THR A 131 5.176 4.166 4.005 1.00 0.00 N ATOM 2068 CA THR A 131 4.201 4.700 4.999 1.00 0.00 C ATOM 2069 C THR A 131 3.933 6.179 4.734 1.00 0.00 C ATOM 2070 O THR A 131 4.822 7.005 4.814 1.00 0.00 O ATOM 2071 CB THR A 131 4.778 4.547 6.408 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.647 3.423 6.444 1.00 0.00 O ATOM 2073 CG2 THR A 131 3.640 4.348 7.411 1.00 0.00 C ATOM 0 H THR A 131 6.140 4.468 4.142 1.00 0.00 H new ATOM 0 HA THR A 131 3.268 4.143 4.911 1.00 0.00 H new ATOM 0 HB THR A 131 5.336 5.446 6.671 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.018 3.325 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.054 4.239 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.976 5.212 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 131 3.079 3.451 7.151 1.00 0.00 H new ATOM 2081 N ARG A 132 2.707 6.517 4.439 1.00 0.00 N ATOM 2082 CA ARG A 132 2.356 7.949 4.190 1.00 0.00 C ATOM 2083 C ARG A 132 0.955 8.210 4.732 1.00 0.00 C ATOM 2084 O ARG A 132 0.068 7.387 4.605 1.00 0.00 O ATOM 2085 CB ARG A 132 2.411 8.288 2.688 1.00 0.00 C ATOM 2086 CG ARG A 132 2.006 7.085 1.833 1.00 0.00 C ATOM 2087 CD ARG A 132 2.004 7.492 0.361 1.00 0.00 C ATOM 2088 NE ARG A 132 2.136 6.277 -0.493 1.00 0.00 N ATOM 2089 CZ ARG A 132 2.949 6.281 -1.513 1.00 0.00 C ATOM 2090 NH1 ARG A 132 4.150 6.776 -1.389 1.00 0.00 N ATOM 2091 NH2 ARG A 132 2.562 5.790 -2.658 1.00 0.00 N ATOM 0 H ARG A 132 1.929 5.862 4.359 1.00 0.00 H new ATOM 0 HA ARG A 132 3.083 8.584 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.747 9.127 2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 132 3.419 8.604 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.700 6.260 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 132 1.017 6.732 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 132 1.081 8.020 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.826 8.180 0.162 1.00 0.00 H new ATOM 0 HE ARG A 132 1.590 5.442 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 132 4.453 7.160 -0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.785 6.779 -2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.623 5.403 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 132 3.198 5.793 -3.455 1.00 0.00 H new ATOM 2105 N VAL A 133 0.758 9.343 5.350 1.00 0.00 N ATOM 2106 CA VAL A 133 -0.578 9.663 5.922 1.00 0.00 C ATOM 2107 C VAL A 133 -1.492 10.192 4.822 1.00 0.00 C ATOM 2108 O VAL A 133 -1.046 10.697 3.817 1.00 0.00 O ATOM 2109 CB VAL A 133 -0.414 10.725 7.022 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -1.786 11.183 7.529 1.00 0.00 C ATOM 2111 CG2 VAL A 133 0.382 10.128 8.186 1.00 0.00 C ATOM 0 H VAL A 133 1.469 10.062 5.483 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.021 8.763 6.349 1.00 0.00 H new ATOM 0 HB VAL A 133 0.116 11.584 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.654 11.935 8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.355 11.611 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.327 10.329 7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 133 0.501 10.878 8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.151 9.266 8.587 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.364 9.814 7.832 1.00 0.00 H new ATOM 2121 N TYR A 134 -2.772 10.091 5.035 1.00 0.00 N ATOM 2122 CA TYR A 134 -3.746 10.602 4.042 1.00 0.00 C ATOM 2123 C TYR A 134 -4.831 11.374 4.777 1.00 0.00 C ATOM 2124 O TYR A 134 -4.948 11.304 5.986 1.00 0.00 O ATOM 2125 CB TYR A 134 -4.441 9.455 3.329 1.00 0.00 C ATOM 2126 CG TYR A 134 -3.505 8.769 2.383 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -2.487 7.959 2.883 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -3.671 8.924 1.005 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -1.629 7.303 2.006 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -2.811 8.271 0.123 1.00 0.00 C ATOM 2131 CZ TYR A 134 -1.786 7.457 0.622 1.00 0.00 C ATOM 2132 OH TYR A 134 -0.934 6.805 -0.247 1.00 0.00 O ATOM 0 H TYR A 134 -3.187 9.670 5.866 1.00 0.00 H new ATOM 0 HA TYR A 134 -3.208 11.223 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -4.814 8.739 4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -5.306 9.832 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -2.364 7.841 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -4.465 9.549 0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -0.841 6.674 2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -2.935 8.393 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.182 7.019 -1.171 1.00 0.00 H new ATOM 2142 N VAL A 135 -5.657 12.061 4.047 1.00 0.00 N ATOM 2143 CA VAL A 135 -6.783 12.793 4.665 1.00 0.00 C ATOM 2144 C VAL A 135 -7.973 12.631 3.743 1.00 0.00 C ATOM 2145 O VAL A 135 -7.809 12.306 2.588 1.00 0.00 O ATOM 2146 CB VAL A 135 -6.449 14.258 4.816 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -7.605 14.954 5.518 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -5.186 14.395 5.653 1.00 0.00 C ATOM 0 H VAL A 135 -5.596 12.146 3.032 1.00 0.00 H new ATOM 0 HA VAL A 135 -6.994 12.398 5.659 1.00 0.00 H new ATOM 0 HB VAL A 135 -6.287 14.711 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -7.376 16.013 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -8.512 14.841 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.757 14.507 6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -4.938 15.450 5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -5.351 13.953 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.363 13.880 5.157 1.00 0.00 H new ATOM 2158 N ARG A 136 -9.160 12.837 4.219 1.00 0.00 N ATOM 2159 CA ARG A 136 -10.321 12.658 3.307 1.00 0.00 C ATOM 2160 C ARG A 136 -10.559 13.946 2.531 1.00 0.00 C ATOM 2161 O ARG A 136 -10.874 14.978 3.090 1.00 0.00 O ATOM 2162 CB ARG A 136 -11.591 12.267 4.065 1.00 0.00 C ATOM 2163 CG ARG A 136 -11.875 10.777 3.855 1.00 0.00 C ATOM 2164 CD ARG A 136 -12.458 10.178 5.137 1.00 0.00 C ATOM 2165 NE ARG A 136 -13.743 10.857 5.463 1.00 0.00 N ATOM 2166 CZ ARG A 136 -14.878 10.293 5.149 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -15.203 10.136 3.895 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -15.687 9.887 6.089 1.00 0.00 N ATOM 0 H ARG A 136 -9.379 13.115 5.176 1.00 0.00 H new ATOM 0 HA ARG A 136 -10.085 11.844 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -11.472 12.479 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -12.434 12.862 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -12.573 10.643 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -10.957 10.256 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -12.622 9.108 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -11.753 10.296 5.960 1.00 0.00 H new ATOM 0 HE ARG A 136 -13.736 11.763 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -14.571 10.454 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -16.090 9.695 3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -15.433 10.010 7.069 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -16.574 9.446 5.844 1.00 0.00 H new ATOM 2182 N GLU A 137 -10.403 13.875 1.240 1.00 0.00 N ATOM 2183 CA GLU A 137 -10.606 15.071 0.359 1.00 0.00 C ATOM 2184 C GLU A 137 -11.908 15.804 0.719 1.00 0.00 C ATOM 2185 O GLU A 137 -11.983 16.996 0.468 1.00 0.00 O ATOM 2186 CB GLU A 137 -10.691 14.611 -1.096 1.00 0.00 C ATOM 2187 CG GLU A 137 -10.488 15.812 -2.021 1.00 0.00 C ATOM 2188 CD GLU A 137 -10.581 15.358 -3.478 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -11.453 14.557 -3.774 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -9.779 15.818 -4.274 1.00 0.00 O ATOM 2191 OXT GLU A 137 -12.804 15.159 1.238 1.00 0.00 O ATOM 0 H GLU A 137 -10.138 13.024 0.743 1.00 0.00 H new ATOM 0 HA GLU A 137 -9.766 15.751 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -9.933 13.853 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -11.660 14.150 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -11.242 16.572 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -9.516 16.269 -1.833 1.00 0.00 H new TER 2198 GLU A 137